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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/4/34/36/4343643.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_4343643
loop_
_publ_author_name
'Brown, R.K.'
'Williams, J.M.'
_publ_section_title
;
 ... A reduction in platinum-chain dimerization in rubidium
 tetracyanoplatinate chloride (2:1:0.3) trihydrate, Rb2 (Pt (C N)4) Cl0.3
 * 3.0(H2 O), at 110K as revealed by a neutron diffraction study
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1922
_journal_page_last               1925
_journal_volume                  18
_journal_year                    1979
_chemical_formula_sum            'C4 H6 Cl0.3 N4 O3 Pt Rb2'
_chemical_name_systematic        'Rb2 Pt (C N)4 Cl0.3 (H2 O)3'
_space_group_IT_number           99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.104
_cell_length_b                   10.104
_cell_length_c                   5.743
_cell_volume                     586.308
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Brown_INOCAJ_1979_566.cif
_cod_data_source_block           C4H6Cl0.3N4O3Pt1Rb2
_cod_original_cell_volume        586.3076
_cod_original_formula_sum        'C4 H6 Cl0.3 N4 O3 Pt1 Rb2'
_cod_database_code               4343643
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
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
Pt1 Pt+2 0 0 0 1 0.0
O2 O-2 0.3389 0.3389 0.0862 1 0.0
C1 C+2 0.1976 0 -0.0038 1 0.0
C2 C+2 0.1399 0.1399 0.5003 1 0.0
O1 O-2 0.5 0 0.3813 1 0.0
H2 H+1 0.2878 0.2878 0.1808 1 0.0
H1 H+1 0.4264 0 0.2772 1 0.0
Rb1 Rb+1 0.1978 0.5 0.7389 1 0.0
Pt2 Pt+2 0 0 0.498 1 0.0
Cl1 Cl-1 0.5 0.5 0.4833 0.6 0.0
H3 H+1 0.3861 0.3861 0.2034 1 0.0
N2 N-3 0.2209 0.2209 0.5062 1 0.0
N1 N-3 0.3121 0 -0.0095 1 0.0
