#------------------------------------------------------------------------------ #$Date: 2015-09-28 10:38:34 +0100 (Mon, 28 Sep 2015) $ #$Revision: 158451 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532522.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_1532522 loop_ _publ_author_name 'Kulik, A.V.' 'Nefedov, S.E.' 'Temkin, O.N.' 'Bruk, L.G.' 'Aleksandrov, G.G.' 'Eremenko, I.L.' _publ_section_title ; Crystal structure of the Pd(I) carbonyl chloride complex (N H4)2 (Pd2 Cl4 (C O)2) ; _journal_name_full 'Doklady Akad. Nauk' _journal_page_first 218 _journal_page_last 220 _journal_volume 383 _journal_year 2002 _chemical_formula_sum 'C2 H8 Cl4 N2 O2 Pd2' _chemical_name_systematic '(N H4)2 (Pd2 Cl4 (C O)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 96 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.03 _cell_length_b 8.983 _cell_length_c 14.553 _cell_volume 523.954 _citation_journal_id_ASTM DAKNEQ _cod_data_source_file Kulik_DAKNEQ_2002_329.cif _cod_data_source_block C2H8Cl4N2O2Pd2 _cod_original_cell_volume 523.9542 _cod_database_code 1532522 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 Cl2 Cl-1 0.5738 0.1566 0.3018 1 0.0 C1 C+2 0.009 0.9223 0.4106 1 0.0 O1 O-2 0.0093 0.8575 0.3443 1 0.0 N1 N-3 0.022 0.9815 0.1519 1 0.0 Pd1 Pd+1 0.7917 0.1018 0.4579 1 0.0 Cl1 Cl-1 0.5046 0.316 0.5079 1 0.0