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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/4/34/36/4343642.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_4343642
loop_
_publ_author_name
'Brown, R.K.'
'Vidusek, D.A.'
'Williams, J.M.'
_publ_section_title
;
 ... Synthesis, crystal structure, and X-ray diffuse scattering studies of
 the new partially oxidized tetracyanoplatinate complex Cs2 (Pt (C N)4)
 (N3)0.25 * 0.5 H2 O
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              801
_journal_page_last               804
_journal_volume                  18
_journal_year                    1979
_chemical_formula_sum            'C4 Cs2 N4.555 Pt'
_chemical_name_systematic        'Cs2 Pt (C N)4 (N3)0.25 (H2 O)0.5'
_space_group_IT_number           117
_symmetry_space_group_name_Hall  'P -4 -2ab'
_symmetry_space_group_name_H-M   'P -4 b 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.089
_cell_length_b                   13.089
_cell_length_c                   5.754
_cell_volume                     985.786
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Brown_INOCAJ_1979_554.cif
_cod_data_source_block           C4Cs2N4.555Pt1
_cod_original_cell_volume        985.7863
_cod_original_formula_sum        'C4 Cs2 N4.555 Pt1'
_cod_database_code               4343642
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
-x+1/2,y+1/2,z
y+1/2,x+1/2,-z
x+1/2,-y+1/2,z
-y+1/2,-x+1/2,-z
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
C1 C+2 0.0516 0.1447 -0.014 1 0.0
C2 C+2 0.4423 0.3588 0.515 1 0.0
N3 N 0 0.5 0 0.37 0.0
N1 N+2 0.08 0.2276 -0.004 1 0.0
Cs1 Cs+1 0.8307 0.3307 0 1 0.0
Pt2 Pt+2 0 0 0.5 1 0.0
N2 N+2 0.4092 0.2773 0.506 1 0.0
N4 N 0 0.5 0.214 0.37 0.0
Cs2 Cs+1 0.6551 0.1551 0.5 1 0.0
Pt1 Pt+2 0 0 0 1 0.0
