LMucko/crystallography-open-database huggingface dataset:
Structure of <i>p</i>-<i>tert</i>-butylhexahomotrioxacalix[3]arene
Suzuki, K.; Minami, H.; Yamagata, Y.; Fujii, S.; Tomita, K.; Asfari, Z.; Vicens, J.; Acta Crystallographica Section C 48 (1992) 350–352; doi:10.1107/S0108270191010399

data_2001061
_publ_section_title
;
 Structure of <i>p</i>-<i>tert</i>-butylhexahomotrioxacalix[3]arene
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              350
_journal_page_last               352
_journal_paper_doi               10.1107/S0108270191010399
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C36 H54 O6'
_chemical_formula_weight         582.8
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3480(10)
_cell_length_b                   16.604(2)
_cell_length_c                   21.992(3)
_cell_volume                     3413.5(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.56
_exptl_crystal_density_diffrn    1.13
_exptl_crystal_F_000             1056
_cod_data_source_file            as0508.cif
_cod_data_source_block           as0508a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-17
;
_cod_original_cell_volume        3413.5(8)
_cod_database_code               2001061
6-(2,6-Dimethylphenylimino)-1,1,1-tris[(2,6-dimethylphenyl)isocyano]-10-methoxycarbonyl-8-oxo-2,5-bis(2-propyl)-9-oxa-2,5-diaza-1-ferratricyclo[5.2.1.0^4,10^]dec-2-ene
Goubitz, K.; Schenk, H.; Acta Crystallographica Section C 48 (1992) 359–361; doi:10.1107/S0108270191009472

data_2001062
_publ_section_title
;
 6-(2,6-Dimethylphenylimino)-1,1,1-tris[(2,6-dimethylphenyl)isocyano]-10-methoxycarbonyl-8-oxo-2,5-bis(2-propyl)-9-oxa-2,5-diaza-1-ferratricyclo[5.2.1.0^4,10^]dec-2-ene
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              359
_journal_page_last               361
_journal_paper_doi               10.1107/S0108270191009472
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C49 H56 Fe N6 O4'
_chemical_formula_weight         848.9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.60(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.47(3)
_cell_length_b                   19.749(2)
_cell_length_c                   17.50(2)
_cell_volume                     4681(12)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    2.95
_exptl_crystal_density_diffrn    1.2
_exptl_crystal_F_000             1800
_cod_data_source_file            mu0257.cif
_cod_data_source_block           mu0257a
_cod_original_formula_sum        'C49 H56 Fe1 N6 O4'
_cod_database_code               2001062
Structure of <i>trans</i>-di-μ-chloro-dichlorobis(triphenylphosphite)dipalladium
Grigsby, W. J.; Nicholson, B. K.; Acta Crystallographica Section C 48 (1992) 362–364; doi:10.1107/S0108270191009885

data_2001063
_publ_section_title
;
 Structure of
 <i>trans</i>-di-\m-chloro-dichlorobis(triphenylphosphite)dipalladium
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              362
_journal_page_last               364
_journal_paper_doi               10.1107/S0108270191009885
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C36 H30 Cl4 O6 P2 Pd2'
_chemical_formula_weight         975.19
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.040(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.034(2)
_cell_length_b                   16.278(2)
_cell_length_c                   13.129(2)
_cell_volume                     1987.7(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.277
_exptl_crystal_density_diffrn    1.63
_exptl_crystal_F_000             968
_cod_data_source_file            al0489.cif
_cod_data_source_block           al0489a
_cod_original_cell_volume        1987.5(5)
_cod_database_code               2001063
Diaqua-<i>N</i>,<i>N</i>'-trimethylenebis(5'-chlorosalicylideneaminato)manganese(III) perchlorate monohydrate: a Schiff-base complex linked into infinite spirals by hydrogen and π bonds
McAuliffe, C. A.; Pritchard, R. G.; Garcia-Deibe, A.; Sousa, A.; Bermejo, M. R.; Acta Crystallographica Section C 48 (1992) 364–366; doi:10.1107/S0108270191009903

