#------------------------------------------------------------------------------ #$Date: 2012-02-03 17:16:24 +0000 (Fri, 03 Feb 2012) $ #$Revision: 32112 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/20/2002059.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2002059 loop_ _publ_author_name 'Viossat, B.' 'Dung, Nguyen-Huy' 'Robert, F.' _publ_section_title ; Structure du trans-dichlorobis(pyridine)palladium(II) ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 84 _journal_page_last 85 _journal_volume 49 _journal_year 1993 _chemical_formula_sum 'C10 H10 Cl2 N2 Pd' _chemical_formula_weight 335.51 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 90.560(10) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.7740(10) _cell_length_b 15.474(2) _cell_length_c 8.6350(10) _cell_volume 1172.3(2) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.7107 _exptl_absorpt_coefficient_mu 1.991 _exptl_crystal_density_diffrn 1.90 _exptl_crystal_density_meas 1.87(3) _exptl_crystal_F_000 656 _[local]_cod_data_source_file du1002.cif _[local]_cod_data_source_block du1002_structure_1_of_1 _[local]_cod_chemical_formula_sum_orig 'C10 H10 Cl2 N2 Pd1' _cod_original_cell_volume 1172.3(3) _cod_database_code 2002059 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pd .0 .12684(4) .2500 .0383 Cl .26140(10) .1290(2) .2668(2) .0569 N(1) .0 -.0040(4) .2500 .0417 N(2) .0 .2575(4) .2500 .0455 C(1) .0942(6) -.0489(4) .1559(6) .0456 C(2) .0969(6) -.1379(4) .1547(6) .0501 C(3) .0 -.1813(5) .2500 .0485 C(4) .0565(7) .3011(4) .1299(6) .0492 C(5) .0570(7) .3908(4) .1278(7) .0570 C(6) .0 .4352(6) .2500 .0581 H(1) .165(6) -.011(4) .101(7) ? H(2) .161(6) -.159(4) .065(7) ? H(3) .0000 -.236(6) .2500 ? H(4) .105(7) .268(4) .049(7) ? H(5) .101(6) .414(4) .033(7) ? H(6) .0000 .502(6) .2500 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C(1) H(1) 0.98(6) C(3) H(3) 0.85(9) C(5) H(5) 0.98(6) Pd Cl 2.2970(10) Pd N(2) 2.023(6) N(2) C(4) 1.336(6) C(2) C(3) 1.366(7) C(5) C(6) 1.359(8) C(2) H(2) 1.01(6) C(4) H(4) 0.97(6) C(6) H(6) 1.03(9) Pd N(1) 2.024(6) N(1) C(1) 1.356(6) C(1) C(2) 1.377(8) C(4) C(5) 1.388(8) loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle N(2) Pd(1) Cl 89.17(7) C(3) C(2) C(1) 118.4(6) C(5) C(4) N(2) 121.1(6) N(1) Pd Cl 90.83(7) C(1) N(1) Pd(1) 120.8(3) C(4) N(2) Pd(1) 120.3(3) C(2) C(1) N(1) 121.9(6) C(6) C(5) C(4) 119.6(6)