#------------------------------------------------------------------------------ #$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2005596.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_2005596 _journal_name_full 'Acta Crystallographica C' _journal_volume 52 _journal_year 1996 _journal_page_first 2745 _journal_page_last 2747 _publ_section_title ; Dicyano(2,9-dimethyl-1,10-phenanthroline-N,N')(\h^2^-ethene)platinum(II) ; _chemical_formula_iupac '[Pt (C N)2 (C2 H4) (C14 H12 N2)]' _chemical_formula_moiety 'C18 H16 N4 Pt1' _chemical_formula_sum 'C18 H16 N4 Pt1' _chemical_formula_weight 483.45 _symmetry_cell_setting 'monoclinic' _space_group_IT_number 13 _symmetry_space_group_name_Hall '-P 2yc' _symmetry_space_group_name_H-M 'P 1 2/c 1' _[local]_cod_cif_authors_sg_H-M 'C 2/c' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,+y,1/2-z' '-x,-y,-z' 'x,-y,1/2+z' _cell_length_a 15.265(3) _cell_length_b 11.115(2) _cell_length_c 10.178(2) _cell_angle_alpha 90. _cell_angle_beta 109.70(1) _cell_angle_gamma 90. _cell_volume 1626(7) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.975 _exptl_crystal_density_meas 1.87 _cell_measurement_temperature 295 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pt1 0.500 0.16560(2) 0.750 0.0353(1) N1 0.4358(3) 0.3232(3) 0.6199(4) 0.037(1) N2 0.6587(4) 0.1591(3) 0.6188(5) 0.060(1) C1 0.3727(3) 0.3200(3) 0.4914(5) 0.041(1) C2 0.3361(3) 0.4300(4) 0.4214(5) 0.051(1) C3 0.3626(3) 0.5377(4) 0.4818(5) 0.052(1) C4 0.4315(3) 0.5440(4) 0.6169(4) 0.044(1) C5 0.4662(3) 0.4339(3) 0.6837(4) 0.037(1) C6 0.4668(4) 0.6519(3) 0.6855(6) 0.054(1) C7 0.3432(4) 0.2025(5) 0.4233(5) 0.052(1) C8 0.6009(3) 0.1619(3) 0.6648(5) 0.041(1) C9 0.4645(4) -0.0122(3) 0.6820(5) 0.051(1) HC2 0.2858 0.4265 0.3172 0.051 HC3 0.3318 0.6191 0.4280 0.052 H1C7 0.3048 0.1525 0.4800 0.052 H2C7 0.4048 0.1507 0.4247 0.052 H3C7 0.2979 0.2167 0.3147 0.052 HC6 0.4408 0.7365 0.6352 0.054 H1C9 0.4795 -0.0273 0.5840 0.051 H2C9 0.3955 -0.0283 0.6660 0.051