# Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry, 1999
# CCDC Number: 186/1535
 
data_[PdAu(triphos)Cl]Cl
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C37 H36 Au Cl12 P3 Pd' 
_chemical_formula_weight          1302.33 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 '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'   0.2955   0.4335 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'   0.3639   0.7018 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Pd'  'Pd'   0.1215   3.9337 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Au'  'Au'  -4.4197   7.2980 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            Monoclinic
_symmetry_space_group_name_H-M    P2(1)/n 
 
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' 
 
_cell_length_a                    14.0543(10) 
_cell_length_b                    15.6271(11) 
_cell_length_c                    22.714(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  104.724(5) 
_cell_angle_gamma                 90.00 
_cell_volume                      4824.8(6) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     223(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        'plate developed in (10-1)' 
_exptl_crystal_colour             Colourless
_exptl_crystal_size_max           0.23 
_exptl_crystal_size_mid           0.19 
_exptl_crystal_size_min           0.02 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.793 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              2528 
_exptl_absorpt_coefficient_mu     15.915 
_exptl_absorpt_correction_type    'Psi-scans' 
_exptl_absorpt_correction_T_min   0.182 
_exptl_absorpt_correction_T_max   0.719 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       223(2) 
_diffrn_radiation_wavelength      1.54184 
_diffrn_radiation_type            CuK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        ? 
_diffrn_measurement_method        'omega-theta'
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             7778 
_diffrn_reflns_av_R_equivalents   0.0777 
_diffrn_reflns_av_sigmaI/netI     0.0542 
_diffrn_reflns_limit_h_min        -15 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        -6 
_diffrn_reflns_limit_k_max        17 
_diffrn_reflns_limit_l_min        -5 
_diffrn_reflns_limit_l_max        25 
_diffrn_reflns_theta_min          3.47 
_diffrn_reflns_theta_max          60.01 
_reflns_number_total              5997 
_reflns_number_observed           4586 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 39 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0494P)^2^+27.7757P] 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     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          5958 
_refine_ls_number_parameters      487 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0726 
_refine_ls_R_factor_obs           0.0485 
_refine_ls_wR_factor_all          0.1276 
_refine_ls_wR_factor_obs          0.1066 
_refine_ls_goodness_of_fit_all    1.045 
_refine_ls_goodness_of_fit_obs    1.040 
_refine_ls_restrained_S_all       1.075 
_refine_ls_restrained_S_obs       1.040 
_refine_ls_shift/esd_max          -0.010 
_refine_ls_shift/esd_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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Au Au 0.90695(3) 0.04251(3) 1.05176(2) 0.03793(14) Uani 1 d . . 
Pd Pd 0.68798(5) 0.30964(4) 0.81876(3) 0.0307(2) Uani 1 d . . 
Cl1 Cl 0.6957(2) 0.4579(2) 0.80305(13) 0.0491(7) Uani 1 d . . 
Cl2 Cl 0.5824(2) 0.3251(2) 0.88460(11) 0.0411(6) Uani 1 d . . 
Cl3 Cl 0.9729(2) -0.0907(2) 1.07578(13) 0.0508(7) Uani 1 d . . 
P1 P 0.7920(2) 0.2787(2) 0.76204(11) 0.0316(5) Uani 1 d . . 
C11 C 0.7761(7) 0.3273(6) 0.6869(5) 0.034(2) Uani 1 d . . 
C12 C 0.8446(10) 0.3137(8) 0.6547(6) 0.057(3) Uani 1 d . . 
H12 H 0.9023(10) 0.2835(8) 0.6729(6) 0.069 Uiso 1 calc R . 
C13 C 0.8310(10) 0.3432(8) 0.5965(5) 0.056(3) Uani 1 d . . 
H13 H 0.8791(10) 0.3334(8) 0.5751(5) 0.067 Uiso 1 calc R . 
C14 C 0.7486(9) 0.3860(7) 0.5702(5) 0.048(3) Uani 1 d . . 
H14 H 0.7395(9) 0.4057(7) 0.5301(5) 0.058 Uiso 1 calc R . 
C15 C 0.6764(10) 0.4022(8) 0.6004(6) 0.063(4) Uani 1 d . . 
H15 H 0.6193(10) 0.4330(8) 0.5815(6) 0.075 Uiso 1 calc R . 
C16 C 0.6909(8) 0.3714(6) 0.6594(4) 0.039(2) Uani 1 d . . 
H16 H 0.6427(8) 0.3806(6) 0.6808(4) 0.046 Uiso 1 calc R . 
C11' C 0.9183(7) 0.2993(6) 0.8045(5) 0.037(2) Uani 1 d . . 
C12' C 0.9378(9) 0.3663(8) 0.8467(6) 0.058(3) Uani 1 d . . 
H12' H 0.8854(9) 0.3988(8) 0.8536(6) 0.069 Uiso 1 calc R . 
C13' C 1.0319(12) 0.3850(9) 0.8779(7) 0.078(5) Uani 1 d . . 
H13' H 1.0443(12) 0.4310(9) 0.9055(7) 0.094 Uiso 1 calc R . 
C14' C 1.1103(11) 0.3353(11) 0.8687(8) 0.089(6) Uani 1 d . . 
H14' H 1.1751(11) 0.3476(11) 0.8905(8) 0.107 Uiso 1 calc R . 
C15' C 1.0924(9) 0.2700(10) 0.8285(8) 0.076(4) Uani 1 d . . 
H15' H 1.1452(9) 0.2377(10) 0.8219(8) 0.091 Uiso 1 calc R . 
C16' C 0.9956(9) 0.2500(8) 0.7962(6) 0.057(3) Uani 1 d . . 
H16' H 0.9835(9) 0.2034(8) 0.7691(6) 0.068 Uiso 1 calc R . 
C2 C 0.7832(8) 0.1636(6) 0.7463(5) 0.036(2) Uani 1 d . . 
H2A H 0.7238(8) 0.1513(6) 0.7141(5) 0.043 Uiso 1 calc R . 
H2B H 0.8404(8) 0.1445(6) 0.7325(5) 0.043 Uiso 1 calc R . 
C3 C 0.7795(7) 0.1164(6) 0.8047(5) 0.035(2) Uani 1 d . . 
H3A H 0.8439(7) 0.1187(6) 0.8341(5) 0.042 Uiso 1 calc R . 
H3B H 0.7620(7) 0.0562(6) 0.7957(5) 0.042 Uiso 1 calc R . 
P4 P 0.6868(2) 0.1689(2) 0.83581(11) 0.0310(5) Uani 1 d . . 
C41 C 0.5717(7) 0.1177(6) 0.8006(5) 0.037(2) Uani 1 d . . 
C42 C 0.5654(9) 0.0277(6) 0.7973(5) 0.047(3) Uani 1 d . . 
H42 H 0.6208(9) -0.0066(6) 0.8132(5) 0.056 Uiso 1 calc R . 
C43 C 0.4753(10) -0.0085(8) 0.7699(7) 0.066(4) Uani 1 d . . 
H43 H 0.4715(10) -0.0685(8) 0.7664(7) 0.079 Uiso 1 calc R . 
C44 C 0.3932(10) 0.0368(9) 0.7480(6) 0.064(4) Uani 1 d . . 
H44 H 0.3334(10) 0.0093(9) 0.7300(6) 0.077 Uiso 1 calc R . 
C45 C 0.3979(8) 0.1249(9) 0.7524(6) 0.056(3) Uani 1 d . . 
H45 H 0.3408(8) 0.1578(9) 0.7379(6) 0.068 Uiso 1 calc R . 
