LMucko/crystallography-open-database huggingface dataset:
Structure of 1,1-dioxo-2,4,4,6-tetraphenyl-4<i>H</i>-thiopyran benzene solvate
Vojtěchovský, J.; Hašek, J.; Acta Crystallographica Section C 48 (1992) 1495–1497; doi:10.1107/S0108270191014099

data_2000700
_publ_section_title
;
 Structure of 1,1-dioxo-2,4,4,6-tetraphenyl-4<i>H</i>-thiopyran benzene
 solvate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1495
_journal_page_last               1497
_journal_paper_doi               10.1107/S0108270191014099
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C29 H22 O2 S1,0.5(C6 H6)'
_chemical_formula_sum            'C32 H25 O2 S'
_chemical_formula_weight         473.61
_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                 92.62(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.029(4)
_cell_length_b                   13.265(4)
_cell_length_c                   21.426(11)
_cell_volume                     2563.5(19)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    1.295
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_F_000             1696
_cod_data_source_file            li0092.cif
_cod_data_source_block           li0092a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_cell_volume        2564(2)
_cod_original_formula_sum        'C32 H25 O2 S1'
_cod_database_code               2000700
Structure of 1-oxo-2,4,4,6-tetraphenyl-4<i>H</i>-thiopyran benzene solvate
Vojtěchovský, J.; Hašek, J.; Acta Crystallographica Section C 48 (1992) 1497–1499; doi:10.1107/S0108270192002117

data_2000701
_publ_section_title
;
 Structure of 1-oxo-2,4,4,6-tetraphenyl-4<i>H</i>-thiopyran benzene
 solvate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1497
_journal_page_last               1499
_journal_paper_doi               10.1107/S0108270192002117
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C29 H22 O1 S1,0.25(C6 H6)'
_chemical_formula_sum            'C30.5 H23.5 O S'
_chemical_formula_weight         439.57
_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                96.08(2)
_cell_angle_beta                 69.42(2)
_cell_angle_gamma                67.69(2)
_cell_formula_units_Z            2
_cell_length_a                   10.622(3)
_cell_length_b                   11.448(2)
_cell_length_c                   12.343(3)
_cell_volume                     1249.3(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    1.249
_exptl_crystal_density_diffrn    1.161
_exptl_crystal_F_000             461
_cod_data_source_file            li9092.cif
_cod_data_source_block           li9092a
_cod_original_formula_sum        'C30.5 H23.5 O1 S1'
_cod_database_code               2000701
Structure of a cyclopenta[<i>hi</i>]indolizine
Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.; Acta Crystallographica Section C 48 (1992) 1499–1500; doi:10.1107/S0108270191014531

data_2000702
_publ_section_title
;
 Structure of a cyclopenta[<i>hi</i>]indolizine
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1499
_journal_page_last               1500
_journal_paper_doi               10.1107/S0108270191014531
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C13 H13 N O2'
_chemical_formula_weight         215.25
_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                105.670(10)
_cell_angle_beta                 118.140(10)
_cell_angle_gamma                79.850(10)
_cell_formula_units_Z            2
_cell_length_a                   8.2390(10)
_cell_length_b                   9.7500(10)
_cell_length_c                   7.8560(10)
_cell_volume                     534.91(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.085
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_F_000             228
_cod_data_source_file            al0510.cif
_cod_data_source_block           al0510a
_cod_original_cell_volume        534.80(10)
_cod_original_formula_sum        'C13 H13 N1 O2'
_cod_database_code               2000702
Structure of diethyl <i>cis</i>,<i>cis</i>-3,8-cyclodecadiene-<i>trans</i>-1,6-dicarboxylate
Choubal, M. D.; Fernandez, E. J.; Crumrine, D. S.; Pavkovic, S. F.; Acta Crystallographica Section C 48 (1992) 1501–1502; doi:10.1107/S0108270191014191

