LMucko/crystallography-open-database huggingface dataset:
Structure of potassium dichloro(ethylenediaminetetraacetato)ruthenate(III)
Taqui Khan, M. M.; Bhadbhade, M. M.; Venkatasubramanian, K.; Siddiqui, M. R. H.; Acta Crystallographica Section C 48 (1992) 1202–1204; doi:10.1107/S0108270191013999

data_2000740
_publ_section_title
;
 Structure of potassium
 dichloro(ethylenediaminetetraacetato)ruthenate(III)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1202
_journal_page_last               1204
_journal_paper_doi               10.1107/S0108270191013999
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C10 H14 Cl2 N2 O8 Ru1,K1'
_chemical_formula_sum            'C10 H14 Cl2 K N2 O8 Ru'
_chemical_formula_weight         501
_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                 106.100(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4470(6)
_cell_length_b                   13.947(2)
_cell_length_c                   11.296(3)
_cell_volume                     1581.3(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.613
_exptl_crystal_density_diffrn    2.097
_exptl_crystal_F_000             996
_cod_data_source_file            ha0077.cif
_cod_data_source_block           ha0077a
_cod_original_cell_volume        1581.0(10)
_cod_original_formula_sum        'C10 H14 Cl2 K1 N2 O8 Ru1'
_cod_database_code               2000740
Structure of tetraethylammonium nonacarbonyl-μ~3~-{[dichloro(undecacarbonylcobaltio)silyl]oxymethylidyne}-tricobaltate, [Et~4~N][Cl~2~SiCo~7~(CO)~21~]
Barris, G. C.; Mackay, K. M.; Nicholson, B. K.; Acta Crystallographica Section C 48 (1992) 1204–1207; doi:10.1107/S0108270191013641

data_2000741
_publ_section_title
;Structure of tetraethylammonium
 nonacarbonyl-\m~3~-{[dichloro(undecacarbonylcobaltio)silyl]oxymethylidyne}-tricobaltate,
 [Et~4~N][Cl~2~SiCo~7~(CO)~21~]
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1204
_journal_page_last               1207
_journal_paper_doi               10.1107/S0108270191013641
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C29 H20 Cl2 Co7 N1 O21 Si1'
_chemical_formula_sum            'C29 H20 Cl2 Co7 N O21 Si'
_chemical_formula_weight         1230
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.28(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.110(4)
_cell_length_b                   22.472(9)
_cell_length_c                   21.010(10)
_cell_volume                     4283(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    2.9
_exptl_crystal_density_diffrn    1.91
_exptl_crystal_F_000             2424
_cod_data_source_file            li0098.cif
_cod_data_source_block           li0098a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C29 H20 Cl2 Co7 N1 O21 Si1'
_cod_database_code               2000741
Structure of 1,6-hexanediammonium metavanadate
Tyršelová, J.; Pavelčík, F.; Acta Crystallographica Section C 48 (1992) 1207–1209; doi:10.1107/S0108270191014269

data_2000742
_publ_section_title
;
 Structure of 1,6-hexanediammonium metavanadate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1207
_journal_page_last               1209
_journal_paper_doi               10.1107/S0108270191014269
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C6 H18 N2,O6 V2'
_chemical_formula_sum            'C6 H18 N2 O6 V2'
_chemical_formula_weight         316.10
_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            4
_cell_length_a                   5.379(4)
_cell_length_b                   11.074(9)
_cell_length_c                   19.582(17)
_cell_volume                     1166.4(16)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.565
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_density_meas      1.760(10)
_exptl_crystal_F_000             648
_cod_data_source_file            ab0238.cif
_cod_data_source_block           ab0238a
_cod_original_cell_volume        1166.4(17)
_cod_database_code               2000742
[(Methyldiphenylphosphonio)methanide]tris(pentafluorophenyl)gold(III) acetone solvate
Jones, P. G.; Acta Crystallographica Section C 48 (1992) 1209–1211; doi:10.1107/S0108270191013914