C46 C 0.4871(8) 0.1650(8) 0.7785(5) 0.050(3) Uani 1 d . . 
H46 H 0.4898(8) 0.2250(8) 0.7811(5) 0.059 Uiso 1 calc R . 
C5 C 0.7189(7) 0.1432(6) 0.9165(4) 0.033(2) Uani 1 d . . 
H5A H 0.6619(7) 0.1531(6) 0.9331(4) 0.039 Uiso 1 calc R . 
H5B H 0.7368(7) 0.0826(6) 0.9222(4) 0.039 Uiso 1 calc R . 
C6 C 0.8044(7) 0.1980(6) 0.9505(4) 0.036(2) Uani 1 d . . 
H6A H 0.7848(7) 0.2582(6) 0.9456(4) 0.043 Uiso 1 calc R . 
H6B H 0.8596(7) 0.1900(6) 0.9320(4) 0.043 Uiso 1 calc R . 
P7 P 0.8465(2) 0.1741(2) 1.03186(12) 0.0366(6) Uani 1 d . . 
C71 C 0.7456(8) 0.1966(7) 1.0638(5) 0.043(3) Uani 1 d . . 
C72 C 0.6859(9) 0.2692(7) 1.0462(6) 0.054(3) Uani 1 d . . 
H72 H 0.6980(9) 0.3058(7) 1.0160(6) 0.065 Uiso 1 calc R . 
C73 C 0.6095(9) 0.2878(9) 1.0726(7) 0.064(4) Uani 1 d . . 
H73 H 0.5697(9) 0.3360(9) 1.0598(7) 0.077 Uiso 1 calc R . 
C74 C 0.5927(11) 0.2377(10) 1.1160(7) 0.076(4) Uani 1 d . . 
H74 H 0.5427(11) 0.2518(10) 1.1350(7) 0.091 Uiso 1 calc R . 
C75 C 0.6482(13) 0.1649(13) 1.1333(9) 0.108(7) Uani 1 d . . 
H75 H 0.6356(13) 0.1288(13) 1.1635(9) 0.130 Uiso 1 calc R . 
C76 C 0.7224(11) 0.1458(10) 1.1057(7) 0.083(5) Uani 1 d . . 
H76 H 0.7583(11) 0.0950(10) 1.1168(7) 0.100 Uiso 1 calc R . 
C71' C 0.9380(7) 0.2566(6) 1.0592(5) 0.035(2) Uani 1 d . . 
C72' C 0.9348(10) 0.3104(8) 1.1064(6) 0.062(3) Uani 1 d . . 
H72' H 0.8835(10) 0.3051(8) 1.1258(6) 0.074 Uiso 1 calc R . 
C73' C 1.0060(11) 0.3723(9) 1.1258(6) 0.070(4) Uani 1 d . . 
H73' H 1.0024(11) 0.4093(9) 1.1578(6) 0.084 Uiso 1 calc R . 
C74' C 1.0816(9) 0.3799(8) 1.0983(6) 0.054(3) Uani 1 d . . 
H74' H 1.1303(9) 0.4218(8) 1.1118(6) 0.065 Uiso 1 calc R . 
C75' C 1.0868(11) 0.3270(9) 1.0514(7) 0.081(5) Uani 1 d . . 
H75' H 1.1390(11) 0.3323(9) 1.0328(7) 0.097 Uiso 1 calc R . 
C76' C 1.0162(10) 0.2668(9) 1.0319(6) 0.066(4) Uani 1 d . . 
H76' H 1.0198(10) 0.2311(9) 0.9992(6) 0.079 Uiso 1 calc R . 
C1S C 0.3261(13) 0.4915(9) 0.0366(9) 0.094(6) Uani 1 d . . 
H1S H 0.3681(13) 0.5329(9) 0.0646(9) 0.113 Uiso 1 calc R . 
Cl1S Cl 0.3361(3) 0.3912(3) 0.0711(2) 0.0969(13) Uani 1 d . . 
Cl2S Cl 0.3644(9) 0.4852(4) -0.0296(5) 0.258(6) Uani 1 d . . 
Cl3S Cl 0.2029(4) 0.5284(3) 0.0175(2) 0.112(2) Uani 1 d . . 
C1U C 0.3956(10) 0.1636(10) 0.9146(7) 0.076(4) Uani 1 d . . 
H1T H 0.4251(10) 0.1803(10) 0.8811(7) 0.091 Uiso 1 calc R . 
Cl1T Cl 0.2884(4) 0.1050(3) 0.8839(3) 0.128(2) Uani 1 d . . 
Cl2T Cl 0.4813(3) 0.1001(3) 0.9669(2) 0.1016(14) Uani 1 d . . 
Cl3T Cl 0.3690(4) 0.2544(3) 0.9493(2) 0.1013(13) Uani 1 d . . 
C1U C 0.9318(10) 0.0345(9) 0.2804(6) 0.069(4) Uani 1 d . . 
H1U H 0.9964(10) 0.0581(9) 0.3025(6) 0.083 Uiso 1 calc R . 
Cl1U Cl 0.8429(4) 0.1122(3) 0.2775(3) 0.113(2) Uani 1 d . . 
Cl2U Cl 0.9056(4) -0.0546(4) 0.3205(3) 0.137(2) Uani 1 d . . 
Cl3U Cl 0.9403(4) -0.0005(4) 0.2085(2) 0.115(2) Uani 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 
Au 0.0403(2) 0.0373(2) 0.0328(2) 0.0031(2) 0.0032(2) 0.0016(2) 
Pd 0.0373(4) 0.0261(4) 0.0285(4) 0.0010(3) 0.0078(3) 0.0026(3) 
Cl1 0.071(2) 0.0281(12) 0.052(2) 0.0043(12) 0.0219(14) 0.0054(13) 
Cl2 0.0476(14) 0.0406(14) 0.0388(14) -0.0001(11) 0.0176(11) 0.0071(12) 
Cl3 0.055(2) 0.0435(14) 0.050(2) 0.0040(13) 0.0066(13) 0.0122(13) 
P1 0.0350(13) 0.0283(13) 0.0305(14) 0.0003(11) 0.0066(10) 0.0009(11) 
C11 0.035(5) 0.034(5) 0.034(6) -0.004(5) 0.009(4) -0.006(5) 
C12 0.070(8) 0.053(7) 0.049(8) 0.011(6) 0.014(6) 0.036(7) 
C13 0.074(8) 0.063(8) 0.039(7) 0.018(6) 0.028(6) 0.017(7) 
C14 0.075(8) 0.041(6) 0.028(6) 0.004(5) 0.013(6) 0.010(6) 
C15 0.073(9) 0.055(8) 0.053(8) 0.009(7) 0.001(7) 0.024(7) 
C16 0.042(6) 0.046(6) 0.026(5) 0.005(5) 0.005(4) 0.006(5) 
C11' 0.039(6) 0.033(5) 0.033(6) 0.003(5) -0.001(4) -0.004(5) 
C12' 0.041(6) 0.066(8) 0.058(8) -0.013(7) -0.003(6) 0.000(6) 
C13' 0.087(12) 0.066(9) 0.061(10) -0.003(8) -0.017(8) -0.021(9) 
C14' 0.050(9) 0.094(12) 0.094(13) 0.024(11) -0.035(8) -0.007(9) 
C15' 0.036(7) 0.088(10) 0.102(12) 0.007(10) 0.016(7) 0.009(7) 
C16' 0.050(7) 0.054(7) 0.063(8) 0.009(7) 0.006(6) 0.013(6) 
