source: gsas/all/data/cif_core_2.2.dic_index @ 938

Last change on this file since 938 was 938, checked in by toby, 12 years ago

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1set CIF_file_name cif_core_2.2.dic
2set CIF_file_size 399651
3set CIF_index_version 1.1
4set CIF_file_mtime 1021461480
5array set CIF_dataname_index {
6        _atom_site_[]   {{cif_core_2.2.dic 28610 270} {{} {} {} 0 {} category_overview 0}}
7        _atom_site_adp_type     {{cif_core_2.2.dic 29667 126} {c {} {{Uani {anisotropic Uij]}} {Uiso {isotropic U]}} {Uovl {overall U]}} {Umpe {multipole expansion U]}} {Bani {anisotropic Bij]}} {Biso {isotropic B]}} {Bovl {overall B]}}} 0 {} atom_site 1}}
8        _atom_site_aniso_b_11   {{cif_core_2.2.dic 30562 659} {n {} {} 1 A^2^ atom_site 1}}
9        _atom_site_aniso_b_12   {{cif_core_2.2.dic 30562 659} {n {} {} 1 A^2^ atom_site 1}}
10        _atom_site_aniso_b_13   {{cif_core_2.2.dic 30562 659} {n {} {} 1 A^2^ atom_site 1}}
11        _atom_site_aniso_b_22   {{cif_core_2.2.dic 30562 659} {n {} {} 1 A^2^ atom_site 1}}
12        _atom_site_aniso_b_23   {{cif_core_2.2.dic 30562 659} {n {} {} 1 A^2^ atom_site 1}}
13        _atom_site_aniso_b_33   {{cif_core_2.2.dic 30562 659} {n {} {} 1 A^2^ atom_site 1}}
14        _atom_site_aniso_label  {{cif_core_2.2.dic 31527 308} {c {} {} 0 {} atom_site 1}}
15        _atom_site_aniso_ratio  {{cif_core_2.2.dic 32148 116} {n 1.0: {} 0 {} atom_site 1}}
16        _atom_site_aniso_type_symbol    {{cif_core_2.2.dic 32607 224} {c {} {} 0 {} atom_site 1}}
17        _atom_site_aniso_u_11   {{cif_core_2.2.dic 33599 450} {n {} {} 1 A^2^ atom_site 1}}
18        _atom_site_aniso_u_12   {{cif_core_2.2.dic 33599 450} {n {} {} 1 A^2^ atom_site 1}}
19        _atom_site_aniso_u_13   {{cif_core_2.2.dic 33599 450} {n {} {} 1 A^2^ atom_site 1}}
20        _atom_site_aniso_u_22   {{cif_core_2.2.dic 33599 450} {n {} {} 1 A^2^ atom_site 1}}
21        _atom_site_aniso_u_23   {{cif_core_2.2.dic 33599 450} {n {} {} 1 A^2^ atom_site 1}}
22        _atom_site_aniso_u_33   {{cif_core_2.2.dic 33599 450} {n {} {} 1 A^2^ atom_site 1}}
23        _atom_site_attached_hydrogens   {{cif_core_2.2.dic 34590 189} {n 0:8 {} 0 {} atom_site 1}}
24        _atom_site_b_equiv_geom_mean    {{cif_core_2.2.dic 35395 551} {n 0.0: {} 1 A^2^ atom_site 1}}
25        _atom_site_b_iso_or_equiv       {{cif_core_2.2.dic 36556 773} {n 0.0: {} 1 A^2^ atom_site 1}}
26        _atom_site_calc_attached_atom   {{cif_core_2.2.dic 37648 128} {c {} {} 0 {} atom_site 1}}
27        _atom_site_calc_flag    {{cif_core_2.2.dic 38398 301} {c {} {{d {determined from diffraction measurements]}} {calc {calculated from molecular geometry]}} {c {abbreviation for "calc"]}} {dum {dummy site with meaningless coordinates]}}} 0 {} atom_site 1}}
28        _atom_site_cartn_x      {{cif_core_2.2.dic 39272 234} {n {} {} 1 A atom_site 1}}
29        _atom_site_cartn_y      {{cif_core_2.2.dic 39272 234} {n {} {} 1 A atom_site 1}}
30        _atom_site_cartn_z      {{cif_core_2.2.dic 39272 234} {n {} {} 1 A atom_site 1}}
31        _atom_site_chemical_conn_number         {{cif_core_2.2.dic 39889 161} {n 1: {} 0 {} atom_site 1}}
32        _atom_site_constraints  {{cif_core_2.2.dic 40406 205} {c {} {} 0 {} atom_site 1}}
33        _atom_site_description  {{cif_core_2.2.dic 40931 116} {c {} {} 0 {} atom_site 1}}
34        _atom_site_disorder_assembly    {{cif_core_2.2.dic 41571 438} {c {} {} 0 {} atom_site 1}}
35        _atom_site_disorder_group       {{cif_core_2.2.dic 42510 604} {c {} {} 0 {} atom_site 1}}
36        _atom_site_fract_x      {{cif_core_2.2.dic 43646 80} {n {} {} 1 {} atom_site 1}}
37        _atom_site_fract_y      {{cif_core_2.2.dic 43646 80} {n {} {} 1 {} atom_site 1}}
38        _atom_site_fract_z      {{cif_core_2.2.dic 43646 80} {n {} {} 1 {} atom_site 1}}
39        _atom_site_label        {{cif_core_2.2.dic 45060 1313} {c {} {} 0 {} atom_site 1}}
40        _atom_site_label_component_0    {{cif_core_2.2.dic 47025 1038} {c {} {} 0 {} atom_site 1}}
41        _atom_site_label_component_1    {{cif_core_2.2.dic 47025 1038} {c {} {} 0 {} atom_site 1}}
42        _atom_site_label_component_2    {{cif_core_2.2.dic 47025 1038} {c {} {} 0 {} atom_site 1}}
43        _atom_site_label_component_3    {{cif_core_2.2.dic 47025 1038} {c {} {} 0 {} atom_site 1}}
44        _atom_site_label_component_4    {{cif_core_2.2.dic 47025 1038} {c {} {} 0 {} atom_site 1}}
45        _atom_site_label_component_5    {{cif_core_2.2.dic 47025 1038} {c {} {} 0 {} atom_site 1}}
46        _atom_site_label_component_6    {{cif_core_2.2.dic 47025 1038} {c {} {} 0 {} atom_site 1}}
47        _atom_site_occupancy    {{cif_core_2.2.dic 48443 453} {n 0.0:1.0 {} 1 {} atom_site 1}}
48        _atom_site_refinement_flags     {{cif_core_2.2.dic 49757 154} {c {} {{. {no refinement constraints]}} {S {special position constraint on site]}} {G {rigid group refinement of site]}} {R {riding-atom site attached to non-riding atom]}} {D {distance or angle restraint on site]}} {T {thermal displacement constraints]}} {U {Uiso or Uij restraint (rigid bond)]}} {P {partial occupancy constraint]}}} 0 {} atom_site 1}}
49        _atom_site_restraints   {{cif_core_2.2.dic 50238 208} {c {} {} 0 {} atom_site 1}}
50        _atom_site_symmetry_multiplicity        {{cif_core_2.2.dic 50774 162} {n 1:192 {} 0 {} atom_site 1}}
51        _atom_site_thermal_displace_type        {{cif_core_2.2.dic 51734 126} {c {} {{Uani {anisotropic Uij]}} {Uiso {isotropic U]}} {Uovl {overall U]}} {Umpe {multipole expansion U]}} {Bani {anisotropic Bij]}} {Biso {isotropic B]}} {Bovl {overall B]}}} 0 {} atom_site 1}}
52        _atom_site_type_symbol  {{cif_core_2.2.dic 52356 307} {c {} {} 0 {} atom_site 1}}
53        _atom_site_u_equiv_geom_mean    {{cif_core_2.2.dic 53279 340} {n 0.0: {} 1 A^2^ atom_site 1}}
54        _atom_site_u_iso_or_equiv       {{cif_core_2.2.dic 54229 528} {n 0.0: {} 1 A^2^ atom_site 1}}
55        _atom_site_wyckoff_symbol       {{cif_core_2.2.dic 55032 156} {c {} {} 0 {} atom_site 1}}
56        _atom_sites_[]  {{cif_core_2.2.dic 56251 193} {{} {} {} 0 {} category_overview 0}}
57        _atom_sites_cartn_tran_matrix_11        {{cif_core_2.2.dic 57173 587} {n {} {} 0 {} atom_sites 0}}
58        _atom_sites_cartn_tran_matrix_12        {{cif_core_2.2.dic 57173 587} {n {} {} 0 {} atom_sites 0}}
59        _atom_sites_cartn_tran_matrix_13        {{cif_core_2.2.dic 57173 587} {n {} {} 0 {} atom_sites 0}}
60        _atom_sites_cartn_tran_matrix_21        {{cif_core_2.2.dic 57173 587} {n {} {} 0 {} atom_sites 0}}
61        _atom_sites_cartn_tran_matrix_22        {{cif_core_2.2.dic 57173 587} {n {} {} 0 {} atom_sites 0}}
62        _atom_sites_cartn_tran_matrix_23        {{cif_core_2.2.dic 57173 587} {n {} {} 0 {} atom_sites 0}}
63        _atom_sites_cartn_tran_matrix_31        {{cif_core_2.2.dic 57173 587} {n {} {} 0 {} atom_sites 0}}
64        _atom_sites_cartn_tran_matrix_32        {{cif_core_2.2.dic 57173 587} {n {} {} 0 {} atom_sites 0}}
65        _atom_sites_cartn_tran_matrix_33        {{cif_core_2.2.dic 57173 587} {n {} {} 0 {} atom_sites 0}}
66        _atom_sites_cartn_transform_axes        {{cif_core_2.2.dic 58038 217} {c {} {} 0 {} atom_sites 0}}
67        _atom_sites_cartn_tran_vector_1         {{cif_core_2.2.dic 58585 554} {n {} {} 0 {} atom_sites 0}}
68        _atom_sites_cartn_tran_vector_2         {{cif_core_2.2.dic 58585 554} {n {} {} 0 {} atom_sites 0}}
69        _atom_sites_cartn_tran_vector_3         {{cif_core_2.2.dic 58585 554} {n {} {} 0 {} atom_sites 0}}
70        _atom_sites_fract_tran_matrix_11        {{cif_core_2.2.dic 59877 583} {n {} {} 0 {} atom_sites 0}}
71        _atom_sites_fract_tran_matrix_12        {{cif_core_2.2.dic 59877 583} {n {} {} 0 {} atom_sites 0}}
72        _atom_sites_fract_tran_matrix_13        {{cif_core_2.2.dic 59877 583} {n {} {} 0 {} atom_sites 0}}
73        _atom_sites_fract_tran_matrix_21        {{cif_core_2.2.dic 59877 583} {n {} {} 0 {} atom_sites 0}}
74        _atom_sites_fract_tran_matrix_22        {{cif_core_2.2.dic 59877 583} {n {} {} 0 {} atom_sites 0}}
75        _atom_sites_fract_tran_matrix_23        {{cif_core_2.2.dic 59877 583} {n {} {} 0 {} atom_sites 0}}
76        _atom_sites_fract_tran_matrix_31        {{cif_core_2.2.dic 59877 583} {n {} {} 0 {} atom_sites 0}}
77        _atom_sites_fract_tran_matrix_32        {{cif_core_2.2.dic 59877 583} {n {} {} 0 {} atom_sites 0}}
78        _atom_sites_fract_tran_matrix_33        {{cif_core_2.2.dic 59877 583} {n {} {} 0 {} atom_sites 0}}
79        _atom_sites_fract_tran_vector_1         {{cif_core_2.2.dic 60790 551} {n {} {} 0 {} atom_sites 0}}
80        _atom_sites_fract_tran_vector_2         {{cif_core_2.2.dic 60790 551} {n {} {} 0 {} atom_sites 0}}
81        _atom_sites_fract_tran_vector_3         {{cif_core_2.2.dic 60790 551} {n {} {} 0 {} atom_sites 0}}
82        _atom_sites_solution_primary    {{cif_core_2.2.dic 62177 373} {c {} {{difmap {difference Fourier map]}} {vecmap {real-space vector search]}} {heavy {heavy-atom method]}} {direct {structure-invariant direct methods]}} {geom {inferred from neighbouring sites]}} {disper {anomalous-dispersion techniques]}} {isomor {isomorphous structure methods]}}} 0 {} atom_sites 0}}
83        _atom_sites_solution_secondary  {{cif_core_2.2.dic 62177 373} {c {} {{difmap {difference Fourier map]}} {vecmap {real-space vector search]}} {heavy {heavy-atom method]}} {direct {structure-invariant direct methods]}} {geom {inferred from neighbouring sites]}} {disper {anomalous-dispersion techniques]}} {isomor {isomorphous structure methods]}}} 0 {} atom_sites 0}}
84        _atom_sites_solution_hydrogens  {{cif_core_2.2.dic 62177 373} {c {} {{difmap {difference Fourier map]}} {vecmap {real-space vector search]}} {heavy {heavy-atom method]}} {direct {structure-invariant direct methods]}} {geom {inferred from neighbouring sites]}} {disper {anomalous-dispersion techniques]}} {isomor {isomorphous structure methods]}}} 0 {} atom_sites 0}}
85        _atom_type_[]   {{cif_core_2.2.dic 63565 195} {{} {} {} 0 {} category_overview 0}}
86        _atom_type_analytical_mass_%    {{cif_core_2.2.dic 64085 82} {n 0.0:100.0 {} 0 {} atom_type 1}}
87        _atom_type_description  {{cif_core_2.2.dic 64500 307} {c {} {} 0 {} atom_type 1}}
88        _atom_type_number_in_cell       {{cif_core_2.2.dic 65119 74} {n 0: {} 0 {} atom_type 1}}
89        _atom_type_oxidation_number     {{cif_core_2.2.dic 65546 75} {n -8:8 {} 0 {} atom_type 1}}
90        _atom_type_radius_bond  {{cif_core_2.2.dic 66065 117} {n 0.0:5.0 {} 0 A atom_type 1}}
91        _atom_type_radius_contact       {{cif_core_2.2.dic 66065 117} {n 0.0:5.0 {} 0 A atom_type 1}}
92        _atom_type_scat_cromer_mann_a1  {{cif_core_2.2.dic 66977 377} {n {} {} 0 {} atom_type 1}}
93        _atom_type_scat_cromer_mann_a2  {{cif_core_2.2.dic 66977 377} {n {} {} 0 {} atom_type 1}}
94        _atom_type_scat_cromer_mann_a3  {{cif_core_2.2.dic 66977 377} {n {} {} 0 {} atom_type 1}}
95        _atom_type_scat_cromer_mann_a4  {{cif_core_2.2.dic 66977 377} {n {} {} 0 {} atom_type 1}}
96        _atom_type_scat_cromer_mann_b1  {{cif_core_2.2.dic 66977 377} {n {} {} 0 {} atom_type 1}}
97        _atom_type_scat_cromer_mann_b2  {{cif_core_2.2.dic 66977 377} {n {} {} 0 {} atom_type 1}}
98        _atom_type_scat_cromer_mann_b3  {{cif_core_2.2.dic 66977 377} {n {} {} 0 {} atom_type 1}}
99        _atom_type_scat_cromer_mann_b4  {{cif_core_2.2.dic 66977 377} {n {} {} 0 {} atom_type 1}}
100        _atom_type_scat_cromer_mann_c   {{cif_core_2.2.dic 66977 377} {n {} {} 0 {} atom_type 1}}
101        _atom_type_scat_dispersion_imag         {{cif_core_2.2.dic 67740 230} {n {} {} 0 {} atom_type 1}}
102        _atom_type_scat_dispersion_real         {{cif_core_2.2.dic 67740 230} {n {} {} 0 {} atom_type 1}}
103        _atom_type_scat_dispersion_source       {{cif_core_2.2.dic 68336 144} {c {} {} 0 {} atom_type 1}}
104        _atom_type_scat_length_neutron  {{cif_core_2.2.dic 68884 181} {n {} {} 0 fm atom_type 1}}
105        _atom_type_scat_source  {{cif_core_2.2.dic 69410 120} {c {} {} 0 {} atom_type 1}}
106        _atom_type_scat_versus_stol_list        {{cif_core_2.2.dic 69820 250} {c {} {} 0 {} atom_type 1}}
107        _atom_type_symbol       {{cif_core_2.2.dic 70440 367} {c {} {} 0 {} atom_type 1}}
108        _audit_[]       {{cif_core_2.2.dic 71799 141} {{} {} {} 0 {} category_overview 0}}
109        _audit_block_code       {{cif_core_2.2.dic 72156 77} {c {} {} 0 {} audit 0}}
110        _audit_creation_date    {{cif_core_2.2.dic 72451 102} {c {} {} 0 {} audit 0}}
111        _audit_creation_method  {{cif_core_2.2.dic 72793 76} {c {} {} 0 {} audit 0}}
112        _audit_update_record    {{cif_core_2.2.dic 73115 250} {c {} {} 0 {} audit 0}}
113        _audit_author_[]        {{cif_core_2.2.dic 74395 125} {{} {} {} 0 {} category_overview 0}}
114        _audit_author_address   {{cif_core_2.2.dic 74981 179} {c {} {} 0 {} audit_author 1}}
115        _audit_author_name      {{cif_core_2.2.dic 75750 312} {c {} {} 0 {} audit_author 1}}
116        _audit_conform_[]       {{cif_core_2.2.dic 76756 201} {{} {} {} 0 {} category_overview 0}}
117        _audit_conform_dict_location    {{cif_core_2.2.dic 77251 118} {c {} {} 0 {} audit_conform 1}}
118        _audit_conform_dict_name        {{cif_core_2.2.dic 77634 121} {c {} {} 0 {} audit_conform 1}}
119        _audit_conform_dict_version     {{cif_core_2.2.dic 78047 65} {c {} {} 0 {} audit_conform 1}}
