LMucko/crystallography-open-database huggingface dataset:
<i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl] acetate
Friesen, R. W.; Kolaczewska, A. E.; Lough, A. J.; Acta Crystallographica Section C 48 (1992) 1275–1279; doi:10.1107/S0108270191014130

data_2000767
_publ_section_title
;
 <i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and
 <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl]
 acetate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1275
_journal_page_last               1279
_journal_paper_doi               10.1107/S0108270191014130
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C19 H26 I N O4 S'
_chemical_formula_weight         491.4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.75(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.233(3)
_cell_length_b                   13.733(3)
_cell_length_c                   14.169(6)
_cell_volume                     2195.1(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.55
_exptl_crystal_density_diffrn    1.49
_exptl_crystal_F_000             992
_cod_data_source_file            cd0061.cif
_cod_data_source_block           cd0061b
_cod_depositor_comments
;
 Marking atom disorder assemblies after consulting the original publication.
 Atoms 'I' and 'I'' were marked as belonging to the disorder groups '1' and '2'
 of the disorder assembly 'A' with the occupancies of 0.775 and 0.225
 accordingly. Atoms 'H27A', H27B', 'H27C' and 'H27D', 'H27E', 'H27F' were
 marked as belonging to the disorder groups '1' and '2' of the disorder
 assembly 'B' with the occupancies of 0.5 accordingly. Atoms 'H11A', H11B',
 'H11C' and 'H11D', 'H11E', 'H11F' were marked as belonging to the disorder
 groups '1' and '2' of the disorder assembly 'C' with the occupancies of 0.5
 accordingly.

 Antanas Vaitkus,
 2017-01-19

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19
;
_cod_original_cell_volume        2195.1
_cod_original_formula_sum        'C19 H26 I1 N1 O4 S1'
_cod_database_code               2000767
Structures of complexes of 2,3,3a,5,6,6a-hexahydro-3,6-diphenyl-1<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dithione with <i>N</i>-methyl-2-pyrrolidone and dimethyl sulfoxide
Mizuguchi, J.; Rihs, G.; Acta Crystallographica Section C 48 (1992) 1279–1283; doi:10.1107/S0108270191014701

data_2000768
_publ_section_title
;Structures of complexes of
 2,3,3a,5,6,6a-hexahydro-3,6-diphenyl-1<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dithione
 with <i>N</i>-methyl-2-pyrrolidone and dimethyl sulfoxide
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1279
_journal_page_last               1283
_journal_paper_doi               10.1107/S0108270191014701
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C18 H12 N2 S2,2(C5 H9 N1 O1)'
_chemical_formula_sum            'C28 H30 N4 O2 S2'
_chemical_formula_weight         518.6907
_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                96.390(10)
_cell_angle_beta                 110.400(10)
_cell_angle_gamma                93.240(10)
_cell_formula_units_Z            1
_cell_length_a                   7.5270(10)
_cell_length_b                   9.1570(10)
_cell_length_c                   9.9880(10)
_cell_volume                     637.87(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    2.32
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_meas      1.345
_exptl_crystal_F_000             274
_cod_data_source_file            bx0570.cif
_cod_data_source_block           bx0570_structure_1_of_2
_cod_original_cell_volume        637.9(3)
_cod_database_code               2000768
Structures of complexes of 2,3,3a,5,6,6a-hexahydro-3,6-diphenyl-1<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dithione with <i>N</i>-methyl-2-pyrrolidone and dimethyl sulfoxide
Mizuguchi, J.; Rihs, G.; Acta Crystallographica Section C 48 (1992) 1279–1283; doi:10.1107/S0108270191014701