C2 0.046(6) 0.027(5) 0.037(6) 0.000(5) 0.017(5) 0.002(5) 
C3 0.043(6) 0.024(5) 0.034(6) -0.002(4) 0.004(4) 0.000(4) 
P4 0.0350(13) 0.0284(13) 0.0272(13) 0.0009(11) 0.0033(10) -0.0021(11) 
C41 0.038(6) 0.037(6) 0.032(6) -0.013(5) 0.002(4) -0.010(5) 
C42 0.058(7) 0.033(6) 0.047(7) 0.005(5) 0.011(5) -0.003(5) 
C43 0.063(9) 0.050(7) 0.083(10) 0.001(7) 0.013(7) -0.024(7) 
C44 0.052(8) 0.075(9) 0.062(9) -0.004(8) 0.010(6) -0.030(7) 
C45 0.035(6) 0.082(9) 0.049(8) 0.001(7) 0.006(5) 0.001(6) 
C46 0.040(6) 0.062(7) 0.043(7) -0.016(6) 0.004(5) -0.004(6) 
C5 0.048(6) 0.030(5) 0.021(5) 0.000(4) 0.010(4) 0.001(5) 
C6 0.037(5) 0.039(6) 0.030(6) 0.004(5) 0.006(4) 0.003(5) 
P7 0.0408(14) 0.0372(14) 0.0295(14) 0.0015(12) 0.0045(11) 0.0016(12) 
C71 0.045(6) 0.038(6) 0.046(7) 0.006(5) 0.011(5) -0.001(5) 
C72 0.066(8) 0.044(7) 0.058(8) 0.003(6) 0.027(6) 0.004(6) 
C73 0.049(7) 0.064(9) 0.081(10) 0.002(8) 0.020(7) 0.016(7) 
C74 0.072(9) 0.089(11) 0.080(11) -0.008(9) 0.045(8) -0.014(9) 
C75 0.089(12) 0.132(16) 0.125(16) 0.059(14) 0.066(12) 0.015(12) 
C76 0.086(11) 0.093(11) 0.085(11) 0.051(9) 0.045(9) 0.039(9) 
C71' 0.044(6) 0.027(5) 0.031(6) 0.008(5) 0.004(5) -0.004(5) 
C72' 0.071(9) 0.071(8) 0.045(7) -0.014(7) 0.019(6) -0.023(7) 
C73' 0.080(10) 0.066(9) 0.059(9) -0.030(7) 0.011(7) -0.024(8) 
C74' 0.052(7) 0.052(7) 0.049(8) -0.003(6) -0.003(6) -0.012(6) 
C75' 0.071(9) 0.081(10) 0.096(12) -0.040(9) 0.030(8) -0.039(8) 
C76' 0.063(8) 0.066(8) 0.075(9) -0.030(8) 0.028(7) -0.018(7) 
C1S 0.100(13) 0.057(9) 0.121(15) -0.041(10) 0.017(11) -0.040(9) 
Cl1S 0.089(3) 0.089(3) 0.104(3) -0.020(2) 0.008(2) 0.007(2) 
Cl2S 0.426(15) 0.097(4) 0.365(14) -0.005(6) 0.311(13) -0.041(6) 
Cl3S 0.104(3) 0.089(3) 0.116(4) 0.033(3) -0.019(3) -0.028(3) 
C1U 0.054(8) 0.092(11) 0.089(11) 0.007(9) 0.031(8) -0.002(8) 
Cl1T 0.079(3) 0.118(4) 0.173(6) -0.027(4) 0.004(3) -0.009(3) 
Cl2T 0.081(3) 0.105(3) 0.121(4) 0.032(3) 0.029(2) 0.024(2) 
Cl3T 0.101(3) 0.092(3) 0.112(4) 0.001(3) 0.028(3) 0.015(3) 
C1U 0.061(8) 0.089(10) 0.050(8) -0.003(8) 0.003(6) -0.008(8) 
Cl1U 0.083(3) 0.097(3) 0.145(5) -0.022(3) -0.002(3) -0.011(3) 
Cl2U 0.127(4) 0.152(5) 0.130(5) 0.065(4) 0.029(3) -0.022(4) 
Cl3U 0.111(4) 0.168(5) 0.055(2) -0.017(3) 0.002(2) -0.007(3) 
 
_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 
Au P7 2.228(3) . ? 
Au Cl3 2.288(3) . ? 
Pd P4 2.233(3) . ? 
Pd P1 2.234(3) . ? 
Pd Cl1 2.351(3) . ? 
Pd Cl2 2.371(2) . ? 
P1 C11' 1.820(10) . ? 
P1 C11 1.829(10) . ? 
P1 C2 1.831(9) . ? 
C11 C12 1.36(2) . ? 
C11 C16 1.386(14) . ? 
C12 C13 1.37(2) . ? 
C13 C14 1.34(2) . ? 
C14 C15 1.38(2) . ? 
C15 C16 1.39(2) . ? 
C11' C16' 1.38(2) . ? 
C11' C12' 1.40(2) . ? 
C12' C13' 1.36(2) . ? 
C13' C14' 1.41(2) . ? 
C14' C15' 1.35(2) . ? 
C15' C16' 1.41(2) . ? 
C2 C3 1.530(13) . ? 
C3 P4 1.828(10) . ? 
P4 C41 1.800(10) . ? 
P4 C5 1.819(9) . ? 
C41 C46 1.381(15) . ? 
C41 C42 1.410(14) . ? 
C42 C43 1.38(2) . ? 
C43 C44 1.34(2) . ? 
C44 C45 1.38(2) . ? 
C45 C46 1.39(2) . ? 
C5 C6 1.517(13) . ? 
C6 P7 1.829(10) . ? 
P7 C71 1.784(11) . ? 
P7 C71' 1.815(10) . ? 
C71 C76 1.34(2) . ? 
C71 C72 1.41(2) . ? 
C72 C73 1.39(2) . ? 
C73 C74 1.32(2) . ? 
C74 C75 1.38(2) . ? 
C75 C76 1.38(2) . ? 
C71' C72' 1.37(2) . ? 
C71' C76' 1.40(2) . ? 
C72' C73' 1.38(2) . ? 
C73' C74' 1.37(2) . ? 
C74' C75' 1.37(2) . ? 
C75' C76' 1.36(2) . ? 
C1S Cl2S 1.72(2) . ? 
C1S Cl1S 1.74(2) . ? 
C1S Cl3S 1.77(2) . ? 
C1U Cl3T 1.71(2) . ? 
C1U Cl1T 1.749(15) . ? 
C1U Cl2T 1.77(2) . ? 
C1U Cl1U 1.731(15) . ? 
C1U Cl2U 1.753(15) . ? 
C1U Cl3U 1.755(14) . ? 
 
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 
P7 Au Cl3 177.73(10) . . ? 
P4 Pd P1 85.49(9) . . ? 
P4 Pd Cl1 177.74(11) . . ? 
P1 Pd Cl1 93.64(10) . . ? 
P4 Pd Cl2 87.56(9) . . ? 
P1 Pd Cl2 172.71(9) . . ? 
Cl1 Pd Cl2 93.22(9) . . ? 
C11' P1 C11 107.0(5) . . ? 
C11' P1 C2 106.6(5) . . ? 
C11 P1 C2 103.9(5) . . ? 
C11' P1 Pd 110.4(4) . . ? 
C11 P1 Pd 120.4(3) . . ? 
C2 P1 Pd 107.7(3) . . ? 
C12 C11 C16 118.8(10) . . ? 
