LMucko/crystallography-open-database huggingface dataset:
Structure of pentafluorophenyl isocyanide at 115 K
Lentz, D.; Preugschat, D.; Acta Crystallographica Section C 49 (1993) 52–54; doi:10.1107/S0108270192006462

data_2002043
_publ_section_title
;
 Structure of pentafluorophenyl isocyanide at 115 K
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              52
_journal_page_last               54
_journal_paper_doi               10.1107/S0108270192006462
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C7 F5 N'
_chemical_formula_weight         193.08
_space_group_crystal_system      orthorhombic
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.611(3)
_cell_length_b                   9.427(5)
_cell_length_c                   18.603(14)
_cell_volume                     1334.7(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.156
_exptl_crystal_density_diffrn    1.92
_exptl_crystal_F_000             752
_cod_data_source_file            sh1000.cif
_cod_data_source_block           sh1000_structure_1_of_1
_cod_original_cell_volume        1334
_cod_original_sg_symbol_H-M      'C mca'
_cod_original_formula_sum        'C7 F5 N1'
_cod_database_code               2002043
Structures of two diastereomers of 1-(α-hydroxy-<i>m</i>-methoxybenzyl)-1-(phenylsulfinyl)cyclopropane
Thinapong, P.; Pohmakotr, M.; Skelton, B.; White, A. H.; Acta Crystallographica Section C 49 (1993) 54–57; doi:10.1107/S0108270192004529

data_2002044
_publ_section_title
;
 Structures of two diastereomers of
 1-(\a-hydroxy-<i>m</i>-methoxybenzyl)-1-(phenylsulfinyl)cyclopropane
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              54
_journal_page_last               57
_journal_paper_doi               10.1107/S0108270192004529
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C17 H18 O3 S'
_chemical_formula_weight         302.4
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.0730(10)
_cell_length_b                   17.340(3)
_cell_length_c                   7.2990(10)
_cell_volume                     2920.2(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.18
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_F_000             1280
_cod_data_source_file            as0338.cif
_cod_data_source_block           as0338_structure_1_of_2
_cod_original_cell_volume        2920
_cod_original_formula_sum        'C17 H18 O3 S1'
_cod_database_code               2002044
Structures of two diastereomers of 1-(α-hydroxy-<i>m</i>-methoxybenzyl)-1-(phenylsulfinyl)cyclopropane
Thinapong, P.; Pohmakotr, M.; Skelton, B.; White, A. H.; Acta Crystallographica Section C 49 (1993) 54–57; doi:10.1107/S0108270192004529

data_2002045
_publ_section_title
;
 Structures of two diastereomers of
 1-(\a-hydroxy-<i>m</i>-methoxybenzyl)-1-(phenylsulfinyl)cyclopropane
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              54
_journal_page_last               57
_journal_paper_doi               10.1107/S0108270192004529
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C17 H18 O3 S'
_chemical_formula_weight         302.4
_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                56.67(3)
_cell_angle_beta                 55.68(5)
_cell_angle_gamma                69.65(5)
_cell_formula_units_Z            2
_cell_length_a                   9.873(9)
_cell_length_b                   10.009(5)
_cell_length_c                   11.024(7)
_cell_volume                     750.6(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.18
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_F_000             320
_cod_data_source_file            as0338.cif
_cod_data_source_block           as0338_structure_2_of_2
_cod_original_cell_volume        750
_cod_original_formula_sum        'C17 H18 O3 S1'
_cod_database_code               2002045
Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.; Acta Crystallographica Section C 49 (1993) 57–62; doi:10.1107/S0108270192005936

data_2002046
_publ_section_title
;
 Structures of four tricyclo[3.3.0.0^3,7^]octanes and a
 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              57
_journal_page_last               62
_journal_paper_doi               10.1107/S0108270192005936
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C12 H17 N O'
_chemical_formula_weight         191.27
_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                 95.070(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.213(2)
_cell_length_b                   6.1680(10)
_cell_length_c                   15.268(3)
_cell_volume                     1051.8(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.071
_exptl_crystal_density_diffrn    1.21
_exptl_crystal_F_000             416
_cod_data_source_file            sh1003.cif
_cod_data_source_block           sh1003_structure_1_of_5
_cod_original_cell_volume        1051.8(6)
_cod_original_formula_sum        'C12 H17 N1 O1'
_cod_database_code               2002046
Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.; Acta Crystallographica Section C 49 (1993) 57–62; doi:10.1107/S0108270192005936

