data_ellips _audit_creation_method SHELXL-97 _chemical_name_systematic ; Hexakis-tert-butylthiolatobistrimethylphosphinehexacopper(I) ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C30 H72 Cu6 P2 S6' _chemical_formula_weight 1068.42 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' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cu' 'Cu' 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M Pn loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, -y, z+1/2' _cell_length_a 10.7396(10) _cell_length_b 10.7984(10) _cell_length_c 20.278(2) _cell_angle_alpha 90.00 _cell_angle_beta 93.610(2) _cell_angle_gamma 90.00 _cell_volume 2347.0(4) _cell_formula_units_Z 2 _cell_measurement_temperature 153(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min 1.89 _cell_measurement_theta_max 28.81 _exptl_crystal_description cut _exptl_crystal_colour yellow _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.16 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.512 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1104 _exptl_absorpt_coefficient_mu 3.024 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_correction_T_min 0.66153 _exptl_absorpt_correction_T_max 0.82914 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 153(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 20830 _diffrn_reflns_av_R_equivalents 0.0523 _diffrn_reflns_av_sigmaI/netI 0.0559 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 1.89 _diffrn_reflns_theta_max 28.81 _reflns_number_total 10762 _reflns_number_gt 9189 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0376P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.135(8) _refine_ls_number_reflns 10762 _refine_ls_number_parameters 422 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0438 _refine_ls_R_factor_gt 0.0334 _refine_ls_wR_factor_ref 0.0777 _refine_ls_wR_factor_gt 0.0738 _refine_ls_goodness_of_fit_ref 0.991 _refine_ls_restrained_S_all 0.991 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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 C3 C 0.2053(4) 0.6059(4) 0.5797(2) 0.0277(9) Uani 1 1 d . . . C4 C 0.7017(4) 0.9270(4) 0.4776(2) 0.0288(9) Uani 1 1 d . . . C5 C 0.4588(4) 0.5732(4) 0.8334(2) 0.0295(9) Uani 1 1 d . . . C6 C 0.8951(4) 0.8923(4) 0.7446(2) 0.0303(9) Uani 1 1 d . . . C7 C 0.4099(4) 1.0941(4) 0.7294(2) 0.0329(9) Uani 1 1 d . . . C8 C 0.7511(4) 0.4187(4) 0.6004(2) 0.0277(9) Uani 1 1 d . . . C11 C 0.2294(6) 0.9480(5) 0.4370(2) 0.0616(16) Uani 1 1 d . . . H11A H 