#------------------------------------------------------------------------------ #$Date: 2011-01-03 12:48:23 +0000 (Mon, 03 Jan 2011) $ #$Revision: 5312 $ #$URL: svn://www.crystallography.net/cod/cif/4/4308225.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_4308225 loop_ _publ_author_name 'Richard D. Adams' 'Burjor Captain' 'Lei Zhu' _publ_section_title ; Addition of Pt(PBut3) to Osmium-Tin Cluster Complexes ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 4605 _journal_page_last 4611 _journal_volume 46 _journal_year 2007 _chemical_formula_sum 'C41 H54 Cl O16 Os4 P2 Pt2 Sn' _chemical_formula_weight 2169.90 _chemical_name_systematic ; ? ; _space_group_IT_number 34 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_Hall 'P 2 -2n' _symmetry_space_group_name_H-M 'P n n 2' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_formula_units_Z 2 _cell_length_a 12.0543(3) _cell_length_b 26.5750(6) _cell_length_c 8.9479(2) _cell_measurement_reflns_used 7431 _cell_measurement_temperature 294(2) _cell_measurement_theta_max 28.24 _cell_measurement_theta_min 2.28 _cell_volume 2866.40(12) _computing_cell_refinement 'SAINT+ V6.2 (Bruker, 2001)' _computing_data_collection 'SMART V5.625 (Bruker, 2001)' _computing_data_reduction 'SAINT+ V6.2' _computing_molecular_graphics 'SHELXTL V6.1 (Sheldrick, 1997)' _computing_publication_material 'SHELXTL V6.1' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 294(2) _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device_type 'Bruker SMART APEX CCD diffractometer' _diffrn_measurement_method 'omega scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0245 _diffrn_reflns_av_sigmaI/netI 0.0280 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_k_max 35 _diffrn_reflns_limit_k_min -35 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_number 29402 _diffrn_reflns_theta_full 28.28 _diffrn_reflns_theta_max 28.28 _diffrn_reflns_theta_min 1.86 _diffrn_standards_decay_% <1% _exptl_absorpt_coefficient_mu 14.278 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.475 _exptl_absorpt_correction_type SADABS _exptl_absorpt_process_details '(SADABS, Bruker, 1997)' _exptl_crystal_colour orange _exptl_crystal_density_diffrn 2.514 _exptl_crystal_density_method 'not measured' _exptl_crystal_description bar _exptl_crystal_F_000 1970 _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.06 _refine_diff_density_max 2.328 _refine_diff_density_min -0.551 _refine_diff_density_rms 0.146 _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.024(6) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.042 