data_2000703
_publ_section_title
;
 Structure of diethyl
 <i>cis</i>,<i>cis</i>-3,8-cyclodecadiene-<i>trans</i>-1,6-dicarboxylate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1501
_journal_page_last               1502
_journal_paper_doi               10.1107/S0108270191014191
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C16 H24 O4'
_chemical_formula_weight         280.36
_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                93.418(4)
_cell_angle_beta                 100.420(4)
_cell_angle_gamma                74.612(6)
_cell_formula_units_Z            1
_cell_length_a                   6.5675(8)
_cell_length_b                   11.9949(14)
_cell_length_c                   5.1052(6)
_cell_volume                     381.33(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.081
_exptl_crystal_density_diffrn    1.22
_exptl_crystal_density_meas      1.21(2)
_exptl_crystal_F_000             152
_cod_data_source_file            st0550.cif
_cod_data_source_block           st0550a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        381.3(2)
_cod_database_code               2000703
Structure of <i>r</i>-5-cyano-5-methyl-<i>t</i>-4-methyl-<i>t</i>-7-oxo-7-phenyl-8-oxa-7-phosphabicyclo[4.3.0]non-2-ene monohydrate
Bartczak, T. J.; Wolf, W. M.; Stoeckli-Evans, H.; Acta Crystallographica Section C 48 (1992) 1502–1504; doi:10.1107/S0108270191014440

data_2000704
_publ_section_title
;Structure of
 <i>r</i>-5-cyano-5-methyl-<i>t</i>-4-methyl-<i>t</i>-7-oxo-7-phenyl-8-oxa-7-phosphabicyclo[4.3.0]non-2-ene
 monohydrate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1502
_journal_page_last               1504
_journal_paper_doi               10.1107/S0108270191014440
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C16 H18 N1 O2 P1,H2 O1'
_chemical_formula_sum            'C16 H20 N O3 P'
_chemical_formula_weight         305.3
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'I -2ya'
_space_group_name_H-M_alt        'I 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.74(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.058(4)
_cell_length_b                   7.7910(10)
_cell_length_c                   17.006(3)
_cell_volume                     1596.9(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    1.75
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_density_meas      1.26
_exptl_crystal_F_000             648
_cod_data_source_file            ha0081.cif
_cod_data_source_block           ha0081a
_cod_original_cell_volume        1596.9
_cod_original_sg_symbol_H-M      'I a'
_cod_original_formula_sum        'C16 H20 N1 O3 P1'
_cod_database_code               2000704
Structure of [20-CH~3~],[20-CD~3~]-methylpregnene-3,20-diol methanolate from neutron diffraction at 123 K
McMullan, R. K.; Koetzle, T. F.; Fronckowiak, M. D.; Acta Crystallographica Section C 48 (1992) 1509–1512; doi:10.1107/S0108270192000234

data_2000705
_publ_section_title
;
 Structure of [20-CH~3~],[20-CD~3~]-methylpregnene-3,20-diol
 methanolate from neutron diffraction at 123 K
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1509
_journal_page_last               1512
_journal_paper_doi               10.1107/S0108270192000234
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C22 H33 D3 O2,C1 H4 O1'
_chemical_formula_sum            'C23 H37 D3 O3'
_chemical_formula_weight         367.57
_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                 101.18(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.345(3)
_cell_length_b                   7.729(2)
_cell_length_c                   10.471(2)
_cell_volume                     1059.5(4)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.0508
_exptl_absorpt_coefficient_mu    0.2794
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_F_000             51.93
_cod_data_source_file            cr0374.cif
_cod_data_source_block           cr0374a
_cod_database_code               2000705
Structure of 3-benzyloxy-5-(benzyloxymethyl)-5<i>H</i>-furan-2-one
Linden, A.; Acta Crystallographica Section C 48 (1992) 1514–1516; doi:10.1107/S0108270192000337