data_2001064
_publ_section_title
;Diaqua-<i>N</i>,<i>N</i>'-trimethylenebis(5'-chlorosalicylideneaminato)manganese(III)
 perchlorate monohydrate: a Schiff-base complex linked into infinite spirals
 by hydrogen and \p bonds
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              364
_journal_page_last               366
_journal_paper_doi               10.1107/S0108270191009903
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C17 H18 Cl2 Mn1 N2 O4,Cl1 O4,H2 O1'
_chemical_formula_sum            'C17 H20 Cl3 Mn N2 O9'
_chemical_formula_weight         557.65
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.6500(10)
_cell_length_b                   20.784(9)
_cell_length_c                   7.773(2)
_cell_volume                     2205.2(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.992
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_F_000             1136
_cod_data_source_file            al0491.cif
_cod_data_source_block           al0491a
_cod_original_cell_volume        2205(2)
_cod_original_formula_sum        'C17 H20 Cl3 Mn1 N2 O9'
_cod_database_code               2001064
Bis(4-methylbenzenecyanamidosulfonato)dipyridinecopper(II)
Kožíšek, J.; Köhler, H.; Freude, B.; Acta Crystallographica Section C 48 (1992) 368–369; doi:10.1107/S0108270191009484

data_2001065
_publ_section_title
;
 Bis(4-methylbenzenecyanamidosulfonato)dipyridinecopper(II)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              368
_journal_page_last               369
_journal_paper_doi               10.1107/S0108270191009484
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C26 H24 Cu N6 O4 S2'
_chemical_formula_weight         612.2
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.55(5)
_cell_angle_beta                 97.15(5)
_cell_angle_gamma                109.06(4)
_cell_formula_units_Z            1
_cell_length_a                   7.150(4)
_cell_length_b                   9.314(5)
_cell_length_c                   10.523(7)
_cell_volume                     653.3(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.04
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_F_000             315
_cod_data_source_file            mu0282.cif
_cod_data_source_block           mu0282a
_cod_original_formula_sum        'C26 H24 Cu1 N6 O4 S2'
_cod_database_code               2001065
Structure of a densely oxygenated carbocycle
Abboud, K. A.; Enholm, E. J.; Trivellas, A.; Acta Crystallographica Section C 48 (1992) 370–372; doi:10.1107/S0108270191008879

data_2001066
_publ_section_title
;
 Structure of a densely oxygenated carbocycle
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              370
_journal_page_last               372
_journal_paper_doi               10.1107/S0108270191008879
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C23 H42 O7 Si'
_chemical_formula_weight         458.75
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.39(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.537(2)
_cell_length_b                   8.552(2)
_cell_length_c                   13.916(4)
_cell_volume                     1371.8(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.12
_exptl_crystal_density_diffrn    1.11
_exptl_crystal_F_000             500
_cod_data_source_file            st0530.cif
_cod_data_source_block           st0530a
_cod_original_cell_volume        1371.8(5)
_cod_original_formula_sum        'C23 H42 O7 Si1'
_cod_database_code               2001066
Structures of a pair of diastereomeric salts of ephedrine and bromo-substituted cyclic phosphoric acid
Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; Smits, J. M. M.; Acta Crystallographica Section C 48 (1992) 372–376; doi:10.1107/S010827019100906X

data_2001067
_publ_section_title
;
 Structures of a pair of diastereomeric salts of ephedrine and
 bromo-substituted cyclic phosphoric acid
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              372
_journal_page_last               376
_journal_paper_doi               10.1107/S010827019100906X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C11 H13 Br1 O4 P1,C10 H16 N1 O1'
_chemical_formula_sum            'C21 H29 Br N O5 P'
_chemical_formula_weight         486.341
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.331(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.3540(3)
_cell_length_b                   8.1671(2)
_cell_length_c                   10.4791(3)
_cell_volume                     1142.58(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    3.3910
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_F_000             503.93
_cod_data_source_file            ab0223.cif
_cod_data_source_block           ab0223a
_cod_original_formula_sum        'C21 H29 Br1 N1 O5 P1'
_cod_database_code               2001067
Structures of a pair of diastereomeric salts of ephedrine and bromo-substituted cyclic phosphoric acid
Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; Smits, J. M. M.; Acta Crystallographica Section C 48 (1992) 372–376; doi:10.1107/S010827019100906X

