LMucko/crystallography-open-database huggingface dataset:
Mesoionic compounds. 4. Structure of 1,4,5-triphenyl-1,2,4-triazolium-3-thiolate
Cheung, K.-K.; Echevarria, A.; Galembeck, S.; Maciel, M. A. M.; Miller, J.; Rumjanek, V. M.; Simas, A. M.; Acta Crystallographica Section C 49 (1993) 1092–1094; doi:10.1107/S0108270192012642

data_2001586
_publ_section_title
;
 Mesoionic compounds. 4. Structure of
 1,4,5-triphenyl-1,2,4-triazolium-3-thiolate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1092
_journal_page_last               1094
_journal_paper_doi               10.1107/S0108270192012642
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C20 H15 N3 S'
_chemical_formula_weight         329.43
_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                 118.36(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.745(4)
_cell_length_b                   7.600(4)
_cell_length_c                   21.929(6)
_cell_volume                     1722.5(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.18
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_F_000             688
_cod_data_source_file            hu1022.cif
_cod_data_source_block           hu1022_structure_1_of_1
_cod_original_cell_volume        1722.4(10)
_cod_original_formula_sum        'C20 H15 N3 S1'
_cod_database_code               2001586
Structure of a dideoxynucleoside active against the HIV (AIDS) virus
Gulbis, J. M.; Mackay, M. F.; Holan, G.; Marcuccio, S. M.; Acta Crystallographica Section C 49 (1993) 1095–1097; doi:10.1107/S0108270193002094

data_2001587
_publ_section_title
;
 Structure of a dideoxynucleoside active against the HIV (AIDS) virus
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1095
_journal_page_last               1097
_journal_paper_doi               10.1107/S0108270193002094
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C16 H21 N3 O6'
_chemical_formula_sum            'C16 H21 N3 O6'
_chemical_formula_weight         351.4
_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                 97.630(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   4.6910(10)
_cell_length_b                   14.448(2)
_cell_length_c                   12.924(3)
_cell_volume                     868.2(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.65
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_meas      1.340(10)
_exptl_crystal_F_000             372
_cod_data_source_file            hl1026.cif
_cod_data_source_block           hl1026_structure_1_of_1
_cod_original_cell_volume        868.20(10)
_cod_database_code               2001587
Two structures involved in the separation of the enantiomeric pair of 2,2'-spirobi[indan]-1,1'-dione
Iversen, B. B.; Møller, E. R.; Krogh, L.; Holm, M. F.; Dynesen, E.; Larsen, F. K.; Hazell, R. G.; Acta Crystallographica Section C 49 (1993) 1104–1107; doi:10.1107/S010827019300071X

data_2001591
_publ_section_title
;
 Two structures involved in the separation of the enantiomeric pair of
 2,2'-spirobi[indan]-1,1'-dione
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1104
_journal_page_last               1107
_journal_paper_doi               10.1107/S010827019300071X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C27 H26 O5'
_chemical_formula_sum            'C27 H26 O5'
_chemical_formula_weight         430.51
_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                 112.410(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   18.805(2)
_cell_length_b                   6.3180(10)
_cell_length_c                   9.9880(10)
_cell_volume                     1097.1(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    .083
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_F_000             456
_cod_data_source_file            ab1039.cif
_cod_data_source_block           ab1039_structure_1_of_2
_cod_original_cell_volume        1097.10(10)
_cod_database_code               2001591
Two structures involved in the separation of the enantiomeric pair of 2,2'-spirobi[indan]-1,1'-dione
Iversen, B. B.; Møller, E. R.; Krogh, L.; Holm, M. F.; Dynesen, E.; Larsen, F. K.; Hazell, R. G.; Acta Crystallographica Section C 49 (1993) 1104–1107; doi:10.1107/S010827019300071X