120        _audit_contact_author_[]        {{cif_core_2.2.dic 79181 210} {{} {} {} 0 {} category_overview 0}}
121        _audit_contact_author_address   {{cif_core_2.2.dic 79787 127} {c {} {} 0 {} audit_contact_author 0}}
122        _audit_contact_author_email     {{cif_core_2.2.dic 80220 200} {c {} {} 0 {} audit_contact_author 0}}
123        _audit_contact_author_fax       {{cif_core_2.2.dic 80726 324} {c {} {} 0 {} audit_contact_author 0}}
124        _audit_contact_author_name      {{cif_core_2.2.dic 81590 268} {c {} {} 0 {} audit_contact_author 0}}
125        _audit_contact_author_phone     {{cif_core_2.2.dic 82221 371} {c {} {} 0 {} audit_contact_author 0}}
126        _audit_link_[]  {{cif_core_2.2.dic 83837 148} {{} {} {} 0 {} category_overview 0}}
127        _audit_link_block_code  {{cif_core_2.2.dic 84242 263} {c {} {} 0 {} audit_link 1}}
128        _audit_link_block_description   {{cif_core_2.2.dic 84795 122} {c {} {} 0 {} audit_link 1}}
129        _cell_[]        {{cif_core_2.2.dic 85937 144} {{} {} {} 0 {} category_overview 0}}
130        _cell_angle_alpha       {{cif_core_2.2.dic 86540 496} {n 0.0:180.0 {} 1 deg cell 0}}
131        _cell_angle_beta        {{cif_core_2.2.dic 86540 496} {n 0.0:180.0 {} 1 deg cell 0}}
132        _cell_angle_gamma       {{cif_core_2.2.dic 86540 496} {n 0.0:180.0 {} 1 deg cell 0}}
133        _cell_formula_units_z   {{cif_core_2.2.dic 87247 192} {n 1: {} 0 {} cell 0}}
134        _cell_length_a  {{cif_core_2.2.dic 87848 505} {n 0.0: {} 1 A cell 0}}
135        _cell_length_b  {{cif_core_2.2.dic 87848 505} {n 0.0: {} 1 A cell 0}}
136        _cell_length_c  {{cif_core_2.2.dic 87848 505} {n 0.0: {} 1 A cell 0}}
137        _cell_measurement_pressure      {{cif_core_2.2.dic 88695 157} {n 0.0: {} 1 kPa cell 0}}
138        _cell_measurement_radiation     {{cif_core_2.2.dic 89105 136} {c {} {} 0 {} cell 0}}
139        _cell_measurement_reflns_used   {{cif_core_2.2.dic 89432 186} {n {} {} 0 {} cell 0}}
140        _cell_measurement_temperature   {{cif_core_2.2.dic 89960 142} {n 0.0: {} 1 K cell 0}}
141        _cell_measurement_theta_max     {{cif_core_2.2.dic 90467 125} {n 0.0:90.0 {} 0 deg cell 0}}
142        _cell_measurement_theta_min     {{cif_core_2.2.dic 90467 125} {n 0.0:90.0 {} 0 deg cell 0}}
143        _cell_measurement_wavelength    {{cif_core_2.2.dic 90897 251} {n 0.0: {} 0 A cell 0}}
144        _cell_special_details   {{cif_core_2.2.dic 91458 122} {c {} {} 0 {} cell 0}}
145        _cell_volume    {{cif_core_2.2.dic 91899 434} {n 0.0: {} 1 A^3^ cell 0}}
146        _cell_measurement_refln_[]      {{cif_core_2.2.dic 93434 330} {{} {} {} 0 {} category_overview 0}}
147        _cell_measurement_refln_index_h         {{cif_core_2.2.dic 94180 101} {n {} {} 0 {} cell_measurement_refln 1}}
148        _cell_measurement_refln_index_k         {{cif_core_2.2.dic 94180 101} {n {} {} 0 {} cell_measurement_refln 1}}
149        _cell_measurement_refln_index_l         {{cif_core_2.2.dic 94180 101} {n {} {} 0 {} cell_measurement_refln 1}}
150        _cell_measurement_refln_theta   {{cif_core_2.2.dic 94711 175} {n 0.0:90.0 {} 0 deg cell_measurement_refln 1}}
151        _chemical_[]    {{cif_core_2.2.dic 95537 271} {{} {} {} 0 {} category_overview 0}}
152        _chemical_absolute_configuration        {{cif_core_2.2.dic 98581 478} {c {} {{rm { absolute configuration established by
153 the structure determination of a
154 compound containing a chiral reference
155 molecule of known absolute
156 configuration]}} {ad { absolute configuration established by
157 anomalous dispersion effects in
158 diffraction measurements on the
159 crystal]}} {rmad { absolute configuration established by
160 the structure determination of a
161 compound containing a chiral reference
162 molecule of known absolute
163 configuration and confirmed by
164 anomalous dispersion effects in
165 diffraction measurements on the
166 crystal]}} {syn { absolute configuration has not been
167 established by anomalous dispersion
168 effects in diffraction measurements on
169 the crystal. The enantiomer has been
170 assigned by reference to an unchanging
171 chiral centre in the synthetic
172 procedure]}} {unk { absolute configuration is unknown,
173 there being no firm chemical evidence
174 for its assignment to hand and it
175 having not been established by
176 anomalous dispersion effects in
177 diffraction measurements on the
178 crystal. An arbitrary choice of
179 enantiomer has been made]}} {. inapplicable\]}} 0 {} chemical 0}}
180        _chemical_compound_source       {{cif_core_2.2.dic 99380 272} {c {} {} 0 {} chemical 0}}
181        _chemical_melting_point         {{cif_core_2.2.dic 99949 108} {n 0.0: {} 0 K chemical 0}}
182        _chemical_name_common   {{cif_core_2.2.dic 100287 70} {c {} {} 0 {} chemical 0}}
183        _chemical_name_mineral  {{cif_core_2.2.dic 100584 183} {c {} {} 0 {} chemical 0}}
184        _chemical_name_structure_type   {{cif_core_2.2.dic 101026 123} {c {} {} 0 {} chemical 0}}
185        _chemical_name_systematic       {{cif_core_2.2.dic 101412 67} {c {} {} 0 {} chemical 0}}
186        _chemical_optical_rotation      {{cif_core_2.2.dic 101740 909} {c {} {} 0 {} chemical 0}}
187        _chemical_conn_atom_[]  {{cif_core_2.2.dic 104014 822} {{} {} {} 0 {} category_overview 0}}
188        _chemical_conn_atom_charge      {{cif_core_2.2.dic 105349 152} {n -6:6 {} 0 {} chemical_conn_atom 1}}
189        _chemical_conn_atom_display_x   {{cif_core_2.2.dic 105911 539} {n 0.0:1.0 {} 0 {} chemical_conn_atom 1}}
190        _chemical_conn_atom_display_y   {{cif_core_2.2.dic 105911 539} {n 0.0:1.0 {} 0 {} chemical_conn_atom 1}}
191        _chemical_conn_atom_nca         {{cif_core_2.2.dic 106781 81} {n 0: {} 0 {} chemical_conn_atom 1}}
192        _chemical_conn_atom_nh  {{cif_core_2.2.dic 107191 346} {n 0: {} 0 {} chemical_conn_atom 1}}
193        _chemical_conn_atom_number      {{cif_core_2.2.dic 108059 78} {n 1: {} 0 {} chemical_conn_atom 1}}
194        _chemical_conn_atom_type_symbol         {{cif_core_2.2.dic 108420 189} {c {} {} 0 {} chemical_conn_atom 1}}
195        _chemical_conn_bond_[]  {{cif_core_2.2.dic 110075 588} {{} {} {} 0 {} category_overview 0}}
196        _chemical_conn_bond_atom_1      {{cif_core_2.2.dic 111054 228} {n 1: {} 0 {} chemical_conn_bond 1}}
197        _chemical_conn_bond_atom_2      {{cif_core_2.2.dic 111054 228} {n 1: {} 0 {} chemical_conn_bond 1}}
198        _chemical_conn_bond_type        {{cif_core_2.2.dic 112090 143} {c {} {{sing {single bond]}} {doub {double bond]}} {trip {triple bond]}} {quad {quadruple bond]}} {arom {aromatic bond]}} {poly {polymeric bond]}} {delo {delocalized double bond]}} {pi {pi bond]}}} 0 {} chemical_conn_bond 1}}
199        _chemical_formula_[]    {{cif_core_2.2.dic 113460 2229} {{} {} {} 0 {} category_overview 0}}
200        _chemical_formula_analytical    {{cif_core_2.2.dic 115949 267} {c {} {} 0 {} chemical_formula 0}}
201        _chemical_formula_iupac         {{cif_core_2.2.dic 116481 587} {c {} {} 0 {} chemical_formula 0}}
202        _chemical_formula_moiety        {{cif_core_2.2.dic 117508 972} {c {} {} 0 {} chemical_formula 0}}
203        _chemical_formula_structural    {{cif_core_2.2.dic 118810 754} {c {} {} 0 {} chemical_formula 0}}
204        _chemical_formula_sum   {{cif_core_2.2.dic 119801 341} {c {} {} 0 {} chemical_formula 0}}
205        _chemical_formula_weight        {{cif_core_2.2.dic 120450 331} {n 1.0: {} 0 Da chemical_formula 0}}
206        _chemical_formula_weight_meas   {{cif_core_2.2.dic 121099 82} {n 1.0: {} 0 Da chemical_formula 0}}
207        _citation_[]    {{cif_core_2.2.dic 123036 153} {{} {} {} 0 {} category_overview 0}}
208        _citation_abstract      {{cif_core_2.2.dic 123445 201} {c {} {} 0 {} citation 1}}
209        _citation_abstract_id_cas       {{cif_core_2.2.dic 123916 120} {c {} {} 0 {} citation 1}}
210        _citation_book_id_isbn  {{cif_core_2.2.dic 124300 139} {c {} {} 0 {} citation 1}}
211        _citation_book_publisher        {{cif_core_2.2.dic 124752 102} {c {} {} 0 {} citation 1}}
212        _citation_book_publisher_city   {{cif_core_2.2.dic 125175 106} {c {} {} 0 {} citation 1}}
213        _citation_book_title    {{cif_core_2.2.dic 125541 114} {c {} {} 0 {} citation 1}}
214        _citation_coordinate_linkage    {{cif_core_2.2.dic 126237 429} {c {} {{no {citation unrelated to current coordinates]}} {n {abbreviation for "no"]}} {yes {citation related to current coordinates]}} {y {abbreviation for "yes"]}}} 0 {} citation 1}}
215        _citation_country       {{cif_core_2.2.dic 126920 114} {c {} {} 0 {} citation 1}}
216        _citation_database_id_medline   {{cif_core_2.2.dic 127390 110} {n 1: {} 0 {} citation 1}}
217        _citation_id    {{cif_core_2.2.dic 127909 421} {c {} {} 0 {} citation 1}}
218        _citation_journal_abbrev        {{cif_core_2.2.dic 128646 126} {c {} {} 0 {} citation 1}}
219        _citation_journal_id_astm       {{cif_core_2.2.dic 129042 262} {c {} {} 0 {} citation 1}}
220        _citation_journal_id_csd        {{cif_core_2.2.dic 129611 214} {c {} {} 0 {} citation 1}}
221        _citation_journal_id_issn       {{cif_core_2.2.dic 130095 147} {c {} {} 0 {} citation 1}}
222        _citation_journal_full  {{cif_core_2.2.dic 130569 80} {c {} {} 0 {} citation 1}}
223        _citation_journal_issue         {{cif_core_2.2.dic 130950 98} {c {} {} 0 {} citation 1}}
224        _citation_journal_volume        {{cif_core_2.2.dic 131353 99} {c {} {} 0 {} citation 1}}
225        _citation_language      {{cif_core_2.2.dic 131748 56} {c {} {} 0 {} citation 1}}
226        _citation_page_first    {{cif_core_2.2.dic 132112 128} {c {} {} 0 {} citation 1}}
227        _citation_page_last     {{cif_core_2.2.dic 132112 128} {c {} {} 0 {} citation 1}}
228        _citation_special_details       {{cif_core_2.2.dic 132807 159} {c {} {} 0 {} citation 1}}
229        _citation_title         {{cif_core_2.2.dic 133345 113} {c {} {} 0 {} citation 1}}
230        _citation_year  {{cif_core_2.2.dic 133744 112} {n {} {} 0 {} citation 1}}
231        _citation_author_[]     {{cif_core_2.2.dic 135363 176} {{} {} {} 0 {} category_overview 0}}
232        _citation_author_citation_id    {{cif_core_2.2.dic 135859 148} {c {} {} 0 {} citation_author 1}}
233        _citation_author_name   {{cif_core_2.2.dic 136606 272} {c {} {} 0 {} citation_author 1}}
234        _citation_author_ordinal        {{cif_core_2.2.dic 137107 123} {c {} {} 0 {} citation_author 1}}
235        _citation_editor_[]     {{cif_core_2.2.dic 137930 196} {{} {} {} 0 {} category_overview 0}}
236        _citation_editor_citation_id    {{cif_core_2.2.dic 138446 148} {c {} {} 0 {} citation_editor 1}}
237        _citation_editor_name   {{cif_core_2.2.dic 139193 232} {c {} {} 0 {} citation_editor 1}}
238        _citation_editor_ordinal        {{cif_core_2.2.dic 139654 123} {c {} {} 0 {} citation_editor 1}}
239        _computing_[]   {{cif_core_2.2.dic 140903 151} {{} {} {} 0 {} category_overview 0}}
240        _computing_cell_refinement      {{cif_core_2.2.dic 141940 133} {c {} {} 0 {} computing 0}}
241        _computing_data_collection      {{cif_core_2.2.dic 141940 133} {c {} {} 0 {} computing 0}}
242        _computing_data_reduction       {{cif_core_2.2.dic 141940 133} {c {} {} 0 {} computing 0}}
243        _computing_molecular_graphics   {{cif_core_2.2.dic 141940 133} {c {} {} 0 {} computing 0}}
244        _computing_publication_material         {{cif_core_2.2.dic 141940 133} {c {} {} 0 {} computing 0}}
245        _computing_structure_refinement         {{cif_core_2.2.dic 141940 133} {c {} {} 0 {} computing 0}}
246        _computing_structure_solution   {{cif_core_2.2.dic 141940 133} {c {} {} 0 {} computing 0}}
247        _database_[]    {{cif_core_2.2.dic 142671 282} {{} {} {} 0 {} category_overview 0}}
248        _database_code_cas      {{cif_core_2.2.dic 143436 379} {c {} {} 0 {} database 0}}
249        _database_code_csd      {{cif_core_2.2.dic 143436 379} {c {} {} 0 {} database 0}}
250        _database_code_icsd     {{cif_core_2.2.dic 143436 379} {c {} {} 0 {} database 0}}
251        _database_code_mdf      {{cif_core_2.2.dic 143436 379} {c {} {} 0 {} database 0}}
252        _database_code_nbs      {{cif_core_2.2.dic 143436 379} {c {} {} 0 {} database 0}}
253        _database_code_pdb      {{cif_core_2.2.dic 143436 379} {c {} {} 0 {} database 0}}
254        _database_code_pdf      {{cif_core_2.2.dic 143436 379} {c {} {} 0 {} database 0}}
255        _database_journal_astm  {{cif_core_2.2.dic 144047 248} {c {} {} 0 {} database 0}}
256        _database_journal_csd   {{cif_core_2.2.dic 144047 248} {c {} {} 0 {} database 0}}
257        _diffrn_[]      {{cif_core_2.2.dic 145042 114} {{} {} {} 0 {} category_overview 0}}
258        _diffrn_ambient_environment     {{cif_core_2.2.dic 145413 70} {c {} {} 0 {} diffrn 0}}
259        _diffrn_ambient_pressure        {{cif_core_2.2.dic 145824 104} {n 0.0: {} 1 kPa diffrn 0}}
260        _diffrn_ambient_temperature     {{cif_core_2.2.dic 146268 101} {n 0.0: {} 1 K diffrn 0}}
261        _diffrn_crystal_treatment       {{cif_core_2.2.dic 146755 193} {c {} {} 0 {} diffrn 0}}
262        _diffrn_measured_fraction_theta_full    {{cif_core_2.2.dic 147202 118} {n 0:1.0 {} 0 {} diffrn 1}}
263        _diffrn_measured_fraction_theta_max     {{cif_core_2.2.dic 147572 117} {n 0:1.0 {} 0 {} diffrn 1}}
264        _diffrn_special_details         {{cif_core_2.2.dic 148056 194} {c {} {} 0 {} diffrn 0}}