C12 C11 P1 120.0(8) . . ? 
C16 C11 P1 121.0(8) . . ? 
C11 C12 C13 121.5(11) . . ? 
C14 C13 C12 119.5(11) . . ? 
C13 C14 C15 122.0(11) . . ? 
C14 C15 C16 117.9(11) . . ? 
C11 C16 C15 120.4(10) . . ? 
C16' C11' C12' 119.1(10) . . ? 
C16' C11' P1 121.5(9) . . ? 
C12' C11' P1 119.4(8) . . ? 
C13' C12' C11' 120.8(13) . . ? 
C12' C13' C14' 119.8(14) . . ? 
C15' C14' C13' 120.0(13) . . ? 
C14' C15' C16' 120.6(14) . . ? 
C11' C16' C15' 119.6(12) . . ? 
C3 C2 P1 108.7(7) . . ? 
C2 C3 P4 107.6(6) . . ? 
C41 P4 C5 108.3(5) . . ? 
C41 P4 C3 106.1(5) . . ? 
C5 P4 C3 105.8(5) . . ? 
C41 P4 Pd 114.0(4) . . ? 
C5 P4 Pd 112.4(3) . . ? 
C3 P4 Pd 109.8(3) . . ? 
C46 C41 C42 118.5(10) . . ? 
C46 C41 P4 121.2(8) . . ? 
C42 C41 P4 120.3(9) . . ? 
C43 C42 C41 118.1(12) . . ? 
C44 C43 C42 123.7(12) . . ? 
C43 C44 C45 118.7(12) . . ? 
C44 C45 C46 120.1(12) . . ? 
C41 C46 C45 120.9(11) . . ? 
C6 C5 P4 110.5(6) . . ? 
C5 C6 P7 114.2(7) . . ? 
C71 P7 C71' 106.8(5) . . ? 
C71 P7 C6 106.5(5) . . ? 
C71' P7 C6 102.7(5) . . ? 
C71 P7 Au 113.6(4) . . ? 
C71' P7 Au 112.7(3) . . ? 
C6 P7 Au 113.7(3) . . ? 
C76 C71 C72 116.3(11) . . ? 
C76 C71 P7 122.3(9) . . ? 
C72 C71 P7 121.4(8) . . ? 
C73 C72 C71 121.1(12) . . ? 
C74 C73 C72 120.1(13) . . ? 
C73 C74 C75 120.3(13) . . ? 
C74 C75 C76 119.1(15) . . ? 
C71 C76 C75 122.9(14) . . ? 
C72' C71' C76' 117.5(10) . . ? 
C72' C71' P7 122.8(9) . . ? 
C76' C71' P7 119.7(9) . . ? 
C71' C72' C73' 120.9(12) . . ? 
C74' C73' C72' 119.9(13) . . ? 
C75' C74' C73' 120.4(12) . . ? 
C76' C75' C74' 119.7(13) . . ? 
C75' C76' C71' 121.6(13) . . ? 
Cl2S C1S Cl1S 109.5(9) . . ? 
Cl2S C1S Cl3S 107.9(11) . . ? 
Cl1S C1S Cl3S 111.4(9) . . ? 
Cl3T C1U Cl1T 110.6(8) . . ? 
Cl3T C1U Cl2T 110.4(9) . . ? 
Cl1T C1U Cl2T 110.2(8) . . ? 
Cl1U C1U Cl2U 109.4(8) . . ? 
Cl1U C1U Cl3U 113.7(8) . . ? 
Cl2U C1U Cl3U 108.0(8) . . ? 
 
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
 P4 Pd P1 C11' -99.8(3) . . . . ? 
 Cl1 Pd P1 C11' 78.1(4) . . . . ? 
 Cl2 Pd P1 C11' -82.1(9) . . . . ? 
 P4 Pd P1 C11 134.8(4) . . . . ? 
 Cl1 Pd P1 C11 -47.3(4) . . . . ? 
 Cl2 Pd P1 C11 152.5(8) . . . . ? 
 P4 Pd P1 C2 16.2(4) . . . . ? 
 Cl1 Pd P1 C2 -165.9(4) . . . . ? 
 Cl2 Pd P1 C2 33.9(9) . . . . ? 
 C11' P1 C11 C12 47.5(11) . . . . ? 
 C2 P1 C11 C12 -65.0(11) . . . . ? 
 Pd P1 C11 C12 174.5(8) . . . . ? 
 C11' P1 C11 C16 -138.6(8) . . . . ? 
 C2 P1 C11 C16 108.9(9) . . . . ? 
 Pd P1 C11 C16 -11.6(10) . . . . ? 
 C16 C11 C12 C13 0.5(19) . . . . ? 
 P1 C11 C12 C13 174.5(10) . . . . ? 
 C11 C12 C13 C14 -0.3(21) . . . . ? 
 C12 C13 C14 C15 0.5(21) . . . . ? 
 C13 C14 C15 C16 -0.8(20) . . . . ? 
 C12 C11 C16 C15 -0.9(17) . . . . ? 
 P1 C11 C16 C15 -174.8(9) . . . . ? 
 C14 C15 C16 C11 1.0(18) . . . . ? 
 C11 P1 C11' C16' -80.5(10) . . . . ? 
 C2 P1 C11' C16' 30.2(10) . . . . ? 
 Pd P1 C11' C16' 146.9(8) . . . . ? 
 C11 P1 C11' C12' 99.7(10) . . . . ? 
 C2 P1 C11' C12' -149.6(9) . . . . ? 
 Pd P1 C11' C12' -32.9(10) . . . . ? 
 C16' C11' C12' C13' 2.2(19) . . . . ? 
 P1 C11' C12' C13' -178.0(11) . . . . ? 
 C11' C12' C13' C14' -1.4(22) . . . . ? 
 C12' C13' C14' C15' 0.8(25) . . . . ? 
 C13' C14' C15' C16' -1.1(25) . . . . ? 
 C12' C11' C16' C15' -2.4(18) . . . . ? 
 P1 C11' C16' C15' 177.8(10) . . . . ? 
 C14' C15' C16' C11' 1.9(22) . . . . ? 
 C11' P1 C2 C3 75.8(8) . . . . ? 
 C11 P1 C2 C3 -171.3(7) . . . . ? 
 Pd P1 C2 C3 -42.6(7) . . . . ? 
 P1 C2 C3 P4 48.8(8) . . . . ? 
 C2 C3 P4 C41 88.2(7) . . . . ? 
 C2 C3 P4 C5 -156.9(7) . . . . ? 
 C2 C3 P4 Pd -35.4(7) . . . . ? 
 P1 Pd P4 C41 -111.0(4) . . . . ? 
 Cl1 Pd P4 C41 -178.7(1000) . . . . ? 
 Cl2 Pd P4 C41 71.2(4) . . . . ? 
 P1 Pd P4 C5 125.3(4) . . . . ? 
 Cl1 Pd P4 C5 57.6(25) . . . . ? 
 Cl2 Pd P4 C5 -52.5(4) . . . . ? 
 P1 Pd P4 C3 7.8(4) . . . . ? 
 Cl1 Pd P4 C3 -59.8(25) . . . . ? 
 Cl2 Pd P4 C3 -169.9(4) . . . . ? 
 C5 P4 C41 C46 111.1(9) . . . . ? 
 C3 P4 C41 C46 -135.7(9) . . . . ? 
 Pd P4 C41 C46 -14.8(10) . . . . ? 
 C5 P4 C41 C42 -66.4(10) . . . . ? 
 C3 P4 C41 C42 46.8(10) . . . . ? 