data_2000706
_publ_section_title
;
 Structure of 3-benzyloxy-5-(benzyloxymethyl)-5<i>H</i>-furan-2-one
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1514
_journal_page_last               1516
_journal_paper_doi               10.1107/S0108270192000337
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C19 H18 O4'
_chemical_formula_weight         310.35
_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                 106.53(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.123(3)
_cell_length_b                   15.727(3)
_cell_length_c                   11.916(3)
_cell_volume                     1639.0(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.0819
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_F_000             656
_cod_data_source_file            hu0403.cif
_cod_data_source_block           hu0403a
_cod_original_cell_volume        1639.1(7)
_cod_database_code               2000706
Structure of 3,4-diethylcanthine-5,6-dione
Sui, X.; Codding, P. W.; Acta Crystallographica Section C 48 (1992) 1516–1518; doi:10.1107/S0108270192000222

data_2000707
_publ_section_title
;
 Structure of 3,4-diethylcanthine-5,6-dione
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1516
_journal_page_last               1518
_journal_paper_doi               10.1107/S0108270192000222
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H16 N2 O2'
_chemical_formula_weight         292.34
_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                83.493(3)
_cell_angle_beta                 114.946(3)
_cell_angle_gamma                101.598(3)
_cell_formula_units_Z            2
_cell_length_a                   8.4118(2)
_cell_length_b                   11.9934(4)
_cell_length_c                   7.9901(4)
_cell_volume                     715.59(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.68
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_F_000             308
_cod_data_source_file            cr0392.cif
_cod_data_source_block           cr0392a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        715.61(5)
_cod_database_code               2000707
Structure of concanamycin A pentahydrate
Nakai, H.; Matsutani, S.; Acta Crystallographica Section C 48 (1992) 1519–1521; doi:10.1107/S0108270191014749

data_2000708
_publ_section_title
;
 Structure of concanamycin A pentahydrate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1519
_journal_page_last               1521
_journal_paper_doi               10.1107/S0108270191014749
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C46 H75 N1 O14,4(H2 O1)'
_chemical_formula_sum            'C46 H83 N O18'
_chemical_formula_weight         941.75
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.710(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   24.386(3)
_cell_length_b                   10.816(2)
_cell_length_c                   9.9830(10)
_cell_volume                     2630.2(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.76
_exptl_crystal_density_diffrn    1.189
_exptl_crystal_F_000             1024
_cod_data_source_file            as0564.cif
_cod_data_source_block           as0564a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-30
;
_cod_original_cell_volume        2629.2(7)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C46 H83 N1 O18'
_cod_database_code               2000708
The structure of a trisubstituted 3<i>H</i>-1,2-dithiole
Husebye, S.; Maartmann-Moe, K.; Mikalsen, Ø.; Acta Crystallographica Section C 48 (1992) 1521–1523; doi:10.1107/S0108270191015007

data_2000709
_publ_section_title
;
 The structure of a trisubstituted 3<i>H</i>-1,2-dithiole
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1521
_journal_page_last               1523
_journal_paper_doi               10.1107/S0108270191015007
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C22 H17 N3 S3'
_chemical_formula_weight         419.59
_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                 102.981(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.8198(9)
_cell_length_b                   6.9843(8)
_cell_length_c                   23.0717(13)
_cell_volume                     2013.0(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    36.67
_exptl_crystal_density_diffrn    1.390
_cod_data_source_file            al0516.cif
_cod_data_source_block           al0516a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000709
Structure of tris(phenylthio)phosphine sulfide
Shibao, R. K.; Keder, N. L.; Eckert, H.; Acta Crystallographica Section C 48 (1992) 1525–1527; doi:10.1107/S0108270191014919