data_2001068
_publ_section_title
;
 Structures of a pair of diastereomeric salts of ephedrine and
 bromo-substituted cyclic phosphoric acid
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              372
_journal_page_last               376
_journal_paper_doi               10.1107/S010827019100906X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C11 H13 Br1 O4 P1,C10 H16 N1 O1,2(H2 O1)'
_chemical_formula_sum            'C21 H33 Br N O7 P'
_chemical_formula_weight         522.372
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.013(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.9469(9)
_cell_length_b                   7.7456(3)
_cell_length_c                   15.7571(5)
_cell_volume                     2500.54(17)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    3.1931
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_F_000             1087.86
_cod_data_source_file            ab0223.cif
_cod_data_source_block           ab0223b
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_cell_volume        2500.5(2)
_cod_original_formula_sum        'C21 H33 Br1 N1 O7 P1'
_cod_database_code               2001068
5-Methoxy-2-(2-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one (2,5'-dimethoxyflavone)
Wallet, J. C.; Gaydou, E. M.; Tinant, B.; Declercq, J.-P.; Baldy, A.; Acta Crystallographica Section C 48 (1992) 376–377; doi:10.1107/S0108270191008557

data_2001069
_publ_section_title
;
 5-Methoxy-2-(2-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one
 (2,5'-dimethoxyflavone)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              376
_journal_page_last               377
_journal_paper_doi               10.1107/S0108270191008557
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H14 O4'
_chemical_formula_weight         282.30
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.250(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4020(10)
_cell_length_b                   12.466(2)
_cell_length_c                   14.619(2)
_cell_volume                     1338.2(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.834
_exptl_crystal_density_diffrn    1.40
_exptl_crystal_F_000             592
_cod_data_source_file            ha0073.cif
_cod_data_source_block           ha0073a
_cod_database_code               2001069
5-Hydroxy-5-methylsydno[3,4-<i>a</i>]indole
Grossie, D. A.; Turnbull, K.; Acta Crystallographica Section C 48 (1992) 377–379; doi:10.1107/S0108270191009125

data_2001070
_publ_section_title
;
 5-Hydroxy-5-methylsydno[3,4-<i>a</i>]indole
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              377
_journal_page_last               379
_journal_paper_doi               10.1107/S0108270191009125
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H8 N2 O3'
_chemical_formula_weight         204.18
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.10(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.702(4)
_cell_length_b                   12.063(2)
_cell_length_c                   9.711(4)
_cell_volume                     923.1(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.104
_exptl_crystal_density_diffrn    1.47
_exptl_crystal_F_000             424
_cod_data_source_file            st0533.cif
_cod_data_source_block           st0533a
_cod_database_code               2001070
Structure of the anti-malarial drug primaquine diphosphate
Rubin, J. R.; Swaminathan, P.; Sundaralingam, M.; Acta Crystallographica Section C 48 (1992) 379–382; doi:10.1107/S0108270191008831

data_2001071
_publ_section_title
;
 Structure of the anti-malarial drug primaquine diphosphate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              379
_journal_page_last               382
_journal_paper_doi               10.1107/S0108270191008831
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C15 H23 N3 O1,2(H2 P1 O4)'
_chemical_formula_sum            'C15 H27 N3 O9 P2'
_chemical_formula_weight         455.35
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.57(2)
_cell_angle_beta                 100.21(3)
_cell_angle_gamma                77.01(2)
_cell_formula_units_Z            2
_cell_length_a                   7.389(6)
_cell_length_b                   8.862(4)
_cell_length_c                   16.055(10)
_cell_volume                     1003.5(11)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    2.448
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_density_meas      1.495
_exptl_crystal_F_000             480
_cod_data_source_file            cr0331.cif
_cod_data_source_block           cr0331a
_cod_depositor_comments
;
 Correcting a typo in an atom site label by changing it from 'N2(19)'
 to 'H2(N19)'.