265        _diffrn_symmetry_description    {{cif_core_2.2.dic 148441 177} {c {} {} 0 {} diffrn 0}}
266        _diffrn_attenuator_[]   {{cif_core_2.2.dic 149308 141} {{} {} {} 0 {} category_overview 0}}
267        _diffrn_attenuator_code         {{cif_core_2.2.dic 149778 231} {c {} {} 0 {} diffrn_attenuator 1}}
268        _diffrn_attenuator_material     {{cif_core_2.2.dic 150303 60} {c {} {} 0 {} diffrn_attenuator 1}}
269        _diffrn_attenuator_scale        {{cif_core_2.2.dic 150689 304} {n 1.0: {} 0 {} diffrn_attenuator 1}}
270        _diffrn_detector_[]     {{cif_core_2.2.dic 151689 204} {{} {} {} 0 {} category_overview 0}}
271        _diffrn_detector        {{cif_core_2.2.dic 152378 61} {c {} {} 0 {} diffrn_detector 0}}
272        _diffrn_detector_area_resol_mean        {{cif_core_2.2.dic 152780 66} {n 0.0: {} 0 mm^-1^ diffrn_detector 0}}
273        _diffrn_detector_details        {{cif_core_2.2.dic 153038 76} {c {} {} 0 {} diffrn_detector 0}}
274        _diffrn_detector_dtime  {{cif_core_2.2.dic 153449 121} {n 0.0: {} 0 {} diffrn_detector 0}}
275        _diffrn_detector_type   {{cif_core_2.2.dic 153756 69} {c {} {} 0 {} diffrn_detector 0}}
276        _diffrn_radiation_detector      {{cif_core_2.2.dic 154112 74} {c {} {} 0 {} diffrn_detector 0}}
277        _diffrn_radiation_detector_dtime        {{cif_core_2.2.dic 154529 121} {n 0.0: {} 0 {} diffrn_detector 0}}
278        _diffrn_measurement_[]  {{cif_core_2.2.dic 155406 174} {{} {} {} 0 {} category_overview 0}}
279        _diffrn_measurement_details     {{cif_core_2.2.dic 155835 79} {c {} {} 0 {} diffrn_measurement 0}}
280        _diffrn_measurement_device      {{cif_core_2.2.dic 156412 114} {c {} {} 0 {} diffrn_measurement 0}}
281        _diffrn_measurement_device_details      {{cif_core_2.2.dic 156886 123} {c {} {} 0 {} diffrn_measurement 0}}
282        _diffrn_measurement_device_type         {{cif_core_2.2.dic 157218 100} {c {} {} 0 {} diffrn_measurement 0}}
283        _diffrn_measurement_method      {{cif_core_2.2.dic 157582 52} {c {} {} 0 {} diffrn_measurement 0}}
284        _diffrn_measurement_specimen_support    {{cif_core_2.2.dic 158035 103} {c {} {} 0 {} diffrn_measurement 0}}
285        _diffrn_orient_matrix_[]        {{cif_core_2.2.dic 159294 149} {{} {} {} 0 {} category_overview 0}}
286        _diffrn_orient_matrix_type      {{cif_core_2.2.dic 159644 212} {c {} {} 0 {} diffrn_orient_matrix 0}}
287        _diffrn_orient_matrix_ub_11     {{cif_core_2.2.dic 160545 238} {n {} {} 0 {} diffrn_orient_matrix 0}}
288        _diffrn_orient_matrix_ub_12     {{cif_core_2.2.dic 160545 238} {n {} {} 0 {} diffrn_orient_matrix 0}}
289        _diffrn_orient_matrix_ub_13     {{cif_core_2.2.dic 160545 238} {n {} {} 0 {} diffrn_orient_matrix 0}}
290        _diffrn_orient_matrix_ub_21     {{cif_core_2.2.dic 160545 238} {n {} {} 0 {} diffrn_orient_matrix 0}}
291        _diffrn_orient_matrix_ub_22     {{cif_core_2.2.dic 160545 238} {n {} {} 0 {} diffrn_orient_matrix 0}}
292        _diffrn_orient_matrix_ub_23     {{cif_core_2.2.dic 160545 238} {n {} {} 0 {} diffrn_orient_matrix 0}}
293        _diffrn_orient_matrix_ub_31     {{cif_core_2.2.dic 160545 238} {n {} {} 0 {} diffrn_orient_matrix 0}}
294        _diffrn_orient_matrix_ub_32     {{cif_core_2.2.dic 160545 238} {n {} {} 0 {} diffrn_orient_matrix 0}}
295        _diffrn_orient_matrix_ub_33     {{cif_core_2.2.dic 160545 238} {n {} {} 0 {} diffrn_orient_matrix 0}}
296        _diffrn_orient_refln_[]         {{cif_core_2.2.dic 162238 213} {{} {} {} 0 {} category_overview 0}}
297        _diffrn_orient_refln_angle_chi  {{cif_core_2.2.dic 163158 211} {n {} {} 0 deg diffrn_orient_refln 1}}
298        _diffrn_orient_refln_angle_kappa        {{cif_core_2.2.dic 163158 211} {n {} {} 0 deg diffrn_orient_refln 1}}
299        _diffrn_orient_refln_angle_omega        {{cif_core_2.2.dic 163158 211} {n {} {} 0 deg diffrn_orient_refln 1}}
300        _diffrn_orient_refln_angle_phi  {{cif_core_2.2.dic 163158 211} {n {} {} 0 deg diffrn_orient_refln 1}}
301        _diffrn_orient_refln_angle_psi  {{cif_core_2.2.dic 163158 211} {n {} {} 0 deg diffrn_orient_refln 1}}
302        _diffrn_orient_refln_angle_theta        {{cif_core_2.2.dic 163158 211} {n {} {} 0 deg diffrn_orient_refln 1}}
303        _diffrn_orient_refln_index_h    {{cif_core_2.2.dic 163770 126} {n {} {} 0 {} diffrn_orient_refln 1}}
304        _diffrn_orient_refln_index_k    {{cif_core_2.2.dic 163770 126} {n {} {} 0 {} diffrn_orient_refln 1}}
305        _diffrn_orient_refln_index_l    {{cif_core_2.2.dic 163770 126} {n {} {} 0 {} diffrn_orient_refln 1}}
306        _diffrn_radiation_[]    {{cif_core_2.2.dic 164583 339} {{} {} {} 0 {} category_overview 0}}
307        _diffrn_radiation_collimation   {{cif_core_2.2.dic 165270 70} {c {} {} 0 {} diffrn_radiation 0}}
308        _diffrn_radiation_filter_edge   {{cif_core_2.2.dic 165659 75} {n 0.0: {} 0 A diffrn_radiation 0}}
309        _diffrn_radiation_inhomogeneity         {{cif_core_2.2.dic 165979 135} {n 0.0: {} 0 {} diffrn_radiation 0}}
310        _diffrn_radiation_monochromator         {{cif_core_2.2.dic 166447 202} {c {} {} 0 {} diffrn_radiation 0}}
311        _diffrn_radiation_polarisn_norm         {{cif_core_2.2.dic 166980 218} {n -180.0:180.0 {} 0 deg diffrn_radiation 0}}
312        _diffrn_radiation_polarisn_ratio        {{cif_core_2.2.dic 167445 455} {n 0.0: {} 0 {} diffrn_radiation 0}}
313        _diffrn_radiation_probe         {{cif_core_2.2.dic 168252 276} {c {} {{x-ray {}} {neutron {}} {electron {}} {gamma {}}} 0 {} diffrn_radiation 0}}
314        _diffrn_radiation_type  {{cif_core_2.2.dic 168838 247} {c {} {} 0 {} diffrn_radiation 0}}
315        _diffrn_radiation_xray_symbol   {{cif_core_2.2.dic 169592 94} {c {} {{K-L~3~ {K\a~1~ in older Siegbahn notation]}} {K-L~2~ {K\a~2~ in older Siegbahn notation]}} {K-M~3~ {K\b~1~ in older Siegbahn notation]}} {K-L~2,3~ {use where K-L~3~ and K-L~2~ are not resolved]}}} 0 {} diffrn_radiation 0}}
316        _diffrn_radiation_wavelength_[]         {{cif_core_2.2.dic 170382 312} {{} {} {} 0 {} category_overview 0}}
317        _diffrn_radiation_wavelength    {{cif_core_2.2.dic 171125 55} {n 0.0: {} 0 A diffrn_radiation_wavelength 1}}
318        _diffrn_radiation_wavelength_id         {{cif_core_2.2.dic 171579 357} {c {} {} 0 {} diffrn_radiation_wavelength 1}}
319        _diffrn_radiation_wavelength_wt         {{cif_core_2.2.dic 172334 150} {n 0.0:1.0 {} 0 {} diffrn_radiation_wavelength 1}}
320        _diffrn_refln_[]        {{cif_core_2.2.dic 174477 477} {{} {} {} 0 {} category_overview 0}}
321        _diffrn_refln_angle_chi         {{cif_core_2.2.dic 175598 228} {n {} {} 0 deg diffrn_refln 1}}
322        _diffrn_refln_angle_kappa       {{cif_core_2.2.dic 175598 228} {n {} {} 0 deg diffrn_refln 1}}
323        _diffrn_refln_angle_omega       {{cif_core_2.2.dic 175598 228} {n {} {} 0 deg diffrn_refln 1}}
324        _diffrn_refln_angle_phi         {{cif_core_2.2.dic 175598 228} {n {} {} 0 deg diffrn_refln 1}}
325        _diffrn_refln_angle_psi         {{cif_core_2.2.dic 175598 228} {n {} {} 0 deg diffrn_refln 1}}
326        _diffrn_refln_angle_theta       {{cif_core_2.2.dic 175598 228} {n {} {} 0 deg diffrn_refln 1}}
327        _diffrn_refln_attenuator_code   {{cif_core_2.2.dic 176173 160} {c {} {} 0 {} diffrn_refln 1}}
328        _diffrn_refln_class_code        {{cif_core_2.2.dic 176672 588} {c {} {} 0 {} diffrn_refln 1}}
329        _diffrn_refln_counts_bg_1       {{cif_core_2.2.dic 177774 280} {n {} {} 0 {} diffrn_refln 1}}
330        _diffrn_refln_counts_bg_2       {{cif_core_2.2.dic 177774 280} {n {} {} 0 {} diffrn_refln 1}}
331        _diffrn_refln_counts_net        {{cif_core_2.2.dic 177774 280} {n {} {} 0 {} diffrn_refln 1}}
332        _diffrn_refln_counts_peak       {{cif_core_2.2.dic 177774 280} {n {} {} 0 {} diffrn_refln 1}}
333        _diffrn_refln_counts_total      {{cif_core_2.2.dic 177774 280} {n {} {} 0 {} diffrn_refln 1}}
334        _diffrn_refln_crystal_id        {{cif_core_2.2.dic 178385 160} {c {} {} 0 {} diffrn_refln 1}}
335        _diffrn_refln_detect_slit_horiz         {{cif_core_2.2.dic 179018 151} {n 0.0:90.0 {} 0 deg diffrn_refln 1}}
336        _diffrn_refln_detect_slit_vert  {{cif_core_2.2.dic 179018 151} {n 0.0:90.0 {} 0 deg diffrn_refln 1}}
337        _diffrn_refln_elapsed_time      {{cif_core_2.2.dic 179569 135} {n 0.0: {} 0 min diffrn_refln 1}}
338        _diffrn_refln_index_h   {{cif_core_2.2.dic 180070 367} {n {} {} 0 {} diffrn_refln 1}}
339        _diffrn_refln_index_k   {{cif_core_2.2.dic 180070 367} {n {} {} 0 {} diffrn_refln 1}}
340        _diffrn_refln_index_l   {{cif_core_2.2.dic 180070 367} {n {} {} 0 {} diffrn_refln 1}}
341        _diffrn_refln_intensity_net     {{cif_core_2.2.dic 180759 144} {n 0: {} 0 {} diffrn_refln 1}}
342        _diffrn_refln_intensity_sigma   {{cif_core_2.2.dic 181329 196} {n 0: {} 0 {} diffrn_refln 1}}
343        _diffrn_refln_intensity_u       {{cif_core_2.2.dic 181949 187} {n 0: {} 0 {} diffrn_refln 1}}
344        _diffrn_refln_scale_group_code  {{cif_core_2.2.dic 182486 161} {c {} {} 0 {} diffrn_refln 1}}
345        _diffrn_refln_scan_mode         {{cif_core_2.2.dic 183136 161} {c {} {{om {omega scan]}} {ot {omega/2theta scan]}} {q {Q-scans (arbitrary reciprocal directions)]}}} 0 {} diffrn_refln 1}}
346        _diffrn_refln_scan_mode_backgd  {{cif_core_2.2.dic 183746 123} {c {} {{st {stationary counter background]}} {mo {moving counter background]}}} 0 {} diffrn_refln 1}}
347        _diffrn_refln_scan_rate         {{cif_core_2.2.dic 184277 113} {n 0.0: {} 0 deg/min diffrn_refln 1}}
348        _diffrn_refln_scan_time_backgd  {{cif_core_2.2.dic 184797 69} {n 0.0: {} 0 sec diffrn_refln 1}}
349        _diffrn_refln_scan_width        {{cif_core_2.2.dic 185266 119} {n 0.0:90.0 {} 0 deg diffrn_refln 1}}
350        _diffrn_refln_sint/lambda       {{cif_core_2.2.dic 185798 105} {n 0.0: {} 0 A^-1^ diffrn_refln 1}}
351        _diffrn_refln_standard_code     {{cif_core_2.2.dic 186303 202} {c {} {} 0 {} diffrn_refln 1}}
352        _diffrn_refln_wavelength        {{cif_core_2.2.dic 186901 267} {n 0.0: {} 0 A diffrn_refln 1}}
353        _diffrn_refln_wavelength_id     {{cif_core_2.2.dic 187566 80} {c {} {} 0 {} diffrn_refln 1}}
354        _diffrn_reflns_[]       {{cif_core_2.2.dic 188690 484} {{} {} {} 0 {} category_overview 0}}
355        _diffrn_reflns_av_r_equivalents         {{cif_core_2.2.dic 189416 324} {n 0.0: {} 0 {} diffrn_reflns 0}}
356        _diffrn_reflns_av_sigmai/neti   {{cif_core_2.2.dic 190081 81} {n 0.0: {} 0 {} diffrn_reflns 0}}
357        _diffrn_reflns_av_uneti/neti    {{cif_core_2.2.dic 190504 81} {n 0.0: {} 0 {} diffrn_reflns 0}}
358        _diffrn_reflns_limit_h_max      {{cif_core_2.2.dic 191074 129} {n {} {} 0 {} diffrn_reflns 0}}
359        _diffrn_reflns_limit_h_min      {{cif_core_2.2.dic 191074 129} {n {} {} 0 {} diffrn_reflns 0}}
360        _diffrn_reflns_limit_k_max      {{cif_core_2.2.dic 191074 129} {n {} {} 0 {} diffrn_reflns 0}}
361        _diffrn_reflns_limit_k_min      {{cif_core_2.2.dic 191074 129} {n {} {} 0 {} diffrn_reflns 0}}
362        _diffrn_reflns_limit_l_max      {{cif_core_2.2.dic 191074 129} {n {} {} 0 {} diffrn_reflns 0}}
363        _diffrn_reflns_limit_l_min      {{cif_core_2.2.dic 191074 129} {n {} {} 0 {} diffrn_reflns 0}}
364        _diffrn_reflns_number   {{cif_core_2.2.dic 191423 214} {n 0: {} 0 {} diffrn_reflns 0}}
365        _diffrn_reflns_reduction_process        {{cif_core_2.2.dic 191909 125} {c {} {} 0 {} diffrn_reflns 0}}
366        _diffrn_reflns_theta_full       {{cif_core_2.2.dic 192346 263} {n 0.0:90.0 {} 0 deg diffrn_reflns 0}}
367        _diffrn_reflns_theta_max        {{cif_core_2.2.dic 192919 77} {n 0.0:90.0 {} 0 deg diffrn_reflns 0}}
368        _diffrn_reflns_theta_min        {{cif_core_2.2.dic 193306 77} {n 0.0:90.0 {} 0 deg diffrn_reflns 0}}
369        _diffrn_reflns_transf_matrix_11         {{cif_core_2.2.dic 194105 371} {n {} {} 0 {} diffrn_reflns 0}}
370        _diffrn_reflns_transf_matrix_12         {{cif_core_2.2.dic 194105 371} {n {} {} 0 {} diffrn_reflns 0}}
371        _diffrn_reflns_transf_matrix_13         {{cif_core_2.2.dic 194105 371} {n {} {} 0 {} diffrn_reflns 0}}
372        _diffrn_reflns_transf_matrix_21         {{cif_core_2.2.dic 194105 371} {n {} {} 0 {} diffrn_reflns 0}}
373        _diffrn_reflns_transf_matrix_22         {{cif_core_2.2.dic 194105 371} {n {} {} 0 {} diffrn_reflns 0}}
374        _diffrn_reflns_transf_matrix_23         {{cif_core_2.2.dic 194105 371} {n {} {} 0 {} diffrn_reflns 0}}
375        _diffrn_reflns_transf_matrix_31         {{cif_core_2.2.dic 194105 371} {n {} {} 0 {} diffrn_reflns 0}}
376        _diffrn_reflns_transf_matrix_32         {{cif_core_2.2.dic 194105 371} {n {} {} 0 {} diffrn_reflns 0}}
377        _diffrn_reflns_transf_matrix_33         {{cif_core_2.2.dic 194105 371} {n {} {} 0 {} diffrn_reflns 0}}
378        _diffrn_reflns_class_[]         {{cif_core_2.2.dic 195759 181} {{} {} {} 0 {} category_overview 0}}
379        _diffrn_reflns_class_av_r_eq    {{cif_core_2.2.dic 196278 328} {n 0.0: {} 0 {} diffrn_reflns_class 1}}
380        _diffrn_reflns_class_av_sgi/i   {{cif_core_2.2.dic 197049 118} {n 0.0: {} 0 {} diffrn_reflns_class 1}}
381        _diffrn_reflns_class_av_ui/i    {{cif_core_2.2.dic 197611 118} {n 0.0: {} 0 {} diffrn_reflns_class 1}}
382        _diffrn_reflns_class_code       {{cif_core_2.2.dic 198172 65} {c {} {} 0 {} diffrn_reflns_class 1}}