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 311 _refine_ls_number_reflns 7064 _refine_ls_number_restraints 3 _refine_ls_restrained_S_all 1.045 _refine_ls_R_factor_all 0.0241 _refine_ls_R_factor_gt 0.0222 _refine_ls_shift/su_max 0.005 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0320P)^2^+1.4610P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0575 _refine_ls_wR_factor_ref 0.0589 _reflns_number_gt 6733 _reflns_number_total 7064 _reflns_threshold_expression >2sigma(I) _[local]_cod_data_source_file ic070261a-file002_4.cif _[local]_cod_data_source_block pnn2 _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius ; _cod_database_code 4308225 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' 'x+1/2, -y+1/2, z+1/2' '-x+1/2, y+1/2, z+1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt 0.226829(18) 0.865634(8) -0.00605(3) 0.03527(5) Uani 1 1 d . . . Os1 Os 0.030313(19) 0.907583(8) 0.09190(3) 0.03667(6) Uani 1 1 d . . . Os2 Os 0.17249(2) 0.953843(9) -0.15046(3) 0.04238(6) Uani 1 1 d . . . Sn1 Sn 0.0000 1.0000 -0.02153(7) 0.04063(13) Uani 1 2 d S . . P1 P 0.37788(13) 0.81419(6) 0.06341(18) 0.0376(3) Uani 1 1 d . . . O11 O -0.1312(6) 0.8715(3) -0.1489(9) 0.087(2) Uani 1 1 d . . . O12 O -0.1610(6) 0.9011(3) 0.3113(8) 0.090(2) Uani 1 1 d . . . O13 O 0.1754(6) 0.9542(3) 0.3391(9) 0.0831(19) Uani 1 1 d . . . O14 O 0.0609(4) 0.79307(16) 0.1228(7) 0.0542(12) Uani 1 1 d . . . O21 O 0.0115(6) 0.9205(3) -0.3969(9) 0.094(2) Uani 1 1 d . . . O22 O 0.2430(9) 1.0368(3) -0.3611(11) 0.129(4) Uani 1 1 d . . . O23 O 0.3269(6) 1.0001(3) 0.0883(10) 0.091(2) Uani 1 1 d . . . O24 O 0.3095(7) 0.8750(3) -0.3186(7) 0.085(2) Uani 1 1 d . . . C11 C -0.0705(6) 0.8848(3) -0.0629(9) 0.0513(16) Uani 1 1 d . . . C12 C -0.0877(6) 0.9037(3) 0.2291(9) 0.0532(17) Uani 1 1 d . . . C13 C 0.1218(7) 0.9366(3) 0.2476(8) 0.0540(17) Uani 1 1 d . . . C14 C 0.0921(5) 0.8344(2) 0.1038(7) 0.0426(13) Uani 1 1 d . . . C21 C 0.0687(7) 0.9309(3) -0.3014(10) 0.0611(19) Uani 1 1 d . . . C22 C 0.2162(9) 1.0052(3) -0.2806(11) 0.076(3) Uani 1 1 d . . . C23 C 0.2689(7) 0.9824(3) 0.0025(11) 0.0600(19) Uani 1 1 d . . . C24 C 0.2719(7) 0.8923(3) -0.2131(8) 0.0532(17) Uani 1 1 d . . . C31 C 0.5164(5) 0.8405(3) -0.0108(10) 0.0520(16) Uani 1 1 d . . . C32 C 0.5320(7) 0.8265(4) -0.1786(9) 0.066(2) Uani 1 1 d . . . H32A H 0.5982 0.8421 -0.2161 0.098 Uiso 1 1 calc R . . H32B H 0.4692 0.8380 -0.2350 0.098 Uiso 1 1 calc R . . H32C H 0.5383 0.7906 -0.1881 0.098 Uiso 1 1 calc R . . C33 C 0.5138(6) 0.8979(3) 0.0006(12) 0.0600(19) Uani 1 1 d . . . H33A H 0.5244 0.9077 0.1029 0.090 Uiso 1 1 calc R . . H33B H 0.4435 0.9101 -0.0341 