data_2000769
_publ_section_title
;Structures of complexes of
 2,3,3a,5,6,6a-hexahydro-3,6-diphenyl-1<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dithione
 with <i>N</i>-methyl-2-pyrrolidone and dimethyl sulfoxide
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1279
_journal_page_last               1283
_journal_paper_doi               10.1107/S0108270191014701
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C18 H12 N2 S2,2(C2 H6 O1 S1)'
_chemical_formula_sum            'C22 H24 N2 O2 S4'
_chemical_formula_weight         476.6838
_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                 100.320(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.6740(10)
_cell_length_b                   10.3180(10)
_cell_length_c                   8.7610(10)
_cell_volume                     1127.14(19)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    4.25
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_meas      1.398
_exptl_crystal_F_000             500
_cod_data_source_file            bx0570.cif
_cod_data_source_block           bx0570_structure_2_of_2
_cod_original_cell_volume        1127.1(4)
_cod_database_code               2000769
The crystal packing of 4,7-dibromobenzofurazan 1-oxide
Britton, D.; Acta Crystallographica Section C 48 (1992) 1283–1285; doi:10.1107/S0108270191014774

data_2000770
_publ_section_title
;
 The crystal packing of 4,7-dibromobenzofurazan 1-oxide
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1283
_journal_page_last               1285
_journal_paper_doi               10.1107/S0108270191014774
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C6 H2 Br2 N2 O2'
_chemical_formula_weight         293.90
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.97(7)
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   23.08(3)
_cell_length_b                   7.842(3)
_cell_length_c                   28.081(13)
_cell_volume                     4886(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    9.81
_exptl_crystal_density_diffrn    2.396(6)
_exptl_crystal_F_000             3312
_cod_data_source_file            cr0354.cif
_cod_data_source_block           cr0354a
_cod_original_cell_volume        4886.4
_cod_database_code               2000770
Structure of difluorotriphenylphosphorane
Doxsee, K. M.; Hanawalt, E. M.; Weakley, T. J. R.; Acta Crystallographica Section C 48 (1992) 1288–1290; doi:10.1107/S0108270191014889

data_2000771
_publ_section_title
;
 Structure of difluorotriphenylphosphorane
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1288
_journal_page_last               1290
_journal_paper_doi               10.1107/S0108270191014889
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C18 H15 F2 P1'
_chemical_formula_sum            'C18 H15 F2 P'
_chemical_formula_weight         300.29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.105(2)
_cell_length_b                   16.634(3)
_cell_length_c                   14.356(3)
_cell_volume                     1457.9(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.194
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_F_000             624
_cod_data_source_file            hh0563.cif
_cod_data_source_block           hh0563a
_cod_original_cell_volume        1458.0(10)
_cod_original_formula_sum        'C18 H15 F2 P1'
_cod_database_code               2000771
Three substituted hexahydro-5,8-dimethanonaphthalenes
Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P.; Acta Crystallographica Section C 48 (1992) 1290–1294; doi:10.1107/S0108270191014877

data_2000772
_publ_section_title
;
 Three substituted hexahydro-5,8-dimethanonaphthalenes
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1290
_journal_page_last               1294
_journal_paper_doi               10.1107/S0108270191014877
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C13 H14 O3'
_chemical_formula_weight         218.28
_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                 118.37(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.561(4)
_cell_length_b                   6.5980(10)
_cell_length_c                   14.108(4)
_cell_volume                     1110.7(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.086
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_F_000             464
_cod_data_source_file            hh0572.cif
_cod_data_source_block           hh0572_structure_1_of_3
_cod_original_cell_volume        1110.8(6)
_cod_database_code               2000772
Three substituted hexahydro-5,8-dimethanonaphthalenes
Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P.; Acta Crystallographica Section C 48 (1992) 1290–1294; doi:10.1107/S0108270191014877

data_2000773
_publ_section_title
;
 Three substituted hexahydro-5,8-dimethanonaphthalenes
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1290
_journal_page_last               1294
_journal_paper_doi               10.1107/S0108270191014877
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H10 Br2 O2'
_chemical_formula_weight         346.05
_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_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.25(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.556(2)
_cell_length_b                   25.739(10)
_cell_length_c                   7.436(5)
_cell_volume                     1169.5(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.846
_exptl_crystal_density_diffrn    1.970
_exptl_crystal_F_000             672
_cod_data_source_file            hh0572.cif
_cod_data_source_block           hh0572_structure_2_of_3
_cod_original_cell_volume        1170.0(10)
_cod_database_code               2000773
Three substituted hexahydro-5,8-dimethanonaphthalenes
Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P.; Acta Crystallographica Section C 48 (1992) 1290–1294; doi:10.1107/S0108270191014877

