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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/25/9012506.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9012506
loop_
_publ_author_name
'Marsh, R. E.'
'Schomaker, V.'
_publ_section_title
;
 Some incorrect space groups in Inorganic Chemistry, Volume 16
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2331
_journal_page_last               2336
_journal_paper_doi               10.1021/ic50198a064
_journal_volume                  18
_journal_year                    1979
_chemical_formula_structural     ZnCl2N2C14
_chemical_formula_sum            'C14 Cl2 N2 Zn'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.77
_cell_angle_gamma                90
_cell_length_a                   9.115
_cell_length_b                   11.942
_cell_length_c                   14.428
_cell_formula_units_Z            4
_cell_volume                     1570.365
_database_code_amcsd             0012687
_exptl_crystal_density_diffrn    1.406
_cod_original_formula_sum        'Zn N2 C14 Cl2'
_cod_database_code               9012506
_amcsd_formula_title             ZnCl2N2C14
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Zn 0.00000 -0.00562 0.25000 0
N12 0.00400 -0.11370 0.14030 0
C2a2b 0.09160 -0.09640 0.06780 1
C3a3b 0.09180 -0.16550 -0.00660 1
C4a4b 0.00280 -0.25760 -0.00980 0
C5a5b -0.08620 -0.27570 0.06540 1
C6a6b -0.08340 -0.20350 0.13740 1
C7a7b 0.01380 -0.32820 -0.09470 1
C8a8b -0.04870 -0.41590 -0.10100 2
Cl12 0.20840 0.08860 0.24820 0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012687