0.090 Uiso 1 1 calc R . . H33C H 0.5721 0.9118 -0.0597 0.090 Uiso 1 1 calc R . . C34 C 0.6201(6) 0.8212(4) 0.0705(11) 0.070(2) Uani 1 1 d . . . H34A H 0.6853 0.8329 0.0195 0.105 Uiso 1 1 calc R . . H34B H 0.6195 0.7851 0.0714 0.105 Uiso 1 1 calc R . . H34C H 0.6203 0.8335 0.1713 0.105 Uiso 1 1 calc R . . C35 C 0.3632(5) 0.7470(2) -0.0076(10) 0.0473(14) Uani 1 1 d . . . C36 C 0.3215(7) 0.7487(3) -0.1708(10) 0.065(2) Uani 1 1 d . . . H36A H 0.3708 0.7690 -0.2296 0.098 Uiso 1 1 calc R . . H36B H 0.2484 0.7631 -0.1733 0.098 Uiso 1 1 calc R . . H36C H 0.3192 0.7152 -0.2107 0.098 Uiso 1 1 calc R . . C37 C 0.4699(6) 0.7146(3) -0.0059(12) 0.064(2) Uani 1 1 d . . . H37A H 0.4545 0.6823 -0.0493 0.096 Uiso 1 1 calc R . . H37B H 0.4945 0.7103 0.0953 0.096 Uiso 1 1 calc R . . H37C H 0.5267 0.7312 -0.0627 0.096 Uiso 1 1 calc R . . C38 C 0.2743(6) 0.7174(3) 0.0803(13) 0.067(2) Uani 1 1 d . . . H38A H 0.2042 0.7343 0.0718 0.100 Uiso 1 1 calc R . . H38B H 0.2954 0.7156 0.1837 0.100 Uiso 1 1 calc R . . H38C H 0.2682 0.6841 0.0403 0.100 Uiso 1 1 calc R . . C39 C 0.3891(6) 0.8143(3) 0.2775(8) 0.0501(16) Uani 1 1 d . . . C40 C 0.4273(8) 0.8654(4) 0.3262(11) 0.077(3) Uani 1 1 d . . . H40A H 0.4241 0.8676 0.4332 0.116 Uiso 1 1 calc R . . H40B H 0.3800 0.8906 0.2831 0.116 Uiso 1 1 calc R . . H40C H 0.5022 0.8707 0.2934 0.116 Uiso 1 1 calc R . . C41 C 0.2726(6) 0.8062(3) 0.3484(9) 0.0609(19) Uani 1 1 d . . . H41A H 0.2807 0.7991 0.4531 0.091 Uiso 1 1 calc R . . H41B H 0.2364 0.7784 0.3002 0.091 Uiso 1 1 calc R . . H41C H 0.2288 0.8361 0.3358 0.091 Uiso 1 1 calc R . . C42 C 0.4658(7) 0.7714(4) 0.3410(11) 0.073(2) Uani 1 1 d . . . H42A H 0.5409 0.7771 0.3093 0.110 Uiso 1 1 calc R . . H42B H 0.4408 0.7394 0.3043 0.110 Uiso 1 1 calc R . . H42C H 0.4626 0.7716 0.4482 0.110 Uiso 1 1 calc R . . C1S C 0.498(3) 0.0296(10) 0.5473(19) 0.133(11) Uiso 0.50 1 d PD . . Cl1S Cl 0.5000 0.0000 0.3782(19) 0.159(5) Uiso 0.50 2 d SPD . . Cl2S Cl 0.5000 0.0000 0.7063(11) 0.097(2) Uiso 0.50 2 d SPD . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.03695(11) 0.03182(10) 0.03704(10) -0.00162(9) 0.00515(9) 0.00230(8) Os1 0.03805(11) 0.03083(10) 0.04113(11) 0.00085(9) 0.00693(10) 0.00279(8) Os2 0.04707(14) 0.03719(12) 0.04288(12) 0.00617(10) 0.01027(11) 0.00394(10) Sn1 0.0457(3) 0.0303(2) 0.0458(3) 0.000 0.000 0.0060(2) P1 0.0360(7) 0.0356(7) 0.0413(8) -0.0020(6) 0.0046(6) 0.0033(6) O11 0.081(4) 0.096(5) 0.084(4) -0.012(4) -0.021(4) -0.023(4) O12 0.078(4) 0.107(5) 0.084(5) 0.002(4) 0.043(4) 0.005(4) O13 0.099(5) 0.095(5) 0.055(3) -0.015(3) -0.009(4) -0.015(4) O14 0.047(2) 0.033(2) 0.083(4) 0.010(2) 