 Antanas Vaitkus,
 2017-03-23
;
_cod_original_cell_volume        1003.6(5)
_cod_database_code               2001071
Structure of 2-chloro-7,12-dihydropyrido[3,2-<i>b</i>:5,4-<i>b</i>']diindole
Szkaradzinska, M. B.; Roszak, A. W.; Trudell, M. L.; Cook, J. M.; Codding, P. W.; Acta Crystallographica Section C 48 (1992) 382–384; doi:10.1107/S0108270191009733

data_2001072
_publ_section_title
;
 Structure of
 2-chloro-7,12-dihydropyrido[3,2-<i>b</i>:5,4-<i>b</i>']diindole
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              382
_journal_page_last               384
_journal_paper_doi               10.1107/S0108270191009733
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H10 Cl N3'
_chemical_formula_weight         291.74
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120.0000
_cell_formula_units_Z            3
_cell_length_a                   8.3291(5)
_cell_length_b                   8.3291(5)
_cell_length_c                   17.1142(14)
_cell_volume                     1028.21(12)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    2.44
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_F_000             450
_cod_data_source_file            cr0358.cif
_cod_data_source_block           cr0358a
_cod_original_cell_volume        1028.20(10)
_cod_original_formula_sum        'C17 H10 Cl1 N3'
_cod_database_code               2001072
Structure of 1-(β-<small>D</small>-arabinofuranosyl)-6-methylcytosine
Yamaguchi, K.; Matsumura, G.; Shimizu, M.; Tanaka, H.; Miyasaka, T.; Acta Crystallographica Section C 48 (1992) 384–385; doi:10.1107/S0108270191008739

data_2001073
_publ_section_title
;
 Structure of 1-(\b-<small>D</small>-arabinofuranosyl)-6-methylcytosine
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              384
_journal_page_last               385
_journal_paper_doi               10.1107/S0108270191008739
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H15 N3 O5'
_chemical_formula_weight         257.25
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.235(2)
_cell_length_b                   10.8330(10)
_cell_length_c                   10.129(3)
_cell_volume                     1123.1(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54050
_exptl_absorpt_coefficient_mu    1.002
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_F_000             544
_cod_data_source_file            as0513.cif
_cod_data_source_block           as0513a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19
;
_cod_original_cell_volume        1123.0(3)
_cod_database_code               2001073
Structure of 7-ethylamino-6-methyl-4-trifluoromethylcoumarin
Chinnakali, K.; Sivakumar, K.; Natarajan, S.; Mathews, I. I.; Acta Crystallographica Section C 48 (1992) 386–387; doi:10.1107/S0108270191008478

data_2001074
_publ_section_title
;
 Structure of 7-ethylamino-6-methyl-4-trifluoromethylcoumarin
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              386
_journal_page_last               387
_journal_paper_doi               10.1107/S0108270191008478
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C13 H12 F3 N O2'
_chemical_formula_weight         271.2
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.98(2)
_cell_angle_beta                 95.54(3)
_cell_angle_gamma                103.62(3)
_cell_formula_units_Z            2
_cell_length_a                   5.029(2)
_cell_length_b                   7.479(2)
_cell_length_c                   17.073(5)
_cell_volume                     612.4(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.123
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_meas      1.463
_exptl_crystal_F_000             280
_cod_data_source_file            mu0271.cif
_cod_data_source_block           mu0271a
_cod_original_formula_sum        'C13 H12 F3 N1 O2'
_cod_database_code               2001074