LMucko/crystallography-open-database huggingface dataset:
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101793
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C37 H40 O2 Ti2'
_chemical_formula_sum            'C37 H40 O2 Ti2'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 101.53(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.448(7)
_cell_length_b                   8.483(2)
_cell_length_c                   14.512(3)
_cell_volume                     3069.6(13)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_SOMJEJ01
_cod_depositor_comments
;

  Added moiety chemical formula from Marsh (1997) paper. The summary
  chemical formula is calculated from moiety formula using 'AdHocParser'
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Removing 40 atoms which were symmetric equivalents of the atoms from
  the asymmetric unit.

  Andrius Merkys
  2013-11-06
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2101793
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101794
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C20 H24 O12 S4 Rh6, C6 H14 '
_chemical_formula_sum            'C26 H38 O12 Rh6 S4'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 104.27(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.444(7)
_cell_length_b                   9.764(4)
_cell_length_c                   19.589(9)
_cell_volume                     3790(3)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_SOTPAS01
_cod_depositor_comments
;
 Marking attached hydrogen comments.

 Antanas Vaitkus,
 2017-03-25

  Added moiety chemical formula from Marsh (1997) paper. The summary
  chemical formula is calculated from moiety formula using 'AdHocParser'
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Removing 20 atoms which were symmetric equivalents of the atoms from
  the asymmetric unit.

  Andrius Merkys
  2013-11-06
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2101794
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101795
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C73 H108 O12 '
_chemical_formula_sum            'C73 H108 O12'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 94.50(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.442(8)
_cell_length_b                   10.051(3)
_cell_length_c                   27.062(10)
_cell_volume                     6899(4)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_TARBOD01
_cod_depositor_comments
;

  Added moiety chemical formula from Marsh (1997) paper. The summary
  chemical formula is calculated from moiety formula using 'AdHocParser'
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Removing 96 atoms which were symmetric equivalents of the atoms from
  the asymmetric unit.

  Andrius Merkys
  2013-11-06
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2101795
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101796
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C13 H10 N2 Br2 '
_chemical_formula_sum            'C13 H10 Br2 N2'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 104.09(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.972(3)
_cell_length_b                   10.537(2)
_cell_length_c                   9.567(2)
_cell_volume                     1268.3(5)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_VAWNAI01
_cod_depositor_comments
;

  Added moiety chemical formula from Marsh (1997) paper. The summary
  chemical formula is calculated from moiety formula using 'AdHocParser'
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Removing 13 atoms which were symmetric equivalents of the atoms from
  the asymmetric unit.

  Andrius Merkys
  2013-11-06
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2101796
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101797
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C31 H29 N5 Cl2 S2 Co, 3.12(C H3 O H)'
_chemical_formula_sum            'C34.12 H41.48 Cl2 Co N5 O3.12 S2'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 122.09(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.715(4)
_cell_length_b                   18.401(4)
_cell_length_c                   12.794(3)
_cell_volume                     3732.8(17)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_VETFIJ01
_cod_depositor_comments
;
  Updating the values of the _chemical_formula_moiety and _chemical_formula_sum
  data items.

  Antanas Vaitkus
  2017-08-02

  Added moiety chemical formula from Marsh (1997) paper. The summary
  chemical formula is calculated from moiety formula using 'AdHocParser'
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Removing 33 atoms which were symmetric equivalents of the atoms from
  the asymmetric unit.

  Andrius Merkys
  2013-11-06
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2101797
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101798
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C16 H23 P S4 Ni W'
_chemical_formula_sum            'C16 H23 Ni P S4 W'
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   17.470
_cell_length_b                   25.519(11)
_cell_length_c                   19.900
_cell_volume                     8872(4)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_VICZUC01
_cod_depositor_comments
;

  Added moiety chemical formula from Marsh (1997) 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
  2013-11-06
;
_cod_database_code               2101798
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101799
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C42 H34 N2 O6 Cl2 P2 Rh2, 2(C2 H4 Cl2)'
_chemical_formula_sum            'C46 H42 Cl6 N2 O6 P2 Rh2'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 111.446(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.808(2)
_cell_length_b                   12.368(2)
_cell_length_c                   20.514(2)
_cell_volume                     4913.8(11)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_VOGHII01
_cod_depositor_comments
;

  Added moiety chemical formula from Marsh (1997) paper. The summary
  chemical formula is calculated from moiety formula using 'AdHocParser'
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Removing 45 atoms which were symmetric equivalents of the atoms from
  the asymmetric unit.

