#------------------------------------------------------------------------------ #$Date: 2015-07-12 19:38:33 +0300 (Sun, 12 Jul 2015) $ #$Revision: 147537 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/37/4343714.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_4343714 loop_ _publ_author_name 'Robinson, W.R.' 'Schussler, D.P.' _publ_section_title ; Crystal and Molecular Structure of Tris(tetracarbonylcobalt)indium(III), In (Co (C O)4)3 ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 848 _journal_page_last 854 _journal_volume 12 _journal_year 1973 _chemical_formula_sum 'C12 Co3 In O12' _chemical_name_systematic 'In (Co (C O)4)3' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 113.91 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 18.834 _cell_length_b 6.806 _cell_length_c 16.606 _cell_volume 1945.955 _citation_journal_id_ASTM INOCAJ _cod_data_source_file Robinson_INOCAJ_1973_903.cif _cod_data_source_block C12Co3In1O12 _cod_cif_authors_sg_Hall '-P 2ybc (x-z,y,z)' _cod_chemical_formula_sum_orig 'C12 Co3 In1 O12' _cod_database_code 4343714 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z+1/2 -x,-y,-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 O10 O-2 0.2755 0.1366 0.4269 1 0.0 O9 O-2 0.5034 0.7105 0.5712 1 0.0 In1 In+3 0.28275 0.64253 0.51306 1 0.0 O6 O-2 0.189 0.9358 0.6132 1 0.0 O5 O-2 0.134 0.2574 0.4542 1 0.0 O12 O-2 0.4172 0.9088 0.2932 1 0.0 Co3 Co-1 0.3544 0.77669 0.42042 1 0.0 Co2 Co-1 0.13385 0.69158 0.45698 1 0.0 C1 C+2 0.3979 0.3467 0.6059 1 0.0 O4 O-2 0.4558 0.3182 0.8354 1 0.0 C4 C+2 0.4168 0.3911 0.7691 1 0.0 C7 C+2 0.1272 0.8019 0.3608 1 0.0 O1 O-2 0.4307 0.2449 0.5778 1 0.0 O11 O-2 0.2703 0.466 0.3061 1 0.0 C3 C+2 0.269 0.4426 0.6714 1 0.0 C8 C+2 0.0316 0.7048 0.4387 1 0.0 O7 O-2 0.1192 0.8772 0.2929 1 0.0 C5 C+2 0.1336 0.4303 0.4585 1 0.0 O2 O-2 0.4126 0.8955 0.7077 1 0.0 C2 C+2 0.3867 0.7315 0.6868 1 0.0 C10 C+2 0.3108 0.9896 0.4264 1 0.0 C9 C+2 0.4448 0.737 0.5103 1 0.0 C6 C+2 0.1713 0.8386 0.5507 1 0.0 C11 C+2 0.3044 0.594 0.3585 1 0.0 O8 O-2 -0.0304 0.7188 0.4283 1 0.0 Co1 Co-1 0.35947 0.49613 0.66878 1 0.0 O3 O-2 0.2111 0.4091 0.679 1 0.0 C12 C+2 0.3942 0.8652 0.3439 1 0.0