data_2001592
_publ_section_title
;
 Two structures involved in the separation of the enantiomeric pair of
 2,2'-spirobi[indan]-1,1'-dione
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1104
_journal_page_last               1107
_journal_paper_doi               10.1107/S010827019300071X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C27 H26 O5'
_chemical_formula_sum            'C27 H26 O5'
_chemical_formula_weight         430.51
_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                 96.521(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.551(2)
_cell_length_b                   6.4950(10)
_cell_length_c                   9.4480(10)
_cell_volume                     1131.0(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    .081
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_F_000             456
_cod_data_source_file            ab1039.cif
_cod_data_source_block           ab1039_structure_2_of_2
_cod_database_code               2001592
Structure of 4-iodo-<i>trans</i>-cinnamic acid and a study of carboxyl group disorder
Goud, B. S.; Pathaneni, S. S.; Desiraju, G. R.; Acta Crystallographica Section C 49 (1993) 1107–1111; doi:10.1107/S0108270192011168

data_2001593
_publ_section_title
;
 Structure of 4-iodo-<i>trans</i>-cinnamic acid and a study of carboxyl
 group disorder
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1107
_journal_page_last               1111
_journal_paper_doi               10.1107/S0108270192011168
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C9 H7 I O2'
_chemical_formula_weight         274.05
_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                 90.32
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.118(2)
_cell_length_b                   6.274(4)
_cell_length_c                   34.672(2)
_cell_volume                     895.8(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.490
_exptl_crystal_density_diffrn    2.03
_exptl_crystal_F_000             520
_cod_data_source_file            gr1002.cif
_cod_data_source_block           gr1002_structure_1_of_1
_cod_original_cell_volume        895.7(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C9 H7 I1 O2'
_cod_database_code               2001593
Structure of 1-amino-3-(methylthio)propylphosphonic acid
Sawka-Dobrowolska, W.; Matczak-Jon, E.; Dembkowski, L.; Acta Crystallographica Section C 49 (1993) 1111–1113; doi:10.1107/S0108270192003937

data_2001594
_publ_section_title
;
 Structure of 1-amino-3-(methylthio)propylphosphonic acid
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1111
_journal_page_last               1113
_journal_paper_doi               10.1107/S0108270192003937
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C4 H12 N O3 P S'
_chemical_formula_weight         185.18
_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                 97.93(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.508(8)
_cell_length_b                   6.095(4)
_cell_length_c                   9.532(5)
_cell_volume                     834.8(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    4.8
_exptl_crystal_density_diffrn    1.4730(10)
_exptl_crystal_density_meas      1.470(10)
_exptl_crystal_F_000             392
_cod_data_source_file            ha0067.cif
_cod_data_source_block           ha0067_structure_1_of_1
_cod_original_cell_volume        834.8
_cod_original_formula_sum        'C4 H12 N1 O3 P1 S1'
_cod_database_code               2001594
(3<i>R</i>,6<i>R</i>)-3,4-Dimethyl-1,4-diazabicyclo[4.4.0]decane-2,5-dione
Verbruggen, M.; Lenstra, A. T. H.; Reyniers, F.; Borremans, F.; Acta Crystallographica Section C 49 (1993) 1113–1116; doi:10.1107/S010827019201059X

data_2001595
_publ_section_title
;
 (3<i>R</i>,6<i>R</i>)-3,4-Dimethyl-1,4-diazabicyclo[4.4.0]decane-2,5-dione
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1113
_journal_page_last               1116
_journal_paper_doi               10.1107/S010827019201059X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C10 H16 N2 O2'
_chemical_formula_weight         196.25
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.593(3)
_cell_length_b                   6.755(2)
_cell_length_c                   23.653(4)
_cell_volume                     1053.4(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.24
_exptl_crystal_F_000             424
_cod_data_source_file            mu1011.cif
_cod_data_source_block           mu1011_structure_1_of_1
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-28
;
_cod_original_cell_volume        1053.0(10)
_cod_database_code               2001595
Structures of <i>ortho</i>-metalated [2-(<i>p</i>-tolyl)pyridine]iridium(III) complexes
Garces, F. O.; Dedeian, K.; Keder, N. L.; Watts, R. J.; Acta Crystallographica Section C 49 (1993) 1117–1120; doi:10.1107/S0108270193000836

