#------------------------------------------------------------------------------ #$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: svn://www.crystallography.net/cod/cif/2/2005475.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_2005475 _journal_name_full 'Acta Crystallographica C' _journal_volume 52 _journal_year 1996 _journal_page_first 2468 _journal_page_last 2470 _publ_section_title ; trans-Bis(methylamine-N)bis(1-methylcytosine-N^3^)platinum(II) Bis[tetrachlorothallate(III)] ; _chemical_formula_iupac '[Pt (C H5 N)2 (C5 H7 N3 O)2] [Tl Cl4]2' _chemical_formula_moiety 'C12 H24 Cl8 N8 O2 Pt Tl2' _chemical_formula_sum 'C12 H24 Cl8 N8 O2 Pt Tl2' _chemical_formula_analytical '[Pt (N H2 Me)2(1-MeCyt)2](TlCl4)2' _chemical_formula_weight 1199.83 _symmetry_cell_setting monoclinic _cell_length_a 7.4346(10) _cell_length_b 15.8698(10) _cell_length_c 12.5590(10) _cell_angle_alpha 90. _cell_angle_beta 96.91(1) _cell_angle_gamma 90. _cell_volume 1471.0(3) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 2.709 _cell_measurement_temperature 293 _symmetry_space_group_name_H-M 'P 1 21/n 1' _[local]_cod_cif_authors_sg_H-M 'P 21/n' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pt 0.5 0.5 0.5 0.0194(1) O2 0.2100(7) 0.6318(4) 0.5232(5) 0.036(2) N1 0.3688(9) 0.7515(4) 0.5673(5) 0.025(2) N3 0.5154(8) 0.6258(4) 0.5253(5) 0.023(2) N4 0.8214(9) 0.6231(5) 0.5148(6) 0.033(2) C1 0.2003(12) 0.7951(6) 0.5821(9) 0.043(3) C2 0.3577(9) 0.6677(5) 0.5376(6) 0.023(2) C4 0.6758(9) 0.6674(5) 0.5347(6) 0.024(2) C5 0.6859(10) 0.7527(5) 0.5661(7) 0.029(3) C6 0.5314(11) 0.7912(5) 0.5801(7) 0.029(3) N5 0.3872(11) 0.5143(5) 0.3442(6) 0.041(2) C51 0.4279(17) 0.5913(8) 0.2839(8) 0.059(4) Tl 0.34667(5) 0.07767(2) 0.65821(3) 0.0360(1) Cl1 0.4253(4) -0.0383(2) 0.7828(2) 0.0526(8) Cl2 0.0746(4) 0.1488(2) 0.6981(2) 0.0614(9) Cl3 0.5984(4) 0.1722(2) 0.6909(2) 0.0537(8) Cl4 0.2598(4) 0.0161(2) 0.4849(2) 0.0511(8) H1 0.22328 0.85263 0.60087 0.0448 H2 0.11940 0.79424 0.51544 0.0448 H3 0.14124 0.76851 0.63547 0.0448 H4 0.25593 0.51339 0.34256 0.0424 H5 0.42003 0.46772 0.30298 0.0424 H6 0.36573 0.59111 0.21238 0.0624 H7 0.39039 0.64084 0.31949 0.0624 H8 0.55449 0.59517 0.27991 0.0624 H9 0.53524 0.85015 0.60048 0.0308 H10 0.79958 0.78157 0.57826 0.0288 H11 0.92710 0.65792 0.52516 0.0374 H12 0.83951 0.57710 0.56558 0.0374