data_2002047
_publ_section_title
;
 Structures of four tricyclo[3.3.0.0^3,7^]octanes and a
 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              57
_journal_page_last               62
_journal_paper_doi               10.1107/S0108270192005936
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C14 H18 O'
_chemical_formula_weight         202.30
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.570(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5320(10)
_cell_length_b                   9.2180(10)
_cell_length_c                   13.496(2)
_cell_volume                     1175.5(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.065
_exptl_crystal_density_diffrn    1.14
_exptl_crystal_F_000             440
_cod_data_source_file            sh1003.cif
_cod_data_source_block           sh1003_structure_2_of_5
_cod_original_cell_volume        1175.5(5)
_cod_original_formula_sum        'C14 H18 O1'
_cod_database_code               2002047
Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.; Acta Crystallographica Section C 49 (1993) 57–62; doi:10.1107/S0108270192005936

data_2002048
_publ_section_title
;
 Structures of four tricyclo[3.3.0.0^3,7^]octanes and a
 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              57
_journal_page_last               62
_journal_paper_doi               10.1107/S0108270192005936
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C17 H24 O'
_chemical_formula_weight         244.38
_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                 93.240(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6180(10)
_cell_length_b                   22.054(5)
_cell_length_c                   7.8710(10)
_cell_volume                     1493.6(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.061
_exptl_crystal_density_diffrn    1.09
_exptl_crystal_F_000             536
_cod_data_source_file            sh1003.cif
_cod_data_source_block           sh1003_structure_3_of_5
_cod_original_cell_volume        1493.6(7)
_cod_original_formula_sum        'C17 H24 O1'
_cod_database_code               2002048
Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.; Acta Crystallographica Section C 49 (1993) 57–62; doi:10.1107/S0108270192005936

data_2002049
_publ_section_title
;
 Structures of four tricyclo[3.3.0.0^3,7^]octanes and a
 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              57
_journal_page_last               62
_journal_paper_doi               10.1107/S0108270192005936
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C18 H24 O'
_chemical_formula_weight         256.39
_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                 96.10(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.796(3)
_cell_length_b                   11.483(2)
_cell_length_c                   11.312(2)
_cell_volume                     1523.6(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.062
_exptl_crystal_density_diffrn    1.12
_exptl_crystal_F_000             560
_cod_data_source_file            sh1003.cif
_cod_data_source_block           sh1003_structure_4_of_5
_cod_original_cell_volume        1523.6(7)
_cod_original_formula_sum        'C18 H24 O1'
_cod_database_code               2002049
Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.; Acta Crystallographica Section C 49 (1993) 57–62; doi:10.1107/S0108270192005936

data_2002050
_publ_section_title
;
 Structures of four tricyclo[3.3.0.0^3,7^]octanes and a
 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              57
_journal_page_last               62
_journal_paper_doi               10.1107/S0108270192005936
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C17 H24 O'
_chemical_formula_weight         244.38
_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                91.14(2)
_cell_angle_beta                 100.51(2)
_cell_angle_gamma                70.34(2)
_cell_formula_units_Z            2
_cell_length_a                   9.675(2)
_cell_length_b                   12.997(2)
_cell_length_c                   6.4540(10)
_cell_volume                     750.7(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.06
_exptl_crystal_density_diffrn    1.08
_exptl_crystal_F_000             268
_cod_data_source_file            sh1003.cif
_cod_data_source_block           sh1003_structure_5_of_5
_cod_original_formula_sum        'C17 H24 O1'
_cod_database_code               2002050
Structure of pregna-4,16-diene-7α,14α-diol-3,20-dione
Dastidar, P.; Joseph, T.; Madyastha, K. M.; Guru Row, T. N.; Acta Crystallographica Section C 49 (1993) 62–64; doi:10.1107/S0108270192004566

data_2002051
_publ_section_title
;
 Structure of pregna-4,16-diene-7\a,14\a-diol-3,20-dione
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              62
_journal_page_last               64
_journal_paper_doi               10.1107/S0108270192004566
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C21 H28 O4'
_chemical_formula_weight         344.45
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.1360(10)
_cell_length_b                   12.3420(10)
_cell_length_c                   20.049(3)
_cell_volume                     1765.8(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.67
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_F_000             744
_cod_data_source_file            li1003.cif
_cod_data_source_block           li1003_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        1765.7(3)
_cod_original_sg_symbol_H-M      'P 212121'
_cod_database_code               2002051
Structure of 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium chloride
Shin, W.; Chae, C. H.; Acta Crystallographica Section C 49 (1993) 68–70; doi:10.1107/S0108270192005638

data_2002052
_publ_section_title
;
 Structure of 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium
 chloride
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              68
_journal_page_last               70
_journal_paper_doi               10.1107/S0108270192005638
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C13 H16 N1 O1 S1,Cl1'
_chemical_formula_sum            'C13 H16 Cl N O S'
_chemical_formula_weight         269.79
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                73.870(10)
_cell_angle_beta                 74.470(10)
_cell_angle_gamma                87.790(10)
_cell_formula_units_Z            2
_cell_length_a                   6.9540(10)
_cell_length_b                   9.0490(10)
_cell_length_c                   11.541(2)
_cell_volume                     671.67(18)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    3.85
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_F_000             284
_cod_data_source_file            hh1001.cif
_cod_data_source_block           hh1001_structure_1_of_1
_cod_depositor_comments
;
 Changing the space group from 'P 1' to '-P 1' after consulting the original
 publication.

