#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/56/1525606.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_1525606 loop_ _publ_author_name 'Baidina, I.A.' 'Gromilov, S.A.' 'Khranenko, S.P.' 'Vasil'ev, A.D.' '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 'N4 Na2 O8 Pd' _chemical_name_systematic 'Na2 (Pd (N O2)4)' _space_group_IT_number 33 _symmetry_space_group_name_Hall 'P 2c -2n' _symmetry_space_group_name_H-M 'P n a 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 15.431 _cell_length_b 4.606 _cell_length_c 11.208 _cell_volume 796.611 _citation_journal_id_ASTM ZSTKAI _cod_data_source_file Baidina_ZSTKAI_2001_1744.cif _cod_data_source_block N4Na2O8Pd1 _cod_original_cell_volume 796.6107 _cod_original_formula_sum 'N4 Na2 O8 Pd1' _cod_database_code 1525606 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 -x+1/2,y+1/2,z+1/2 x+1/2,-y+1/2,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 N2 N+3 0.8526 0.7271 0.2128 1 0.0 O1 O-2 0.9434 0.4923 -0.0481 1 0.0 O6 O-2 0.7443 0.7522 -0.0774 1 0.0 O7 O-2 0.0613 0.0009 0.0786 1 0.0 O3 O-2 0.8127 0.5025 0.1978 1 0.0 O5 O-2 0.6909 -0.0017 0.0709 1 0.0 Na1 Na+1 0.9136 0.2847 0.4007 1 0.0 O2 O-2 0.8587 0.246 0.8369 1 0.0 Na2 Na+1 0.6659 0.2635 0.2478 1 0.0 O4 O-2 0.8834 0.7766 0.3144 1 0.0 N3 N+3 0.7557 -0.0906 0.0156 1 0.0 Pd1 Pd+2 0.8762 -0.0003 0.0742 1 0.0 N4 N+3 0.997 0.0827 0.1334 1 0.0 N1 N+3 0.8952 0.276 -0.0671 1 0.0 O8 O-2 0.0076 0.2264 0.2204 1 0.0