#------------------------------------------------------------------------------ #$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/2/2003499.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_2003499 _journal_name_full 'Acta Crystallographica C' _journal_volume 51 _journal_year 1995 _journal_page_first 878 _journal_page_last 880 _publ_section_title ; Chlorure de cis-Chloro(dim\'ethylsulfoxyde)(metformine)platine(II) ; _chemical_formula_sum 'C6 H17 Cl2 N5 O Pt S' _chemical_formula_weight 473.30 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 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' '1/2+x,1/2+y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2-y,-z' '1/2-x,1/2+y,1/2-z' _cell_length_a 18.169(3) _cell_length_b 10.932(3) _cell_length_c 16.120(3) _cell_angle_alpha 90 _cell_angle_beta 117.17(2) _cell_angle_gamma 90 _cell_volume 2842(8) _cell_formula_units_Z 8 _exptl_crystal_density_diffrn 2.21 _exptl_crystal_density_meas 2.20 _diffrn_radiation_type 'MoK\a' _diffrn_radiation_wavelength 0.7107 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 8.79 _cell_measurement_theta_max 13.38 _exptl_absorpt_coefficient_mu 10.47 _cell_measurement_temperature 293 _exptl_crystal_description "parall\'el\'epip\`ede" _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.10 _exptl_crystal_size_rad ? _exptl_crystal_colour 'jaune p\^ale' _chemical_compound_source "\'evaporation d'une solution m\'ethanolique" _diffrn_measurement_device 'Enraf-Nonius CAD-4' _diffrn_measurement_method '\w-2\q' _exptl_absorpt_correction_type 'empirical' _exptl_absorpt_correction_T_min 0.668 _exptl_absorpt_correction_T_max 1.330 _diffrn_reflns_number 2877 _reflns_number_total 2877 _reflns_number_observed 1816 _reflns_observed_criterion 'I >= 3\s(I)' _diffrn_reflns_av_R_equivalents ? _diffrn_reflns_theta_max 26 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 19 _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 120 _diffrn_standards_decay_% 'non significatives' _refine_ls_structure_factor_coef F _refine_ls_R_factor_obs 0.032 _refine_ls_wR_factor_obs 0.038 _refine_ls_goodness_of_fit_obs 1.20 _refine_ls_number_reflns 1816 _refine_ls_number_parameters 145 _refine_ls_hydrogen_treatment ? _refine_ls_weighting_scheme '1/\s^2^(F~o~)' _refine_ls_shift/esd_max 0.01 _refine_diff_density_max 0.9(2) _refine_diff_density_min -0.9(2) _refine_ls_extinction_method 'none' _refine_ls_extinction_coef ? _atom_type_scat_source 'IntTabIV' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_u_iso_or_equiv Pt 1.00855(2) .16633(4) .60610(2) .04113(8) Cl(1) 1.0719(2) .3542(2) .6232(2) .0573(8) Cl(2) .8116(1) .6548(3) .7144(2) .0563(6) S .8829(1) .2463(2) .5514(2) .0490(6) O .8181(4) .1531(7) .5176(6) .071(3) N(1) 1.2132(5) -.0715(8) .7385(6) .052(3) N(2) 1.1188(4) .0829(7) .6607(5) .044(2) N(3) 1.0743(4) -.1175(7) .6754(5) .044(2) N(4) .9554(4) .0048(8) .5890(5) .052(2) N(5) .9428(4) -.2033(7) .6069(5) .049(2) C(1) 1.1349(5) -.0284(9) .6900(6) .045(3) C(2) .9899(5) -.1012(9) .6212(6) .046(3) C(3) .8749(6) .331(1) .6409(6) .072(3) C(4) .8594(6) .361(1) .4635(7) .065(3) C(51) .8529(6) -.192(1) .5493(8) .058(4) C(52) .9746(6) -.329(1) .6245(7) .056(3) _cod_database_code 2003499