 Antanas Vaitkus,
 2017-09-12
;
_cod_original_cell_volume        671.70(10)
_cod_original_sg_symbol_Hall     'P 1'
_cod_original_sg_symbol_H-M      'P 1'
_cod_original_formula_sum        'C13 H16 Cl1 N1 O1 S1'
_cod_database_code               2002052
Structure of a chalcone
Alex, G.; Srinivasan, S.; Krishnasamy, V.; Suresh, R. V.; Iyer, R.; Iyer, P. R.; Acta Crystallographica Section C 49 (1993) 70–72; doi:10.1107/S0108270192006152

data_2002053
_publ_section_title
;
 Structure of a chalcone
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              70
_journal_page_last               72
_journal_paper_doi               10.1107/S0108270192006152
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C20 H20 O3'
_chemical_formula_weight         308.38
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.24(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.002(2)
_cell_length_b                   11.013(2)
_cell_length_c                   12.652(3)
_cell_volume                     1605.6(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.079
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_density_meas      1.26(2)
_exptl_crystal_F_000             656
_cod_data_source_file            cd0080.cif
_cod_data_source_block           cd0080_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-17
;
_cod_original_cell_volume        1605.6
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2002053
Structure of 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-dicyanomethoxy-26,28-dimethoxycalix[4]arene
Guelzim, A.; Khrifi, S.; Baert, F.; Loeber, C.; Asfari, Z.; Matt, D.; Vicens, J.; Acta Crystallographica Section C 49 (1993) 72–75; doi:10.1107/S0108270192007005

data_2002054
_publ_section_title
;Structure of
 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-dicyanomethoxy-26,28-dimethoxycalix[4]arene
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              72
_journal_page_last               75
_journal_paper_doi               10.1107/S0108270192007005
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C50 H62 N2 O4'
_chemical_formula_weight         755.1
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.380(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.6590(10)
_cell_length_b                   16.5910(10)
_cell_length_c                   37.558(5)
_cell_volume                     9134.2(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.037
_exptl_crystal_density_diffrn    1.098
_exptl_crystal_F_000             3264
_cod_data_source_file            pa1003.cif
_cod_data_source_block           pa1003_structure_1_of_1
_cod_original_cell_volume        9134.19
_cod_database_code               2002054
Structure of dimethyl (2<i>R</i>,3<i>R</i>)-2-{[(<i>S</i>)-bromo(cyclohexyl)methyl]oxy}-3-[(diphenylboryl)oxy]-1,4-butanedioate
Drouin, M.; Michel, A. G.; Guindon, Y.; Ogilvie, W.; Acta Crystallographica Section C 49 (1993) 75–77; doi:10.1107/S0108270192005973

data_2002055
_publ_section_title
;Structure of dimethyl
 (2<i>R</i>,3<i>R</i>)-2-{[(<i>S</i>)-bromo(cyclohexyl)methyl]oxy}-3-[(diphenylboryl)oxy]-1,4-butanedioate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              75
_journal_page_last               77
_journal_paper_doi               10.1107/S0108270192005973
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C25 H30 B Br O6'
_chemical_formula_weight         517.23
_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                 96.241(14)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.1584(14)
_cell_length_b                   6.910(3)
_cell_length_c                   20.224(4)
_cell_volume                     1272.3(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.63
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_F_000             535.62
_cod_data_source_file            br1003.cif
_cod_data_source_block           br1003_structure_1_of_1
_cod_original_formula_sum        'C25 H30 B1 Br1 O6'
_cod_database_code               2002055
Structure of 2CaO.B~2~O~3~
Ji, Y.; Liang, J.; Xie, S.; Zhu, N.; Li, Y.; Acta Crystallographica Section C 49 (1993) 78–79; doi:10.1107/S0108270192002130

data_2002056
_publ_section_title
;
 Structure of 2CaO.B~2~O~3~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              78
_journal_page_last               79
_journal_paper_doi               10.1107/S0108270192002130
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'B2 Ca2 O5'
_chemical_formula_weight         181.777
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.94(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.234(3)
_cell_length_b                   5.1810(10)
_cell_length_c                   11.524(3)
_cell_volume                     431.3(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.411
_exptl_crystal_density_diffrn    2.80
_exptl_crystal_F_000             360
_cod_data_source_file            ab0264.cif
_cod_data_source_block           ab0264_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        431.41
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2002056