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#$Date: 2015-09-05 11:19:22 +0300 (Sat, 05 Sep 2015) $
#$Revision: 154363 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/44/4124419.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_4124419
loop_
_publ_author_name
'Che, C.M.'
'Mak, T.C.W.'
'Lee, W.M.'
'Gray, H.B.'
_publ_section_title
;
 Axial-ligand and metal-metal trans influences in binuclear platinum(III)
 complexes. Crystal structures and spectroscopic properties of K4 Pt2 (P2
 O5 H2)4 (S C N)2 (H2 O)2 etc.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4446
_journal_page_last               4451
_journal_volume                  108
_journal_year                    1986
_chemical_formula_sum            'C2 H12 K4 N2 O22 P8 Pt2 S2'
_chemical_name_systematic        'K4 Pt2 (P2 O5 H2)4 (S C N)2 (H2 O)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                117.19
_cell_angle_beta                 110.88
_cell_angle_gamma                94.18
_cell_formula_units_Z            1
_cell_length_a                   9.509
_cell_length_b                   9.494
_cell_length_c                   9.957
_cell_volume                     716.375
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Che_JACSAT_1986_1337.cif
_cod_data_source_block           C2H12K4N2O22P8Pt2S2
_cod_original_cell_volume        716.3747
_cod_database_code               4124419
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
O10 O-2 0.0162 -0.4517 -0.2534 1 0.0
O6 O-2 0.0491 -0.288 0.04 1 0.0
O5 O-2 0.1895 -0.0317 -0.2991 1 0.0
O11 O-2 0.3003 0.4492 -0.05 1 0.0
P1 P+3 0.3234 0.1242 0.1846 1 0.0
O1 O-2 0.3125 0.0682 -0.0002 1 0.0
K1 K+1 0.7109 0.2737 0.5029 1 0.0
O7 O-2 -0.0226 -0.1586 0.2826 1 0.0
K2 K+1 0.5193 0.2595 -0.0439 1 0.0
O9 O-2 -0.2221 -0.4424 -0.2015 1 0.0
P2 P+3 0.1778 -0.086 -0.1768 1 0.0
C1 C+4 0.342 0.2819 0.5732 1 0.0
Pt1 Pt+3 0.06973 0.10203 0.17258 1 0.0
O2 O-2 0.4188 0.03 0.2467 1 0.0
S1 S-2 0.1725 0.3058 0.4754 1 0.0
O3 O-2 0.4261 0.3066 0.2848 1 0.0
P4 P+3 -0.0641 -0.3364 -0.148 1 0.0
O4 O-2 0.2321 -0.2388 -0.2123 1 0.0
N1 N-3 0.4644 0.2759 0.6527 1 0.0
P3 P+3 0.0832 -0.1226 0.2136 1 0.0
O8 O-2 0.2553 -0.1069 0.334 1 0.0
