data_2003584 _journal_name_full 'Acta Crystallographica' _journal_year 1995 _journal_volume C51 _journal_page_first 1105 _journal_page_last 1106 _publ_section_title ; trans-Chloromethylbis(triphenylarsine)platinum(II) ; _chemical_formula_moiety '[Pt{As(C6 H5)3}2 (CH3) Cl]' _chemical_formula_sum 'C37 H33 As2 Cl Pt' _chemical_formula_weight 858.01 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _symmetry_space_group_name_H-M 'P21/n' _cell_length_a 11.749(1) _cell_length_b 23.342(2) _cell_length_c 12.644(2) _cell_angle_alpha 90.00 _cell_angle_beta 111.32(1) _cell_angle_gamma 90.00 _cell_volume 3230.3(6) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.764 _exptl_crystal_density_meas 1.744 _exptl_crystal_density_method 'flotation in NaI/H~2~O' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 17 _cell_measurement_theta_max 20 _exptl_absorpt_coefficient_mu 6.484 _cell_measurement_temperature 293(2) _exptl_crystal_description Diamonds _exptl_crystal_size_max 0.29 _exptl_crystal_size_mid 0.28 _exptl_crystal_size_min 0.27 _exptl_crystal_colour Colourless _chemical_compound_source ? _diffrn_measurement_device 'Enraf Nonius CAD4' _diffrn_measurement_method \q/2\q _exptl_absorpt_correction_type ; empirical (Akselrud, Grin, Zavalii, Pecharsky & Fundamuntsky, 1989) ; _exptl_absorpt_correction_T_min 0.397 _exptl_absorpt_correction_T_max 0.577 _diffrn_reflns_number 2833 _reflns_number_total 2833 _reflns_number_observed 2653 _reflns_observed_criterion I>2sigma(I) _diffrn_reflns_av_R_equivalents ? _diffrn_reflns_theta_max 24.94 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 15 _diffrn_standards_number 3 _diffrn_standards_interval_count 100 _diffrn_standards_interval_time ? _diffrn_standards_decay_% <1 _refine_ls_structure_factor_coef Fsqd _refine_ls_R_factor_obs 0.0275 _refine_ls_wR_factor_obs 0.0696 _refine_ls_wR_factor_all 0.0696 _refine_ls_goodness_of_fit_obs 1.066 _refine_ls_goodness_of_fit_all 1.066 _refine_ls_number_reflns 2653 _refine_ls_number_parameters 373 _refine_ls_hydrogen_treatment ? _refine_ls_weighting_scheme ; calc w = 1/[\s^2^(F~o~^2^) + (0.0616P)^2^] where P = [max(0,F~o~^2^) + 2F~c~^2^]/3 ; _refine_ls_shift/esd_max 0.118 _refine_diff_density_max 1.69 _refine_diff_density_min -1.41 _refine_ls_extinction_method none _refine_ls_extinction_coef ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_source _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag 'C' 'C' 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 0.0033 0.001 'H' 'H' 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 0.0000 0.000 'Cl' 'Cl' 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 0.1484 0.1 'As' 'As' 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 0.0499 2.0 'Pt' 'Pt' 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' -1.7033 8. loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pt 1 0.17280(3) 0.346516(13) 0.49556(2) 0.03648(13) As1 1 0.16095(8) 0.37062(3) 0.30849(6) 