383        _diffrn_reflns_class_description        {{cif_core_2.2.dic 198677 54} {c {} {} 0 {} diffrn_reflns_class 1}}
384        _diffrn_reflns_class_d_res_high         {{cif_core_2.2.dic 199155 220} {n 0.0: {} 0 A diffrn_reflns_class 1}}
385        _diffrn_reflns_class_d_res_low  {{cif_core_2.2.dic 199797 218} {n 0.0: {} 0 A diffrn_reflns_class 1}}
386        _diffrn_reflns_class_number     {{cif_core_2.2.dic 200349 184} {n 0: {} 0 {} diffrn_reflns_class 1}}
387        _diffrn_scale_group_[]  {{cif_core_2.2.dic 201154 383} {{} {} {} 0 {} category_overview 0}}
388        _diffrn_scale_group_code        {{cif_core_2.2.dic 201925 218} {c {} {} 0 {} diffrn_scale_group 1}}
389        _diffrn_scale_group_i_net       {{cif_core_2.2.dic 202473 220} {n 0.0: {} 0 {} diffrn_scale_group 1}}
390        _diffrn_source_[]       {{cif_core_2.2.dic 203521 150} {{} {} {} 0 {} category_overview 0}}
391        _diffrn_radiation_source        {{cif_core_2.2.dic 203950 41} {c {} {} 0 {} diffrn_source 0}}
392        _diffrn_source  {{cif_core_2.2.dic 204580 62} {c {} {} 0 {} diffrn_source 0}}
393        _diffrn_source_current  {{cif_core_2.2.dic 204948 103} {n 0.0: {} 0 mA diffrn_source 0}}
394        _diffrn_source_details  {{cif_core_2.2.dic 205237 69} {c {} {} 0 {} diffrn_source 0}}
395        _diffrn_source_power    {{cif_core_2.2.dic 205605 98} {n 0.0: {} 0 kW diffrn_source 0}}
396        _diffrn_source_size     {{cif_core_2.2.dic 205995 72} {c {} {} 0 {} diffrn_source 0}}
397        _diffrn_source_target   {{cif_core_2.2.dic 206721 192} {c {} {{H {}} {He {}} {Li {}} {Be {}} {B {}} {C {}} {N {}} {O {}} {F {}} {Ne {}} {Na {}} {Mg {}} {Al {}} {Si {}} {P {}} {S {}} {Cl {}} {Ar {}} {K {}} {Ca {}} {Sc {}} {Ti {}} {V {}} {Cr {}} {Mn {}} {Fe {}} {Co {}} {Ni {}} {Cu {}} {Zn {}} {Ga {}} {Ge {}} {As {}} {Se {}} {Br {}} {Kr {}} {Rb {}} {Sr {}} {Y {}} {Zr {}} {Nb {}} {Mo {}} {Tc {}} {Ru {}} {Rh {}} {Pd {}} {Ag {}} {Cd {}} {In {}} {Sn {}} {Sb {}} {Te {}} {I {}} {Xe {}} {Cs {}} {Ba {}} {La {}} {Ce {}} {Pr {}} {Nd {}} {Pm {}} {Sm {}} {Eu {}} {Gd {}} {Tb {}} {Dy {}} {Ho {}} {Er {}} {Tm {}} {Yb {}} {Lu {}} {Hf {}} {Ta {}} {W {}} {Re {}} {Os {}} {Ir {}} {Pt {}} {Au {}} {Hg {}} {Tl {}} {Pb {}} {Bi {}} {Po {}} {At {}} {Rn {}} {Fr {}} {Ra {}} {Ac {}} {Th {}} {Pa {}} {U {}} {Np {}} {Pu {}} {Am {}} {Cm {}} {Bk {}} {Cf {}} {Es {}} {Fm {}} {Md {}} {No {}} {Lr {}}} 0 {} diffrn_source 0}}
398        _diffrn_source_type     {{cif_core_2.2.dic 207200 68} {c {} {} 0 {} diffrn_source 0}}
399        _diffrn_source_voltage  {{cif_core_2.2.dic 207571 100} {n 0.0: {} 0 kV diffrn_source 0}}
400        _diffrn_standard_refln_[]       {{cif_core_2.2.dic 208429 353} {{} {} {} 0 {} category_overview 0}}
401        _diffrn_standard_refln_code     {{cif_core_2.2.dic 209193 263} {c {} {} 0 {} diffrn_standard_refln 1}}
402        _diffrn_standard_refln_index_h  {{cif_core_2.2.dic 209867 115} {n {} {} 0 {} diffrn_standard_refln 1}}
403        _diffrn_standard_refln_index_k  {{cif_core_2.2.dic 209867 115} {n {} {} 0 {} diffrn_standard_refln 1}}
404        _diffrn_standard_refln_index_l  {{cif_core_2.2.dic 209867 115} {n {} {} 0 {} diffrn_standard_refln 1}}
405        _diffrn_standards_[]    {{cif_core_2.2.dic 210700 385} {{} {} {} 0 {} category_overview 0}}
406        _diffrn_standards_decay_%       {{cif_core_2.2.dic 211318 490} {n :100 {} 0 {} diffrn_standards 0}}
407        _diffrn_standards_interval_count        {{cif_core_2.2.dic 212113 153} {n 0: {} 0 {} diffrn_standards 0}}
408        _diffrn_standards_interval_time         {{cif_core_2.2.dic 212113 153} {n 0: {} 0 {} diffrn_standards 0}}
409        _diffrn_standards_number        {{cif_core_2.2.dic 212495 111} {n 0: {} 0 {} diffrn_standards 0}}
410        _diffrn_standards_scale_sigma   {{cif_core_2.2.dic 212947 135} {n 0.0: {} 0 {} diffrn_standards 0}}
411        _diffrn_standards_scale_u       {{cif_core_2.2.dic 213421 126} {n 0.0: {} 0 {} diffrn_standards 0}}
412        _exptl_[]       {{cif_core_2.2.dic 214310 214} {{} {} {} 0 {} category_overview 0}}
413        _exptl_absorpt_coefficient_mu   {{cif_core_2.2.dic 214850 192} {n 0.0: {} 0 mm^-1^ exptl 0}}
414        _exptl_absorpt_correction_t_max         {{cif_core_2.2.dic 215341 200} {n 0.0:1.0 {} 0 {} exptl 0}}
415        _exptl_absorpt_correction_t_min         {{cif_core_2.2.dic 215341 200} {n 0.0:1.0 {} 0 {} exptl 0}}
416        _exptl_absorpt_correction_type  {{cif_core_2.2.dic 216547 180} {c {} {{analytical {analytical from crystal shape]}} {cylinder cylindrical\]} {empirical {empirical from intensities]}} {gaussian {Gaussian from crystal shape]}} {integration {integration from crystal shape]}} {multi-scan {symmetry-related measurements]}} {none {no absorption correction applied]}} {numerical {numerical from crystal shape]}} {psi-scan {psi-scan corrections]}} {refdelf {refined from delta-F]}} {sphere spherical\]}} 0 {} exptl 0}}
417        _exptl_absorpt_process_details  {{cif_core_2.2.dic 217096 179} {c {} {} 0 {} exptl 0}}
418        _exptl_crystals_number  {{cif_core_2.2.dic 217489 100} {n 1: {} 0 {} exptl 0}}
419        _exptl_special_details  {{cif_core_2.2.dic 217767 156} {c {} {} 0 {} exptl 0}}
420        _exptl_crystal_[]       {{cif_core_2.2.dic 218916 208} {{} {} {} 0 {} category_overview 0}}
421        _exptl_crystal_colour   {{cif_core_2.2.dic 219442 43} {c {} {} 0 {} exptl_crystal 1}}
422        _exptl_crystal_density_diffrn   {{cif_core_2.2.dic 219912 159} {n 0.0: {} 0 Mgm^-3^ exptl_crystal 1}}
423        _exptl_crystal_density_meas     {{cif_core_2.2.dic 220531 186} {n 0.0: {} 1 Mgm^-3^ exptl_crystal 1}}
424        _exptl_crystal_density_meas_temp        {{cif_core_2.2.dic 221163 107} {n 0.0: {} 1 K exptl_crystal 1}}
425        _exptl_crystal_density_method   {{cif_core_2.2.dic 221727 72} {c {} {} 0 {} exptl_crystal 1}}
426        _exptl_crystal_description      {{cif_core_2.2.dic 222082 346} {c {} {} 0 {} exptl_crystal 1}}
427        _exptl_crystal_f_000    {{cif_core_2.2.dic 222737 481} {n 0.0: {} 0 {} exptl_crystal 1}}
428        _exptl_crystal_id       {{cif_core_2.2.dic 223577 229} {c {} {} 0 {} exptl_crystal 1}}
429        _exptl_crystal_preparation      {{cif_core_2.2.dic 224166 141} {c {} {} 0 {} exptl_crystal 1}}
430        _exptl_crystal_pressure_history         {{cif_core_2.2.dic 224600 95} {c {} {} 0 {} exptl_crystal 1}}
431        _exptl_crystal_size_length      {{cif_core_2.2.dic 225319 426} {n 0.0: {} 0 mm exptl_crystal 1}}
432        _exptl_crystal_size_max         {{cif_core_2.2.dic 225319 426} {n 0.0: {} 0 mm exptl_crystal 1}}
433        _exptl_crystal_size_mid         {{cif_core_2.2.dic 225319 426} {n 0.0: {} 0 mm exptl_crystal 1}}
434        _exptl_crystal_size_min         {{cif_core_2.2.dic 225319 426} {n 0.0: {} 0 mm exptl_crystal 1}}
435        _exptl_crystal_size_rad         {{cif_core_2.2.dic 225319 426} {n 0.0: {} 0 mm exptl_crystal 1}}
436        _exptl_crystal_thermal_history  {{cif_core_2.2.dic 226036 94} {c {} {} 0 {} exptl_crystal 1}}
437        _exptl_crystal_face_[]  {{cif_core_2.2.dic 227140 114} {{} {} {} 0 {} category_overview 0}}
438        _exptl_crystal_face_diffr_chi   {{cif_core_2.2.dic 227822 277} {n {} {} 0 deg exptl_crystal_face 1}}
439        _exptl_crystal_face_diffr_kappa         {{cif_core_2.2.dic 227822 277} {n {} {} 0 deg exptl_crystal_face 1}}
440        _exptl_crystal_face_diffr_phi   {{cif_core_2.2.dic 227822 277} {n {} {} 0 deg exptl_crystal_face 1}}
441        _exptl_crystal_face_diffr_psi   {{cif_core_2.2.dic 227822 277} {n {} {} 0 deg exptl_crystal_face 1}}
442        _exptl_crystal_face_index_h     {{cif_core_2.2.dic 228495 123} {n {} {} 0 {} exptl_crystal_face 1}}
443        _exptl_crystal_face_index_k     {{cif_core_2.2.dic 228495 123} {n {} {} 0 {} exptl_crystal_face 1}}
444        _exptl_crystal_face_index_l     {{cif_core_2.2.dic 228495 123} {n {} {} 0 {} exptl_crystal_face 1}}
445        _exptl_crystal_face_perp_dist   {{cif_core_2.2.dic 229039 127} {n 0.0: {} 0 mm exptl_crystal_face 1}}
446        _geom_[]        {{cif_core_2.2.dic 230219 761} {{} {} {} 0 {} category_overview 0}}
447        _geom_special_details   {{cif_core_2.2.dic 231155 186} {c {} {} 0 {} geom 0}}
448        _geom_angle_[]  {{cif_core_2.2.dic 232622 192} {{} {} {} 0 {} category_overview 0}}
449        _geom_angle     {{cif_core_2.2.dic 233189 175} {n {} {} 1 deg geom_angle 1}}
450        _geom_angle_atom_site_label_1   {{cif_core_2.2.dic 233810 271} {c {} {} 0 {} geom_angle 1}}
451        _geom_angle_atom_site_label_2   {{cif_core_2.2.dic 233810 271} {c {} {} 0 {} geom_angle 1}}
452        _geom_angle_atom_site_label_3   {{cif_core_2.2.dic 233810 271} {c {} {} 0 {} geom_angle 1}}
453        _geom_angle_publ_flag   {{cif_core_2.2.dic 234691 148} {c {} {{no {do not include angle in special list]}} {n {abbreviation for "no"]}} {yes {do include angle in special list]}} {y {abbreviation for "yes"]}}} 0 {} geom_angle 1}}
454        _geom_angle_site_symmetry_1     {{cif_core_2.2.dic 235494 1041} {c {} {} 0 {} geom_angle 1}}
455        _geom_angle_site_symmetry_2     {{cif_core_2.2.dic 235494 1041} {c {} {} 0 {} geom_angle 1}}
456        _geom_angle_site_symmetry_3     {{cif_core_2.2.dic 235494 1041} {c {} {} 0 {} geom_angle 1}}
457        _geom_bond_[]   {{cif_core_2.2.dic 237668 181} {{} {} {} 0 {} category_overview 0}}
458        _geom_bond_atom_site_label_1    {{cif_core_2.2.dic 238228 150} {c {} {} 0 {} geom_bond 1}}
459        _geom_bond_atom_site_label_2    {{cif_core_2.2.dic 238228 150} {c {} {} 0 {} geom_bond 1}}
460        _geom_bond_distance     {{cif_core_2.2.dic 238805 63} {n 0.0: {} 1 A geom_bond 1}}
461        _geom_bond_publ_flag    {{cif_core_2.2.dic 239472 178} {c {} {{no {do not include bond in special list]}} {n {abbreviation for "no"]}} {yes {do include bond in special list]}} {y {abbreviation for "yes"]}}} 0 {} geom_bond 1}}
462        _geom_bond_site_symmetry_1      {{cif_core_2.2.dic 240239 1040} {c {} {} 0 {} geom_bond 1}}
463        _geom_bond_site_symmetry_2      {{cif_core_2.2.dic 240239 1040} {c {} {} 0 {} geom_bond 1}}
464        _geom_bond_valence      {{cif_core_2.2.dic 241553 70} {n {} {} 0 {} geom_bond 1}}
465        _geom_contact_[]        {{cif_core_2.2.dic 242495 199} {{} {} {} 0 {} category_overview 0}}
466        _geom_contact_atom_site_label_1         {{cif_core_2.2.dic 243085 157} {c {} {} 0 {} geom_contact 1}}
467        _geom_contact_atom_site_label_2         {{cif_core_2.2.dic 243085 157} {c {} {} 0 {} geom_contact 1}}
468        _geom_contact_distance  {{cif_core_2.2.dic 243681 63} {n 0.0: {} 1 A geom_contact 1}}
469        _geom_contact_publ_flag         {{cif_core_2.2.dic 244368 184} {c {} {{no {do not include distance in special list]}} {n {abbreviation for "no"]}} {yes {do include distance in special list]}} {y {abbreviation for "yes"]}}} 0 {} geom_contact 1}}
470        _geom_contact_site_symmetry_1   {{cif_core_2.2.dic 245156 1043} {c {} {} 0 {} geom_contact 1}}
471        _geom_contact_site_symmetry_2   {{cif_core_2.2.dic 245156 1043} {c {} {} 0 {} geom_contact 1}}
472        _geom_hbond_[]  {{cif_core_2.2.dic 247222 191} {{} {} {} 0 {} category_overview 0}}
473        _geom_hbond_angle_dha   {{cif_core_2.2.dic 247808 243} {n {} {} 1 deg geom_hbond 1}}
474        _geom_hbond_atom_site_label_d   {{cif_core_2.2.dic 248497 241} {c {} {} 0 {} geom_hbond 1}}
475        _geom_hbond_atom_site_label_h   {{cif_core_2.2.dic 248497 241} {c {} {} 0 {} geom_hbond 1}}
476        _geom_hbond_atom_site_label_a   {{cif_core_2.2.dic 248497 241} {c {} {} 0 {} geom_hbond 1}}
477        _geom_hbond_distance_dh         {{cif_core_2.2.dic 249287 193} {n 0.0: {} 1 A geom_hbond 1}}
478        _geom_hbond_distance_ha         {{cif_core_2.2.dic 249287 193} {n 0.0: {} 1 A geom_hbond 1}}
479        _geom_hbond_distance_da         {{cif_core_2.2.dic 249287 193} {n 0.0: {} 1 A geom_hbond 1}}
480        _geom_hbond_publ_flag   {{cif_core_2.2.dic 250088 199} {c {} {{no {do not include bond in special list]}} {n {abbreviation for "no"]}} {yes {do include bond in special list]}} {y {abbreviation for "yes"]}}} 0 {} geom_hbond 1}}
481        _geom_hbond_site_symmetry_d     {{cif_core_2.2.dic 250942 1049} {c {} {} 0 {} geom_hbond 1}}
482        _geom_hbond_site_symmetry_h     {{cif_core_2.2.dic 250942 1049} {c {} {} 0 {} geom_hbond 1}}
483        _geom_hbond_site_symmetry_a     {{cif_core_2.2.dic 250942 1049} {c {} {} 0 {} geom_hbond 1}}
484        _geom_torsion_[]        {{cif_core_2.2.dic 253283 205} {{} {} {} 0 {} category_overview 0}}
485        _geom_torsion   {{cif_core_2.2.dic 253871 392} {n {} {} 1 deg geom_torsion 1}}
486        _geom_torsion_atom_site_label_1         {{cif_core_2.2.dic 254784 739} {c {} {} 0 {} geom_torsion 1}}
487        _geom_torsion_atom_site_label_2         {{cif_core_2.2.dic 254784 739} {c {} {} 0 {} geom_torsion 1}}
488        _geom_torsion_atom_site_label_3         {{cif_core_2.2.dic 254784 739} {c {} {} 0 {} geom_torsion 1}}
489        _geom_torsion_atom_site_label_4         {{cif_core_2.2.dic 254784 739} {c {} {} 0 {} geom_torsion 1}}
490        _geom_torsion_publ_flag         {{cif_core_2.2.dic 256141 179} {c {} {{no {do not include angle in special list]}} {n {abbreviation for "no"]}} {yes {do include angle in special list]}} {y {abbreviation for "yes"]}}} 0 {} geom_torsion 1}}
491        _geom_torsion_site_symmetry_1   {{cif_core_2.2.dic 257050 1041} {c {} {} 0 {} geom_torsion 1}}
492        _geom_torsion_site_symmetry_2   {{cif_core_2.2.dic 257050 1041} {c {} {} 0 {} geom_torsion 1}}
