LMucko/crystallography-open-database huggingface dataset:
Structure of di(5-β-methylallyl-2-phenyl-1,3-oxazole)zinc(II) dichloride
Hajjem, B.; Kallel, A.; Svoboda, I.; Sakurai, J.; Acta Crystallographica Section C 48 (1992) 1002–1004; doi:10.1107/S0108270191013343

data_2000815
_publ_section_title
;
 Structure of di(5-\b-methylallyl-2-phenyl-1,3-oxazole)zinc(II)
 dichloride
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1002
_journal_page_last               1004
_journal_paper_doi               10.1107/S0108270191013343
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C13 H13 N1 O1),Cl2 Zn1'
_chemical_formula_sum            'C26 H26 Cl2 N2 O2 Zn'
_chemical_formula_weight         534.79
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.374(3)
_cell_length_b                   12.220(2)
_cell_length_c                   16.278(3)
_cell_volume                     5246.2(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.148
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_F_000             2208
_cod_data_source_file            bx0556.cif
_cod_data_source_block           bx0556a
_cod_original_cell_volume        5246(2)
_cod_original_formula_sum        'C26 H26 Cl2 N2 O2 Zn1'
_cod_database_code               2000815
The synthesis and structure of the pyridine-substituted derivative of tricarbonyl(η^5^-methylcyclopentadienyl)manganese(I)
Crocock, B.; Long, C.; Howie, R. A.; Acta Crystallographica Section C 48 (1992) 1004–1007; doi:10.1107/S0108270191013161

data_2000816
_publ_section_title
;
 The synthesis and structure of the pyridine-substituted derivative of
 tricarbonyl(\h^5^-methylcyclopentadienyl)manganese(I)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1004
_journal_page_last               1007
_journal_paper_doi               10.1107/S0108270191013161
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C13 H12 Mn N O2'
_chemical_formula_weight         269.18
_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                 103.10(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.761(5)
_cell_length_b                   20.578(10)
_cell_length_c                   15.634(11)
_cell_volume                     2432(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.710692
_exptl_absorpt_coefficient_mu    1.03
_exptl_crystal_density_diffrn    1.47
_exptl_crystal_density_meas      1.45(5)
_exptl_crystal_F_000             1104
_cod_data_source_file            ab0251.cif
_cod_data_source_block           ab0251a
_cod_original_cell_volume        2432
_cod_original_formula_sum        'C13 H12 Mn1 N1 O2'
_cod_database_code               2000816
Structure of triaqua(nitrilotriacetato)vanadium(III) tetrahydrate
Okamoto, K.; Hidaka, J.; Fukagawa, M.; Kanamori, K.; Acta Crystallographica Section C 48 (1992) 1025–1027; doi:10.1107/S010827019101377X

data_2000817
_publ_section_title
;
 Structure of triaqua(nitrilotriacetato)vanadium(III) tetrahydrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1025
_journal_page_last               1027
_journal_paper_doi               10.1107/S010827019101377X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C6 H12 N1 O9 V1,4(H2 O1)'
_chemical_formula_sum            'C6 H20 N O13 V'
_chemical_formula_weight         365.17
_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                98.77(2)
_cell_angle_beta                 90.30(2)
_cell_angle_gamma                105.79(2)
_cell_formula_units_Z            2
_cell_length_a                   7.929(2)
_cell_length_b                   8.716(3)
_cell_length_c                   10.914(3)
_cell_volume                     716.4(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.73
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_F_000             380
_cod_data_source_file            as0562.cif
_cod_data_source_block           as0562a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        716.4(8)
_cod_original_formula_sum        'C6 H20 N1 O13 V'
_cod_database_code               2000817
<i>cis</i>-Di[bis(dimethylphosphino)methane <i>P</i>-oxide-<i>P</i>']dichloropalladium(II) monohydrate
Davies, J. A.; Pinkerton, A. A.; Vilmer, M.; Acta Crystallographica Section C 48 (1992) 1027–1029; doi:10.1107/S0108270191013859

data_2000818
_publ_section_title
;
 <i>cis</i>-Di[bis(dimethylphosphino)methane
 <i>P</i>-oxide-<i>P</i>']dichloropalladium(II) monohydrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1027
_journal_page_last               1029
_journal_paper_doi               10.1107/S0108270191013859
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H30 Cl2 O3 P4 Pd'
_symmetry_cell_setting           orthorhombic
_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                   14.332(3)
_cell_length_b                   16.592(3)
_cell_length_c                   17.420(3)
_cell_volume                     4142.4(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    1.45
_exptl_crystal_density_diffrn    1.60
_exptl_crystal_F_000             2032
_cod_data_source_file            cr0282.cif
_cod_data_source_block           cr0282a
_cod_original_cell_volume        4142(3)
_cod_original_sg_symbol_H-M      Pbca
_cod_original_formula_sum        'C10 H30 Cl2 Pd1 O3 P4'
_cod_database_code               2000818
_cod_depositor_comments
;
 Changing atom labels from 'C11', 'C12' to 'Cl1', 'Cl2' after consulting
 the original publication.

