#------------------------------------------------------------------------------ #$Date: 2015-07-13 22:33:44 +0300 (Mon, 13 Jul 2015) $ #$Revision: 151007 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/85/1528576.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_1528576 loop_ _publ_author_name 'Hirva, P.' 'Haukka, M.' 'Jakonen, M.' 'Pakkanen, T.A.' _publ_section_title ; Growth of the metal framework in linear ruthenium and osmium carbonyls ; _journal_name_full 'Inorganica Chimica Acta' _journal_page_first 853 _journal_page_last 862 _journal_volume 359 _journal_year 2006 _chemical_formula_sum 'C4 Cl2 O4 Os' _chemical_name_systematic 'Os (C O)4 Cl2' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 96.452 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.6329 _cell_length_b 10.2397 _cell_length_c 11.7025 _cell_volume 789.787 _citation_journal_id_ASTM ICHAA3 _cod_data_source_file Hirva_ICHAA3_2006_766.cif _cod_data_source_block C4Cl2O4Os1 _cod_original_cell_volume 789.7869 _cod_chemical_formula_sum_orig 'C4 Cl2 O4 Os1' _cod_database_code 1528576 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,-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 Os1 Os+2 0 0.432035 0.25 1 0.0 Cl1 Cl-1 0.12865 0.60194 0.13356 1 0.0 C2 C+2 0.0934 0.3012 0.1511 1 0.0 O1 O-2 -0.4237 0.4352 0.1082 1 0.0 C1 C+2 -0.2698 0.4352 0.1563 1 0.0 O2 O-2 0.144 0.2217 0.0931 1 0.0