0.2053 1.0096 0.4031 0.092 Uiso 1 1 calc R . . H11B H 0.1633 0.8858 0.4390 0.092 Uiso 1 1 calc R . . H11C H 0.3071 0.9076 0.4259 0.092 Uiso 1 1 calc R . . C12 C 0.1023(5) 1.0923(6) 0.5289(3) 0.0636(17) Uani 1 1 d . . . H12A H 0.0708 1.1331 0.4881 0.095 Uiso 1 1 calc R . . H12B H 0.1105 1.1533 0.5647 0.095 Uiso 1 1 calc R . . H12C H 0.0440 1.0272 0.5405 0.095 Uiso 1 1 calc R . . C13 C 0.3447(5) 1.1590(5) 0.4956(3) 0.0489(13) Uani 1 1 d . . . H13A H 0.3480 1.2181 0.5324 0.073 Uiso 1 1 calc R . . H13B H 0.3060 1.1985 0.4559 0.073 Uiso 1 1 calc R . . H13C H 0.4296 1.1327 0.4871 0.073 Uiso 1 1 calc R . . C21 C 0.3065(5) 0.6315(6) 0.3502(3) 0.0654(17) Uani 1 1 d . . . H21A H 0.2380 0.5935 0.3727 0.098 Uiso 1 1 calc R . . H21B H 0.3101 0.5953 0.3060 0.098 Uiso 1 1 calc R . . H21C H 0.2924 0.7209 0.3463 0.098 Uiso 1 1 calc R . . C22 C 0.5612(5) 0.6265(6) 0.3339(3) 0.0638(18) Uani 1 1 d . . . H22A H 0.5358 0.5757 0.2953 0.096 Uiso 1 1 calc R . . H22B H 0.6453 0.6024 0.3507 0.096 Uiso 1 1 calc R . . H22C H 0.5611 0.7140 0.3211 0.096 Uiso 1 1 calc R . . C23 C 0.4560(8) 0.4359(5) 0.4051(3) 0.075(2) Uani 1 1 d . . . H23A H 0.5302 0.4108 0.4324 0.112 Uiso 1 1 calc R . . H23B H 0.4585 0.3987 0.3611 0.112 Uiso 1 1 calc R . . H23C H 0.3810 0.4079 0.4258 0.112 Uiso 1 1 calc R . . C31 C 0.1576(5) 0.6069(6) 0.6493(3) 0.0609(17) Uani 1 1 d . . . H31A H 0.2094 0.5520 0.6780 0.091 Uiso 1 1 calc R . . H31B H 0.0710 0.5781 0.6474 0.091 Uiso 1 1 calc R . . H31C H 0.1620 0.6914 0.6670 0.091 Uiso 1 1 calc R . . C32 C 0.1159(4) 0.6675(5) 0.5304(3) 0.0517(14) Uani 1 1 d . . . H32A H 0.0344 0.6267 0.5305 0.078 Uiso 1 1 calc R . . H32B H 0.1477 0.6613 0.4863 0.078 Uiso 1 1 calc R . . H32C H 0.1072 0.7550 0.5422 0.078 Uiso 1 1 calc R . . C33 C 0.2291(5) 0.4747(5) 0.5598(4) 0.0698(19) Uani 1 1 d . . . H33A H 0.2488 0.4725 0.5133 0.105 Uiso 1 1 calc R . . H33B H 0.1545 0.4247 0.5658 0.105 Uiso 1 1 calc R . . H33C H 0.2995 0.4413 0.5874 0.105 Uiso 1 1 calc R . . C41 C 0.8060(4) 0.8362(5) 0.4705(3) 0.0474(13) Uani 1 1 d . . . H41A H 0.8689 0.8730 0.4434 0.071 Uiso 1 1 calc R . . H41B H 0.7729 0.7607 0.4491 0.071 Uiso 1 1 calc R . . H41C H 0.8444 0.8158 0.5143 0.071 Uiso 1 1 calc R . . C42 C 0.6318(4) 0.9523(5) 0.4107(2) 0.0402(11) Uani 1 1 d . . . H42A H 0.6027 0.8739 0.3910 0.060 Uiso 1 1 calc R . . H42B H 0.6880 0.9932 0.3813 0.060 Uiso 1 1 calc R . . H42C H 0.5601 1.0061 0.4171 0.060 Uiso 1 1 calc R . . C43 C 0.7501(5) 1.0504(4) 0.5073(3) 0.0445(12) Uani 1 1 d . . . H43A H 0.6795 