data_2001596
_publ_section_title
;
 Structures of <i>ortho</i>-metalated
 [2-(<i>p</i>-tolyl)pyridine]iridium(III) complexes
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1117
_journal_page_last               1120
_journal_paper_doi               10.1107/S0108270193000836
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C48 H40 Cl2 Ir2 N4,0.5(C7 H8)'
_chemical_formula_sum            'C51.5 H44 Cl2 Ir2 N4'
_chemical_formula_weight         1174.29
_space_group_crystal_system      tetragonal
_space_group_IT_number           110
_space_group_name_Hall           'I 4bw -2c'
_space_group_name_H-M_alt        'I 41 c d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.90(2)
_cell_length_b                   16.90(2)
_cell_length_c                   33.31(3)
_cell_volume                     9514(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.718
_exptl_crystal_density_diffrn    1.64
_exptl_crystal_F_000             4552
_cod_data_source_file            cr1031.cif
_cod_data_source_block           cr1031_structure_1_of_2
_cod_original_cell_volume        9513.7
_cod_database_code               2001596
Structures of <i>ortho</i>-metalated [2-(<i>p</i>-tolyl)pyridine]iridium(III) complexes
Garces, F. O.; Dedeian, K.; Keder, N. L.; Watts, R. J.; Acta Crystallographica Section C 49 (1993) 1117–1120; doi:10.1107/S0108270193000836

data_2001597
_publ_section_title
;
 Structures of <i>ortho</i>-metalated
 [2-(<i>p</i>-tolyl)pyridine]iridium(III) complexes
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1117
_journal_page_last               1120
_journal_paper_doi               10.1107/S0108270193000836
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C36 H30 Ir N3'
_chemical_formula_weight         696.87
_space_group_crystal_system      trigonal
_space_group_IT_number           146
_space_group_name_Hall           'R 3'
_space_group_name_H-M_alt        'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   15.0144(7)
_cell_length_b                   15.0144(7)
_cell_length_c                   25.8290(10)
_cell_volume                     5042.6(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.982
_exptl_crystal_density_diffrn    1.38
_exptl_crystal_F_000             2064
_cod_data_source_file            cr1031.cif
_cod_data_source_block           cr1031_structure_2_of_2
_cod_original_cell_volume        5042.6
_cod_original_sg_symbol_H-M      'R 3 {hexagonal axes}'
_cod_database_code               2001597
Structure of bis[(bipyridyl)dicyanatocopper(II)](<i>Cu</i>–<i>Cu</i>)
Kabešová, M.; Jorík, V.; Dunaj-Jurčo, M.; Acta Crystallographica Section C 49 (1993) 1120–1121; doi:10.1107/S0108270192012903

data_2001598
_publ_section_title
;
 Structure of bis[(bipyridyl)dicyanatocopper(II)](<i>Cu</i>--<i>Cu</i>)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1120
_journal_page_last               1121
_journal_paper_doi               10.1107/S0108270192012903
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C24 H16 Cu2 N8 O4'
_chemical_formula_weight         607.5
_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                118.40(10)
_cell_angle_beta                 95.30(10)
_cell_angle_gamma                102.80(10)
_cell_formula_units_Z            1
_cell_length_a                   6.620(10)
_cell_length_b                   9.990(10)
_cell_length_c                   10.400(10)
_cell_volume                     574.1(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.98
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_meas      1.74
_exptl_crystal_F_000             306
_cod_data_source_file            mu1023.cif
_cod_data_source_block           mu1023_structure_1_of_1
_cod_original_cell_volume        574.2(1.9)
_cod_database_code               2001598
Bis[bis(triphenylphosphine)iminium] dodecacarbonylhexanickelate
Bachman, R. E.; Whitmire, K. H.; Acta Crystallographica Section C 49 (1993) 1121–1123; doi:10.1107/S0108270193001830