 Pd P4 C41 C42 167.7(8) . . . . ? 
 C46 C41 C42 C43 2.3(17) . . . . ? 
 P4 C41 C42 C43 180.0(9) . . . . ? 
 C41 C42 C43 C44 -2.1(21) . . . . ? 
 C42 C43 C44 C45 0.5(22) . . . . ? 
 C43 C44 C45 C46 0.9(21) . . . . ? 
 C42 C41 C46 C45 -1.1(17) . . . . ? 
 P4 C41 C46 C45 -178.7(9) . . . . ? 
 C44 C45 C46 C41 -0.5(19) . . . . ? 
 C41 P4 C5 C6 -169.1(7) . . . . ? 
 C3 P4 C5 C6 77.5(7) . . . . ? 
 Pd P4 C5 C6 -42.3(7) . . . . ? 
 P4 C5 C6 P7 -177.5(5) . . . . ? 
 C5 C6 P7 C71 -62.2(8) . . . . ? 
 C5 C6 P7 C71' -174.3(7) . . . . ? 
 C5 C6 P7 Au 63.7(8) . . . . ? 
 Cl3 Au P7 C71 -85.6(26) . . . . ? 
 Cl3 Au P7 C71' 36.0(27) . . . . ? 
 Cl3 Au P7 C6 152.3(26) . . . . ? 
 C71' P7 C71 C76 -111.9(13) . . . . ? 
 C6 P7 C71 C76 138.9(12) . . . . ? 
 Au P7 C71 C76 12.9(14) . . . . ? 
 C71' P7 C71 C72 68.0(10) . . . . ? 
 C6 P7 C71 C72 -41.2(11) . . . . ? 
 Au P7 C71 C72 -167.2(8) . . . . ? 
 C76 C71 C72 C73 2.0(20) . . . . ? 
 P7 C71 C72 C73 -177.9(11) . . . . ? 
 C71 C72 C73 C74 1.1(22) . . . . ? 
 C72 C73 C74 C75 -2.7(25) . . . . ? 
 C73 C74 C75 C76 1.1(29) . . . . ? 
 C72 C71 C76 C75 -3.7(26) . . . . ? 
 P7 C71 C76 C75 176.2(16) . . . . ? 
 C74 C75 C76 C71 2.3(32) . . . . ? 
 C71 P7 C71' C72' 13.8(11) . . . . ? 
 C6 P7 C71' C72' 125.7(10) . . . . ? 
 Au P7 C71' C72' -111.6(10) . . . . ? 
 C71 P7 C71' C76' -166.4(10) . . . . ? 
 C6 P7 C71' C76' -54.6(11) . . . . ? 
 Au P7 C71' C76' 68.2(10) . . . . ? 
 C76' C71' C72' C73' 0.2(19) . . . . ? 
 P7 C71' C72' C73' -180.0(10) . . . . ? 
 C71' C72' C73' C74' -0.8(22) . . . . ? 
 C72' C73' C74' C75' 0.5(23) . . . . ? 
 C73' C74' C75' C76' 0.2(23) . . . . ? 
 C74' C75' C76' C71' -0.8(24) . . . . ? 
 C72' C71' C76' C75' 0.5(21) . . . . ? 
 P7 C71' C76' C75' -179.2(12) . . . . ? 
 
_refine_diff_density_max    0.765 
_refine_diff_density_min   -0.835 
_refine_diff_density_rms    0.131 

# = = = = = = = = = = = = = = = = = = = = = = END

data_[PtAu(triphos)Cl]Cl 
_audit_creation_date        99-05-03
_audit_creation_method      CRYSTALS
#  ptp3au
_computing_data_collection DIF4
_computing_cell_refinement DIF4
_computing_data_reduction  REDU4
_computing_structure_refinement
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_publication_material
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_molecular_graphics
;
 CAMERON (Watkin, Prout & Pearce,  1996)
;
_computing_structure_solution 'SHELXS86 (Sheldrick, 1986)'
 
#==========================================================================
# NOW THE GOODIES TO BE ENTERED BY HAND
#==========================================================================
 
_chemical_melting_point                    ?
_diffrn_radiation_monochromator      graphite
_diffrn_measurement_device
;
Stoe Stadi-4 diffractometer equipped
with an Oxford Cryosystems l.t. device.
;
_refine_ls_matrix_type                   full
_refine_ls_weighting_scheme
;
 Chebychev polynomial (Carruthers & Watkin, 1979)
;
_atom_sites_solution_primary   Patterson
_atom_sites_solution_hydrogens       Geometric
_refine_ls_hydrogen_treatment
;
 H atoms placed geometrically after each cycle
;
#****************************************************************************
_chemical_name_systematic
;
 # IUPAC name, in full
 ?
;
_cell_length_a 23.077(7)
_cell_angle_alpha 90
_cell_length_b 15.84(1)
_cell_angle_beta  109.530
_cell_length_c 28.84(2)
_cell_angle_gamma 90
_cell_volume  9936.20
_symmetry_cell_setting Monoclinic
_symmetry_space_group_name_H-M I2/a
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'
 '-x+1/2,y,-z'
 'x+1/2,-y,z'
 '-x,y+1/2,-z+1/2'
 'x,-y+1/2,z+1/2'
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
 'C   '    0.0020    0.0020    2.3100   20.8439
    1.0200   10.2075    1.5886    0.5687    0.8650   51.6512    0.2156
'International_Tables_Vol_IV_Table_2.2B'
 'H   '    0.0000    0.0000    0.4930   10.5109
    0.3229   26.1257    0.1402    3.1424    0.0408   57.7997    0.0030
'International_Tables_Vol_IV_Table_2.2B'
 'Cl  '    0.1320    0.1590   11.4604    0.0104
    7.1964    1.1662    6.2556   18.5194    1.6455   47.7784   -9.5574
'International_Tables_Vol_IV_Table_2.2B'
 'P   '    0.0900    0.0950    6.4345    1.9067
    4.1791   27.1570    1.7800    0.5260    1.4908   68.1645    1.1149
'International_Tables_Vol_IV_Table_2.2B'
 'Pt  '   -2.3520    8.3880   27.0059    1.5129
   17.7639    8.8117   15.7131    0.4246    5.7837   38.6103   11.6883
'International_Tables_Vol_IV_Table_2.2B'
 'Au  '   -2.6880    8.7980   16.8819    0.4611
   18.5913    8.6216   25.5582    1.4826    5.8600   36.3956   12.0658
'International_Tables_Vol_IV_Table_2.2B'
_chemical_formula_sum
' C37 H36 Pt1 Au1 Cl12 P3 '
_chemical_formula_moiety
' C37 H36 Pt1 Au1 Cl12 P3 '
_chemical_compound_source
;
?
;
_chemical_formula_weight  1391.11
_cell_measurement_reflns_used       58
_cell_measurement_theta_min        12
_cell_measurement_theta_max        13
_cell_measurement_temperature        150
_cell_formula_units_Z     8
_exptl_crystal_description  tablet
_exptl_crystal_colour  Colourless
_exptl_crystal_size_min 0.08
_exptl_crystal_size_mid 0.19
_exptl_crystal_size_max 0.23
_exptl_crystal_density_diffrn 1.86
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 5288.47
_exptl_absorpt_coefficient_mu 6.56
_exptl_absorpt_correction_type refdelf
_exptl_absorpt_process_details 'refined from delta-F'
_exptl_absorpt_correction_T_min 0.50
_exptl_absorpt_correction_T_max 1.00
_diffrn_standards_interval_time ?60
_diffrn_standards_interval_count ?
