#------------------------------------------------------------------------------ #$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $ #$Revision: 481 $ #$URL: svn://www.crystallography.net/cod/cif/2/2010376.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_2010376 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1995 _journal_volume 51 _journal_page_first 40 _journal_page_last 42 _publ_section_title ; trans-Dichlorotetrakis(pyridine)ruthenium(II) ; loop_ _publ_author_name 'Elsegood, M.R.J.' 'Tocher, D.A.' _chemical_formula_sum 'C20 H20 Cl2 N4 Ru1' _chemical_formula_weight 488.4 _symmetry_cell_setting tetragonal _symmetry_space_group_name_H-M 'I 41/a c d' _symmetry_space_group_name_Hall 'I -4 2aw -bw' _cell_length_a 15.664(2) _cell_length_b 15.664(2) _cell_length_c 16.970(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 4164.0(10) _cell_formula_units_Z 8 _cell_measurement_temperature 293 _exptl_crystal_density_diffrn 1.56 _refine_ls_R_factor_obs 0.0453 _refine_ls_wR_factor_obs 0.0320 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ru(1) .0 .2500 .1250 0.0290(10) Cl(1) .10860(10) .14140(10) .1250 0.0450(10) N(1) .0668(2) .3155(2) .0386(2) 0.0340(10) C(1) .1042(3) .2752(3) -.0221(3) 0.043(2) C(2) .1487(3) .3173(3) -.0798(3) 0.055(2) C(3) .1566(4) .4040(4) -.0771(3) 0.059(2) C(4) .1188(3) .4466(3) -.0154(3) 0.0500(10) C(5) .0749(3) .4016(3) .0402(3) 0.0400(10) H(1) .099(3) .214(3) -.024(2) 0.051(12) H(2) .174(3) .285(3) -.123(3) 0.060(13) H(3) .180(3) .432(3) -.114(3) 0.079(15) H(4) .122(3) .508(3) -.013(3) 0.073(16) H(5) .049(2) .428(3) .077(2) 0.037(12) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag Ru(1) Cl(1) 2.4060(10) yes N(1) C(1) 1.341(5) yes C(1) C(2) 1.371(6) yes C(2) C(3) 1.365(7) yes C(3) C(4) 1.375(7) yes C(4) C(5) 1.365(6) yes C(5) H(5) 0.85(4) yes Ru(1) N(1) 2.073(3) yes N(1) C(5) 1.355(5) yes C(1) H(1) 0.97(4) yes C(2) H(2) 0.97(4) yes C(3) H(3) 0.84(5) yes C(4) H(4) 0.96(5) yes