data_2000774
_publ_section_title
;
 Three substituted hexahydro-5,8-dimethanonaphthalenes
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1290
_journal_page_last               1294
_journal_paper_doi               10.1107/S0108270191014877
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C13 H16 O3'
_chemical_formula_weight         220.27
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.34(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.827(4)
_cell_length_b                   8.395(2)
_cell_length_c                   12.997(2)
_cell_volume                     1139.2(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.100
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_F_000             472
_cod_data_source_file            hh0572.cif
_cod_data_source_block           hh0572_structure_3_of_3
_cod_original_cell_volume        1139.2(4)
_cod_database_code               2000774
Structure of 2-thionyltrifluoroacetone isonicotinyl hydrazone
Wang, X.; Deng, R.; Wu, J.; Chen, Z.; Acta Crystallographica Section C 48 (1992) 1295–1297; doi:10.1107/S0108270191014762

data_2000775
_publ_section_title
;
 Structure of 2-thionyltrifluoroacetone isonicotinyl hydrazone
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1295
_journal_page_last               1297
_journal_paper_doi               10.1107/S0108270191014762
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C14 H10 F3 N3 O2 S1'
_chemical_formula_sum            'C14 H10 F3 N3 O2 S'
_chemical_formula_weight         341.31
_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                   8.604(2)
_cell_length_b                   14.290(4)
_cell_length_c                   24.924(4)
_cell_volume                     3064.4(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.24
_exptl_crystal_density_diffrn    1.479
_exptl_crystal_F_000             1392
_cod_data_source_file            cr0380.cif
_cod_data_source_block           cr0380a
_cod_original_cell_volume        3064.5
_cod_original_formula_sum        'C14 H10 F3 N3 O2 S1'
_cod_database_code               2000775
Structure of BaCuSi~4~O~10~
Lin, H. C.; Liao, F. L.; Wang, S. L.; Acta Crystallographica Section C 48 (1992) 1297–1299; doi:10.1107/S0108270192001203

data_2000776
_publ_section_title
;
 Structure of BaCuSi~4~O~10~
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1297
_journal_page_last               1299
_journal_paper_doi               10.1107/S0108270192001203
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Ba Cu O10 Si4'
_chemical_formula_weight         473.2
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4ab 2n -1ab'
_symmetry_space_group_name_H-M   'P 4/n c c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.440(2)
_cell_length_b                   7.440(2)
_cell_length_c                   16.097(6)
_cell_volume                     891.0(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    7.359
_exptl_crystal_density_diffrn    3.527
_exptl_crystal_F_000             884
_cod_data_source_file            bx0572.cif
_cod_data_source_block           bx0572a
_cod_depositor_comments
;

Had to add explicit symmetry operators from the CCP4 library to force
origin choice 1.

Saulius Gra\<zulis
;
_cod_original_cell_volume        891.2(4)
_cod_original_sg_symbol_Hall     'P -4 2 -1n'
_cod_original_sg_symbol_H-M      'P 4/n c c {origin @ -4/n c n}'
_cod_original_formula_sum        'Ba1 Cu1 O10 Si4'
_cod_database_code               2000776
Refinement of the structure of barium copper silicate BaCu[Si~4~O~10~] at 300 K
Janczak, J.; Kubiak, R.; Acta Crystallographica Section C 48 (1992) 1299–1301; doi:10.1107/S0108270191014580

data_2000777
_publ_section_title
;
 Refinement of the structure of barium copper silicate BaCu[Si~4~O~10~]
 at 300 K
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1299
_journal_page_last               1301
_journal_paper_doi               10.1107/S0108270191014580
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Ba Cu O10 Si4'
_chemical_formula_weight         473.2
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4ab 2n -1ab'
_symmetry_space_group_name_H-M   'P 4/n c c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4470(10)
_cell_length_b                   7.4470(10)
_cell_length_c                   16.138(2)
_cell_volume                     895.0(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    7.198
_exptl_crystal_density_diffrn    3.512
_exptl_crystal_F_000             884
_cod_data_source_file            ab0258.cif
_cod_data_source_block           ab0258a
_cod_depositor_comments
;

Had to add explicit symmetry operators from the CCP4 library to force
origin choice 1.