493        _geom_torsion_site_symmetry_3   {{cif_core_2.2.dic 257050 1041} {c {} {} 0 {} geom_torsion 1}}
494        _geom_torsion_site_symmetry_4   {{cif_core_2.2.dic 257050 1041} {c {} {} 0 {} geom_torsion 1}}
495        _journal_[]     {{cif_core_2.2.dic 259334 401} {{} {} {} 0 {} category_overview 0}}
496        _journal_coden_astm     {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
497        _journal_coden_cambridge        {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
498        _journal_coeditor_address       {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
499        _journal_coeditor_code  {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
500        _journal_coeditor_email         {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
501        _journal_coeditor_fax   {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
502        _journal_coeditor_name  {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
503        _journal_coeditor_notes         {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
504        _journal_coeditor_phone         {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
505        _journal_data_validation_number         {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
506        _journal_date_accepted  {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
507        _journal_date_from_coeditor     {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
508        _journal_date_to_coeditor       {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
509        _journal_date_printers_final    {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
510        _journal_date_printers_first    {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
511        _journal_date_proofs_in         {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
512        _journal_date_proofs_out        {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
513        _journal_date_recd_copyright    {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
514        _journal_date_recd_electronic   {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
515        _journal_date_recd_hard_copy    {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
516        _journal_issue  {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
517        _journal_language       {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
518        _journal_name_full      {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
519        _journal_page_first     {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
520        _journal_page_last      {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
521        _journal_paper_category         {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
522        _journal_suppl_publ_number      {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
523        _journal_suppl_publ_pages       {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
524        _journal_techeditor_address     {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
525        _journal_techeditor_code        {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
526        _journal_techeditor_email       {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
527        _journal_techeditor_fax         {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
528        _journal_techeditor_name        {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
529        _journal_techeditor_notes       {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
530        _journal_techeditor_phone       {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
531        _journal_volume         {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
532        _journal_year   {{cif_core_2.2.dic 261960 59} {c {} {} 0 {} journal 0}}
533        _journal_index_[]       {{cif_core_2.2.dic 262925 220} {{} {} {} 0 {} category_overview 0}}
534        _journal_index_subterm  {{cif_core_2.2.dic 263430 58} {c {} {} 0 {} journal_index 0}}
535        _journal_index_term     {{cif_core_2.2.dic 263430 58} {c {} {} 0 {} journal_index 0}}
536        _journal_index_type     {{cif_core_2.2.dic 263430 58} {c {} {} 0 {} journal_index 0}}
537        _publ_[]        {{cif_core_2.2.dic 265103 628} {{} {} {} 0 {} category_overview 0}}
538        _publ_contact_author    {{cif_core_2.2.dic 266185 307} {c {} {} 0 {} publ 0}}
539        _publ_contact_author_address    {{cif_core_2.2.dic 266901 175} {c {} {} 0 {} publ 0}}
540        _publ_contact_author_email      {{cif_core_2.2.dic 267364 80} {c {} {} 0 {} publ 0}}
541        _publ_contact_author_fax        {{cif_core_2.2.dic 267732 442} {c {} {} 0 {} publ 0}}
542        _publ_contact_author_name       {{cif_core_2.2.dic 268417 172} {c {} {} 0 {} publ 0}}
543        _publ_contact_author_phone      {{cif_core_2.2.dic 268934 489} {c {} {} 0 {} publ 0}}
544        _publ_contact_letter    {{cif_core_2.2.dic 269596 80} {c {} {} 0 {} publ 0}}
545        _publ_manuscript_creation       {{cif_core_2.2.dic 269939 185} {c {} {} 0 {} publ 0}}
546        _publ_manuscript_processed      {{cif_core_2.2.dic 270309 303} {c {} {} 0 {} publ 0}}
547        _publ_manuscript_text   {{cif_core_2.2.dic 270787 137} {c {} {} 0 {} publ 0}}
548        _publ_requested_category        {{cif_core_2.2.dic 272029 253} {c {} {{FA {Full article]}} {FI {Full submission - inorganic (Acta C)]}} {FO {Full submission - organic (Acta C)]}} {FM {Full submission - metal-organic (Acta C)]}} {CI {CIF-access paper - inorganic (Acta C)]}} {CO {CIF-access paper - organic (Acta C)]}} {CM {CIF-access paper - metal-organic (Acta C)]}} {EI {Electronic submission - inorganic (Acta E)]}} {EO {Electronic submission - organic (Acta E)]}} {EM {Electronic submission - metal-organic (Acta E)]}} {AD {Addenda & Errata (Acta C, Acta E)]}} {SC {Short Communication]}}} 0 {} publ 0}}
549        _publ_requested_coeditor_name   {{cif_core_2.2.dic 272473 122} {c {} {} 0 {} publ 0}}
550        _publ_requested_journal         {{cif_core_2.2.dic 272774 99} {c {} {} 0 {} publ 0}}
551        _publ_section_title     {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
552        _publ_section_title_footnote    {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
553        _publ_section_synopsis  {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
554        _publ_section_abstract  {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
555        _publ_section_comment   {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
556        _publ_section_introduction      {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
557        _publ_section_experimental      {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
558        _publ_section_exptl_prep        {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
559        _publ_section_exptl_refinement  {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
560        _publ_section_exptl_solution    {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
561        _publ_section_discussion        {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
562        _publ_section_acknowledgements  {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
563        _publ_section_references        {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
564        _publ_section_figure_captions   {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
565        _publ_section_table_legends     {{cif_core_2.2.dic 273876 465} {c {} {} 0 {} publ 0}}
566        _publ_author_[]         {{cif_core_2.2.dic 275146 143} {{} {} {} 0 {} category_overview 0}}
567        _publ_author_address    {{cif_core_2.2.dic 275747 145} {c {} {} 0 {} publ_author 1}}
568        _publ_author_footnote   {{cif_core_2.2.dic 276299 206} {c {} {} 0 {} publ_author 1}}
569        _publ_author_name       {{cif_core_2.2.dic 277093 289} {c {} {} 0 {} publ_author 1}}
570        _publ_body_[]   {{cif_core_2.2.dic 279464 493} {{} {} {} 0 {} category_overview 0}}
571        _publ_body_contents     {{cif_core_2.2.dic 280220 53} {c {} {} 0 {} publ_body 1}}
572        _publ_body_element      {{cif_core_2.2.dic 280773 68} {c {} {{section {}} {subsection {}} {subsubsection {}} {appendix {}} {footnote {}}} 0 {} publ_body 1}}
573        _publ_body_format       {{cif_core_2.2.dic 281594 167} {c {} {{ascii {no coding for special symbols]}} {cif {CIF convention]}} {latex LaTeX\]} {rtf {Rich Text Format]}} {sgml {SGML (ISO 8879)]}} {tex TeX\]} {troff {troff or nroff]}}} 0 {} publ_body 1}}
574        _publ_body_label        {{cif_core_2.2.dic 282106 133} {c {} {} 0 {} publ_body 1}}
575        _publ_body_title        {{cif_core_2.2.dic 282496 57} {c {} {} 0 {} publ_body 1}}
576        _publ_manuscript_incl_[]        {{cif_core_2.2.dic 284627 649} {{} {} {} 0 {} category_overview 0}}
577        _publ_manuscript_incl_extra_defn        {{cif_core_2.2.dic 285937 157} {c {} {{no {not a standard CIF data name]}} {n {abbreviation for "no"]}} {yes {a standard CIF data name]}} {y {abbreviation for "yes"]}}} 0 {} publ_manuscript_incl 1}}
578        _publ_manuscript_incl_extra_info        {{cif_core_2.2.dic 286410 197} {c {} {} 0 {} publ_manuscript_incl 1}}
579        _publ_manuscript_incl_extra_item        {{cif_core_2.2.dic 286894 307} {c {} {} 0 {} publ_manuscript_incl 1}}
580        _refine_[]      {{cif_core_2.2.dic 289109 123} {{} {} {} 0 {} category_overview 0}}
581        _refine_diff_density_max        {{cif_core_2.2.dic 289668 540} {n {} {} 1 e_A^-3^ refine 0}}
582        _refine_diff_density_min        {{cif_core_2.2.dic 289668 540} {n {} {} 1 e_A^-3^ refine 0}}
583        _refine_diff_density_rms        {{cif_core_2.2.dic 289668 540} {n {} {} 1 e_A^-3^ refine 0}}
584        _refine_ls_abs_structure_details        {{cif_core_2.2.dic 290407 80} {c {} {} 0 {} refine 0}}
585        _refine_ls_abs_structure_flack  {{cif_core_2.2.dic 290760 645} {n 0.0:1.0 {} 1 {} refine 0}}
586        _refine_ls_abs_structure_rogers         {{cif_core_2.2.dic 291681 444} {n -1.0:1.0 {} 1 {} refine 0}}
587        _refine_ls_d_res_high   {{cif_core_2.2.dic 292418 179} {n 0.0: {} 0 A refine 0}}
588        _refine_ls_d_res_low    {{cif_core_2.2.dic 292888 177} {n 0.0: {} 0 A refine 0}}
589        _refine_ls_extinction_coef      {{cif_core_2.2.dic 293407 912} {n {} {} 1 {} refine 0}}
590        _refine_ls_extinction_expression        {{cif_core_2.2.dic 294736 299} {c {} {} 0 {} refine 0}}
591        _refine_ls_extinction_method    {{cif_core_2.2.dic 295375 1497} {c {} {} 0 {} refine 0}}
592        _refine_ls_goodness_of_fit_all  {{cif_core_2.2.dic 297142 1064} {n 0.0: {} 1 {} refine 0}}
593        _refine_ls_goodness_of_fit_gt   {{cif_core_2.2.dic 298581 1134} {n 0.0: {} 1 {} refine 0}}
594        _refine_ls_goodness_of_fit_obs  {{cif_core_2.2.dic 300089 1112} {n 0.0: {} 1 {} refine 0}}
595        _refine_ls_goodness_of_fit_ref  {{cif_core_2.2.dic 301471 1092} {n 0.0: {} 1 {} refine 0}}
596        _refine_ls_hydrogen_treatment   {{cif_core_2.2.dic 303308 77} {c {} {{refall {refined all H parameters]}} {refxyz {refined H coordinates only]}} {refU {refined H U only]}} {noref {no refinement of H parameters]}} {constr {H parameters constrained]}} {mixed {some constrained, some independent]}} {undef {H-atom parameters not defined]}}} 0 {} refine 0}}
597        _refine_ls_matrix_type  {{cif_core_2.2.dic 304031 81} {c {} {{full full\]} {fullcycle {full with fixed elements per cycle]}} {atomblock {block diagonal per atom]}} {userblock {user-defined blocks]}} {diagonal {diagonal elements only]}} {sparse {selected elements only]}}} 0 {} refine 0}}
598        _refine_ls_number_constraints   {{cif_core_2.2.dic 304376 402} {n 0: {} 0 {} refine 0}}
599        _refine_ls_number_parameters    {{cif_core_2.2.dic 305005 639} {n 0: {} 0 {} refine 0}}
600        _refine_ls_number_reflns        {{cif_core_2.2.dic 305863 122} {n 0: {} 0 {} refine 0}}
601        _refine_ls_number_restraints    {{cif_core_2.2.dic 306212 433} {n 0: {} 0 {} refine 0}}
602        _refine_ls_r_factor_all         {{cif_core_2.2.dic 306864 604} {n 0.0: {} 0 {} refine 0}}
603        _refine_ls_r_factor_gt  {{cif_core_2.2.dic 307785 843} {n 0.0: {} 0 {} refine 0}}
604        _refine_ls_r_factor_obs         {{cif_core_2.2.dic 308944 742} {n 0.0: {} 0 {} refine 0}}
605        _refine_ls_r_fsqd_factor        {{cif_core_2.2.dic 309908 852} {n 0.0: {} 0 {} refine 0}}
606        _refine_ls_r_i_factor   {{cif_core_2.2.dic 310976 646} {n 0.0: {} 0 {} refine 0}}
607        _refine_ls_restrained_s_all     {{cif_core_2.2.dic 311849 1629} {n 0.0: {} 0 {} refine 0}}
608        _refine_ls_restrained_s_gt      {{cif_core_2.2.dic 313807 1704} {n 0.0: {} 0 {} refine 0}}
609        _refine_ls_restrained_s_obs     {{cif_core_2.2.dic 315839 1636} {n 0.0: {} 0 {} refine 0}}
610        _refine_ls_shift/esd_max        {{cif_core_2.2.dic 317794 217} {n 0.0: {} 0 {} refine 0}}
611        _refine_ls_shift/esd_mean       {{cif_core_2.2.dic 318333 217} {n 0.0: {} 0 {} refine 0}}
612        _refine_ls_shift/su_max         {{cif_core_2.2.dic 318870 135} {n 0.0: {} 0 {} refine 0}}
613        _refine_ls_shift/su_mean        {{cif_core_2.2.dic 319328 135} {n 0.0: {} 0 {} refine 0}}
614        _refine_ls_structure_factor_coef        {{cif_core_2.2.dic 319912 122} {c {} {{F {structure factor magnitude]}} {Fsqd {structure factor squared]}} {Inet {net intensity]}}} 0 {} refine 0}}