1.1058 0.5134 0.067 Uiso 1 1 calc R . . H43B H 0.8066 1.0890 0.4772 0.067 Uiso 1 1 calc R . . H43C H 0.7949 1.0349 0.5501 0.067 Uiso 1 1 calc R . . C51 C 0.4349(4) 0.4513(4) 0.8698(2) 0.0400(11) Uani 1 1 d . . . H51A H 0.3925 0.4691 0.9102 0.060 Uiso 1 1 calc R . . H51B H 0.5146 0.4101 0.8814 0.060 Uiso 1 1 calc R . . H51C H 0.3823 0.3971 0.8411 0.060 Uiso 1 1 calc R . . C52 C 0.5454(5) 0.6541(6) 0.8757(3) 0.0552(15) Uani 1 1 d . . . H52A H 0.5074 0.6725 0.9174 0.083 Uiso 1 1 calc R . . H52B H 0.5603 0.7316 0.8523 0.083 Uiso 1 1 calc R . . H52C H 0.6248 0.6109 0.8851 0.083 Uiso 1 1 calc R . . C53 C 0.3346(5) 0.6383(5) 0.8192(3) 0.0454(12) Uani 1 1 d . . . H53A H 0.3471 0.7123 0.7924 0.068 Uiso 1 1 calc R . . H53B H 0.3002 0.6624 0.8609 0.068 Uiso 1 1 calc R . . H53C H 0.2764 0.5821 0.7950 0.068 Uiso 1 1 calc R . . C61 C 1.0114(4) 0.8270(5) 0.7737(2) 0.0404(11) Uani 1 1 d . . . H61A H 1.0089 0.8231 0.8219 0.061 Uiso 1 1 calc R . . H61B H 1.0857 0.8730 0.7622 0.061 Uiso 1 1 calc R . . H61C H 1.0147 0.7429 0.7558 0.061 Uiso 1 1 calc R . . C62 C 0.8917(5) 1.0257(4) 0.7691(3) 0.0437(11) Uani 1 1 d . . . H62A H 0.8197 1.0684 0.7475 0.066 Uiso 1 1 calc R . . H62B H 0.9685 1.0682 0.7585 0.066 Uiso 1 1 calc R . . H62C H 0.8847 1.0262 0.8170 0.066 Uiso 1 1 calc R . . C63 C 0.8925(5) 0.8914(5) 0.6699(2) 0.0485(13) Uani 1 1 d . . . H63A H 0.9607 0.9428 0.6553 0.073 Uiso 1 1 calc R . . H63B H 0.8125 0.9246 0.6518 0.073 Uiso 1 1 calc R . . H63C H 0.9025 0.8063 0.6543 0.073 Uiso 1 1 calc R . . C71 C 0.4604(6) 1.0962(5) 0.8023(3) 0.0522(14) Uani 1 1 d . . . H71A H 0.4696 1.1822 0.8173 0.078 Uiso 1 1 calc R . . H71B H 0.5418 1.0549 0.8065 0.078 Uiso 1 1 calc R . . H71C H 0.4020 1.0528 0.8295 0.078 Uiso 1 1 calc R . . C72 C 0.4960(6) 1.1612(5) 0.6866(3) 0.0564(15) Uani 1 1 d . . . H72A H 0.5772 1.1194 0.6887 0.085 Uiso 1 1 calc R . . H72B H 0.5067 1.2467 0.7022 0.085 Uiso 1 1 calc R . . H72C H 0.4605 1.1614 0.6409 0.085 Uiso 1 1 calc R . . C73 C 0.2816(5) 1.1534(5) 0.7226(3) 0.0598(16) Uani 1 1 d . . . H73A H 0.2527 1.1565 0.6758 0.090 Uiso 1 1 calc R . . H73B H 0.2861 1.2376 0.7406 0.090 Uiso 1 1 calc R . . H73C H 0.2230 1.1043 0.7470 0.090 Uiso 1 1 calc R . . C81 C 0.7972(5) 0.3224(4) 0.6505(3) 0.0428(11) Uani 1 1 d . . . H81A H 0.8857 0.3370 0.6629 0.064 Uiso 1 1 calc R . . H81B H 0.7868 0.2396 0.6312 0.064 Uiso 1 1 calc R . . H81C H 0.7490 0.3285 0.6898 0.064 Uiso 1 1 calc R . . C82 C 0.6115(4) 0.4077(4) 0.5853(2) 0.0343(10) Uani 1 1 d . . . H82A H 0.5685 0.4182 