#------------------------------------------------------------------------------ #$Date: 2015-07-12 16:58:34 +0300 (Sun, 12 Jul 2015) $ #$Revision: 146624 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/56/1525605.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_1525605 loop_ _publ_author_name 'Baidina, I.A.' 'Vasil'ev, A.D.' 'Khranenko, S.P.' 'Gromilov, S.A.' 'Belyaev, A.V.' _publ_section_title ; Synthesis and crystal structure of trans-(Rb2 (Pd (N O2)2 Cl2)). Structure refinement of Na2 (Pd (N O2)4) ; _journal_name_full 'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)' _journal_page_first 145 _journal_page_last 150 _journal_volume 42 _journal_year 2001 _chemical_formula_sum 'Cl2 N2 O4 Pd Rb2' _chemical_name_systematic 'Rb2 (Pd (N O2)2 Cl2)' _space_group_IT_number 64 _symmetry_space_group_name_Hall '-C 2ac 2' _symmetry_space_group_name_H-M 'C m c a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 15.123 _cell_length_b 7.75 _cell_length_c 7.776 _cell_volume 911.372 _citation_journal_id_ASTM ZSTKAI _cod_data_source_file Baidina_ZSTKAI_2001_1743.cif _cod_data_source_block Cl2N2O4Pd1Rb2 _cod_original_cell_volume 911.3725 _cod_chemical_formula_sum_orig 'Cl2 N2 O4 Pd1 Rb2' _cod_database_code 1525605 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x,-y,-z -x+1/2,y,-z+1/2 -x,-y,-z x-1/2,y,-z-1/2 -x,y,z x-1/2,-y,z-1/2 x+1/2,y+1/2,z -x+1,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x,y+1/2,-z-1/2 -x+1/2,y+1/2,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 Cl1 Cl-1 0.5 0.7898 0.79 1 0.0 N1 N+3 0.3686 0 0 1 0.0 Rb1 Rb+1 0.3632 0.5 0 1 0.0 O1 O-2 0.3261 -0.097 0.088 1 0.0 Pd1 Pd+2 0.5 0 0 1 0.0