  Andrius Merkys
  2013-11-06
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2101799
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101800
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C21 H50 O8 Cl4 Al4'
_chemical_formula_sum            'C21 H50 Al4 Cl4 O8'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 97.67(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.805(5)
_cell_length_b                   12.727(3)
_cell_length_c                   18.157(5)
_cell_volume                     3619.6(17)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_VUNSAY01
_cod_depositor_comments
;

  Added moiety chemical formula from Marsh (1997) paper. The summary
  chemical formula is calculated from moiety formula using 'AdHocParser'
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Removing 17 atoms which were symmetric equivalents of the atoms from
  the asymmetric unit.

  Andrius Merkys
  2013-11-06
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2101800
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101801
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C6 H9 O6 As'
_chemical_formula_sum            'C6 H9 As O6'
_space_group_IT_number           161
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   13.203
_cell_length_b                   13.203
_cell_length_c                   9.639
_cell_volume                     1455.150
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_WAKMEA01
_cod_depositor_comments
;

  Added moiety chemical formula from Marsh (1997) paper. The summary
  chemical formula is calculated from moiety formula using 'AdHocParser'
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Removing 14 atoms which were symmetric equivalents of the atoms from
  the asymmetric unit.

  Andrius Merkys
  2013-11-06
;
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               2101801
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101802
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C17 H15 N Fe'
_chemical_formula_sum            'C17 H15 Fe N'
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   37.329(9)
_cell_length_b                   24.606
_cell_length_c                   5.876(3)
_cell_volume                     5397(3)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_WESDUT01
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-02

  Added moiety chemical formula from Marsh (1997) 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
  2013-11-06
;
_cod_database_code               2101802
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101803
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C6 H4 N2 O2 '
_chemical_formula_sum            'C6 H4 N2 O2'
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   15.0440(10)
_cell_length_b                   32.288
_cell_length_c                   5.2880(10)
_cell_volume                     2568.6(5)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_YACGAK01
_cod_depositor_comments
;

  Added moiety chemical formula from Marsh (1997) 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
  2013-11-06
;
_cod_database_code               2101803
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101804
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C15 H38 N O8 S2 P4 Co, 2(B F4)'
_chemical_formula_sum            'C15 H38 B2 Co F8 N O8 P4 S2'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 101.69(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.154(5)
_cell_length_b                   12.533(2)
_cell_length_c                   14.447(3)
_cell_volume                     3218.9(12)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_YAJZUE01
_cod_depositor_comments
;

  Added moiety chemical formula from Marsh (1997) paper. The summary
  chemical formula is calculated from moiety formula using 'AdHocParser'
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Removing 14 atoms which were symmetric equivalents of the atoms from
  the asymmetric unit.

  Andrius Merkys
  2013-11-06
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2101804
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101805
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         '2(C14 H8 S12), C12 H4 N4'
_chemical_formula_sum            'C40 H20 N4 S24'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 90.65(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.900(3)
_cell_length_b                   7.740(2)
_cell_length_c                   49.850(10)
_cell_volume                     4977(2)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_YEYNAR01
_cod_depositor_comments
;

  Added moiety chemical formula from Marsh (1997) paper. The summary
  chemical formula is calculated from moiety formula using 'AdHocParser'
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Removing 10 atoms which were symmetric equivalents of the atoms from
  the asymmetric unit.

  Andrius Merkys
  2013-11-06
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2101805
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101806
_publ_section_title
;
 The perils of <i>Cc</i> revisited
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1107/S010876819601381X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C17 H24 O'
_chemical_formula_sum            'C17 H24 O'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CSD-QUEST3D-V5
_cell_angle_alpha                90
_cell_angle_beta                 115.020(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7920(10)
_cell_length_b                   16.978(3)
_cell_length_c                   9.3710(10)
_cell_volume                     1411.7(3)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_YIDYAL01
_cod_depositor_comments
;

  Added moiety chemical formula from Marsh (1997) paper. The summary
  chemical formula is calculated from moiety formula using 'AdHocParser'
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Removing 20 atoms which were symmetric equivalents of the atoms from
  the asymmetric unit.

  Andrius Merkys
  2013-11-06
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2101806