615        _refine_ls_weighting_details    {{cif_core_2.2.dic 320511 253} {c {} {} 0 {} refine 0}}
616        _refine_ls_weighting_scheme     {{cif_core_2.2.dic 321226 235} {c {} {{sigma {based on measured s.u.'s]}} {unit {unit or no weights applied]}} {calc {calculated weights applied]}}} 0 {} refine 0}}
617        _refine_ls_wr_factor_all        {{cif_core_2.2.dic 321682 798} {n 0.0: {} 0 {} refine 0}}
618        _refine_ls_wr_factor_gt         {{cif_core_2.2.dic 322800 917} {n 0.0: {} 0 {} refine 0}}
619        _refine_ls_wr_factor_obs        {{cif_core_2.2.dic 324036 918} {n 0.0: {} 0 {} refine 0}}
620        _refine_ls_wr_factor_ref        {{cif_core_2.2.dic 325175 842} {n 0.0: {} 0 {} refine 0}}
621        _refine_special_details         {{cif_core_2.2.dic 326198 74} {c {} {} 0 {} refine 0}}
622        _refine_ls_class_[]     {{cif_core_2.2.dic 327155 200} {{} {} {} 0 {} category_overview 0}}
623        _refine_ls_class_code   {{cif_core_2.2.dic 327743 123} {c {} {} 0 {} refine_ls_class 1}}
624        _refine_ls_class_d_res_high     {{cif_core_2.2.dic 328274 214} {n 0.0: {} 0 A refine_ls_class 1}}
625        _refine_ls_class_d_res_low      {{cif_core_2.2.dic 328894 214} {n 0.0: {} 0 A refine_ls_class 1}}
626        _refine_ls_class_r_factor_all   {{cif_core_2.2.dic 329499 835} {n 0.0: {} 0 {} refine_ls_class 1}}
627        _refine_ls_class_r_factor_gt    {{cif_core_2.2.dic 329499 835} {n 0.0: {} 0 {} refine_ls_class 1}}
628        _refine_ls_class_r_fsqd_factor  {{cif_core_2.2.dic 330668 957} {n 0.0: {} 0 {} refine_ls_class 1}}
629        _refine_ls_class_r_i_factor     {{cif_core_2.2.dic 331953 739} {n 0.0: {} 0 {} refine_ls_class 1}}
630        _refine_ls_class_wr_factor_all  {{cif_core_2.2.dic 333026 890} {n 0.0: {} 0 {} refine_ls_class 1}}
631        _refln_[]       {{cif_core_2.2.dic 336199 412} {{} {} {} 0 {} category_overview 0}}
632        _refln_a_calc   {{cif_core_2.2.dic 336898 159} {n {} {} 0 {} refln 1}}
633        _refln_a_meas   {{cif_core_2.2.dic 336898 159} {n {} {} 0 {} refln 1}}
634        _refln_b_calc   {{cif_core_2.2.dic 337344 159} {n {} {} 0 {} refln 1}}
635        _refln_b_meas   {{cif_core_2.2.dic 337344 159} {n {} {} 0 {} refln 1}}
636        _refln_class_code       {{cif_core_2.2.dic 337807 581} {c {} {} 0 {} refln 1}}
637        _refln_d_spacing        {{cif_core_2.2.dic 338754 205} {n 0.0: {} 0 A refln 1}}
638        _refln_crystal_id       {{cif_core_2.2.dic 339262 160} {c {} {} 0 {} refln 1}}
639        _refln_f_calc   {{cif_core_2.2.dic 339757 186} {n {} {} 0 {} refln 1}}
640        _refln_f_meas   {{cif_core_2.2.dic 339757 186} {n {} {} 0 {} refln 1}}
641        _refln_f_sigma  {{cif_core_2.2.dic 339757 186} {n {} {} 0 {} refln 1}}
642        _refln_f_squared_calc   {{cif_core_2.2.dic 340310 208} {n {} {} 0 {} refln 1}}
643        _refln_f_squared_meas   {{cif_core_2.2.dic 340310 208} {n {} {} 0 {} refln 1}}
644        _refln_f_squared_sigma  {{cif_core_2.2.dic 340310 208} {n {} {} 0 {} refln 1}}
645        _refln_include_status   {{cif_core_2.2.dic 341857 161} {c {} {{o { (lower-case letter o for 'observed')
646 satisfies _refine_ls_d_res_high
647 satisfies _refine_ls_d_res_low
648 exceeds _reflns_threshold_expression]}} {< { satisfies _refine_ls_d_res_high
649 satisfies _refine_ls_d_res_low
650 does not exceed
651 _reflns_threshold_expression]}} {- {systematically absent reflection]}} {x {unreliable measurement -- not used]}} {h {does not satisfy _refine_ls_d_res_high]}} {l {does not satisfy _refine_ls_d_res_low]}}} 0 {} refln 1}}
652        _refln_index_h  {{cif_core_2.2.dic 342349 225} {n {} {} 0 {} refln 1}}
653        _refln_index_k  {{cif_core_2.2.dic 342349 225} {n {} {} 0 {} refln 1}}
654        _refln_index_l  {{cif_core_2.2.dic 342349 225} {n {} {} 0 {} refln 1}}
655        _refln_intensity_calc   {{cif_core_2.2.dic 342941 149} {n {} {} 0 {} refln 1}}
656        _refln_intensity_meas   {{cif_core_2.2.dic 342941 149} {n {} {} 0 {} refln 1}}
657        _refln_intensity_sigma  {{cif_core_2.2.dic 342941 149} {n {} {} 0 {} refln 1}}
658        _refln_mean_path_length_tbar    {{cif_core_2.2.dic 343483 104} {n 0.0: {} 0 mm refln 1}}
659        _refln_observed_status  {{cif_core_2.2.dic 344808 161} {c {} {{o { satisfies _refine_ls_d_res_high
660 satisfies _refine_ls_d_res_low
661 observed by _reflns_observed_criterion]}} {< { satisfies _refine_ls_d_res_high
662 satisfies _refine_ls_d_res_low
663 unobserved by _reflns_observed_criterion]}} {- {systematically absent reflection]}} {x {unreliable measurement -- not used]}} {h {does not satisfy _refine_ls_d_res_high]}} {l {does not satisfy _refine_ls_d_res_low]}}} 0 {} refln 1}}
664        _refln_phase_calc       {{cif_core_2.2.dic 345299 66} {n {} {} 0 deg refln 1}}
665        _refln_phase_meas       {{cif_core_2.2.dic 345732 64} {n {} {} 1 deg refln 1}}
666        _refln_refinement_status        {{cif_core_2.2.dic 346327 74} {c {} {{incl {included in ls process]}} {excl {excluded from ls process]}} {extn {excluded due to extinction]}}} 0 {} refln 1}}
667        _refln_scale_group_code         {{cif_core_2.2.dic 346778 149} {c {} {} 0 {} refln 1}}
668        _refln_sint/lambda      {{cif_core_2.2.dic 347312 105} {n 0.0: {} 0 A^-1^ refln 1}}
669        _refln_symmetry_epsilon         {{cif_core_2.2.dic 347719 208} {n 1:48 {} 0 {} refln 1}}
670        _refln_symmetry_multiplicity    {{cif_core_2.2.dic 348239 382} {n 1:48 {} 0 {} refln 1}}
671        _refln_wavelength       {{cif_core_2.2.dic 348989 229} {n 0.0: {} 0 A refln 1}}
672        _refln_wavelength_id    {{cif_core_2.2.dic 349541 132} {c {} {} 0 {} refln 1}}
673        _reflns_[]      {{cif_core_2.2.dic 350694 413} {{} {} {} 0 {} category_overview 0}}
674        _reflns_d_resolution_high       {{cif_core_2.2.dic 351462 187} {n 0.0: {} 0 A reflns 0}}
675        _reflns_d_resolution_low        {{cif_core_2.2.dic 351462 187} {n 0.0: {} 0 A reflns 0}}
676        _reflns_friedel_coverage        {{cif_core_2.2.dic 351873 1833} {n 0.0:1.0 {} 0 {} reflns 0}}
677        _reflns_limit_h_max     {{cif_core_2.2.dic 354139 147} {n {} {} 0 {} reflns 0}}
678        _reflns_limit_h_min     {{cif_core_2.2.dic 354139 147} {n {} {} 0 {} reflns 0}}
679        _reflns_limit_k_max     {{cif_core_2.2.dic 354139 147} {n {} {} 0 {} reflns 0}}
680        _reflns_limit_k_min     {{cif_core_2.2.dic 354139 147} {n {} {} 0 {} reflns 0}}
681        _reflns_limit_l_max     {{cif_core_2.2.dic 354139 147} {n {} {} 0 {} reflns 0}}
682        _reflns_limit_l_min     {{cif_core_2.2.dic 354139 147} {n {} {} 0 {} reflns 0}}
683        _reflns_number_gt       {{cif_core_2.2.dic 354591 661} {n 0: {} 0 {} reflns 0}}
684        _reflns_number_observed         {{cif_core_2.2.dic 355561 600} {n 0: {} 0 {} reflns 0}}
685        _reflns_number_total    {{cif_core_2.2.dic 356372 554} {n 0: {} 0 {} reflns 0}}
686        _reflns_observed_criterion      {{cif_core_2.2.dic 357258 187} {c {} {} 0 {} reflns 0}}
687        _reflns_special_details         {{cif_core_2.2.dic 357626 296} {c {} {} 0 {} reflns 0}}
688        _reflns_threshold_expression    {{cif_core_2.2.dic 358258 327} {c {} {} 0 {} reflns 0}}
689        _reflns_class_[]        {{cif_core_2.2.dic 359326 196} {{} {} {} 0 {} category_overview 0}}
690        _reflns_class_code      {{cif_core_2.2.dic 359900 65} {c {} {} 0 {} reflns_class 1}}
691        _reflns_class_description       {{cif_core_2.2.dic 360377 54} {c {} {} 0 {} reflns_class 1}}
692        _reflns_class_d_res_high        {{cif_core_2.2.dic 360827 205} {n 0.0: {} 0 A reflns_class 1}}
693        _reflns_class_d_res_low         {{cif_core_2.2.dic 361426 203} {n 0.0: {} 0 A reflns_class 1}}
694        _reflns_class_number_gt         {{cif_core_2.2.dic 361943 647} {n 0.0: {} 0 {} reflns_class 1}}
695        _reflns_class_number_total      {{cif_core_2.2.dic 362910 579} {n 0.0: {} 0 {} reflns_class 1}}
696        _reflns_class_r_factor_all      {{cif_core_2.2.dic 363865 826} {n 0.0: {} 0 {} reflns_class 1}}
697        _reflns_class_r_factor_gt       {{cif_core_2.2.dic 363865 826} {n 0.0: {} 0 {} reflns_class 1}}
698        _reflns_class_r_fsqd_factor     {{cif_core_2.2.dic 365013 951} {n 0.0: {} 0 {} reflns_class 1}}
699        _reflns_class_r_i_factor        {{cif_core_2.2.dic 366280 739} {n 0.0: {} 0 {} reflns_class 1}}
700        _reflns_class_wr_factor_all     {{cif_core_2.2.dic 367341 885} {n 0.0: {} 0 {} reflns_class 1}}
701        _reflns_scale_[]        {{cif_core_2.2.dic 368946 216} {{} {} {} 0 {} category_overview 0}}
702        _reflns_scale_group_code        {{cif_core_2.2.dic 369482 234} {c {} {} 0 {} reflns_scale 1}}
703        _reflns_scale_meas_f    {{cif_core_2.2.dic 370190 65} {n 0.0: {} 1 {} reflns_scale 1}}
704        _reflns_scale_meas_f_squared    {{cif_core_2.2.dic 370190 65} {n 0.0: {} 1 {} reflns_scale 1}}
705        _reflns_scale_meas_intensity    {{cif_core_2.2.dic 370190 65} {n 0.0: {} 1 {} reflns_scale 1}}
706        _reflns_shell_[]        {{cif_core_2.2.dic 371370 207} {{} {} {} 0 {} category_overview 0}}
707        _reflns_shell_d_res_high        {{cif_core_2.2.dic 371919 159} {n 0.0: {} 0 A reflns_shell 1}}
708        _reflns_shell_d_res_low         {{cif_core_2.2.dic 372418 157} {n 0.0: {} 0 A reflns_shell 1}}
709        _reflns_shell_meani_over_sigi_all       {{cif_core_2.2.dic 372925 225} {n {} {} 0 {} reflns_shell 1}}
710        _reflns_shell_meani_over_sigi_gt        {{cif_core_2.2.dic 373497 334} {n {} {} 0 {} reflns_shell 1}}
711        _reflns_shell_meani_over_sigi_obs       {{cif_core_2.2.dic 374182 324} {n {} {} 0 {} reflns_shell 1}}
712        _reflns_shell_meani_over_ui_all         {{cif_core_2.2.dic 374856 225} {n {} {} 0 {} reflns_shell 1}}
713        _reflns_shell_meani_over_ui_gt  {{cif_core_2.2.dic 375499 334} {n {} {} 0 {} reflns_shell 1}}
714        _reflns_shell_number_measured_all       {{cif_core_2.2.dic 376116 99} {n 0.0: {} 0 {} reflns_shell 1}}
715        _reflns_shell_number_measured_gt        {{cif_core_2.2.dic 376605 165} {n 0.0: {} 0 {} reflns_shell 1}}
716        _reflns_shell_number_measured_obs       {{cif_core_2.2.dic 377159 166} {n 0.0: {} 0 {} reflns_shell 1}}
717        _reflns_shell_number_possible   {{cif_core_2.2.dic 377597 116} {n 0: {} 0 {} reflns_shell 1}}
718        _reflns_shell_number_unique_all         {{cif_core_2.2.dic 377989 178} {n 0: {} 0 {} reflns_shell 1}}
719        _reflns_shell_number_unique_gt  {{cif_core_2.2.dic 378549 241} {n 0: {} 0 {} reflns_shell 1}}
720        _reflns_shell_number_unique_obs         {{cif_core_2.2.dic 379171 242} {n 0: {} 0 {} reflns_shell 1}}
721        _reflns_shell_percent_possible_all      {{cif_core_2.2.dic 379702 166} {n 0.0:100.0 {} 0 {} reflns_shell 1}}
722        _reflns_shell_percent_possible_gt       {{cif_core_2.2.dic 380266 234} {n 0.0:100.0 {} 0 {} reflns_shell 1}}
723        _reflns_shell_percent_possible_obs      {{cif_core_2.2.dic 380897 235} {n 0.0:100.0 {} 0 {} reflns_shell 1}}
724        _reflns_shell_rmerge_f_all      {{cif_core_2.2.dic 381400 560} {n 0.0: {} 0 {} reflns_shell 1}}
725        _reflns_shell_rmerge_f_gt       {{cif_core_2.2.dic 382329 628} {n 0.0: {} 0 {} reflns_shell 1}}
726        _reflns_shell_rmerge_f_obs      {{cif_core_2.2.dic 383325 629} {n 0.0: {} 0 {} reflns_shell 1}}
727        _reflns_shell_rmerge_i_all      {{cif_core_2.2.dic 384222 561} {n 0.0: {} 0 {} reflns_shell 1}}
728        _reflns_shell_rmerge_i_gt       {{cif_core_2.2.dic 385152 629} {n 0.0: {} 0 {} reflns_shell 1}}
729        _reflns_shell_rmerge_i_obs      {{cif_core_2.2.dic 386150 630} {n 0.0: {} 0 {} reflns_shell 1}}
730        _symmetry_[]    {{cif_core_2.2.dic 387484 114} {{} {} {} 0 {} category_overview 0}}
731        _symmetry_cell_setting  {{cif_core_2.2.dic 388126 65} {c {} {{triclinic {}} {monoclinic {}} {orthorhombic {}} {tetragonal {}} {rhombohedral {}} {trigonal {}} {hexagonal {}} {cubic {}}} 0 {} symmetry 0}}
732        _symmetry_int_tables_number     {{cif_core_2.2.dic 388421 112} {n 1:230 {} 0 {} symmetry 0}}
733        _symmetry_space_group_name_hall         {{cif_core_2.2.dic 388870 268} {c {} {} 0 {} symmetry 0}}
734        _symmetry_space_group_name_h-m  {{cif_core_2.2.dic 389486 667} {c {} {} 0 {} symmetry 0}}
735        _symmetry_equiv_[]      {{cif_core_2.2.dic 391535 133} {{} {} {} 0 {} category_overview 0}}
736        _symmetry_equiv_pos_as_xyz      {{cif_core_2.2.dic 391948 433} {c {} {} 0 {} symmetry_equiv 1}}
737        _symmetry_equiv_pos_site_id     {{cif_core_2.2.dic 392675 284} {n {} {} 0 {} symmetry_equiv 1}}
738        _valence_param_[]       {{cif_core_2.2.dic 394122 320} {{} {} {} 0 {} category_overview 0}}
739        _valence_param_atom_1   {{cif_core_2.2.dic 394714 143} {c {} {} 0 {} valence_param 1}}
740        _valence_param_atom_1_valence   {{cif_core_2.2.dic 395146 135} {n {} {} 0 {} valence_param 1}}
741        _valence_param_atom_2   {{cif_core_2.2.dic 395553 144} {c {} {} 0 {} valence_param 1}}
742        _valence_param_atom_2_valence   {{cif_core_2.2.dic 395985 136} {n {} {} 0 {} valence_param 1}}
743        _valence_param_b        {{cif_core_2.2.dic 396460 172} {n {} {} 0 A valence_param 1}}
744        _valence_param_details  {{cif_core_2.2.dic 396906 68} {c {} {} 0 {} valence_param 1}}
745        _valence_param_id       {{cif_core_2.2.dic 397187 107} {c {} {} 0 {} valence_param 1}}
746        _valence_param_ref_id   {{cif_core_2.2.dic 397620 201} {c {} {} 0 {} valence_param 1}}