data_2000743
_publ_section_title
;
 [(Methyldiphenylphosphonio)methanide]tris(pentafluorophenyl)gold(III)
 acetone solvate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1209
_journal_page_last               1211
_journal_paper_doi               10.1107/S0108270191013914
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C32 H15 Au1 F15 P1,C3 H6 O1'
_chemical_formula_sum            'C35 H21 Au F15 O P'
_chemical_formula_weight         970.45
_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                108.77(2)
_cell_angle_beta                 101.69(2)
_cell_angle_gamma                112.070(10)
_cell_formula_units_Z            2
_cell_length_a                   11.258(3)
_cell_length_b                   13.586(3)
_cell_length_c                   13.969(3)
_cell_volume                     1742.6(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.4
_exptl_crystal_density_diffrn    1.850
_exptl_crystal_F_000             936
_cod_data_source_file            ha0089.cif
_cod_data_source_block           ha0089a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        1742.0(10)
_cod_original_formula_sum        'C35 H21 Au1 F15 O1 P1'
_cod_database_code               2000743
Structure of <i>trans</i>-tetraaquabis(trimethylammonioacetato)cobalt(II) dichloride tetrahydrate
Chen, X.-M.; Mak, T. C. W.; Acta Crystallographica Section C 48 (1992) 1211–1214; doi:10.1107/S0108270191014373

data_2000744
_publ_section_title
;
 Structure of
 <i>trans</i>-tetraaquabis(trimethylammonioacetato)cobalt(II)
 dichloride tetrahydrate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1211
_journal_page_last               1214
_journal_paper_doi               10.1107/S0108270191014373
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C10 H30 Co1 N2 O8,2(Cl),4(H2 O1)'
_chemical_formula_sum            'C10 H38 Cl2 Co N2 O12'
_chemical_formula_weight         508.33
_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                 103.67(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.530(2)
_cell_length_b                   11.9280(10)
_cell_length_c                   12.118(3)
_cell_volume                     1198.0(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.99
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_meas      1.405
_exptl_crystal_F_000             538
_cod_data_source_file            as0565.cif
_cod_data_source_block           as0565a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-17
;
_cod_original_cell_volume        1204.9(2)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C10 H38 Cl2 Co1 N2 O12'
_cod_database_code               2000744
Structure of dithiocyanato[({-})-spartein]cobalt(II)
Jupp, K. M.; Raithby, P. R.; Acta Crystallographica Section C 48 (1992) 1214–1216; doi:10.1107/S0108270191014439

data_2000745
_publ_section_title
;
 Structure of dithiocyanato[({-})-spartein]cobalt(II)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1214
_journal_page_last               1216
_journal_paper_doi               10.1107/S0108270191014439
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H26 Co N4 S2'
_chemical_formula_weight         409.5
_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                   8.014(4)
_cell_length_b                   13.660(7)
_cell_length_c                   18.023(7)
_cell_volume                     1973.0(16)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.077
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_F_000             860
_cod_data_source_file            ha0093.cif
_cod_data_source_block           ha0093a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_formula_sum        'C17 H26 Co1 N4 S2'
_cod_database_code               2000745
Structure of bis(methylenedithio)tetrathiafulvalene dicyanoargentate(I)
Morosin, B.; Nigrey, P. J.; Acta Crystallographica Section C 48 (1992) 1216–1218; doi:10.1107/S0108270191014282