0.6262 0.052 Uiso 1 1 calc R . . H82B H 0.5920 0.3259 0.5665 0.052 Uiso 1 1 calc R . . H82C H 0.5837 0.4719 0.5536 0.052 Uiso 1 1 calc R . . C83 C 0.8172(5) 0.4067(5) 0.5372(3) 0.0564(15) Uani 1 1 d . . . H83A H 0.8019 0.3242 0.5183 0.085 Uiso 1 1 calc R . . H83B H 0.9070 0.4185 0.5466 0.085 Uiso 1 1 calc R . . H83C H 0.7856 0.4697 0.5056 0.085 Uiso 1 1 calc R . . Cu1 Cu 0.69428(4) 0.63717(4) 0.72339(2) 0.02397(11) Uani 1 1 d . . . Cu2 Cu 0.46033(4) 0.63376(5) 0.67192(2) 0.02621(11) Uani 1 1 d . . . Cu3 Cu 0.58183(4) 0.85774(5) 0.72461(3) 0.03063(12) Uani 1 1 d . . . Cu4 Cu 0.67401(4) 0.71535(4) 0.59122(2) 0.02693(11) Uani 1 1 d . . . Cu5 Cu 0.47376(4) 0.70640(4) 0.49161(2) 0.02607(11) Uani 1 1 d . . . Cu6 Cu 0.33525(4) 0.90741(5) 0.59718(3) 0.03031(12) Uani 1 1 d . . . P1 P 0.25293(10) 1.02439(10) 0.51693(6) 0.0322(2) Uani 1 1 d . . . P2 P 0.45305(11) 0.60300(10) 0.39759(6) 0.0314(2) Uani 1 1 d . . . S1 S 0.35571(8) 0.69327(9) 0.58213(5) 0.02295(19) Uani 1 1 d . . . S2 S 0.58612(9) 0.86747(9) 0.53517(5) 0.02480(19) Uani 1 1 d . . . S3 S 0.53133(9) 0.52511(9) 0.75639(5) 0.0251(2) Uani 1 1 d . . . S4 S 0.75929(9) 0.81043(9) 0.77723(5) 0.0279(2) Uani 1 1 d . . . S5 S 0.39454(9) 0.92993(9) 0.70396(5) 0.0275(2) Uani 1 1 d . . . S6 S 0.79493(9) 0.57315(9) 0.63569(5) 0.0257(2) Uani 1 1 d . . . 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 C3 0.0192(18) 0.024(2) 0.040(2) -0.0015(17) 0.0013(17) -0.0056(15) C4 0.0247(19) 0.027(2) 0.035(2) 0.0088(18) 0.0000(17) -0.0038(16) C5 0.034(2) 0.028(2) 0.028(2) 0.0005(17) 0.0072(17) -0.0013(17) C6 0.031(2) 0.029(2) 0.030(2) -0.0014(18) -0.0022(18) -0.0108(18) C7 0.043(3) 0.026(2) 0.030(2) -0.0063(17) 0.0031(19) 0.0003(18) C8 0.034(2) 0.0215(19) 0.028(2) -0.0039(16) 0.0050(17) -0.0017(17) C11 0.097(5) 0.049(3) 0.037(3) 0.012(3) -0.011(3) -0.013(3) C12 0.038(3) 0.082(4) 0.071(4) 0.033(3) 0.008(3) 0.021(3) C13 0.048(3) 0.034(3) 0.064(4) 0.015(2) -0.003(3) -0.006(2) C21 0.048(3) 0.091(5) 0.055(3) -0.030(3) -0.013(3) 0.002(3) C22 0.058(3) 0.083(4) 0.053(3) -0.029(3) 0.025(3) -0.027(3) C23 0.158(7) 0.027(3) 0.039(3) -0.005(2) 0.006(4) -0.006(3) C31 0.032(3) 0.104(5) 0.048(3) 0.005(3) 0.008(2) -0.021(3) C32 0.035(2) 0.059(3) 0.059(3) 0.025(3) -0.018(2) -0.020(2) C33 0.047(3) 0.030(3) 0.133(6) -0.015(3) 0.013(3) -0.016(2) C41 0.035(3) 0.065(3) 0.044(3) 0.026(3) 0.017(2) 0.014(2) C42 0.037(2) 0.048(3) 0.036(2) 0.015(2) 0.001(2) 0.000(2) C43 0.043(3) 0.045(3) 0.046(3) 0.006(2) 0.003(2) -0.017(2) C51 0.043(3) 0.041(3) 