#------------------------------------------------------------------------------ #$Date: 2015-09-17 22:45:31 +0300 (Thu, 17 Sep 2015) $ #$Revision: 156785 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/13/1531349.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_1531349 loop_ _publ_author_name 'Emel'yanov, V.A.' 'Gromilov, S.A.' 'Baidina, I.A.' 'Virovets, A.V.' 'Belyaev, A.V.' _publ_section_title ; Formation of a dimer with a double hydroxo bridge in nitric acid solutions of the nitrosotetranitrohydroxo complex of ruthenium(II). Crystal structure of K2 (Ru N O (N O2)3 (mue-(O H)))2 ; _journal_name_full 'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)' _journal_page_first 156 _journal_page_last 162 _journal_volume 43 _journal_year 2002 _chemical_formula_sum 'H2 K2 N8 O16 Ru2' _chemical_name_systematic 'K2 (Ru (N O) (N O2)3 (O H))2' _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 104.42 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.596 _cell_length_b 10.111 _cell_length_c 9.537 _cell_volume 802.787 _citation_journal_id_ASTM ZSTKAI _cod_data_source_file Emelyanov_ZSTKAI_2002_1775.cif _cod_data_source_block H2K2N8O16Ru2 _cod_original_cell_volume 802.7868 _cod_database_code 1531349 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 O5 O-2 0.6591 0.1231 0.0542 1 0.0 O2 O-2 0.6664 0.6863 -0.0646 1 0.0 Ru1 Ru+2 0.8314 0.9314 -0.0784 1 0.0 O8 O-2 0.6588 0.1075 0.7099 1 0.0 N4 N+3 0.6549 0.9923 0.7505 1 0.0 O3 O-2 0.0166 0.7405 0.8107 1 0.0 O6 O-2 0.7296 0.9553 0.1847 1 0.0 O7 O-2 0.5537 0.9159 0.6844 1 0.0 O4 O-2 0.9503 0.902 0.6619 1 0.0 N1 N+3 0.7312 0.7826 -0.0681 1 0.0 K1 K+1 0.7518 0.1607 0.4203 1 0.0 O1 O-2 0.9552 0.0988 -0.0728 1 0.0 N3 N+3 0.7239 0.017 0.0726 1 0.0 N2 N+3 0.9488 0.8486 0.7769 1 0.0