#------------------------------------------------------------------------------
#$Date: 2018-06-14 06:45:12 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208362 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/23/2102396.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_2102396
loop_
_publ_author_name
'Marsh, Richard E.'
_publ_section_title
;
 Space group Cc: 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         'C8 H22 N2 I4 Pt2'
_chemical_formula_sum            'C8 H22 I4 N2 Pt2'
_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                 100.47
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.5580
_cell_length_b                   7.2540
_cell_length_c                   13.7900
_cell_volume                     2022.232
_cod_data_source_file            bk0142.cif
_cod_data_source_block           NURNIX
_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               2102396
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z+1/2
3 -x,-y,-z
4 x,-y,z+1/2
5 x+1/2,y+1/2,z
6 -x+1/2,y+1/2,-z+1/2
7 -x+1/2,-y+1/2,-z
8 x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pt1 Pt 0.33871 0.81975 -0.00718
I1 I 0.27778 0.64955 0.11520
I2 I 0.45139 0.77225 0.10680
N1 N 0.38460 0.96510 -0.10475
H1 H 0.42750 0.97550 -0.07500
C1 C 0.38490 0.86945 -0.20125
H3 H 0.40750 0.94650 -0.24250
H4 H 0.33950 0.85250 -0.23450
C3 C 0.36030 1.15535 -0.12325
H7 H 0.31450 1.15300 -0.15650
H8 H 0.38650 1.21750 -0.16550
C7 C 0.41900 0.68370 -0.18825
H17 H 0.40950 0.61800 -0.24550
H19 H 0.46350 0.69950 -0.17250
H18 H 0.40600 0.61600 -0.13900
C8 C 0.36545 1.25980 -0.02560
H20 H 0.34050 1.36350 -0.03450
H22 H 0.35050 1.18750 0.01900
H21 H 0.40800 1.29350 -0.00050