0.037(3) 0.006(2) 0.009(2) 0.003(2) C52 0.059(3) 0.071(4) 0.037(3) -0.022(3) 0.017(2) -0.025(3) C53 0.045(3) 0.049(3) 0.043(3) 0.007(2) 0.017(2) 0.014(2) C61 0.035(2) 0.042(3) 0.045(3) -0.002(2) 0.005(2) -0.005(2) C62 0.041(3) 0.030(2) 0.059(3) -0.004(2) -0.009(2) -0.008(2) C63 0.054(3) 0.056(3) 0.034(3) -0.001(2) 0.000(2) -0.026(3) C71 0.069(4) 0.045(3) 0.043(3) -0.017(2) -0.003(3) 0.009(3) C72 0.080(4) 0.031(3) 0.059(3) -0.001(2) 0.009(3) -0.025(3) C73 0.056(3) 0.048(3) 0.075(4) -0.019(3) -0.006(3) 0.018(3) C81 0.045(3) 0.024(2) 0.057(3) 0.005(2) -0.010(2) 0.005(2) C82 0.038(2) 0.030(2) 0.036(2) -0.0017(19) 0.0036(19) -0.0042(19) C83 0.064(3) 0.047(3) 0.063(4) -0.021(3) 0.036(3) -0.018(3) Cu1 0.0234(2) 0.0236(2) 0.0247(3) 0.0002(2) -0.00045(19) -0.00086(19) Cu2 0.0241(2) 0.0298(3) 0.0244(3) 0.0004(2) -0.00054(19) -0.0002(2) Cu3 0.0283(2) 0.0262(3) 0.0368(3) -0.0016(2) -0.0019(2) 0.0002(2) Cu4 0.0281(3) 0.0234(2) 0.0289(3) 0.0021(2) -0.0007(2) -0.0036(2) Cu5 0.0246(2) 0.0251(2) 0.0283(3) -0.0025(2) -0.00008(19) -0.00216(19) Cu6 0.0330(3) 0.0232(2) 0.0336(3) 0.0006(2) -0.0058(2) 0.0000(2) P1 0.0308(5) 0.0279(6) 0.0373(6) 0.0070(5) -0.0029(5) -0.0011(5) P2 0.0338(6) 0.0307(6) 0.0299(6) -0.0055(5) 0.0039(5) -0.0049(5) S1 0.0208(4) 0.0224(5) 0.0253(5) -0.0010(4) -0.0013(4) -0.0018(4) S2 0.0231(4) 0.0238(5) 0.0272(5) -0.0003(4) -0.0001(4) -0.0028(4) S3 0.0275(5) 0.0240(5) 0.0240(5) 0.0001(4) 0.0026(4) -0.0014(4) S4 0.0289(5) 0.0278(5) 0.0267(5) -0.0025(4) -0.0017(4) -0.0055(4) S5 0.0296(5) 0.0222(5) 0.0303(5) 0.0002(4) -0.0004(4) -0.0017(4) S6 0.0242(5) 0.0241(5) 0.0290(5) -0.0004(4) 0.0037(4) -0.0026(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 C3 C32 1.497(6) . ? C3 C33 1.498(6) . ? C3 C31 1.532(7) . ? C3 S1 1.869(4) . ? C4 C41 1.503(6) . ? C4 C42 1.532(6) . ? C4 C43 1.539(6) . ? C4 S2 1.870(4) . ? C5 C52 1.504(6) . ? C5 C53 1.519(6) . ? C5 C51 1.539(6) . ? C5 S3 1.863(4) . ? C6 C63 1.512(6) . ? C6 C61 1.521(6) . ? C6 C62 1.525(6) . ? C6 S4 1.862(4) . ? C7 C72 1.495(7) . ? C7 C73 1.518(7) . ? C7 C71 1.543(7) . ? C7 S5 1.851(4) . ? C8 C83 1.509(6) . ? C8 C81 1.515(6) . ? C8 C82 1.516(6) . ? C8 S6 1.864(4) . ? C11 P1 1.822(5) . ? C12 P1 1.806(5) . ? C13 P1 1.824(5) . ? C21 P2 1.818(6) . ? C22 P2 1.809(5) . ? C23 P2 1.810(5) . ? Cu1 S6 2.2474(11) . ? Cu1 S4 2.2547(11) . ? Cu1 S3 2.2632(11) . ? Cu2 S3 2.1743(11) . ? Cu2 S1 2.1755(11) . ? Cu3 S5 2.1732(11) . ? Cu3 S4 2.1853(12) . ? Cu4 S6 2.1702(11) . ? Cu4 S2 2.1786(11) . ? Cu5 P2 2.2086(12) . ? Cu5 S2 2.2644(10) . ? Cu5 S1 2.2999(10) . ? Cu6 P1 2.2009(12) . ? Cu6 S5 2.2314(11) . ? Cu6 S1 2.3446(11) . ? 