 Antanas Vaitkus,
 2016-12-12
;
Structure of a neodymium diglycine complex, [Nd(Gly-Gly)~2~(H~2~O)~2~](ClO~4~)~3~.2H~2~O
Csöregh, I.; Huskowska, E.; Legendziewicz, J.; Acta Crystallographica Section C 48 (1992) 1030–1033; doi:10.1107/S0108270191014257

data_2000819
_publ_section_title
;
 Structure of a neodymium diglycine complex,
 [Nd(Gly-Gly)~2~(H~2~O)~2~](ClO~4~)~3~.2H~2~O
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1030
_journal_page_last               1033
_journal_paper_doi               10.1107/S0108270191014257
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H24 Cl3 N4 Nd O22'
_chemical_formula_weight         778.89
_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                 91.250(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0820(10)
_cell_length_b                   8.9650(10)
_cell_length_c                   22.888(2)
_cell_volume                     2478.5(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.529
_exptl_crystal_density_diffrn    2.0874
_exptl_crystal_density_meas      2.088
_exptl_crystal_F_000             1548
_cod_data_source_file            ka0012.cif
_cod_data_source_block           ka0012a
_cod_original_cell_volume        2478.5(3)
_cod_original_formula_sum        'C8 H24 Cl3 N4 Nd1 O22'
_cod_database_code               2000819
Structure of the crystalline dimer of α-hydroxyisobutyrophenone: (<i>R</i>,<i>S</i>)-3,3,6,6-tetramethyl-1,4-diphenyl-2,5,7-trioxabicyclo[2.2.1]heptane
Robinson, P. D.; Meyers, C. Y.; Kolb, V. M.; Tunnell, J. L.; Ferrara, J. D.; Acta Crystallographica Section C 48 (1992) 1033–1036; doi:10.1107/S0108270191012428

data_2000820
_publ_section_title
;Structure of the crystalline dimer of \a-hydroxyisobutyrophenone:
 (<i>R</i>,<i>S</i>)-3,3,6,6-tetramethyl-1,4-diphenyl-2,5,7-trioxabicyclo[2.2.1]heptane
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1033
_journal_page_last               1036
_journal_paper_doi               10.1107/S0108270191012428
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H22 O3'
_chemical_formula_weight         310.39
_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                 91.2(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.58(3)
_cell_length_b                   8.340(10)
_cell_length_c                   24.35(3)
_cell_volume                     3366(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.076
_exptl_crystal_density_diffrn    1.224
_exptl_crystal_F_000             1328
_cod_data_source_file            cr0353.cif
_cod_data_source_block           cr0353a
_cod_original_cell_volume        3367(8)
_cod_database_code               2000820
Structure of butanedione bis(methylphenylhydrazone)
Bocelli, G.; Cantoni, A.; Tosi, G.; Acta Crystallographica Section C 48 (1992) 1041–1043; doi:10.1107/S010827019101257X

data_2000821
_publ_section_title
;
 Structure of butanedione bis(methylphenylhydrazone)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1041
_journal_page_last               1043
_journal_paper_doi               10.1107/S010827019101257X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H22 N4'
_chemical_formula_weight         294.40
_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                 97.60(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.490(3)
_cell_length_b                   7.734(2)
_cell_length_c                   8.211(3)
_cell_volume                     849.1(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.066
_exptl_crystal_density_diffrn    1.15
_exptl_crystal_F_000             316
_cod_data_source_file            pa0236.cif
_cod_data_source_block           pa0236a
_cod_original_cell_volume        849.6(4)
_cod_database_code               2000821
Structure of ticlopidine hydrochloride - a platelet antiaggregating agent
Enjalbert, R.; Galy, J.; Géhénot, A.; Rao, R. C.; Maire, G.; Acta Crystallographica Section C 48 (1992) 1043–1045; doi:10.1107/S0108270191012593

data_2000822
_publ_section_title
;
 Structure of ticlopidine hydrochloride - a platelet antiaggregating
 agent
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1043
_journal_page_last               1045
_journal_paper_doi               10.1107/S0108270191012593
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C14 H15 Cl1 N1 S1,Cl1'
_chemical_formula_sum            'C14 H15 Cl2 N S'
_chemical_formula_weight         300.25
_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                101.47(4)
_cell_angle_beta                 106.31(2)
_cell_angle_gamma                81.60(4)
_cell_formula_units_Z            2
_cell_length_a                   9.734(2)
_cell_length_b                   10.873(7)
_cell_length_c                   7.256(2)
_cell_volume                     719.0(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.57
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_meas      1.37
_exptl_crystal_F_000             312
_cod_data_source_file            pa0247.cif
_cod_data_source_block           pa0247a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-15
;
_cod_original_cell_volume        719.0(10)
_cod_original_formula_sum        'C14 H15 Cl2 N1 S1'
_cod_database_code               2000822
Structure of <i>N</i>-nitroso-<i>r</i>-2,<i>c</i>-7-diphenylhexahydro-1,4-diazepin-5-one
Priya, V.; Shamala, N.; Viswamitra, M. A.; Senthil Kumar, U. P.; Jeyaraman, R.; Acta Crystallographica Section C 48 (1992) 1048–1051; doi:10.1107/S0108270191012982

