#------------------------------------------------------------------------------ #$Date: 2015-10-10 08:07:17 +0300 (Sat, 10 Oct 2015) $ #$Revision: 165098 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/42/4344285.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_4344285 loop_ _publ_author_name 'Zhou, M.' 'van Engen, D.' 'Steiger, J.' 'Pfennig, B.W.' 'Bocarsly, A.B.' _publ_section_title ; Multielectron Transfer and Single-Crystal X-ray Structure of a Trinuclear Cyanide-Bridged Platinum-Iron Species ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 2456 _journal_page_last 2460 _journal_volume 29 _journal_year 1990 _chemical_formula_sum 'C12 H54 Fe2 N24 O9 Pt3' _chemical_name_systematic ; (Pt (N H3)4)2 (Fe (C N)5)2 (Pt (N H3)4) (C N)2 (H2 O)9 ; _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 100.52 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 15.313 _cell_length_b 8.5353 _cell_length_c 16.206 _cell_volume 2082.538 _citation_journal_id_ASTM INOCAJ _cod_data_source_file Zhou_INOCAJ_1990_1638.cif _cod_data_source_block C12H54Fe2N24O9Pt3 _cod_database_code 4344285 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-y-1/2,z-1/2 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 C4 C-1 0.2867 0.0413 0.059 1 0.0 Pt2 Pt+4 0.5 0.5 0 1 0.0 O5 O-2 0.3415 0.4103 0.1868 0.83 0.0 C3 C-1 0.1743 0.2899 0.0351 1 0.0 C6 C-1 0.1722 0.2778 -0.1309 1 0.0 N4 N 0.3179 -0.032 0.1184 1 0.0 C1 C-1 0.3317 0.2892 -0.0216 1 0.0 Pt1 Pt+2 0.0991 0.7488 -0.3081 1 0.0 N5 N 0.3174 -0.0412 -0.1553 1 0.0 N12 N-3 0.0381 0.8061 -0.428 1 0.0 N7 N-3 0.422 0.6958 -0.0363 1 0.0 Fe1 Fe+2 0.2315 0.1573 -0.0357 1 0.0 O4 O-2 0.4949 0.2882 0.6849 0.83 0.0 N1 N 0.3921 0.3695 -0.0134 1 0.0 O2 O-2 0.4978 -0.101 0.1106 1 0.0 O1 O-2 0.2528 0.6591 0.0066 1 0.0 N11 N-3 0.1107 0.5222 -0.3458 1 0.0 N6 N 0.1349 0.3504 -0.1854 1 0.0 O3 O-2 0.3349 -0.0235 0.2907 0.83 0.0 N9 N-3 0.0852 0.9781 -0.2727 1 0.0 N2 N 0.0761 -0.0754 -0.0642 1 0.0 N3 N 0.1409 0.3724 0.0762 1 0.0 C2 C-1 0.1315 0.0126 -0.052 1 0.0 N10 N-3 0.1605 0.696 -0.187 1 0.0 N8 N-3 0.509 0.4499 -0.1233 1 0.0 C5 C-1 0.2859 0.0311 -0.1098 1 0.0