#------------------------------------------------------------------------------
#$Date: 2018-06-14 06:45:12 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208362 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/24/2102403.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_2102403
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         'C10 H14 N6 O4 Ge'
_chemical_formula_sum            'C10 H14 Ge N6 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                 93.70
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1990
_cell_length_b                   12.6320
_cell_length_c                   12.5320
_cell_volume                     1453.205
_cod_data_source_file            bk0142.cif
_cod_data_source_block           QEQZER
_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               2102403
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
Ge1 Ge 0.00000 0.22897 0.25000
O1 O -0.18435 0.22585 0.17430
O2 O -0.05335 0.11895 0.34525
N1 N -0.05850 0.33670 0.34815
N2 N -0.17525 0.33190 0.37445
N3 N -0.29495 0.33505 0.40340
C1 C -0.28105 0.15115 0.17775
C2 C -0.40760 0.16265 0.09935
H1 H -0.38310 0.18585 0.03590
H2 H -0.47705 0.21215 0.13125
H3 H -0.46465 0.10545 0.08960
C3 C -0.27165 0.06845 0.24930
H4 H -0.33135 0.02670 0.24465
C4 C -0.16330 0.05505 0.32970
C5 C -0.16505 -0.03405 0.40750
H5 H -0.07350 -0.07155 0.41070
H6 H -0.24365 -0.08310 0.39030
H7 H -0.18195 -0.00105 0.48125