0.010(3) 0.0003(18) O21 0.093(5) 0.135(7) 0.055(4) -0.014(4) -0.016(4) -0.004(5) O22 0.167(9) 0.090(6) 0.129(8) 0.062(6) 0.061(7) 0.005(5) O23 0.100(5) 0.079(4) 0.093(5) -0.013(4) -0.010(4) -0.034(4) O24 0.117(5) 0.091(5) 0.047(3) 0.003(3) 0.021(3) 0.052(4) C11 0.051(4) 0.040(3) 0.063(4) -0.001(3) -0.002(3) -0.004(3) C12 0.047(4) 0.049(4) 0.063(4) 0.006(3) 0.015(3) -0.001(3) C13 0.060(4) 0.059(4) 0.043(4) -0.004(3) 0.008(3) -0.003(3) C14 0.049(3) 0.038(3) 0.040(3) 0.004(3) 0.004(3) 0.008(2) C21 0.056(5) 0.073(5) 0.054(4) -0.006(4) 0.009(4) 0.002(4) C22 0.094(7) 0.060(5) 0.074(6) 0.025(4) 0.021(5) 0.004(4) C23 0.066(5) 0.047(4) 0.067(5) 0.001(4) 0.018(4) -0.014(3) C24 0.064(5) 0.051(4) 0.045(4) 0.004(3) 0.008(3) 0.012(3) C31 0.041(3) 0.057(4) 0.059(4) -0.006(4) 0.009(3) -0.004(3) C32 0.054(5) 0.085(6) 0.057(5) -0.003(4) 0.022(4) -0.002(4) C33 0.045(4) 0.053(4) 0.082(5) -0.006(4) 0.007(4) -0.016(3) C34 0.042(4) 0.089(6) 0.078(6) -0.005(5) 0.002(4) -0.001(4) C35 0.042(3) 0.033(3) 0.066(4) 0.000(3) 0.003(3) 0.004(2) C36 0.059(5) 0.064(5) 0.073(6) -0.029(4) -0.011(4) 0.008(4) C37 0.054(4) 0.050(4) 0.087(6) 0.001(4) 0.004(4) 0.014(3) C38 0.050(4) 0.041(4) 0.109(7) 0.009(4) 0.010(5) -0.002(3) C39 0.045(4) 0.066(4) 0.039(3) 0.004(3) -0.003(3) 0.004(3) C40 0.073(6) 0.100(7) 0.058(5) -0.029(5) -0.005(5) -0.006(5) C41 0.064(5) 0.081(5) 0.038(3) 0.008(4) 0.008(4) 0.007(4) C42 0.072(6) 0.095(7) 0.053(4) 0.017(5) -0.014(4) 0.010(5) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C24 Pt1 C14 140.6(3) . . ? C24 Pt1 P1 103.5(2) . . ? C14 Pt1 P1 104.34(17) . . ? C24 Pt1 Os2 49.2(2) . . ? C14 Pt1 Os2 112.15(16) . . ? P1 Pt1 Os2 143.09(4) . . ? C24 Pt1 Os1 111.9(2) . . ? C14 Pt1 Os1 48.59(16) . . ? P1 Pt1 Os1 144.32(4) . . ? Os2 Pt1 Os1 66.510(8) . . ? C12 Os1 C13 89.0(3) . . ? C12 Os1 C11 88.6(3) . . ? C13 Os1 C11 174.1(3) . . ? C12 Os1 C14 100.7(3) . . ? C13 Os1 C14 97.5(3) . . ? C11 Os1 C14 88.2(3) . . ? C12 Os1 Sn1 101.2(2) . . ? C13 Os1 Sn1 89.2(2) . . ? C11 Os1 Sn1 86.0(2) . . ? C14 Os1 Sn1 157.21(18) . . ? C12 Os1 Pt1 146.5(2) . . ? C13 Os1 Pt1 84.3(2) . . ? C11 Os1 Pt1 100.6(2) . . ? C14 Os1 Pt1 48.17(18) . . ? Sn1 Os1 Pt1 111.498(12) . . ? C12 Os1 Os2 156.6(2) . . ? C13 Os1 Os2 91.8(2) . . ? C11 Os1 Os2 88.3(2) . . ? C14 Os1 Os2 102.31(18) . . ? Sn1 Os1 Os2 55.518(11) . . ? Pt1 Os1 Os2 56.663(8) . . ? C22 Os2 C21 88.7(4) . . ? C22 Os2 C23 89.2(4) . . ? C21 Os2 C23 174.9(4) . . ? C22 Os2 C24 103.9(4) . . ? C21 Os2 C24 86.4(3) . . ? C23 Os2 C24 98.6(3) . . ? C22 Os2 Sn1 98.8(3) . . ? C21 Os2 Sn1 86.8(2) . . ? C23 Os2 Sn1 89.0(2) . . ? C24 Os2 Sn1 156.1(2) . . ? C22 Os2 Pt1 147.8(3) . . ? C21 Os2 Pt1 102.2(3) . . ? C23 Os2 Pt1 81.9(2) . . ? C24 Os2 Pt1 47.8(2) . . ? Sn1 Os2 Pt1 111.871(14) . . ? C22 Os2 Os1 154.5(3) . . ? C21 Os2 Os1 90.3(3) . . ? C23 Os2 Os1 89.6(2) . . ? C24 Os2 Os1 101.4(2) . . ? Sn1 Os2 Os1 55.733(10) . . ? Pt1 Os2 Os1 56.827(8) . . ? Os2 Sn1 Os2 128.91(3) . 