LMucko/crystallography-open-database huggingface dataset:
Structure of wigandol
Toscano, R. A.; Quijano, L.; Gómez, F.; García-Pérez, G.; Rios, T.; Acta Crystallographica Section C 48 (1992) 2000–2002; doi:10.1107/S010827019200307X

data_2000451
_publ_section_title
;
 Structure of wigandol
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2000
_journal_page_last               2002
_journal_paper_doi               10.1107/S010827019200307X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H22 O3'
_chemical_formula_weight         286.4
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.39(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.828(5)
_cell_length_b                   8.364(2)
_cell_length_c                   21.508(4)
_cell_volume                     3163.9(14)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.609
_exptl_crystal_density_diffrn    1.20
_exptl_crystal_F_000             1232
_cod_data_source_file            hh0594.cif
_cod_data_source_block           hh0594a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        3164.0(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2000451
Triphenylphosphine oxide hydrogen bromide
Lane, H. P.; McAuliffe, C. A.; Pritchard, R. G.; Acta Crystallographica Section C 48 (1992) 2002–2004; doi:10.1107/S0108270192002518

data_2000452
_publ_section_title
;
 Triphenylphosphine oxide hydrogen bromide
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2002
_journal_page_last               2004
_journal_paper_doi               10.1107/S0108270192002518
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C18 H16 O1 P1,Br1'
_chemical_formula_sum            'C18 H16 Br O P'
_chemical_formula_weight         359.2
_chemical_name_systematic        'triphenylphosphine oxide hydrogen bromide'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.91(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.540(3)
_cell_length_b                   17.763(5)
_cell_length_c                   10.390(6)
_cell_volume                     1684.6(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.504
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_F_000             728
_cod_data_source_file            al0534.cif
_cod_data_source_block           al0534a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        1685.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C18 H16 Br1 O1 P1'
_cod_database_code               2000452
Structure of <i>N</i>-(2-dimethylaminoethyl)phenothiazine-1-carboxamide hydrochloride
Christiansen, J.; Clark, G. R.; Denny, W. A.; Palmer, B. D.; Acta Crystallographica Section C 48 (1992) 2004–2007; doi:10.1107/S0108270192003330

data_2000453
_publ_section_title
;
 Structure of
 <i>N</i>-(2-dimethylaminoethyl)phenothiazine-1-carboxamide
 hydrochloride
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2004
_journal_page_last               2007
_journal_paper_doi               10.1107/S0108270192003330
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C17 H20 N3 O1 S1 1+, Cl1 1-'
_chemical_formula_sum            'C17 H20 Cl N3 O S'
_chemical_formula_weight         349.88
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.983(3)
_cell_length_b                   18.028(2)
_cell_length_c                   11.6680(10)
_cell_volume                     1679.2(7)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.43
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_meas      1.390(10)
_exptl_crystal_F_000             736
_cod_data_source_file            hu1001.cif
_cod_data_source_block           hu1001a
_cod_original_cell_volume        1679.1(9)
_cod_original_formula_sum        'C17 H20 Cl1 N3 O1 S1'
_cod_database_code               2000453
Structure of the 1:2 adduct of <i>meso</i>-2,3-dimercaptosuccinic acid and <i>N</i>,<i>N</i>-dimethylformamide
Pyrka, G. J.; Scott, N.; Fernando, Q.; Acta Crystallographica Section C 48 (1992) 2007–2009; doi:10.1107/S0108270192002865

data_2000454
_publ_section_title
;
 Structure of the 1:2 adduct of <i>meso</i>-2,3-dimercaptosuccinic acid
 and <i>N</i>,<i>N</i>-dimethylformamide
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2007
_journal_page_last               2009
_journal_paper_doi               10.1107/S0108270192002865
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C5 H10 N O3 S'
_chemical_formula_weight         328.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.600(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.4080(10)
_cell_length_b                   10.4330(10)
_cell_length_c                   12.3880(10)
_cell_volume                     818.88(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.33
_exptl_crystal_density_diffrn    1.33
_exptl_crystal_F_000             348
_cod_data_source_file            cr0404.cif
_cod_data_source_block           cr0404a
_cod_original_cell_volume        818.9(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C5 H10 N1 O3 S1'
_cod_database_code               2000454
Structures of two crystalline modifications of lapachol
Larsen, I. K.; Andersen, L. A.; Pedersen, B. F.; Acta Crystallographica Section C 48 (1992) 2009–2013; doi:10.1107/S0108270192003378