data_2000823
_publ_section_title
;
 Structure of
 <i>N</i>-nitroso-<i>r</i>-2,<i>c</i>-7-diphenylhexahydro-1,4-diazepin-5-one
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1048
_journal_page_last               1051
_journal_paper_doi               10.1107/S0108270191012982
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H17 N3 O2'
_chemical_formula_weight         295.34
_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                   7.6590(10)
_cell_length_b                   12.7410(10)
_cell_length_c                   15.0950(10)
_cell_volume                     1473.0(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.68
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_density_meas      1.33
_exptl_crystal_F_000             624
_cod_data_source_file            li0105.cif
_cod_data_source_block           li0105a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-15
;
_cod_original_cell_volume        1473.19(2)
_cod_database_code               2000823
Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas
Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.; Acta Crystallographica Section C 48 (1992) 1051–1054; doi:10.1107/S0108270191012908

data_2000824
_publ_section_title
;
 Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1051
_journal_page_last               1054
_journal_paper_doi               10.1107/S0108270191012908
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C9 H11 N3 O3'
_chemical_formula_weight         209.21
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.2320(10)
_cell_length_b                   14.2320(10)
_cell_length_c                   10.169(4)
_cell_volume                     2059.7(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54050
_exptl_absorpt_coefficient_mu    0.832
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_F_000             880
_cod_data_source_file            as0547.cif
_cod_data_source_block           as0547a
_cod_original_cell_volume        2060.0(10)
_cod_database_code               2000824
Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas
Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.; Acta Crystallographica Section C 48 (1992) 1051–1054; doi:10.1107/S0108270191012908

data_2000825
_publ_section_title
;
 Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1051
_journal_page_last               1054
_journal_paper_doi               10.1107/S0108270191012908
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H21 N3 O2'
_chemical_formula_weight         263.34
_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                 92.140(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.8540(10)
_cell_length_b                   9.0710(10)
_cell_length_c                   11.808(4)
_cell_volume                     1482.9(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54050
_exptl_absorpt_coefficient_mu    0.614
_exptl_crystal_density_diffrn    1.179
_exptl_crystal_F_000             568
_cod_data_source_file            as0547.cif
_cod_data_source_block           as0547b
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-17
;
_cod_original_cell_volume        1482.9(3)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2000825
Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas
Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.; Acta Crystallographica Section C 48 (1992) 1051–1054; doi:10.1107/S0108270191012908

data_2000826
_publ_section_title
;
 Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1051
_journal_page_last               1054
_journal_paper_doi               10.1107/S0108270191012908
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C22 H21 N3 O2'
_chemical_formula_weight         359.43
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.920(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.6390(10)
_cell_length_b                   10.1850(10)
_cell_length_c                   7.851(4)
_cell_volume                     1003.3(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54050
_exptl_absorpt_coefficient_mu    0.588
_exptl_crystal_density_diffrn    1.190
_exptl_crystal_F_000             380
_cod_data_source_file            as0547.cif
_cod_data_source_block           as0547c
_cod_original_cell_volume        1003.3
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2000826
Structure of the low-melting phase of petroselinic acid
Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.; Acta Crystallographica Section C 48 (1992) 1054–1057; doi:10.1107/S0108270191012921

data_2000827
_publ_section_title
;
 Structure of the low-melting phase of petroselinic acid
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1054
_journal_page_last               1057
_journal_paper_doi               10.1107/S0108270191012921
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H34 O2'
_chemical_formula_weight         282.47
_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                   7.3110(10)
_cell_length_b                   5.5650(10)
_cell_length_c                   88.010(10)
_cell_volume                     3580.7(9)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.474
_exptl_crystal_density_diffrn    1.05
_exptl_crystal_F_000             1264
_cod_data_source_file            as0516.cif
_cod_data_source_block           as0516a
_cod_original_cell_volume        3581.1(8)
_cod_database_code               2000827
Structure of the high-melting phase of petroselinic acid
Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.; Acta Crystallographica Section C 48 (1992) 1057–1060; doi:10.1107/S0108270191013173

data_2000828
_publ_section_title
;
 Structure of the high-melting phase of petroselinic acid
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1057
_journal_page_last               1060
_journal_paper_doi               10.1107/S0108270191013173
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H34 O2'
_chemical_formula_weight         282.47
_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                90.490(10)
_cell_angle_beta                 89.12(2)
_cell_angle_gamma                113.81(2)
_cell_formula_units_Z            4
_cell_length_a                   5.3590(10)
_cell_length_b                   8.874(2)
_cell_length_c                   41.391(5)
_cell_volume                     1800.6(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.47
_exptl_crystal_density_diffrn    1.04
_exptl_crystal_F_000             632
_cod_data_source_file            as0527.cif
_cod_data_source_block           as0527a
_cod_original_cell_volume        1800.7(6)
_cod_database_code               2000828