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#$Date: 2017-08-03 02:37:41 +0300 (Thu, 03 Aug 2017) $
#$Revision: 199473 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/34/2103400.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2103400
loop_
_publ_author_name
'Marsh, Richard E.'
_publ_section_title
;
 The space groups of point group C₃: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C12 H24 N6 O6 Cl Bi3, 2Cl, 6(H2 O)'
_chemical_formula_sum            'C12 H36 Bi3 Cl3 N6 O12'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R 3 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            3
_cell_length_a                   8.114
_cell_length_b                   8.114
_cell_length_c                   35.96
_cell_volume                     2050.314
_cod_data_source_file            bk0117.cif
_cod_data_source_block           PERRAF
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_sg_symbol_H-M      'R 32'
_cod_original_formula_sum        'C12 H36 N6 O12 Cl3 Bi3'
_cod_database_code               2103400
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Bi -0.2693 0.0 0.0
Cl1 0.0 0.0 0.6661
Cl2 0.0 0.0 0.8020
O1 0.000 0.204 0.0346
N -0.348 0.000 0.0692
C1 -0.178 0.000 0.0870
C2 -0.001 0.180 0.0736
O3 0.0 0.0 0.5430
O5 0.698 0.698 0.5