data_2001599
_publ_section_title
;
 Bis[bis(triphenylphosphine)iminium] dodecacarbonylhexanickelate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1121
_journal_page_last               1123
_journal_paper_doi               10.1107/S0108270193001830
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '(C36 H30 N1 P2)2,(Ni6 (CO)12)'
_chemical_formula_sum            'C84 H60 N2 Ni6 O12 P4'
_chemical_formula_weight         1765.5
_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                106.24(3)
_cell_angle_beta                 119.04(2)
_cell_angle_gamma                81.41(3)
_cell_formula_units_Z            1
_cell_length_a                   13.299(4)
_cell_length_b                   13.343(4)
_cell_length_c                   13.051(5)
_cell_volume                     1943.7(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.57
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_F_000             902
_cod_data_source_file            hh1042.cif
_cod_data_source_block           hh1042_structure_1_of_1
_cod_original_cell_volume        1943.0(10)
_cod_database_code               2001599
Structure of 17β-acetoxy-18-methyl-1-thia-<i>A</i>-norestra-3,9(10),11-trien-2-one
Okada, K.; Koyama, H.; Acta Crystallographica Section C 49 (1993) 1123–1125; doi:10.1107/S0108270192011077

data_2001600
_publ_section_title
;
 Structure of
 17\b-acetoxy-18-methyl-1-thia-<i>A</i>-norestra-3,9(10),11-trien-2-one
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1123
_journal_page_last               1125
_journal_paper_doi               10.1107/S0108270192011077
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C19 H22 O3 S'
_chemical_formula_weight         330.44
_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                93.080(10)
_cell_angle_beta                 117.700(10)
_cell_angle_gamma                85.490(10)
_cell_formula_units_Z            2
_cell_length_a                   9.1267(12)
_cell_length_b                   11.9550(10)
_cell_length_c                   8.7830(10)
_cell_volume                     845.69(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.194
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_F_000             352
_cod_data_source_file            as0585.cif
_cod_data_source_block           as0585_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        845.67
_cod_original_formula_sum        'C19 H22 O3 S1'
_cod_database_code               2001600
1-[3-(3,4-Methylenedioxyphenoxy)propyl]-4-phenylpiperazine monohydrochloride
Okamoto, K.; Fujii, S.; Tomita, K.; Acta Crystallographica Section C 49 (1993) 1125–1127; doi:10.1107/S0108270193001763

data_2001601
_publ_section_title
;
 1-[3-(3,4-Methylenedioxyphenoxy)propyl]-4-phenylpiperazine
 monohydrochloride
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1125
_journal_page_last               1127
_journal_paper_doi               10.1107/S0108270193001763
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C20 H24 N2 O3,H1 Cl1'
_chemical_formula_sum            'C20 H25 Cl N2 O3'
_chemical_formula_weight         376.5
_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                   17.6150(10)
_cell_length_b                   15.400(2)
_cell_length_c                   13.786(2)
_cell_volume                     3739.7(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    1.998
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_F_000             1600
_cod_data_source_file            as0505.cif
_cod_data_source_block           as0505_structure_1_of_1
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19
;
_cod_original_cell_volume        3739.9(8)
_cod_original_formula_sum        'C20 H25 Cl1 N2 O3'
_cod_database_code               2001601
Structure of 2,2-bis(3,5-di-<i>tert</i>-butylphenyl)propane-2',2''-dithiol
Hiller, W.; Rundel, W.; Acta Crystallographica Section C 49 (1993) 1127–1128; doi:10.1107/S0108270193001088

data_2001602
_publ_section_title
;
 Structure of
 2,2-bis(3,5-di-<i>tert</i>-butylphenyl)propane-2',2''-dithiol
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1127
_journal_page_last               1128
_journal_paper_doi               10.1107/S0108270193001088
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C31 H48 S2'
_chemical_formula_weight         484.86
_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                90.0
_cell_angle_beta                 99.410(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   18.479(2)
_cell_length_b                   9.2940(10)
_cell_length_c                   18.126(2)
_cell_volume                     3071.1(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    1.627
_exptl_crystal_density_diffrn    1.049
_exptl_crystal_F_000             1064
_cod_data_source_file            sh1011.cif
_cod_data_source_block           sh1011_structure_1_of_1
_cod_original_cell_volume        3071.3
_cod_database_code               2001602