0.0364(2) As2 1 0.17871(8) 0.32829(3) 0.68258(6) 0.0384(2) Cl1 1 0.1978(2) 0.44693(9) 0.5426(2) 0.0492(6) C1 1 0.1610(8) 0.2595(3) 0.4603(6) 0.041(2) H1 1 0.1924(43) 0.2519(4) 0.4014(30) 0.062(5) H2 1 0.0772(9) 0.2476(5) 0.4357(41) 0.062(5) H3 1 0.2081(38) 0.2387(4) 0.5275(13) 0.062(5) C11 1 0.1486(8) 0.3098(3) 0.2012(6) 0.033(2) C12 1 0.0408(9) 0.2809(4) 0.1531(8) 0.059(3) H12 1 -0.0259(9) 0.2909(4) 0.1722(8) 0.062(5) C13 1 0.0296(11) 0.2367(4) 0.0755(8) 0.066(3) H13 1 -0.0440(11) 0.2172(4) 0.0438(8) 0.062(5) C14 1 0.1262(12) 0.2221(4) 0.0463(8) 0.067(3) H14 1 0.1183(12) 0.1933(4) -0.0066(8) 0.062(5) C15 1 0.2344(11) 0.2498(5) 0.0948(9) 0.073(3) H15 1 0.3012(11) 0.2392(5) 0.0763(9) 0.062(5) C16 1 0.2458(10) 0.2940(4) 0.1720(8) 0.057(3) H16 1 0.3200(10) 0.3130(4) 0.2041(8) 0.062(5) C21 1 0.0217(8) 0.4174(3) 0.2196(6) 0.042(2) C22 1 -0.0143(9) 0.4198(4) 0.1036(7) 0.055(3) H22 1 0.0267(9) 0.3984(4) 0.0666(7) 0.062(5) C23 1 -0.1118(10) 0.4543(5) 0.0416(8) 0.072(3) H23 1 -0.1355(10) 0.4568(5) -0.0369(8) 0.062(5) C24 1 -0.1728(9) 0.4847(4) 0.0969(9) 0.068(3) H24 1 -0.2393(9) 0.5072(4) 0.0552(9) 0.062(5) C25 1 -0.1386(9) 0.4827(4) 0.2097(8) 0.055(3) H25 1 -0.1804(9) 0.5040(4) 0.2462(8) 0.062(5) C26 1 -0.0402(8) 0.4486(4) 0.2725(7) 0.045(2) H26 1 -0.0164(8) 0.4471(4) 0.3511(7) 0.062(5) C31 1 0.3000(7) 0.4145(3) 0.3119(6) 0.037(2) C32 1 0.2986(9) 0.4494(4) 0.2223(8) 0.059(3) H32 1 0.2290(9) 0.4510(4) 0.1567(8) 0.062(5) C33 1 0.3984(12) 0.4812(4) 0.2298(11) 0.077(3) H33 1 0.3954(12) 0.5044(4) 0.1690(11) 0.062(5) C34 1 0.5012(11) 0.4799(4) 0.3229(11) 0.069(3) H34 1 0.5680(11) 0.5025(4) 0.3270(11) 0.062(5) C35 1 0.5058(9) 0.4452(5) 0.4108(9) 0.066(3) H35 1 0.5772(9) 0.4434(5) 0.4747(9) 0.062(5) C36 1 0.4063(8) 0.4127(4) 0.4066(7) 0.052(2) H36 1 0.4108(8) 0.3895(4) 0.4678(7) 0.062(5) C41 1 0.1975(8) 0.2503(3) 0.7400(6) 0.037(2) C42 1 0.3084(9) 0.2305(4) 0.8125(8) 0.053(2) H42 1 0.3757(9) 0.2548(4) 0.8342(8) 0.062(5) C43 1 0.3217(10) 0.1757(4) 0.8535(9) 0.065(3) H43 1 0.3981(10) 0.1632(4) 0.9017(9) 0.062(5) C44 1 0.2251(10) 0.1393(4) 0.8248(8) 0.058(3) H44 1 0.2345(10) 0.1021(4) 0.8533(8) 0.062(5) C45 1 0.1131(10) 0.1584(4) 0.7527(8) 0.058(3) H45 1 0.0463(10) 0.1338(4) 0.7324(8) 0.062(5) C46 1 0.0977(9) 0.2135(4) 0.7097(7) 0.053(2) H46 1 0.0214(9) 0.2259(4) 0.6610(7) 0.062(5) C51 1 0.0351(8) 0.3550(3) 0.7087(6) 0.043(2) C52 1 0.0011(10) 0.3329(4) 0.7952(7) 0.056(3) H52 1 0.0481(10) 0.3045(4) 0.8429(7) 0.062(5) C53 1 -0.1018(12) 0.3530(5) 0.8098(9) 0.072(3) H53 1 -0.1255(12) 0.3373(5) 0.8662(9) 0.062(5) C54 1 -0.1699(10) 0.3957(5) 0.7425(9) 0.068(3) H54 1 -0.2388(10) 0.4094(5) 0.7540(9) 0.062(5) C55 1 -0.1368(9) 0.4180(4) 0.6587(8) 0.059(3) H55 1 -0.1840(9) 0.4468(4) 0.6123(8) 0.062(5) C56 1 -0.0339(9) 0.3986(4) 0.6416(7) 0.047(2) H56 1 -0.0110(9) 0.4148(4) 0.5851(7) 0.062(5) C61 1 0.3182(9) 0.3631(3) 0.7984(7) 0.045(2) C62 1 0.4254(11) 0.3660(4) 0.7780(8) 0.061(3) H62 1 0.4269(11) 0.3569(4) 0.7069(8) 