_diffrn_standards_number 3
_diffrn_standards_decay_% +/-1
_diffrn_ambient_temperature          150
_diffrn_reflns_number 7130
_reflns_number_total 5529
_diffrn_reflns_av_R_equivalents 0.08
_reflns_number_observed 3150
_diffrn_reflns_theta_min 2.5
_diffrn_reflns_theta_max 22.5
_diffrn_reflns_limit_h_min -24
_diffrn_reflns_limit_h_max 23
_diffrn_reflns_limit_k_min 0
_diffrn_reflns_limit_k_max 17
_diffrn_reflns_limit_l_min 0
_diffrn_reflns_limit_l_max 30
_reflns_limit_h_min -24
_reflns_limit_h_max 23
_reflns_limit_k_min 0
_reflns_limit_k_max 17
_reflns_limit_l_min 0
_reflns_limit_l_max 30
_reflns_observed_criterion  >2.00\s(I)
_refine_diff_density_min -2.86
_refine_diff_density_max 4.41
_refine_ls_number_reflns 3150
_refine_ls_number_parameters 487
_refine_ls_R_factor_obs 0.1086
_refine_ls_wR_factor_obs 0.0963
_refine_ls_goodness_of_fit_obs 1.1815
_refine_ls_shift/esd_max 0.242915
_refine_ls_structure_factor_coef F
_diffrn_radiation_type       'Mo K\a'
_diffrn_radiation_wavelength      0.71073
_diffrn_measurement_method Omega
 
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 
# Uequiv = arithmetic mean of Ui
# i.e. Ueqiv = (U1+U2+U3)/3
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_thermal_displace_type
 PT1 0.06475(6) 0.56814(9) 0.30723(6) 0.0151 1.0000 Uani
 AU1 0.29923(5) 0.29961(9) 0.31491(6) 0.0208 1.0000 Uani
 CL1 0.1291(4) 0.5889(6) 0.3905(4) 0.0301 1.0000 Uani
 CL2 0.0527(4) 0.7151(5) 0.2961(4) 0.0243 1.0000 Uani
 CL3 0.3232(4) 0.1634(6) 0.3010(4) 0.0260 1.0000 Uani
 P1 0.0109(3) 0.5393(5) 0.2290(4) 0.0212 1.0000 Uani
 C11 -0.0640(6) 0.589(1) 0.2004(8) 0.023(3) 1.0000 Uiso
 C12 -0.0955(8) 0.571(1) 0.1511(7) 0.023(3) 1.0000 Uiso
 C13 -0.1549(8) 0.601(1) 0.1287(6) 0.023(3) 1.0000 Uiso
 C14 -0.1828(6) 0.649(1) 0.1557(8) 0.023(3) 1.0000 Uiso
 C15 -0.1514(8) 0.667(1) 0.2050(8) 0.023(3) 1.0000 Uiso
 C16 -0.0920(8) 0.637(1) 0.2273(6) 0.023(3) 1.0000 Uiso
 C111 0.057(1) 0.557(2) 0.1891(9) 0.048(5) 1.0000 Uiso
 C121 0.050(1) 0.508(2) 0.148(1) 0.048(5) 1.0000 Uiso
 C131 0.088(1) 0.523(2) 0.1195(8) 0.048(5) 1.0000 Uiso
 C141 0.132(1) 0.586(2) 0.133(1) 0.048(5) 1.0000 Uiso
 C151 0.138(1) 0.635(2) 0.174(1) 0.048(5) 1.0000 Uiso
 C161 0.101(1) 0.621(2) 0.2026(8) 0.048(5) 1.0000 Uiso
 C2 -0.0084(8) 0.4236(8) 0.2248(5) 0.018(4) 1.0000 Uiso
 C3 0.0551(9) 0.3773(7) 0.2547(5) 0.018(4) 1.0000 Uiso
 P4 0.0819(3) 0.4305(6) 0.3165(3) 0.0199 1.0000 Uani
 C41 0.046(1) 0.375(2) 0.3550(9) 0.040(4) 1.0000 Uiso
 C42 0.048(1) 0.288(1) 0.3601(9) 0.040(4) 1.0000 Uiso
 C43 0.021(1) 0.249(1) 0.391(1) 0.040(4) 1.0000 Uiso
 C44 -0.009(1) 0.297(2) 0.4164(9) 0.040(4) 1.0000 Uiso
 C45 -0.011(1) 0.384(2) 0.4113(9) 0.040(4) 1.0000 Uiso
 C46 0.016(1) 0.423(1) 0.381(1) 0.040(4) 1.0000 Uiso
 C5 0.1671(4) 0.410(2) 0.3443(8) 0.018(4) 1.0000 Uiso
 C6 0.1972(4) 0.464(2) 0.311(1) 0.018(4) 1.0000 Uiso
 P7 0.2802(3) 0.4303(6) 0.3316(3) 0.0214 1.0000 Uani
 C71 0.306(1) 0.510(1) 0.2974(9) 0.039(4) 1.0000 Uiso
 C72 0.286(1) 0.510(1) 0.2462(9) 0.039(4) 1.0000 Uiso
 C73 0.307(1) 0.573(2) 0.2213(6) 0.039(4) 1.0000 Uiso
 C74 0.347(1) 0.635(1) 0.2476(9) 0.039(4) 1.0000 Uiso
 C75 0.366(1) 0.635(1) 0.2988(9) 0.039(4) 1.0000 Uiso
 C76 0.346(1) 0.573(2) 0.3236(6) 0.039(4) 1.0000 Uiso
 C711 0.313(1) 0.454(2) 0.3970(5) 0.053(5) 1.0000 Uiso
 C721 0.366(1) 0.409(2) 0.4232(9) 0.053(5) 1.0000 Uiso
 C731 0.397(1) 0.428(2) 0.4724(9) 0.053(5) 1.0000 Uiso
 C741 0.375(1) 0.492(2) 0.4955(6) 0.053(5) 1.0000 Uiso
 C751 0.322(1) 0.536(2) 0.4694(9) 0.053(5) 1.0000 Uiso
 C761 0.291(1) 0.517(2) 0.4202(8) 0.053(5) 1.0000 Uiso
 C10 0.1361(9) 0.094(2) 0.509(1) 0.067(9) 1.0000 Uiso
 CL11 0.1799(8) 0.002(1) 0.523(1) 0.1359 1.0000 Uani
 CL12 0.144(1) 0.161(2) 0.5586(9) 0.1463 1.0000 Uani
 CL13 0.0592(9) 0.068(1) 0.4787(8) 0.1411 1.0000 Uani
 C20 0.5330(8) 0.251(1) 0.4149(8) 0.067(9) 1.0000 Uiso
 CL21 0.5655(6) 0.156(1) 0.4418(7) 0.1056 1.0000 Uani
 CL22 0.5319(8) 0.324(1) 0.4602(7) 0.1007 1.0000 Uani
 CL23 0.4580(5) 0.2319(8) 0.3758(5) 0.0533 1.0000 Uani
 C30 0.768(1) 0.263(2) 0.0922(8) 0.067(9) 1.0000 Uiso
 CL31 0.701(1) 0.261(2) 0.042(1) 0.1958 1.0000 Uani
 CL32 0.8048(9) 0.361(1) 0.103(1) 0.1349 1.0000 Uani
 CL33 0.7550(6) 0.228(1) 0.1451(7) 0.0947 1.0000 Uani
 H121 -0.0753 0.5360 0.1318 0.0216 1.0000 Uiso
 H131 -0.1775 0.5881 0.0935 0.0216 1.0000 Uiso
 H141 -0.2255 0.6707 0.1398 0.0216 1.0000 Uiso
 H151 -0.1714 0.7011 0.2245 0.0216 1.0000 Uiso
 H161 -0.0693 0.6489 0.2629 0.0216 1.0000 Uiso