data_2000746
_publ_section_title
;
 Structure of bis(methylenedithio)tetrathiafulvalene
 dicyanoargentate(I)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1216
_journal_page_last               1218
_journal_paper_doi               10.1107/S0108270191014282
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C8 H4 S8,C2 Ag1 N2'
_chemical_formula_sum            'C10 H4 Ag N2 S8'
_chemical_formula_weight         516.54
_space_group_crystal_system      orthorhombic
_space_group_IT_number           58
_space_group_name_Hall           '-P 2n 2'
_space_group_name_H-M_alt        'P m n n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.794(3)
_cell_length_b                   20.333(7)
_cell_length_c                   4.247(2)
_cell_volume                     759.4(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.363
_exptl_crystal_density_diffrn    2.261
_exptl_crystal_F_000             506
_cod_data_source_file            st0531.cif
_cod_data_source_block           st0531a
_cod_original_cell_volume        759.27
_cod_original_formula_sum        'C10 H4 Ag1 N2 S8'
_cod_database_code               2000746
Structure of bis(<i>n</i>-butylammonium) tetrachlorocadmate(II)
Doudin, B.; Chapuis, G.; Acta Crystallographica Section C 48 (1992) 1218–1220; doi:10.1107/S010827019101452X

data_2000747
_publ_section_title
;
 Structure of bis(<i>n</i>-butylammonium) tetrachlorocadmate(II)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1218
_journal_page_last               1220
_journal_paper_doi               10.1107/S010827019101452X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C4 H12 N1),Cd1 Cl4'
_chemical_formula_sum            'C8 H24 Cd Cl4 N2'
_chemical_formula_weight         402.52
_space_group_crystal_system      orthorhombic
_space_group_IT_number           64
_space_group_name_Hall           '-A 2ab 2ab'
_space_group_name_H-M_alt        'A e m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5380(10)
_cell_length_b                   7.416(3)
_cell_length_c                   30.803(4)
_cell_volume                     1722.0(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.85
_exptl_crystal_F_000             815.9
_cod_data_source_file            mu0240.cif
_cod_data_source_block           mu0240a
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-10
;
_cod_original_sg_symbol_Hall     '-A 2ab -2ab'
_cod_original_sg_symbol_H-M      Abma
_cod_original_formula_sum        'C8 H24 Cd1 Cl4 N2'
_cod_database_code               2000747
Structure of bis(<i>n</i>-butylammonium) tetrachlorocadmate(II)
Doudin, B.; Chapuis, G.; Acta Crystallographica Section C 48 (1992) 1218–1220; doi:10.1107/S010827019101452X

data_2000748
_publ_section_title
;
 Structure of bis(<i>n</i>-butylammonium) tetrachlorocadmate(II)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1218
_journal_page_last               1220
_journal_paper_doi               10.1107/S010827019101452X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C4 H12 N1),Cd1 Cl4'
_chemical_formula_sum            'C8 H24 Cd Cl4 N2'
_chemical_formula_weight         402.52
_space_group_crystal_system      orthorhombic
_space_group_IT_number           64
_space_group_name_Hall           '-A 2ab 2ab'
_space_group_name_H-M_alt        'A e m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5380(10)
_cell_length_b                   7.416(3)
_cell_length_c                   30.803(4)
_cell_volume                     1722.0(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.85
_exptl_crystal_F_000             815.9
_cod_data_source_file            mu0240.cif
_cod_data_source_block           mu0240b
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-10
;
_cod_original_sg_symbol_Hall     '-A 2ab -2ab'
_cod_original_sg_symbol_H-M      Abma
_cod_original_formula_sum        'C8 H24 Cd1 Cl4 N2'
_cod_database_code               2000748
Structure of chlorotris(1,2,4,5,6,7-hexamethylindenyl)uranium(IV)
Spirlet, M. R.; Rebizant, J.; Bettonville, S.; Goffart, J.; Acta Crystallographica Section C 48 (1992) 1221–1223; doi:10.1107/S0108270191014592

data_2000749
_publ_section_title
;
 Structure of chlorotris(1,2,4,5,6,7-hexamethylindenyl)uranium(IV)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1221
_journal_page_last               1223
_journal_paper_doi               10.1107/S0108270191014592
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C45 H57 Cl U'
_chemical_formula_weight         871.44
_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                85.24(4)
_cell_angle_beta                 82.673(5)
_cell_angle_gamma                67.37(4)
_cell_formula_units_Z            2
_cell_length_a                   10.081(4)
_cell_length_b                   13.339(4)
_cell_length_c                   15.083(3)
_cell_volume                     1855.5(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.2491
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_F_000             872
_cod_data_source_file            ab0235.cif
_cod_data_source_block           ab0235a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        1856.0(10)
_cod_original_formula_sum        'C45 H57 Cl1 U1'
_cod_database_code               2000749
Structure of barium guanosine 5'-monophosphate
Churchill, M. E. A.; Pritchard, R. G.; Helliwell, M.; Acta Crystallographica Section C 48 (1992) 1223–1227; doi:10.1107/S0108270192001136