0.062(5) C63 1 0.5322(10) 0.3830(4) 0.8666(10) 0.075(3) H63 1 0.6064(10) 0.3838(4) 0.8559(10) 0.062(5) C64 1 0.5264(12) 0.3984(5) 0.9691(9) 0.080(4) H64 1 0.5975(12) 0.4093(5) 1.0280(9) 0.062(5) C65 1 0.4203(8) 0.3980(3) 0.9860(6) 0.082(4) H65 1 0.4171(8) 0.4104(3) 1.0548(6) 0.062(5) C66 1 0.3159(8) 0.3792(3) 0.9005(6) 0.065(3) H66 1 0.2428(8) 0.3776(3) 0.9132(6) 0.062(5) loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_22 _atom_site_aniso_U_23 _atom_site_aniso_U_33 Pt 0.0435(2) -0.0023(2) 0.00889(12) 0.0376(2) 0.00107(13) 0.0253(2) As1 0.0437(6) -0.0018(4) 0.0091(4) 0.0382(4) 0.0006(3) 0.0245(4) As2 0.0465(6) -0.0012(4) 0.0092(4) 0.0396(5) 0.0029(3) 0.0259(4) Cl1 0.064(2) -0.0092(10) 0.0155(10) 0.0442(12) -0.0039(9) 0.0369(11) C1 0.036(6) -0.003(4) 0.011(4) 0.052(5) -0.002(4) 0.035(4) C11 0.032(6) -0.005(4) 0.007(4) 0.037(5) 0.001(3) 0.027(4) C12 0.060(8) -0.009(5) 0.027(5) 0.065(6) -0.013(5) 0.055(6) C13 0.083(9) -0.025(6) 0.014(6) 0.058(7) -0.013(5) 0.049(6) C14 0.095(10) 0.001(6) 0.022(6) 0.066(7) -0.016(5) 0.038(5) C15 0.065(8) 0.007(6) 0.031(6) 0.090(8) -0.029(6) 0.070(7) C16 0.054(7) -0.006(5) 0.015(5) 0.058(6) -0.016(5) 0.056(6) C21 0.045(6) -0.002(4) 0.005(4) 0.043(5) 0.001(3) 0.031(4) C22 0.062(7) 0.012(5) 0.017(5) 0.068(6) 0.000(4) 0.035(5) C23 0.073(8) 0.015(6) -0.007(5) 0.083(8) 0.007(5) 0.037(5) C24 0.052(8) 0.022(5) -0.003(6) 0.060(6) 0.001(5) 0.071(7) C25 0.050(7) 0.015(5) 0.009(5) 0.057(6) -0.008(4) 0.049(6) C26 0.044(6) -0.007(4) 0.011(4) 0.051(5) -0.004(4) 0.036(4) C31 0.035(5) -0.002(4) 0.008(4) 0.042(5) -0.001(3) 0.030(4) C32 0.055(7) -0.016(5) 0.015(5) 0.060(6) 0.012(5) 0.058(6) C33 0.088(10) -0.010(6) 0.031(7) 0.056(7) 0.018(6) 0.086(8) C34 0.073(9) -0.023(5) 0.051(8) 0.050(6) -0.021(6) 0.099(9) C35 0.038(7) -0.012(6) 0.013(5) 0.081(8) -0.034(6) 0.073(7) C36 0.043(7) 0.003(5) 0.007(5) 0.067(6) 0.000(4) 0.038(5) C41 0.042(6) -0.005(4) 0.010(4) 0.040(4) 0.000(3) 0.026(4) C42 0.049(7) 0.002(4) 0.019(5) 0.051(6) 0.005(4) 0.058(6) C43 0.058(8) 0.018(5) 0.017(6) 0.054(6) 0.026(5) 0.077(7) C44 0.068(8) 0.005(5) 0.027(6) 0.038(5) 0.011(4) 0.068(7) C45 0.064(8) -0.022(5) 0.021(5) 0.047(5) -0.001(5) 0.062(6) C46 0.061(7) -0.011(5) 0.006(4) 0.049(6) 0.001(4) 0.039(5) C51 0.046(6) -0.004(4) 0.012(4) 0.048(5) -0.006(4) 0.032(4) C52 0.066(8) 0.000(5) 0.025(5) 0.065(6) 0.006(4) 0.041(5) C53 0.091(10) -0.005(7) 0.052(7) 0.081(8) -0.005(6) 0.065(7) C54 0.050(8) 0.007(6) 0.030(6) 0.095(8) -0.014(6) 0.068(7) C55 0.044(7) 0.013(5) 0.014(5) 0.072(7) 0.003(5) 0.058(6) C56 0.042(7) -0.002(4) 0.012(4) 0.048(5) 0.004(4) 0.047(5) C61 0.053(7) 0.002(4) 0.004(4) 0.040(5) 0.006(3) 0.033(5) C62 0.067(8) -0.010(5) 0.017(6) 0.064(6) 0.007(5) 0.049(6) C63 0.050(8) -0.012(5) 0.004(7) 0.070(8) 0.022(6) 0.087(9) C64 0.077(9) -0.010(6) -0.017(7) 0.072(7) 0.006(6) 0.058(7) C65 0.079(10) 0.000(7) -0.003(6) 0.108(9) -0.015(6) 0.039(6) C66 0.074(8) 0.011(5) 0.012(6) 0.069(7) -0.008(5) 0.044(6)