 H1211 0.0181 0.4630 0.1379 0.0474 1.0000 Uiso
 H1311 0.0829 0.4878 0.0897 0.0474 1.0000 Uiso
 H1411 0.1589 0.5968 0.1127 0.0474 1.0000 Uiso
 H1511 0.1700 0.6810 0.1840 0.0474 1.0000 Uiso
 H1611 0.1051 0.6562 0.2322 0.0474 1.0000 Uiso
 H21 -0.0406 0.4117 0.2401 0.0195 1.0000 Uiso
 H22 -0.0236 0.4047 0.1896 0.0195 1.0000 Uiso
 H31 0.0864 0.3849 0.2378 0.0195 1.0000 Uiso
 H32 0.0487 0.3156 0.2585 0.0195 1.0000 Uiso
 H421 0.0694 0.2535 0.3416 0.0388 1.0000 Uiso
 H431 0.0227 0.1862 0.3944 0.0388 1.0000 Uiso
 H441 -0.0281 0.2691 0.4385 0.0388 1.0000 Uiso
 H451 -0.0322 0.4193 0.4298 0.0388 1.0000 Uiso
 H461 0.0144 0.4866 0.3770 0.0388 1.0000 Uiso
 H51 0.1830 0.4293 0.3790 0.0195 1.0000 Uiso
 H52 0.1757 0.3482 0.3425 0.0195 1.0000 Uiso
 H61 0.1935 0.5257 0.3154 0.0195 1.0000 Uiso
 H62 0.1767 0.4500 0.2746 0.0195 1.0000 Uiso
 H721 0.2576 0.4654 0.2277 0.0386 1.0000 Uiso
 H731 0.2923 0.5723 0.1848 0.0386 1.0000 Uiso
 H741 0.3613 0.6795 0.2297 0.0386 1.0000 Uiso
 H751 0.3955 0.6796 0.3177 0.0386 1.0000 Uiso
 H761 0.3607 0.5726 0.3606 0.0386 1.0000 Uiso
 H7211 0.3815 0.3631 0.4068 0.0527 1.0000 Uiso
 H7311 0.4340 0.3952 0.4915 0.0527 1.0000 Uiso
 H7411 0.3962 0.5045 0.5310 0.0527 1.0000 Uiso
 H7511 0.3060 0.5817 0.4858 0.0527 1.0000 Uiso
 H7611 0.2535 0.5496 0.4010 0.0527 1.0000 Uiso
 H10 0.1529 0.1287 0.4867 0.0671 1.0000 Uiso
 H20 0.5585 0.2762 0.3958 0.0671 1.0000 Uiso
 H30 0.7976 0.2231 0.0839 0.0671 1.0000 Uiso
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 0.0191(6) 0.0134(7) 0.0147(9) 0.0001(8) 0.0080(6) 0.0026(6)
 AU1 0.0165(6) 0.0235(8) 0.020(1) -0.0069(9) 0.0036(6) 0.0019(6)
 CL1 0.027(4) 0.024(5) 0.040(7) 0.009(4) 0.012(4) 0.012(3)
 CL2 0.032(4) 0.011(4) 0.027(5) 0.002(4) 0.006(4) -0.002(3)
 CL3 0.031(4) 0.020(5) 0.023(7) -0.015(5) 0.004(4) 0.004(4)
 P1 0.023(4) 0.023(5) 0.020(7) -0.008(5) 0.010(4) -0.013(4)
 P4 0.022(4) 0.021(5) 0.017(6) 0.003(6) 0.006(4) 0.010(4)
 P7 0.019(4) 0.032(5) 0.014(6) -0.013(6) 0.005(4) -0.001(4)
 CL11 0.11(1) 0.12(2) 0.20(3) 0.02(2) 0.08(2) -0.00(1)
 CL12 0.16(2) 0.21(3) 0.11(2) -0.07(2) 0.10(2) -0.07(2)
 CL13 0.14(2) 0.13(2) 0.10(2) 0.04(2) -0.03(1) -0.05(1)
 CL21 0.071(9) 0.10(1) 0.10(2) -0.01(1) -0.030(9) 0.020(9)
 CL22 0.12(1) 0.13(2) 0.06(1) -0.05(1) 0.05(1) -0.07(1)
 CL23 0.042(6) 0.063(8) 0.053(9) -0.010(7) 0.014(6) -0.007(5)
 CL31 0.26(3) 0.12(2) 0.13(3) -0.04(2) -0.04(2) 0.06(2)
 CL32 0.12(1) 0.15(2) 0.15(2) 0.04(2) 0.06(1) -0.01(1)
 CL33 0.068(8) 0.10(1) 0.13(2) -0.05(1) 0.05(1) -0.010(7)
_refine_ls_extinction_method
    'None'
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_site_symmetry_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
PT1 . CL1 . 2.39(1)    yes
PT1 . CL2 . 2.354(8)    yes
PT1 . P1 . 2.23(1)    yes
PT1 . P4 . 2.22(1)    yes
AU1 . CL3 . 2.296(9)    yes
AU1 . P7 . 2.20(1)    yes
P1 . C11 . 1.825(8)    yes
P1 . C111 . 1.823(9)    yes
P1 . C2 . 1.881(9)    yes
C11 . C12 . 1.39    yes
C11 . C16 . 1.39046(7    yes
C12 . C13 . 1.3911(1)    yes
C12 . H121 . 1.00(1)    no
C13 . C14 . 1.3905(2)    yes
C13 . H131 . 1.00(2)    no
C14 . C15 . 1.39132(7    yes
C14 . H141 . 0.996(9)    no
C15 . C16 . 1.39109(9    yes
C15 . H151 . 1.00(1)    no
C16 . H161 . 1.00(2)    no
C111 . C121 . 1.39099(8    yes
C111 . C161 . 1.39086(8    yes
C121 . C131 . 1.3908(2)    yes
C121 . H1211 . 1.00(2)    no
C131 . C141 . 1.3909(2)    yes
C131 . H1311 . 1.00(2)    no
C141 . C151 . 1.3910(3)    yes
C141 . H1411 . 1.00(1)    no
C151 . C161 . 1.3908(1)    yes
C151 . H1511 . 1.00(2)    no
C161 . H1611 . 1.00(2)    no
C2 . C3 . 1.608(9)    yes
C2 . H21 . 1.00(2)    no
C2 . H22 . 1.00(1)    no
C3 . P4 . 1.88(1)    yes
C3 . H31 . 1.00(2)    no
C3 . H32 . 1.00(1)    no
P4 . C41 . 1.820(9)    yes
P4 . C5 . 1.885(9)    yes
C41 . C42 . 1.39    yes
C41 . C46 . 1.39050(8    yes
C42 . C43 . 1.3903(1)    yes
C42 . H421 . 1.00(2)    no
C43 . C44 . 1.3905(3)    yes
C43 . H431 . 1.00(2)    no
C44 . C45 . 1.39077(7    yes
C44 . H441 . 1.00(1)    no
C45 . C46 . 1.3903(2)    yes
C45 . H451 . 1.00(2)    no
C46 . H461 . 1.00(2)    no
C5 . C6 . 1.61(1)    yes
C5 . H51 . 0.99(3)    no
C5 . H52 . 1.01(3)    no
C6 . P7 . 1.882(9)    yes
C6 . H61 . 0.99(3)    no
C6 . H62 . 1.01(3)    no
P7 . C71 . 1.824(9)    yes
P7 . C711 . 1.823(9)    yes
C71 . C72 . 1.39    yes
C71 . C76 . 1.39082(8    yes
C72 . C73 . 1.3911(3)    yes
C72 . H721 . 1.00(2)    no
C73 . C74 . 1.3908(1)    yes
