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_2101723
_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         'C32 H72 Si4'
_chemical_formula_sum            'C32 H72 Si4'
_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                 106.744(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.017(9)
_cell_length_b                   19.639(8)
_cell_length_c                   20.129(2)
_cell_volume                     3792(4)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DAWDIO01
_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 55 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               2101723
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101724
_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         'C2 H5 Cl5 Sn, 2(C4 H12 N)'
_chemical_formula_sum            'C10 H29 Cl5 N2 Sn'
_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                 90.97(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.088(3)
_cell_length_b                   11.237(5)
_cell_length_c                   13.331(3)
_cell_volume                     2110.1(11)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DAWWED01
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27

  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 two 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               2101724
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101725
_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         'C4 H9 Br5 Sn, 2(C4 H12 N)'
_chemical_formula_sum            'C12 H33 Br5 N2 Sn'
_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                 90.30(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.277(4)
_cell_length_b                   11.669(2)
_cell_length_c                   14.163(3)
_cell_volume                     2359.5(9)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DAWWIH01
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27

  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 two 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               2101725
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101726
_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 H18 N4 O2 P2'
_chemical_formula_sum            'C17 H18 N4 O2 P2'
_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            8
_cell_length_a                   20.950
_cell_length_b                   29.162
_cell_length_c                   5.603
_cell_volume                     3423.119
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DELWEW01
_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 21 atoms which were symmetric equivalents of the atoms from
  the asymmetric unit.

  Andrius Merkys
  2013-11-06
;
_cod_database_code               2101726
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101727
_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         'C4 H8 S10 Mo2 Fe, 3(C8 H20 N)'
_chemical_formula_sum            'C28 H68 Fe Mo2 N3 S10'
_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                 96.46(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.003(6)
_cell_length_b                   18.397(7)
_cell_length_c                   17.571(6)
_cell_volume                     4498(3)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DERKOA01
_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 8 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               2101727
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101728
_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         'C12 H9 O3 P Se'
_chemical_formula_sum            'C12 H9 O3 P Se'
_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                   12.522
_cell_length_b                   12.522
_cell_length_c                   13.833
_cell_volume                     1878.427
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DESZUW01
_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 16 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               2101728
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101729
_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 H36 N4 Cl2 Pd2 '
_chemical_formula_sum            'C20 H36 Cl2 N4 Pd2'
_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                 102.940(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.665(2)
_cell_length_b                   14.449(2)
_cell_length_c                   18.402(3)
_cell_volume                     3282.0(9)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DIKWAV01
_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               2101729
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101730
_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         'C4 H8 O2 Cl2 Ge'
_chemical_formula_sum            'C4 H8 Cl2 Ge O2'
_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                 96.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.590(10)
_cell_length_b                   11.72(2)
_cell_length_c                   8.850(10)
_cell_volume                     782.5(19)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DIOXGC01
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-07

  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 4 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               2101730
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101731
_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         'C32 H46 S6 Cr4 Mn'
_chemical_formula_sum            'C32 H46 Cr4 Mn S6'
_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                 135.30(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.540(10)
_cell_length_b                   9.208(3)
_cell_length_c                   21.595(9)
_cell_volume                     3712(3)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DIRVEF01
_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 21 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               2101731
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101732
_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         'C32 H46 S6 Cr4 Fe'
_chemical_formula_sum            'C32 H46 Cr4 Fe S6'
_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                 135.976(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.738(5)
_cell_length_b                   9.1950(10)
_cell_length_c                   21.419(3)
_cell_volume                     3659.6(10)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DIRVIJ01
_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 21 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               2101732
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101733
_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 H38 N4 O7 '
_chemical_formula_sum            'C20 H38 N4 O7'
_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                 125.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.040(8)
_cell_length_b                   9.172(3)
_cell_length_c                   14.873(6)
_cell_volume                     2349.7(15)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DISKEV01
_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 15 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               2101733
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101734
_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         'C40 H88 Si4'
_chemical_formula_sum            'C40 H88 Si4'
_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                 99.98
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.495
_cell_length_b                   21.172
_cell_length_c                   11.554
_cell_volume                     4937.650
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DOHVOL01
_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 66 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               2101734
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101735
_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 H11 O2 Cl4 Sb'
_chemical_formula_sum            'C15 H11 Cl4 O2 Sb'
_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                 131.360(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.706(7)
_cell_length_b                   9.9610(10)
_cell_length_c                   12.404(3)
_cell_volume                     1734.8(8)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DOTJIF01
_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               2101735
The perils of <i>Cc</i> revisited
Marsh, R. E.; Acta Crystallographica Section B 53 (1997) 317–322; doi:10.1107/S010876819601381X

data_2101736
_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         'C40 H74 O8 P4 Rh6'
_chemical_formula_sum            'C40 H74 O8 P4 Rh6'
_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                 111.805(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.002(2)
_cell_length_b                   11.957(3)
_cell_length_c                   22.399(6)
_cell_volume                     5968(2)
_cod_data_source_file            an0533.cif
_cod_data_source_block           CSD_CIF_MIF_DUNPEH01
_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 29 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               2101736