747        _valence_param_ro       {{cif_core_2.2.dic 398162 184} {n {} {} 0 A valence_param 1}}
748        _valence_ref_[]         {{cif_core_2.2.dic 398577 146} {{} {} {} 0 {} category_overview 0}}
749        _valence_ref_id         {{cif_core_2.2.dic 399034 137} {c {} {} 0 {} valence_ref 1}}
750        _valence_ref_reference  {{cif_core_2.2.dic 399441 130} {c {} {} 0 {} valence_ref 1}}
751}
752set definednames {
753        {_atom_site_[]}
754        _atom_site_adp_type
755        _atom_site_aniso_b_11
756        _atom_site_aniso_b_12
757        _atom_site_aniso_b_13
758        _atom_site_aniso_b_22
759        _atom_site_aniso_b_23
760        _atom_site_aniso_b_33
761        _atom_site_aniso_label
762        _atom_site_aniso_ratio
763        _atom_site_aniso_type_symbol
764        _atom_site_aniso_u_11
765        _atom_site_aniso_u_12
766        _atom_site_aniso_u_13
767        _atom_site_aniso_u_22
768        _atom_site_aniso_u_23
769        _atom_site_aniso_u_33
770        _atom_site_attached_hydrogens
771        _atom_site_b_equiv_geom_mean
772        _atom_site_b_iso_or_equiv
773        _atom_site_calc_attached_atom
774        _atom_site_calc_flag
775        _atom_site_cartn_x
776        _atom_site_cartn_y
777        _atom_site_cartn_z
778        _atom_site_chemical_conn_number
779        _atom_site_constraints
780        _atom_site_description
781        _atom_site_disorder_assembly
782        _atom_site_disorder_group
783        _atom_site_fract_x
784        _atom_site_fract_y
785        _atom_site_fract_z
786        _atom_site_label
787        _atom_site_label_component_0
788        _atom_site_label_component_1
789        _atom_site_label_component_2
790        _atom_site_label_component_3
791        _atom_site_label_component_4
792        _atom_site_label_component_5
793        _atom_site_label_component_6
794        _atom_site_occupancy
795        _atom_site_refinement_flags
796        _atom_site_restraints
797        _atom_site_symmetry_multiplicity
798        _atom_site_thermal_displace_type
799        _atom_site_type_symbol
800        _atom_site_u_equiv_geom_mean
801        _atom_site_u_iso_or_equiv
802        _atom_site_wyckoff_symbol
803        {_atom_sites_[]}
804        _atom_sites_cartn_tran_matrix_11
805        _atom_sites_cartn_tran_matrix_12
806        _atom_sites_cartn_tran_matrix_13
807        _atom_sites_cartn_tran_matrix_21
808        _atom_sites_cartn_tran_matrix_22
809        _atom_sites_cartn_tran_matrix_23
810        _atom_sites_cartn_tran_matrix_31
811        _atom_sites_cartn_tran_matrix_32
812        _atom_sites_cartn_tran_matrix_33
813        _atom_sites_cartn_tran_vector_1
814        _atom_sites_cartn_tran_vector_2
815        _atom_sites_cartn_tran_vector_3
816        _atom_sites_cartn_transform_axes
817        _atom_sites_fract_tran_matrix_11
818        _atom_sites_fract_tran_matrix_12
819        _atom_sites_fract_tran_matrix_13
820        _atom_sites_fract_tran_matrix_21
821        _atom_sites_fract_tran_matrix_22
822        _atom_sites_fract_tran_matrix_23
823        _atom_sites_fract_tran_matrix_31
824        _atom_sites_fract_tran_matrix_32
825        _atom_sites_fract_tran_matrix_33
826        _atom_sites_fract_tran_vector_1
827        _atom_sites_fract_tran_vector_2
828        _atom_sites_fract_tran_vector_3
829        _atom_sites_solution_hydrogens
830        _atom_sites_solution_primary
831        _atom_sites_solution_secondary
832        {_atom_type_[]}
833        _atom_type_analytical_mass_%
834        _atom_type_description
835        _atom_type_number_in_cell
836        _atom_type_oxidation_number
837        _atom_type_radius_bond
838        _atom_type_radius_contact
839        _atom_type_scat_cromer_mann_a1
840        _atom_type_scat_cromer_mann_a2
841        _atom_type_scat_cromer_mann_a3
842        _atom_type_scat_cromer_mann_a4
843        _atom_type_scat_cromer_mann_b1
844        _atom_type_scat_cromer_mann_b2
845        _atom_type_scat_cromer_mann_b3
846        _atom_type_scat_cromer_mann_b4
847        _atom_type_scat_cromer_mann_c
848        _atom_type_scat_dispersion_imag
849        _atom_type_scat_dispersion_real
850        _atom_type_scat_dispersion_source
851        _atom_type_scat_length_neutron
852        _atom_type_scat_source
853        _atom_type_scat_versus_stol_list
854        _atom_type_symbol
855        {_audit_[]}
856        {_audit_author_[]}
857        _audit_author_address
858        _audit_author_name
859        _audit_block_code
860        {_audit_conform_[]}
861        _audit_conform_dict_location
862        _audit_conform_dict_name
863        _audit_conform_dict_version
864        {_audit_contact_author_[]}
865        _audit_contact_author_address
866        _audit_contact_author_email
867        _audit_contact_author_fax
868        _audit_contact_author_name
869        _audit_contact_author_phone
870        _audit_creation_date
871        _audit_creation_method
872        {_audit_link_[]}
873        _audit_link_block_code
874        _audit_link_block_description
875        _audit_update_record
876        {_cell_[]}
877        _cell_angle_alpha
878        _cell_angle_beta
879        _cell_angle_gamma
880        _cell_formula_units_z
881        _cell_length_a
882        _cell_length_b
883        _cell_length_c
884        _cell_measurement_pressure
885        _cell_measurement_radiation
886        {_cell_measurement_refln_[]}
887        _cell_measurement_refln_index_h
888        _cell_measurement_refln_index_k
889        _cell_measurement_refln_index_l
890        _cell_measurement_refln_theta
891        _cell_measurement_reflns_used
892        _cell_measurement_temperature
893        _cell_measurement_theta_max
894        _cell_measurement_theta_min
895        _cell_measurement_wavelength
896        _cell_special_details
897        _cell_volume
898        {_chemical_[]}
899        _chemical_absolute_configuration
900        _chemical_compound_source
901        {_chemical_conn_atom_[]}
902        _chemical_conn_atom_charge
903        _chemical_conn_atom_display_x
904        _chemical_conn_atom_display_y
905        _chemical_conn_atom_nca
906        _chemical_conn_atom_nh
907        _chemical_conn_atom_number
908        _chemical_conn_atom_type_symbol
909        {_chemical_conn_bond_[]}
910        _chemical_conn_bond_atom_1
911        _chemical_conn_bond_atom_2
912        _chemical_conn_bond_type
913        {_chemical_formula_[]}
914        _chemical_formula_analytical
915        _chemical_formula_iupac
916        _chemical_formula_moiety
917        _chemical_formula_structural
918        _chemical_formula_sum
919        _chemical_formula_weight
920        _chemical_formula_weight_meas
921        _chemical_melting_point
922        _chemical_name_common
923        _chemical_name_mineral
924        _chemical_name_structure_type
925        _chemical_name_systematic
926        _chemical_optical_rotation
927        {_citation_[]}
928        _citation_abstract
929        _citation_abstract_id_cas
930        {_citation_author_[]}
931        _citation_author_citation_id
932        _citation_author_name
933        _citation_author_ordinal
934        _citation_book_id_isbn
935        _citation_book_publisher
936        _citation_book_publisher_city
937        _citation_book_title
938        _citation_coordinate_linkage
939        _citation_country
940        _citation_database_id_medline
941        {_citation_editor_[]}
942        _citation_editor_citation_id
943        _citation_editor_name
944        _citation_editor_ordinal
945        _citation_id
946        _citation_journal_abbrev
947        _citation_journal_full
948        _citation_journal_id_astm
949        _citation_journal_id_csd
950        _citation_journal_id_issn
951        _citation_journal_issue
952        _citation_journal_volume
953        _citation_language
954        _citation_page_first
955        _citation_page_last
956        _citation_special_details
957        _citation_title
958        _citation_year
959        {_computing_[]}
960        _computing_cell_refinement
961        _computing_data_collection
962        _computing_data_reduction
963        _computing_molecular_graphics
964        _computing_publication_material
965        _computing_structure_refinement
966        _computing_structure_solution
967        {_database_[]}
968        _database_code_cas
969        _database_code_csd
970        _database_code_icsd
971        _database_code_mdf
972        _database_code_nbs
973        _database_code_pdb
974        _database_code_pdf
975        _database_journal_astm
976        _database_journal_csd
977        {_diffrn_[]}
978        _diffrn_ambient_environment
979        _diffrn_ambient_pressure
980        _diffrn_ambient_temperature
981        {_diffrn_attenuator_[]}
982        _diffrn_attenuator_code
983        _diffrn_attenuator_material
984        _diffrn_attenuator_scale
985        _diffrn_crystal_treatment
986        _diffrn_detector
987        {_diffrn_detector_[]}
988        _diffrn_detector_area_resol_mean
989        _diffrn_detector_details
990        _diffrn_detector_dtime
991        _diffrn_detector_type
992        _diffrn_measured_fraction_theta_full
993        _diffrn_measured_fraction_theta_max
994        {_diffrn_measurement_[]}
995        _diffrn_measurement_details
996        _diffrn_measurement_device
997        _diffrn_measurement_device_details
998        _diffrn_measurement_device_type
999        _diffrn_measurement_method
1000        _diffrn_measurement_specimen_support
1001        {_diffrn_orient_matrix_[]}
1002        _diffrn_orient_matrix_type
1003        _diffrn_orient_matrix_ub_11
1004        _diffrn_orient_matrix_ub_12
1005        _diffrn_orient_matrix_ub_13
1006        _diffrn_orient_matrix_ub_21
1007        _diffrn_orient_matrix_ub_22
1008        _diffrn_orient_matrix_ub_23
1009        _diffrn_orient_matrix_ub_31
1010        _diffrn_orient_matrix_ub_32
1011        _diffrn_orient_matrix_ub_33
1012        {_diffrn_orient_refln_[]}
1013        _diffrn_orient_refln_angle_chi
1014        _diffrn_orient_refln_angle_kappa
1015        _diffrn_orient_refln_angle_omega
1016        _diffrn_orient_refln_angle_phi
1017        _diffrn_orient_refln_angle_psi
1018        _diffrn_orient_refln_angle_theta
1019        _diffrn_orient_refln_index_h
1020        _diffrn_orient_refln_index_k
1021        _diffrn_orient_refln_index_l
1022        {_diffrn_radiation_[]}
1023        _diffrn_radiation_collimation
1024        _diffrn_radiation_detector
1025        _diffrn_radiation_detector_dtime
1026        _diffrn_radiation_filter_edge
1027        _diffrn_radiation_inhomogeneity
1028        _diffrn_radiation_monochromator
1029        _diffrn_radiation_polarisn_norm
1030        _diffrn_radiation_polarisn_ratio
1031        _diffrn_radiation_probe
1032        _diffrn_radiation_source
1033        _diffrn_radiation_type
1034        _diffrn_radiation_wavelength
1035        {_diffrn_radiation_wavelength_[]}
1036        _diffrn_radiation_wavelength_id
1037        _diffrn_radiation_wavelength_wt
1038        _diffrn_radiation_xray_symbol
1039        {_diffrn_refln_[]}
1040        _diffrn_refln_angle_chi
1041        _diffrn_refln_angle_kappa
1042        _diffrn_refln_angle_omega
1043        _diffrn_refln_angle_phi
1044        _diffrn_refln_angle_psi
1045        _diffrn_refln_angle_theta
1046        _diffrn_refln_attenuator_code
1047        _diffrn_refln_class_code
1048        _diffrn_refln_counts_bg_1
1049        _diffrn_refln_counts_bg_2
1050        _diffrn_refln_counts_net
1051        _diffrn_refln_counts_peak
1052        _diffrn_refln_counts_total
1053        _diffrn_refln_crystal_id
1054        _diffrn_refln_detect_slit_horiz
1055        _diffrn_refln_detect_slit_vert
1056        _diffrn_refln_elapsed_time
1057        _diffrn_refln_index_h
1058        _diffrn_refln_index_k
1059        _diffrn_refln_index_l
1060        _diffrn_refln_intensity_net
1061        _diffrn_refln_intensity_sigma
1062        _diffrn_refln_intensity_u
1063        _diffrn_refln_scale_group_code
1064        _diffrn_refln_scan_mode
1065        _diffrn_refln_scan_mode_backgd
1066        _diffrn_refln_scan_rate
1067        _diffrn_refln_scan_time_backgd
1068        _diffrn_refln_scan_width
1069        _diffrn_refln_sint/lambda
1070        _diffrn_refln_standard_code
1071        _diffrn_refln_wavelength
1072        _diffrn_refln_wavelength_id
1073        {_diffrn_reflns_[]}
1074        _diffrn_reflns_av_r_equivalents
1075        _diffrn_reflns_av_sigmai/neti
1076        _diffrn_reflns_av_uneti/neti
1077        {_diffrn_reflns_class_[]}
1078        _diffrn_reflns_class_av_r_eq
1079        _diffrn_reflns_class_av_sgi/i
1080        _diffrn_reflns_class_av_ui/i
1081        _diffrn_reflns_class_code
1082        _diffrn_reflns_class_d_res_high
1083        _diffrn_reflns_class_d_res_low
1084        _diffrn_reflns_class_description
1085        _diffrn_reflns_class_number
1086        _diffrn_reflns_limit_h_max
1087        _diffrn_reflns_limit_h_min
1088        _diffrn_reflns_limit_k_max
1089        _diffrn_reflns_limit_k_min
1090        _diffrn_reflns_limit_l_max
1091        _diffrn_reflns_limit_l_min
1092        _diffrn_reflns_number
1093        _diffrn_reflns_reduction_process
1094        _diffrn_reflns_theta_full
1095        _diffrn_reflns_theta_max
1096        _diffrn_reflns_theta_min
1097        _diffrn_reflns_transf_matrix_11
1098        _diffrn_reflns_transf_matrix_12