data_2000455
_publ_section_title
;
 Structures of two crystalline modifications of lapachol
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2009
_journal_page_last               2013
_journal_paper_doi               10.1107/S0108270192003378
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H14 O3'
_chemical_formula_weight         242.26
_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                96.82(2)
_cell_angle_beta                 98.32(2)
_cell_angle_gamma                90.32(2)
_cell_formula_units_Z            2
_cell_length_a                   5.9600(10)
_cell_length_b                   9.569(2)
_cell_length_c                   10.679(2)
_cell_volume                     598.2(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.087
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_F_000             256
_cod_data_source_file            ab0274.cif
_cod_data_source_block           ab0274a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        598.2(3)
_cod_database_code               2000455
Structures of two crystalline modifications of lapachol
Larsen, I. K.; Andersen, L. A.; Pedersen, B. F.; Acta Crystallographica Section C 48 (1992) 2009–2013; doi:10.1107/S0108270192003378

data_2000456
_publ_section_title
;
 Structures of two crystalline modifications of lapachol
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2009
_journal_page_last               2013
_journal_paper_doi               10.1107/S0108270192003378
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H14 O3'
_chemical_formula_weight         242.26
_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                 98.27(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.0350(10)
_cell_length_b                   9.427(2)
_cell_length_c                   20.918(5)
_cell_volume                     1177.7(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.088
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_F_000             512
_cod_data_source_file            ab0274.cif
_cod_data_source_block           ab0274b
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1177.7(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2000456
Structure of <i>N</i>,<i>N</i>',<i>N</i>''-triphenylbiuret
Carugo, O.; Poli, G.; Manzoni, L.; Acta Crystallographica Section C 48 (1992) 2013–2016; doi:10.1107/S0108270192003858

data_2000457
_publ_section_title
;
 Structure of <i>N</i>,<i>N</i>',<i>N</i>''-triphenylbiuret
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2013
_journal_page_last               2016
_journal_paper_doi               10.1107/S0108270192003858
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H17 N3 O2'
_chemical_formula_weight         330.39
_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_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.39(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.6190(10)
_cell_length_b                   8.2850(10)
_cell_length_c                   16.4690(10)
_cell_volume                     1716.8(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.6284
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_F_000             174
_cod_data_source_file            ge0305.cif
_cod_data_source_block           ge0305a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-28
;
_cod_original_cell_volume        1716.7(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000457
Structural aspects of the 6,11-dihydro-11-oxodibenz[<i>b</i>,<i>e</i>]oxepin skeleton
Matsuzawa, E. S.; Hirayama, N.; Ohshima, E.; Obase, H.; Acta Crystallographica Section C 48 (1992) 2016–2019; doi:10.1107/S0108270192002701

data_2000458
_publ_section_title
;
 Structural aspects of the
 6,11-dihydro-11-oxodibenz[<i>b</i>,<i>e</i>]oxepin skeleton
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2016
_journal_page_last               2019
_journal_paper_doi               10.1107/S0108270192002701
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C16 H12 O4'
_chemical_formula_weight         268.27
_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                 108.224(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.0040(10)
_cell_length_b                   12.6209(9)
_cell_length_c                   9.6920(8)
_cell_volume                     1278.51(19)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.79
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_F_000             560
_cod_data_source_file            as0554.cif
_cod_data_source_block           as0554a
_cod_original_cell_volume        1278.5(3)
_cod_database_code               2000458
Structural aspects of the 6,11-dihydro-11-oxodibenz[<i>b</i>,<i>e</i>]oxepin skeleton
Matsuzawa, E. S.; Hirayama, N.; Ohshima, E.; Obase, H.; Acta Crystallographica Section C 48 (1992) 2016–2019; doi:10.1107/S0108270192002701

data_2000459
_publ_section_title
;
 Structural aspects of the
 6,11-dihydro-11-oxodibenz[<i>b</i>,<i>e</i>]oxepin skeleton
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2016
_journal_page_last               2019
_journal_paper_doi               10.1107/S0108270192002701
_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                 117.100(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.6440(10)
_cell_length_b                   8.8780(10)
_cell_length_c                   13.000(2)
_cell_volume                     1401.8(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.75
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_F_000             592
_cod_data_source_file            as0554.cif
_cod_data_source_block           as0554b
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-28
;
_cod_original_cell_volume        1401.9(4)
_cod_database_code               2000459
Structural aspects of the 6,11-dihydro-11-oxodibenz[<i>b</i>,<i>e</i>]oxepin skeleton
Matsuzawa, E. S.; Hirayama, N.; Ohshima, E.; Obase, H.; Acta Crystallographica Section C 48 (1992) 2016–2019; doi:10.1107/S0108270192002701

