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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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1	set CIF_file_name cif_core_2.2.dic
2	set CIF_file_size 399651
3	set CIF_index_version 1.1
4	set CIF_file_mtime 1021461480
5	array 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}}
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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}}
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227	_citation_page_last {{cif_core_2.2.dic 132112 128} {c {} {} 0 {} citation 1}}
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231	_citation_author_[] {{cif_core_2.2.dic 135363 176} {{} {} {} 0 {} category_overview 0}}
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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}}
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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}}
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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}}
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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}}
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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	}
752	set 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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