2_575 ? Os2 Sn1 Os1 133.532(8) . 2_575 ? Os2 Sn1 Os1 68.749(7) 2_575 2_575 ? Os2 Sn1 Os1 68.749(7) . . ? Os2 Sn1 Os1 133.533(8) 2_575 . ? Os1 Sn1 Os1 135.53(3) 2_575 . ? C35 P1 C39 109.9(4) . . ? C35 P1 C31 107.8(3) . . ? C39 P1 C31 106.4(3) . . ? C35 P1 Pt1 112.6(2) . . ? C39 P1 Pt1 108.4(2) . . ? C31 P1 Pt1 111.5(2) . . ? O11 C11 Os1 177.8(8) . . ? O12 C12 Os1 178.9(8) . . ? O13 C13 Os1 179.2(8) . . ? O14 C14 Pt1 134.0(5) . . ? O14 C14 Os1 140.0(5) . . ? Pt1 C14 Os1 83.2(2) . . ? O21 C21 Os2 174.3(9) . . ? O22 C22 Os2 179.9(14) . . ? O23 C23 Os2 177.6(8) . . ? O24 C24 Pt1 135.2(6) . . ? O24 C24 Os2 139.3(6) . . ? Pt1 C24 Os2 83.0(3) . . ? C33 C31 C34 108.6(7) . . ? C33 C31 C32 107.9(7) . . ? C34 C31 C32 106.1(6) . . ? C33 C31 P1 108.8(5) . . ? C34 C31 P1 114.8(6) . . ? C32 C31 P1 110.5(5) . . ? C38 C35 C36 105.7(7) . . ? C38 C35 C37 106.8(6) . . ? C36 C35 C37 107.3(7) . . ? C38 C35 P1 111.8(5) . . ? C36 C35 P1 108.5(5) . . ? C37 C35 P1 116.2(5) . . ? C40 C39 C41 106.6(7) . . ? C40 C39 C42 111.8(7) . . ? C41 C39 C42 106.4(6) . . ? C40 C39 P1 108.2(6) . . ? C41 C39 P1 110.1(5) . . ? C42 C39 P1 113.6(6) . . ? C1S C1S Cl2S 61.1(9) 2_655 . ? C1S C1S Cl1S 62.5(9) 2_655 . ? Cl2S C1S Cl1S 123.6(17) . . ? C1S Cl1S C1S 54.9(18) . 2_655 ? C1S Cl2S C1S 57.8(18) . 2_655 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 C24 2.057(7) . ? Pt1 C14 2.072(6) . ? Pt1 P1 2.3602(16) . ? Pt1 Os2 2.7557(3) . ? Pt1 Os1 2.7609(3) . ? Os1 C12 1.882(7) . ? Os1 C13 1.937(8) . ? Os1 C11 1.940(8) . ? Os1 C14 2.085(6) . ? Os1 Sn1 2.6824(3) . ? Os1 Os2 3.0251(3) . ? Os2 C22 1.870(8) . ? Os2 C21 1.940(9) . ? Os2 C23 1.949(10) . ? Os2 C24 2.103(7) . ? Os2 Sn1 2.6756(4) . ? Sn1 Os2 2.6756(4) 2_575 ? Sn1 Os1 2.6824(3) 2_575 ? P1 C35 1.904(6) . ? P1 C39 1.921(7) . ? P1 C31 1.928(7) . ? O11 C11 1.118(10) . ? O12 C12 1.151(9) . ? O13 C13 1.144(11) . ? O14 C14 1.174(7) . ? O21 C21 1.132(11) . ? O22 C22 1.153(10) . ? O23 C23 1.140(11) . ? O24 C24 1.144(9) . ? C31 C33 1.527(10) . ? C31 C34 1.535(11) . ? C31 C32 1.559(12) . ? C35 C38 1.544(10) . ? C35 C36 1.545(12) . ? C35 C37 1.547(9) . ? C39 C40 1.498(12) . ? C39 C41 1.556(10) . ? C39 C42 1.575(11) . ? C1S C1S 1.57(5) 2_655 ? C1S Cl2S 1.626(17) . ? C1S Cl1S 1.705(17) . ? Cl1S C1S 1.705(17) 2_655 ? Cl2S C1S 1.626(17) 2_655 ?