data_2000460
_publ_section_title
;
 Structural aspects of the
 6,11-dihydro-11-oxodibenz[<i>b</i>,<i>e</i>]oxepin skeleton
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2016
_journal_page_last               2019
_journal_paper_doi               10.1107/S0108270192002701
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H16 O4'
_chemical_formula_weight         296.32
_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                103.720(10)
_cell_angle_beta                 100.700(10)
_cell_angle_gamma                107.850(10)
_cell_formula_units_Z            2
_cell_length_a                   10.1770(10)
_cell_length_b                   10.6300(10)
_cell_length_c                   7.7760(10)
_cell_volume                     746.90(16)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.72
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_F_000             312
_cod_data_source_file            as0554.cif
_cod_data_source_block           as0554c
_cod_original_cell_volume        746.72(8)
_cod_database_code               2000460
Redetermination of decacarbonyl di-μ~4~-sulfido-tetracobalt
Mackay, K. M.; Nicholson, B. K.; van Tiel, M. L.; Acta Crystallographica Section C 48 (1992) 2020–2021; doi:10.1107/S0108270192003433

data_2000461
_publ_section_title
;
 Redetermination of decacarbonyl di-\m~4~-sulfido-tetracobalt
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2020
_journal_page_last               2021
_journal_paper_doi               10.1107/S0108270192003433
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 Co4 O10 S2'
_chemical_formula_weight         579.96
_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_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.76(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.962(4)
_cell_length_b                   6.711(2)
_cell_length_c                   12.339(5)
_cell_volume                     819.2(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    4.1
_exptl_crystal_density_diffrn    2.35
_exptl_crystal_F_000             560
_cod_data_source_file            al1006.cif
_cod_data_source_block           al1006a
_cod_original_cell_volume        819.1(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000461
Structure of monosodium <i>N</i>^1^-(4,6-dimethyl-2-pyrimidyl)sulfanilamidate dihydrate
Hannan, S. S.; Talukdar, A. N.; Acta Crystallographica Section C 48 (1992) 2021–2023; doi:10.1107/S0108270192002695

data_2000462
_publ_section_title
;
 Structure of monosodium
 <i>N</i>^1^-(4,6-dimethyl-2-pyrimidyl)sulfanilamidate dihydrate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2021
_journal_page_last               2023
_journal_paper_doi               10.1107/S0108270192002695
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C12 H13 N4 O2 S1,Na1,2(H2 O1)'
_chemical_formula_sum            'C12 H17 N4 Na O4 S'
_chemical_formula_weight         336.34
_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                101.28(3)
_cell_angle_beta                 102.35(4)
_cell_angle_gamma                70.01(3)
_cell_formula_units_Z            2
_cell_length_a                   11.570(3)
_cell_length_b                   12.725(3)
_cell_length_c                   5.790(4)
_cell_volume                     775.6(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    2.306
_exptl_crystal_density_diffrn    1.44
_exptl_crystal_density_meas      1.46
_exptl_crystal_F_000             352
_cod_data_source_file            as0507.cif
_cod_data_source_block           as0507a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-30

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-30
;
_cod_original_cell_volume        775.6
_cod_original_formula_sum        'C12 H17 N4 Na1 O4 S1'
_cod_database_code               2000462
Bis-adducts of trimethylaluminium and trimethylgallium with <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine
Byers, J. J.; Pennington, W. T.; Robinson, G. H.; Acta Crystallographica Section C 48 (1992) 2023–2025; doi:10.1107/S0108270192001495

data_2000463
_publ_section_title
;
 Bis-adducts of trimethylaluminium and trimethylgallium with
 <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2023
_journal_page_last               2025
_journal_paper_doi               10.1107/S0108270192001495
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H34 Al2 N2'
_chemical_formula_weight         260.38
_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                 110.32(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.719(3)
_cell_length_b                   7.648(2)
_cell_length_c                   12.224(3)
_cell_volume                     939.7(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.20
_exptl_crystal_density_diffrn    0.92
_exptl_crystal_F_000             292
_cod_data_source_file            st0555.cif
_cod_data_source_block           st0555a
_cod_original_cell_volume        939.7(5)
_cod_database_code               2000463
Bis-adducts of trimethylaluminium and trimethylgallium with <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine
Byers, J. J.; Pennington, W. T.; Robinson, G. H.; Acta Crystallographica Section C 48 (1992) 2023–2025; doi:10.1107/S0108270192001495

data_2000464
_publ_section_title
;
 Bis-adducts of trimethylaluminium and trimethylgallium with
 <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2023
_journal_page_last               2025
_journal_paper_doi               10.1107/S0108270192001495
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H34 Ga2 N2'
_chemical_formula_weight         345.86
_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                 110.70(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.735(3)
_cell_length_b                   7.656(2)
_cell_length_c                   12.310(4)
_cell_volume                     946.4(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.23
_exptl_crystal_density_diffrn    1.21
_exptl_crystal_F_000             364
_cod_data_source_file            st0555.cif
_cod_data_source_block           st0555b
_cod_original_cell_volume        946.4(4)
_cod_database_code               2000464