1099        _diffrn_reflns_transf_matrix_13
1100        _diffrn_reflns_transf_matrix_21
1101        _diffrn_reflns_transf_matrix_22
1102        _diffrn_reflns_transf_matrix_23
1103        _diffrn_reflns_transf_matrix_31
1104        _diffrn_reflns_transf_matrix_32
1105        _diffrn_reflns_transf_matrix_33
1106        {_diffrn_scale_group_[]}
1107        _diffrn_scale_group_code
1108        _diffrn_scale_group_i_net
1109        _diffrn_source
1110        {_diffrn_source_[]}
1111        _diffrn_source_current
1112        _diffrn_source_details
1113        _diffrn_source_power
1114        _diffrn_source_size
1115        _diffrn_source_target
1116        _diffrn_source_type
1117        _diffrn_source_voltage
1118        _diffrn_special_details
1119        {_diffrn_standard_refln_[]}
1120        _diffrn_standard_refln_code
1121        _diffrn_standard_refln_index_h
1122        _diffrn_standard_refln_index_k
1123        _diffrn_standard_refln_index_l
1124        {_diffrn_standards_[]}
1125        _diffrn_standards_decay_%
1126        _diffrn_standards_interval_count
1127        _diffrn_standards_interval_time
1128        _diffrn_standards_number
1129        _diffrn_standards_scale_sigma
1130        _diffrn_standards_scale_u
1131        _diffrn_symmetry_description
1132        {_exptl_[]}
1133        _exptl_absorpt_coefficient_mu
1134        _exptl_absorpt_correction_t_max
1135        _exptl_absorpt_correction_t_min
1136        _exptl_absorpt_correction_type
1137        _exptl_absorpt_process_details
1138        {_exptl_crystal_[]}
1139        _exptl_crystal_colour
1140        _exptl_crystal_density_diffrn
1141        _exptl_crystal_density_meas
1142        _exptl_crystal_density_meas_temp
1143        _exptl_crystal_density_method
1144        _exptl_crystal_description
1145        _exptl_crystal_f_000
1146        {_exptl_crystal_face_[]}
1147        _exptl_crystal_face_diffr_chi
1148        _exptl_crystal_face_diffr_kappa
1149        _exptl_crystal_face_diffr_phi
1150        _exptl_crystal_face_diffr_psi
1151        _exptl_crystal_face_index_h
1152        _exptl_crystal_face_index_k
1153        _exptl_crystal_face_index_l
1154        _exptl_crystal_face_perp_dist
1155        _exptl_crystal_id
1156        _exptl_crystal_preparation
1157        _exptl_crystal_pressure_history
1158        _exptl_crystal_size_length
1159        _exptl_crystal_size_max
1160        _exptl_crystal_size_mid
1161        _exptl_crystal_size_min
1162        _exptl_crystal_size_rad
1163        _exptl_crystal_thermal_history
1164        _exptl_crystals_number
1165        _exptl_special_details
1166        {_geom_[]}
1167        _geom_angle
1168        {_geom_angle_[]}
1169        _geom_angle_atom_site_label_1
1170        _geom_angle_atom_site_label_2
1171        _geom_angle_atom_site_label_3
1172        _geom_angle_publ_flag
1173        _geom_angle_site_symmetry_1
1174        _geom_angle_site_symmetry_2
1175        _geom_angle_site_symmetry_3
1176        {_geom_bond_[]}
1177        _geom_bond_atom_site_label_1
1178        _geom_bond_atom_site_label_2
1179        _geom_bond_distance
1180        _geom_bond_publ_flag
1181        _geom_bond_site_symmetry_1
1182        _geom_bond_site_symmetry_2
1183        _geom_bond_valence
1184        {_geom_contact_[]}
1185        _geom_contact_atom_site_label_1
1186        _geom_contact_atom_site_label_2
1187        _geom_contact_distance
1188        _geom_contact_publ_flag
1189        _geom_contact_site_symmetry_1
1190        _geom_contact_site_symmetry_2
1191        {_geom_hbond_[]}
1192        _geom_hbond_angle_dha
1193        _geom_hbond_atom_site_label_a
1194        _geom_hbond_atom_site_label_d
1195        _geom_hbond_atom_site_label_h
1196        _geom_hbond_distance_da
1197        _geom_hbond_distance_dh
1198        _geom_hbond_distance_ha
1199        _geom_hbond_publ_flag
1200        _geom_hbond_site_symmetry_a
1201        _geom_hbond_site_symmetry_d
1202        _geom_hbond_site_symmetry_h
1203        _geom_special_details
1204        _geom_torsion
1205        {_geom_torsion_[]}
1206        _geom_torsion_atom_site_label_1
1207        _geom_torsion_atom_site_label_2
1208        _geom_torsion_atom_site_label_3
1209        _geom_torsion_atom_site_label_4
1210        _geom_torsion_publ_flag
1211        _geom_torsion_site_symmetry_1
1212        _geom_torsion_site_symmetry_2
1213        _geom_torsion_site_symmetry_3
1214        _geom_torsion_site_symmetry_4
1215        {_journal_[]}
1216        _journal_coden_astm
1217        _journal_coden_cambridge
1218        _journal_coeditor_address
1219        _journal_coeditor_code
1220        _journal_coeditor_email
1221        _journal_coeditor_fax
1222        _journal_coeditor_name
1223        _journal_coeditor_notes
1224        _journal_coeditor_phone
1225        _journal_data_validation_number
1226        _journal_date_accepted
1227        _journal_date_from_coeditor
1228        _journal_date_printers_final
1229        _journal_date_printers_first
1230        _journal_date_proofs_in
1231        _journal_date_proofs_out
1232        _journal_date_recd_copyright
1233        _journal_date_recd_electronic
1234        _journal_date_recd_hard_copy
1235        _journal_date_to_coeditor
1236        {_journal_index_[]}
1237        _journal_index_subterm
1238        _journal_index_term
1239        _journal_index_type
1240        _journal_issue
1241        _journal_language
1242        _journal_name_full
1243        _journal_page_first
1244        _journal_page_last
1245        _journal_paper_category
1246        _journal_suppl_publ_number
1247        _journal_suppl_publ_pages
1248        _journal_techeditor_address
1249        _journal_techeditor_code
1250        _journal_techeditor_email
1251        _journal_techeditor_fax
1252        _journal_techeditor_name
1253        _journal_techeditor_notes
1254        _journal_techeditor_phone
1255        _journal_volume
1256        _journal_year
1257        {_publ_[]}
1258        {_publ_author_[]}
1259        _publ_author_address
1260        _publ_author_footnote
1261        _publ_author_name
1262        {_publ_body_[]}
1263        _publ_body_contents
1264        _publ_body_element
1265        _publ_body_format
1266        _publ_body_label
1267        _publ_body_title
1268        _publ_contact_author
1269        _publ_contact_author_address
1270        _publ_contact_author_email
1271        _publ_contact_author_fax
1272        _publ_contact_author_name
1273        _publ_contact_author_phone
1274        _publ_contact_letter
1275        _publ_manuscript_creation
1276        {_publ_manuscript_incl_[]}
1277        _publ_manuscript_incl_extra_defn
1278        _publ_manuscript_incl_extra_info
1279        _publ_manuscript_incl_extra_item
1280        _publ_manuscript_processed
1281        _publ_manuscript_text
1282        _publ_requested_category
1283        _publ_requested_coeditor_name
1284        _publ_requested_journal
1285        _publ_section_abstract
1286        _publ_section_acknowledgements
1287        _publ_section_comment
1288        _publ_section_discussion
1289        _publ_section_experimental
1290        _publ_section_exptl_prep
1291        _publ_section_exptl_refinement
1292        _publ_section_exptl_solution
1293        _publ_section_figure_captions
1294        _publ_section_introduction
1295        _publ_section_references
1296        _publ_section_synopsis
1297        _publ_section_table_legends
1298        _publ_section_title
1299        _publ_section_title_footnote
1300        {_refine_[]}
1301        _refine_diff_density_max
1302        _refine_diff_density_min
1303        _refine_diff_density_rms
1304        _refine_ls_abs_structure_details
1305        _refine_ls_abs_structure_flack
1306        _refine_ls_abs_structure_rogers
1307        {_refine_ls_class_[]}
1308        _refine_ls_class_code
1309        _refine_ls_class_d_res_high
1310        _refine_ls_class_d_res_low
1311        _refine_ls_class_r_factor_all
1312        _refine_ls_class_r_factor_gt
1313        _refine_ls_class_r_fsqd_factor
1314        _refine_ls_class_r_i_factor
1315        _refine_ls_class_wr_factor_all
1316        _refine_ls_d_res_high
1317        _refine_ls_d_res_low
1318        _refine_ls_extinction_coef
1319        _refine_ls_extinction_expression
1320        _refine_ls_extinction_method
1321        _refine_ls_goodness_of_fit_all
1322        _refine_ls_goodness_of_fit_gt
1323        _refine_ls_goodness_of_fit_obs
1324        _refine_ls_goodness_of_fit_ref
1325        _refine_ls_hydrogen_treatment
1326        _refine_ls_matrix_type
1327        _refine_ls_number_constraints
1328        _refine_ls_number_parameters
1329        _refine_ls_number_reflns
1330        _refine_ls_number_restraints
1331        _refine_ls_r_factor_all
1332        _refine_ls_r_factor_gt
1333        _refine_ls_r_factor_obs
1334        _refine_ls_r_fsqd_factor
1335        _refine_ls_r_i_factor
1336        _refine_ls_restrained_s_all
1337        _refine_ls_restrained_s_gt
1338        _refine_ls_restrained_s_obs
1339        _refine_ls_shift/esd_max
1340        _refine_ls_shift/esd_mean
1341        _refine_ls_shift/su_max
1342        _refine_ls_shift/su_mean
1343        _refine_ls_structure_factor_coef
1344        _refine_ls_weighting_details
1345        _refine_ls_weighting_scheme
1346        _refine_ls_wr_factor_all
1347        _refine_ls_wr_factor_gt
1348        _refine_ls_wr_factor_obs
1349        _refine_ls_wr_factor_ref
1350        _refine_special_details
1351        {_refln_[]}
1352        _refln_a_calc
1353        _refln_a_meas
1354        _refln_b_calc
1355        _refln_b_meas
1356        _refln_class_code
1357        _refln_crystal_id
1358        _refln_d_spacing
1359        _refln_f_calc
1360        _refln_f_meas
1361        _refln_f_sigma
1362        _refln_f_squared_calc
1363        _refln_f_squared_meas
1364        _refln_f_squared_sigma
1365        _refln_include_status
1366        _refln_index_h
1367        _refln_index_k
1368        _refln_index_l
1369        _refln_intensity_calc
1370        _refln_intensity_meas
1371        _refln_intensity_sigma
1372        _refln_mean_path_length_tbar
1373        _refln_observed_status
1374        _refln_phase_calc
1375        _refln_phase_meas
1376        _refln_refinement_status
1377        _refln_scale_group_code
1378        _refln_sint/lambda
1379        _refln_symmetry_epsilon
1380        _refln_symmetry_multiplicity
1381        _refln_wavelength
1382        _refln_wavelength_id
1383        {_reflns_[]}
1384        {_reflns_class_[]}
1385        _reflns_class_code
1386        _reflns_class_d_res_high
1387        _reflns_class_d_res_low
1388        _reflns_class_description
1389        _reflns_class_number_gt
1390        _reflns_class_number_total
1391        _reflns_class_r_factor_all
1392        _reflns_class_r_factor_gt
1393        _reflns_class_r_fsqd_factor
1394        _reflns_class_r_i_factor
1395        _reflns_class_wr_factor_all
1396        _reflns_d_resolution_high
1397        _reflns_d_resolution_low
1398        _reflns_friedel_coverage
1399        _reflns_limit_h_max
1400        _reflns_limit_h_min
1401        _reflns_limit_k_max
1402        _reflns_limit_k_min
1403        _reflns_limit_l_max
1404        _reflns_limit_l_min
1405        _reflns_number_gt
1406        _reflns_number_observed
1407        _reflns_number_total
1408        _reflns_observed_criterion
1409        {_reflns_scale_[]}
1410        _reflns_scale_group_code
1411        _reflns_scale_meas_f
1412        _reflns_scale_meas_f_squared
1413        _reflns_scale_meas_intensity
1414        {_reflns_shell_[]}
1415        _reflns_shell_d_res_high
1416        _reflns_shell_d_res_low
1417        _reflns_shell_meani_over_sigi_all
1418        _reflns_shell_meani_over_sigi_gt
1419        _reflns_shell_meani_over_sigi_obs
1420        _reflns_shell_meani_over_ui_all
1421        _reflns_shell_meani_over_ui_gt
1422        _reflns_shell_number_measured_all
1423        _reflns_shell_number_measured_gt
1424        _reflns_shell_number_measured_obs
1425        _reflns_shell_number_possible
1426        _reflns_shell_number_unique_all
1427        _reflns_shell_number_unique_gt
1428        _reflns_shell_number_unique_obs
1429        _reflns_shell_percent_possible_all
1430        _reflns_shell_percent_possible_gt
1431        _reflns_shell_percent_possible_obs
1432        _reflns_shell_rmerge_f_all
1433        _reflns_shell_rmerge_f_gt
1434        _reflns_shell_rmerge_f_obs
1435        _reflns_shell_rmerge_i_all
1436        _reflns_shell_rmerge_i_gt
1437        _reflns_shell_rmerge_i_obs
1438        _reflns_special_details
1439        _reflns_threshold_expression
1440        {_symmetry_[]}
1441        _symmetry_cell_setting
1442        {_symmetry_equiv_[]}
1443        _symmetry_equiv_pos_as_xyz
1444        _symmetry_equiv_pos_site_id
1445        _symmetry_int_tables_number
1446        _symmetry_space_group_name_h-m
1447        _symmetry_space_group_name_hall
1448        {_valence_param_[]}
1449        _valence_param_atom_1
1450        _valence_param_atom_1_valence
1451        _valence_param_atom_2
1452        _valence_param_atom_2_valence
1453        _valence_param_b
1454        _valence_param_details
1455        _valence_param_id
1456        _valence_param_ref_id
1457        _valence_param_ro
1458        {_valence_ref_[]}
1459        _valence_ref_id
1460        _valence_ref_reference
1461}
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