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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/47/4124709.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4124709
loop_
_publ_author_name
'Hoskins, B.F.'
'Robson, R.'
_publ_section_title
;
 Design and construction of a class of scaffolding-like materials
 comprising infinite polymeric frameworks of 3Dlinked molecular rods. A
 reappraisal of the Zn (C N)2 & Cd (C N)2 structures & the synthesis &
 structure of the diamond-related framew
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1546
_journal_page_last               1554
_journal_volume                  112
_journal_year                    1990
_chemical_formula_sum            'C2 Cd N2'
_chemical_name_systematic        'Cd (C N)2'
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.301
_cell_length_b                   6.301
_cell_length_c                   6.301
_cell_volume                     250.166
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Hoskins_JACSAT_1990_1800.cif
_cod_data_source_block           C2Cd1N2
_cod_original_cell_volume        250.1661
_cod_original_formula_sum        'C2 Cd1 N2'
_cod_database_code               4124709
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
x,-z,-y
-z,-x,y
-x,z,-y
z,-x,-y
-x,-z,y
-z,x,-y
x,z,y
y,z,x
y,-z,-x
-z,-y,x
-y,z,-x
z,y,x
-y,-z,x
-z,y,-x
z,-y,-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cd2 Cd+2 0.5 0.5 0.5 1 0.0
C1 C+2 0.1923 0.1923 0.1923 1 0.0
Cd1 Cd+2 0 0 0 1 0.0
N1 N-3 0.2988 0.2988 0.2988 1 0.0
