LMucko/crystallography-open-database huggingface dataset:
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102340
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C26 H26 N2 O2, C2 H5 O H'
_chemical_formula_sum            'C28 H32 N2 O3'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           43
_symmetry_space_group_name_H-M   'F d d 2'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   33.2050
_cell_length_b                   34.3270
_cell_length_c                   8.4420
_cell_volume                     9622.428
_cod_data_source_file            bk0142.cif
_cod_data_source_block           GIZROW
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      Fdd2
_cod_database_code               2102340
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102341
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C32 H30 N2 O4 Co'
_chemical_formula_sum            'C32 H30 Co N2 O4'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 107.01
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.7050
_cell_length_b                   16.8830
_cell_length_c                   10.6670
_cell_volume                     2876.812
_cod_data_source_file            bk0142.cif
_cod_data_source_block           GOBHEK
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102341
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102342
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C19 H18 O3'
_chemical_formula_sum            'C19 H18 O3'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           41
_symmetry_space_group_name_H-M   'A b a 2'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4127
_cell_length_b                   34.0300
_cell_length_c                   6.1829
_cell_volume                     1559.662
_cod_data_source_file            bk0142.cif
_cod_data_source_block           GOLGOD
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      Aba2
_cod_database_code               2102342
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102343
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C12 H16 N6 O2'
_chemical_formula_sum            'C12 H16 N6 O2'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 109.04
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7610
_cell_length_b                   14.5210
_cell_length_c                   10.2151
_cell_volume                     1368.671
_cod_data_source_file            bk0142.cif
_cod_data_source_block           GOTMOR
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102343
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102344
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C22 H28 N5 O16 Pr, 2(C2 H3 N)'
_chemical_formula_sum            'C26 H34 N7 O16 Pr'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 97.37
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.3240
_cell_length_b                   11.4560
_cell_length_c                   14.4950
_cell_volume                     3511.697
_cod_data_source_file            bk0142.cif
_cod_data_source_block           HEDKAC
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-24

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102344
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102345
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C34 H62 O2 Si3 Sm'
_chemical_formula_sum            'C34 H62 O2 Si3 Sm'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 103.45
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.3090
_cell_length_b                   17.1530
_cell_length_c                   19.4960
_cell_volume                     4003.416
_cod_data_source_file            bk0142.cif
_cod_data_source_block           HISMEB
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

 Changing the _chemical_formula_moiety data item value from
 'C34 H62 O2 Si3 Sn' to 'C34 H62 O2 Si3 Sm' and updating the
 _chemical_formula_sum data item value accordingly after consulting
 the publication of the authors that originally solved the structure
 (Ihara, E., Nodono, M., Katsura, K., Adachi, Y., Yasuda, H., Yamagashira, M.,
 Hashimoto, H., Kanehisa, N. & Kai, Y. (1998). Organometallics 17, 3945-3956,
 doi: 10.1021/om971099u).

 Antanas Vaitkus,
 2017-08-04

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102345
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102346
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C32 H50 O4 Zn'
_chemical_formula_sum            'C32 H50 O4 Zn'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 120.57
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.0790
_cell_length_b                   9.9730
_cell_length_c                   14.8280
_cell_volume                     3065.874
_cod_data_source_file            bk0142.cif
_cod_data_source_block           HOBHIP
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102346
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102347
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C16 H22 Cl2 Zr'
_chemical_formula_sum            'C16 H22 Cl2 Zr'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 122.49
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.0630
_cell_length_b                   6.8360
_cell_length_c                   16.4920
_cell_volume                     1622.588
_cod_data_source_file            bk0142.cif
_cod_data_source_block           HOBYAY
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102347
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102348
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C56 H34 N6 O Zn, C H2 Cl2, H2 O'
_chemical_formula_sum            'C57 H38 Cl2 N6 O2 Zn'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           46
_symmetry_space_group_name_H-M   'I m a 2'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.6390
_cell_length_b                   12.5480
_cell_length_c                   12.3550
_cell_volume                     4439.920
_cod_data_source_file            bk0142.cif
_cod_data_source_block           HOKQED
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-11-30

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      Ima2
_cod_database_code               2102348
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102349
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C28 H34 N8 S4 Sn, 2(N O3)'
_chemical_formula_sum            'C28 H34 N10 O6 S4 Sn'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 93.88
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.2740
_cell_length_b                   12.0120
_cell_length_c                   16.4770
_cell_volume                     3608.532
_cod_data_source_file            bk0142.cif
_cod_data_source_block           HORJED
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102349
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102350
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C20 H30 Cl2 P2 S2 Ru, C6 H6'
_chemical_formula_sum            'C26 H36 Cl2 P2 Ru S2'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           43
_symmetry_space_group_name_H-M   'F d d 2'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.9810
_cell_length_b                   16.7330
_cell_length_c                   15.4200
_cell_volume                     6187.646
_cod_data_source_file            bk0142.cif
_cod_data_source_block           HOTRIR
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      Fdd2
_cod_database_code               2102350
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102351
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C38 H48 N2 O4 Rh'
_chemical_formula_sum            'C38 H48 N2 O4 Rh'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 112.76
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7120
_cell_length_b                   29.8340
_cell_length_c                   12.1080
_cell_volume                     3568.192
_cod_data_source_file            bk0142.cif
_cod_data_source_block           HOWBUQ
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102351
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102352
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C30 H45 Sn2, C24 F20 Ga'
_chemical_formula_sum            'C54 H45 F20 Ga Sn2'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 115.11
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.1470
_cell_length_b                   15.0920
_cell_length_c                   17.3520
_cell_volume                     5251.667
_cod_data_source_file            bk0142.cif
_cod_data_source_block           HUCLOG
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102352