#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/85/1528577.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_1528577 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 136 _symmetry_space_group_name_Hall '-P 4n 2n' _symmetry_space_group_name_H-M 'P 42/m n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.8055 _cell_length_b 5.8055 _cell_length_c 11.626 _cell_volume 391.841 _citation_journal_id_ASTM ICHAA3 _cod_data_source_file Hirva_ICHAA3_2006_767.cif _cod_data_source_block C4Cl2O4Os1 _cod_original_cell_volume 391.8408 _cod_original_formula_sum 'C4 Cl2 O4 Os1' _cod_database_code 1528577 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x+1/2,z+1/2 -x,-y,z y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y,x,-z -x+1/2,y+1/2,-z+1/2 -y,-x,-z -x,-y,-z y-1/2,-x-1/2,-z-1/2 x,y,-z -y-1/2,x-1/2,-z-1/2 -x-1/2,y-1/2,z-1/2 -y,-x,z x-1/2,-y-1/2,z-1/2 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 Os1 Os+2 1 0 0 1 0.0 O1 O-2 0.7394 0.2606 0.19312 1 0.0 C1 C+2 0.8308 0.1692 0.1212 1 0.0 Cl1 Cl-1 0.7068 -0.2932 0 1 0.0