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 C32 C3 C33 110.8(5) . . ? C32 C3 C31 112.0(4) . . ? C33 C3 C31 109.1(5) . . ? C32 C3 S1 108.0(3) . . ? C33 C3 S1 108.8(3) . . ? C31 C3 S1 108.1(3) . . ? C41 C4 C42 111.0(4) . . ? C41 C4 C43 111.5(4) . . ? C42 C4 C43 109.0(4) . . ? C41 C4 S2 111.3(3) . . ? C42 C4 S2 107.9(3) . . ? C43 C4 S2 106.0(3) . . ? C52 C5 C53 110.1(4) . . ? C52 C5 C51 109.8(4) . . ? C53 C5 C51 108.4(4) . . ? C52 C5 S3 111.4(3) . . ? C53 C5 S3 112.2(3) . . ? C51 C5 S3 104.8(3) . . ? C63 C6 C61 110.4(4) . . ? C63 C6 C62 109.4(4) . . ? C61 C6 C62 110.3(4) . . ? C63 C6 S4 112.8(3) . . ? C61 C6 S4 106.5(3) . . ? C62 C6 S4 107.3(3) . . ? C72 C7 C73 109.5(5) . . ? C72 C7 C71 110.9(4) . . ? C73 C7 C71 110.1(4) . . ? C72 C7 S5 110.4(3) . . ? C73 C7 S5 108.3(3) . . ? C71 C7 S5 107.5(3) . . ? C83 C8 C81 111.1(4) . . ? C83 C8 C82 109.5(4) . . ? C81 C8 C82 111.0(3) . . ? C83 C8 S6 106.4(3) . . ? C81 C8 S6 107.0(3) . . ? C82 C8 S6 111.7(3) . . ? S6 Cu1 S4 119.25(4) . . ? S6 Cu1 S3 119.27(4) . . ? S4 Cu1 S3 121.47(4) . . ? S3 Cu2 S1 162.89(4) . . ? S5 Cu3 S4 161.10(5) . . ? S6 Cu4 S2 168.11(4) . . ? P2 Cu5 S2 138.36(5) . . ? P2 Cu5 S1 128.84(4) . . ? S2 Cu5 S1 92.47(4) . . ? P1 Cu6 S5 137.03(5) . . ? P1 Cu6 S1 120.42(4) . . ? S5 Cu6 S1 102.15(4) . . ? C12 P1 C11 103.2(3) . . ? C12 P1 C13 102.1(3) . . ? C11 P1 C13 101.3(3) . . ? C12 P1 Cu6 117.05(19) . . ? C11 P1 Cu6 115.14(19) . . ? C13 P1 Cu6 115.77(17) . . ? C22 P2 C23 101.0(3) . . ? C22 P2 C21 99.9(3) . . ? C23 P2 C21 102.9(3) . . ? C22 P2 Cu5 120.77(19) . . ? C23 P2 Cu5 115.5(2) . . ? C21 P2 Cu5 114.07(19) . . ? C3 S1 Cu2 105.85(14) . . ? C3 S1 Cu5 121.93(14) . . ? Cu2 S1 Cu5 113.86(4) . . ? C3 S1 Cu6 114.43(13) . . ? Cu2 S1 Cu6 103.30(4) . . ? Cu5 S1 Cu6 95.97(4) . . ? C4 S2 Cu4 107.59(13) . . ? C4 S2 Cu5 112.26(14) . . ? Cu4 S2 Cu5 80.04(4) . . ? C5 S3 Cu2 111.45(14) . . ? C5 S3 Cu1 118.08(14) . . ? Cu2 S3 Cu1 73.61(3) . . ? C6 S4 Cu3 113.21(14) . . ? C6 S4 Cu1 116.56(14) . . ? Cu3 S4 Cu1 73.96(4) . . ? C7 S5 Cu3 103.00(15) . . ? C7 S5 Cu6 112.97(15) . . ? Cu3 S5 Cu6 110.61(5) . . ? C8 S6 Cu4 110.09(14) . . ? C8 S6 Cu1 117.20(13) . . ? Cu4 S6 Cu1 78.82(4) . . ? _diffrn_measured_fraction_theta_max 0.924 _diffrn_reflns_theta_full 28.81 _diffrn_measured_fraction_theta_full 0.924 _refine_diff_density_max 0.938 _refine_diff_density_min -0.384 _refine_diff_density_rms 0.097