data_2000710
_publ_section_title
;
 Structure of tris(phenylthio)phosphine sulfide
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1525
_journal_page_last               1527
_journal_paper_doi               10.1107/S0108270191014919
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H15 P S4'
_chemical_formula_weight         390.5
_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                 97.253(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1406(5)
_cell_length_b                   10.1948(6)
_cell_length_c                   18.8700(10)
_cell_volume                     1935.20(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.549
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_F_000             808
_cod_data_source_file            hh0567.cif
_cod_data_source_block           hh0567a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-03
;
_cod_original_cell_volume        1935.2(3)
_cod_original_formula_sum        'C18 H15 P1 S4'
_cod_database_code               2000710
Structure of 7-acetyl-2,5,9-trinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonan-8-one
George, C.; Gilardi, R.; Flippen-Anderson, J. L.; Acta Crystallographica Section C 48 (1992) 1527–1528; doi:10.1107/S0108270191014956

data_2000711
_publ_section_title
;
 Structure of
 7-acetyl-2,5,9-trinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonan-8-one
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1527
_journal_page_last               1528
_journal_paper_doi               10.1107/S0108270191014956
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C7 H9 N7 O8'
_chemical_formula_sum            'C7 H9 N7 O8'
_chemical_formula_weight         319.2
_chemical_name_systematic
;
 7-acetyl-2,5,9-trinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonan-8-one
;
_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                 108.570(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6150(10)
_cell_length_b                   9.115(2)
_cell_length_c                   12.948(2)
_cell_volume                     1187.6(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    1.38
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_F_000             656
_cod_data_source_file            hh0573.cif
_cod_data_source_block           hh0573a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000711
Structures of (I) 6-nitro-2,4-dipropionyl-8-oxa-2,4,6-triazabicyclo[3.3.0]octane and (II) 2,4-diacetyl-6-nitro-8-oxa-2,4,6-triazabicyclo[3.3.0]octane
Gilardi, R.; George, C.; Flippen-Anderson, J. L.; Acta Crystallographica Section C 48 (1992) 1528–1530; doi:10.1107/S0108270191014944

data_2000712
_publ_section_title
;
 Structures of (I)
 6-nitro-2,4-dipropionyl-8-oxa-2,4,6-triazabicyclo[3.3.0]octane and
 (II) 2,4-diacetyl-6-nitro-8-oxa-2,4,6-triazabicyclo[3.3.0]octane
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1528
_journal_page_last               1530
_journal_paper_doi               10.1107/S0108270191014944
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C10 H16 N4 O5'
_chemical_formula_sum            'C10 H16 N4 O5'
_chemical_formula_weight         272.3
_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                 90.94(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.151(2)
_cell_length_b                   13.484(7)
_cell_length_c                   15.165(9)
_cell_volume                     1257.6(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.11
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_F_000             576
_cod_data_source_file            hh0576.cif
_cod_data_source_block           hh0576a
_cod_original_cell_volume        1257.6(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000712
Structures of (I) 6-nitro-2,4-dipropionyl-8-oxa-2,4,6-triazabicyclo[3.3.0]octane and (II) 2,4-diacetyl-6-nitro-8-oxa-2,4,6-triazabicyclo[3.3.0]octane
Gilardi, R.; George, C.; Flippen-Anderson, J. L.; Acta Crystallographica Section C 48 (1992) 1528–1530; doi:10.1107/S0108270191014944

data_2000713
_publ_section_title
;
 Structures of (I)
 6-nitro-2,4-dipropionyl-8-oxa-2,4,6-triazabicyclo[3.3.0]octane and
 (II) 2,4-diacetyl-6-nitro-8-oxa-2,4,6-triazabicyclo[3.3.0]octane
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1528
_journal_page_last               1530
_journal_paper_doi               10.1107/S0108270191014944
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H12 N4 O5'
_chemical_formula_weight         244.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.35(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8010(10)
_cell_length_b                   19.885(3)
_cell_length_c                   7.0770(10)
_cell_volume                     1097.5(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.02
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_F_000             512
_cod_data_source_file            hh0576.cif
_cod_data_source_block           hh0576b
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2000713