data_2000750
_publ_section_title
;
 Structure of barium guanosine 5'-monophosphate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1223
_journal_page_last               1227
_journal_paper_doi               10.1107/S0108270192001136
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H44 Ba2 N10 O28 P2'
_chemical_formula_weight         1209.22
_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                   21.37(2)
_cell_length_b                   22.040(10)
_cell_length_c                   8.660(10)
_cell_volume                     4079(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.101
_exptl_crystal_density_diffrn    1.970
_exptl_crystal_F_000             24000
_cod_data_source_file            se0083.cif
_cod_data_source_block           se0083a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        4076.0(10)
_cod_database_code               2000750
The structure of triphenylgermanium hydroxide
Ferguson, G.; Gallagher, J. F.; Murphy, D.; Spalding, T. R.; Glidewell, C.; Holden, H. D.; Acta Crystallographica, Section C: Crystal Structure Communications 48 (1992) 1228–1231; doi:10.1107/S0108270191015056

data_2000751
_publ_section_title
;
 The structure of triphenylgermanium hydroxide
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   7
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1228
_journal_page_last               1231
_journal_paper_doi               10.1107/S0108270191015056
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H16 Ge O'
_chemical_formula_weight         320.9
_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                107.78(4)
_cell_angle_beta                 103.54(4)
_cell_angle_gamma                101.51(3)
_cell_formula_units_Z            16
_cell_length_a                   15.408(6)
_cell_length_b                   19.974(7)
_cell_length_c                   23.264(11)
_cell_volume                     6338(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.91
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_F_000             2624
_cod_data_source_file            mu0293.cif
_cod_data_source_block           mu0293a
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-28

 Updated bibliographical information.

 Antanas Vaitkus
 2019-09-13

 Marked attached hydrogen atoms after consulting the original publication.

 Antanas Vaitkus
 2019-09-13

 Changed the y coordinate of the "H15F" atom from "1.047" to "1.1047". This
 resulted in a more reasonable position of the atom with the carbon-hydrogen
 bond distance of 0.95 \%A.

 Antanas Vaitkus
 2019-09-13

 Corrected the "_geom_angle_atom_site_label_1" data item value by changing
 it from "Of" to "OF".

 Antanas Vaitkus
 2019-09-13
;
_cod_original_formula_sum        'C18 H16 Ge1 O1'
_cod_database_code               2000751
Structure of <i>catena</i>-poly[{(2,2'-bipyridyl)(diperchlorato)copper(II)}-μ-4,4'-bipyridyl]
Chen, C.; Xu, D.; Xu, Y.; Cheng, C.; Ling, R.; Acta Crystallographica Section C 48 (1992) 1231–1233; doi:10.1107/S0108270191014361

data_2000752
_publ_section_title
;Structure of
 <i>catena</i>-poly[{(2,2'-bipyridyl)(diperchlorato)copper(II)}-\m-4,4'-bipyridyl]
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1231
_journal_page_last               1233
_journal_paper_doi               10.1107/S0108270191014361
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H16 Cl2 Cu N4 O8'
_chemical_formula_weight         574.5
_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                   12.413(3)
_cell_length_b                   14.645(3)
_cell_length_c                   12.287(2)
_cell_volume                     2233.6(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.312
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_F_000             1164
_cod_data_source_file            as0546.cif
_cod_data_source_block           as0546a
_cod_original_formula_sum        'C20 H16 Cl2 Cu1 N4 O8'
_cod_database_code               2000752