Saulius Gra\<zulis
;
_cod_original_sg_symbol_Hall     'P -4 2 -1n'
_cod_original_sg_symbol_H-M      'P 4/n c c {origin @ -4/n c n}'
_cod_original_formula_sum        'Ba1 Cu1 O10 Si4'
_cod_database_code               2000777
Structure of KErTe~2~
Keane, P. M.; Ibers, J. A.; Acta Crystallographica Section C 48 (1992) 1301–1303; doi:10.1107/S0108270191014208

data_2000778
_publ_section_title
;
 Structure of KErTe~2~
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1301
_journal_page_last               1303
_journal_paper_doi               10.1107/S0108270191014208
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Er K Te2'
_chemical_formula_weight         461.56
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            3
_cell_length_a                   4.410(2)
_cell_length_b                   4.410(2)
_cell_length_c                   24.27(2)
_cell_volume                     408.8(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7093
_exptl_absorpt_coefficient_mu    26.7
_exptl_crystal_density_diffrn    5.626
_exptl_crystal_F_000             189.1
_cod_data_source_file            st0551.cif
_cod_data_source_block           st0551a
_cod_original_cell_volume        264.9(4)
_cod_original_sg_symbol_H-M      'R -3 m {hexagonal axes}'
_cod_original_formula_sum        'Er1 K1 Te2'
_cod_database_code               2000778
Structure of {<i>ad</i>,<i>be</i>-bis[(8-dimethylamino-κ<i>N</i>)naphthyl-κ<i>C</i>^1^]}-<i>f</i>-ethyl-<i>c</i>-iodoplatinum(IV)
Smeets, W. J. J.; Spek, A. L.; van Beek, J. A. M.; van Koten, G.; Acta Crystallographica Section C 48 (1992) 1303–1305; doi:10.1107/S0108270192001616

data_2000779
_publ_section_title
;Structure of
 {<i>ad</i>,<i>be</i>-bis[(8-dimethylamino-\k<i>N</i>)naphthyl-\k<i>C</i>^1^]}-<i>f</i>-ethyl-<i>c</i>-iodoplatinum(IV)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1303
_journal_page_last               1305
_journal_paper_doi               10.1107/S0108270192001616
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C26 H29 I N2 Pt'
_chemical_formula_weight         691.51
_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                 103.290(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.9020(10)
_cell_length_b                   10.815(4)
_cell_length_c                   14.9410(10)
_cell_volume                     2343.5(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    7.37
_exptl_crystal_density_diffrn    1.960
_exptl_crystal_F_000             1320
_cod_data_source_file            ge0287.cif
_cod_data_source_block           ge0287a
_cod_original_cell_volume        2343.3(3)
_cod_original_formula_sum        'C26 H29 I1 N2 Pt1'
_cod_database_code               2000779
Bis[2-(2-hydroxyethyl)piperazinium] hexachloroosmate(IV) dichloride
Arrieta, J. M.; Germain, G.; Vlassi, M.; Craciunescu, D. G.; Parrondo Iglesias, E.; Debaerdemaeker, T.; Acta Crystallographica Section C 48 (1992) 1305–1307; doi:10.1107/S0108270191014117

data_2000780
_publ_section_title
;
 Bis[2-(2-hydroxyethyl)piperazinium] hexachloroosmate(IV) dichloride
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1305
_journal_page_last               1307
_journal_paper_doi               10.1107/S0108270191014117
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C6 H15 N2 O1),Cl6 Os1,2(H1 Cl1)'
_chemical_formula_sum            'C12 H32 Cl8 N4 O2 Os'
_chemical_formula_weight         738.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.06(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.252(3)
_cell_length_b                   9.176(2)
_cell_length_c                   11.974(8)
_cell_volume                     1219.4(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    6.14
_exptl_crystal_density_diffrn    2.01
_exptl_crystal_F_000             720
_cod_data_source_file            ab0247.cif
_cod_data_source_block           ab0247a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-07
;
_cod_original_cell_volume        1219.0(10)
_cod_original_formula_sum        'C12 H32 Cl8 N4 O2 Os1'
_cod_database_code               2000780