C73 . H731 . 0.99(2)    no
C74 . C75 . 1.39    yes
C74 . H741 . 1.00(1)    no
C75 . C76 . 1.3911(1)    yes
C75 . H751 . 1.00(2)    no
C76 . H761 . 1.01(2)    no
C711 . C721 . 1.39124(8    yes
C711 . C761 . 1.39048(8    yes
C721 . C731 . 1.3911(1)    yes
C721 . H7211 . 1.00(2)    no
C731 . C741 . 1.3905(4)    yes
C731 . H7311 . 1.00(2)    no
C741 . C751 . 1.3912(3)    yes
C741 . H7411 . 1.00(1)    no
C751 . C761 . 1.39111(9    yes
C751 . H7511 . 1.00(2)    no
C761 . H7611 . 1.00(2)    no
C10 . CL11 . 1.74(1)    yes
C10 . CL12 . 1.74(1)    yes
C10 . CL13 . 1.74(1)    yes
C10 . H10 . 1.02(4)    no
C20 . CL21 . 1.75(1)    yes
C20 . CL22 . 1.75(1)    yes
C20 . CL23 . 1.75(1)    yes
C20 . H20 . 1.01(3)    no
C30 . CL31 . 1.75(1)    yes
C30 . CL32 . 1.75(1)    yes
C30 . CL33 . 1.75(1)    yes
C30 . H30 . 1.01(4)    no
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_site_symmetry_1
 _geom_angle_atom_site_label_2
 _geom_angle_site_symmetry_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
CL1 . PT1 . CL2 . 90.4(3)    yes
CL1 . PT1 . P1 . 174.5(3)    yes
CL2 . PT1 . P1 . 93.7(3)    yes
CL1 . PT1 . P4 . 89.3(3)    yes
CL2 . PT1 . P4 . 176.1(3)    yes
P1 . PT1 . P4 . 86.4(3)    yes
CL3 . AU1 . P7 . 177.2(3)    yes
PT1 . P1 . C11 . 119.6(8)    yes
PT1 . P1 . C111 . 111.3(10)    yes
C11 . P1 . C111 . 107.9(13)    yes
PT1 . P1 . C2 . 107.8(6)    yes
C11 . P1 . C2 . 102.6(9)    yes
C111 . P1 . C2 . 106.6(13)    yes
P1 . C11 . C12 . 118.0(12)    yes
P1 . C11 . C16 . 121.8(12)    yes
C12 . C11 . C16 . 119.991(3)    yes
C11 . C12 . C13 . 120.034(6)    yes
C11 . C12 . H121 . 119.8(15)    no
C13 . C12 . H121 . 120.2(15)    no
C12 . C13 . C14 . 119.974(8)    yes
C12 . C13 . H131 . 119.8(16)    no
C14 . C13 . H131 . 120.2(16)    no
C13 . C14 . C15 . 119.99(1)    yes
C13 . C14 . H141 . 120.1(17)    no
C15 . C14 . H141 . 119.9(17)    no
C14 . C15 . C16 . 120.036(8)    yes
C14 . C15 . H151 . 120.2(16)    no
C16 . C15 . H151 . 119.7(16)    no
C11 . C16 . C15 . 119.974(6)    yes
C11 . C16 . H161 . 119.8(15)    no
C15 . C16 . H161 . 120.2(15)    no
P1 . C111 . C121 . 122.5(17)    yes
P1 . C111 . C161 . 117.5(17)    yes
C121 . C111 . C161 . 120.01    yes
C111 . C121 . C131 . 120.00(1)    yes
C111 . C121 . H1211 . 120.0(22)    no
C131 . C121 . H1211 . 120.0(22)    no
C121 . C131 . C141 . 119.99(1)    yes
C121 . C131 . H1311 . 120.0(22)    no
C141 . C131 . H1311 . 120.0(22)    no
C131 . C141 . C151 . 120.01(1)    yes
C131 . C141 . H1411 . 120.0(24)    no
C151 . C141 . H1411 . 120.0(24)    no
C141 . C151 . C161 . 120.00(1)    yes
C141 . C151 . H1511 . 120.0(23)    no
C161 . C151 . H1511 . 120.0(23)    no
C111 . C161 . C151 . 119.99(1)    yes
C111 . C161 . H1611 . 120.0(22)    no
C151 . C161 . H1611 . 120.0(22)    no
P1 . C2 . C3 . 104.8(5)    yes
P1 . C2 . H21 . 110.5(14)    no
C3 . C2 . H21 . 110.8(9)    no
P1 . C2 . H22 . 110.7(11)    no
C3 . C2 . H22 . 110.7(16)    no
H21 . C2 . H22 . 109.3(12)    no
C2 . C3 . P4 . 104.8(5)    yes
C2 . C3 . H31 . 111.0(10)    no
P4 . C3 . H31 . 110.2(13)    no
C2 . C3 . H32 . 111.3(15)    no
P4 . C3 . H32 . 110.3(12)    no
H31 . C3 . H32 . 109.2(13)    no
PT1 . P4 . C3 . 109.8(5)    yes
PT1 . P4 . C41 . 116.7(9)    yes
C3 . P4 . C41 . 106.8(12)    yes
PT1 . P4 . C5 . 109.7(9)    yes
C3 . P4 . C5 . 107.0(12)    yes
C41 . P4 . C5 . 106.4(9)    yes
P4 . C41 . C42 . 122.4(15)    yes
P4 . C41 . C46 . 117.6(15)    yes
C42 . C41 . C46 . 120.014(3)    yes
C41 . C42 . C43 . 120.002(5)    yes
C41 . C42 . H421 . 119.4(20)    no
C43 . C42 . H421 . 120.6(20)    no
C42 . C43 . C44 . 119.98(2)    yes
C42 . C43 . H431 . 119.7(21)    no
C44 . C43 . H431 . 120.3(21)    no
C43 . C44 . C45 . 120.01(2)    yes
C43 . C44 . H441 . 119.9(23)    no
C45 . C44 . H441 . 120.1(22)    no
C44 . C45 . C46 . 120.00(1)    yes
C44 . C45 . H451 . 119.9(21)    no
C46 . C45 . H451 . 120.1(21)    no
C41 . C46 . C45 . 119.98(2)    yes
C41 . C46 . H461 . 120.4(21)    no
C45 . C46 . H461 . 119.7(21)    no
P4 . C5 . C6 . 104.7(5)    yes
P4 . C5 . H51 . 111.1(14)    no
C6 . C5 . H51 . 111.1(23)    no
P4 . C5 . H52 . 109.7(16)    no
C6 . C5 . H52 . 110.6(18)    no
H51 . C5 . H52 . 109.5(12)    no
C5 . C6 . P7 . 104.8(5)    yes
C5 . C6 . H61 . 111.1(23)    no
P7 . C6 . H61 . 111.2(15)    no
C5 . C6 . H62 . 110.7(18)    no
P7 . C6 . H62 . 110.1(17)    no
H61 . C6 . H62 . 108.9(12)    no
AU1 . P7 . C6 . 116.9(10)    yes
AU1 . P7 . C71 . 114.3(10)    yes
C6 . P7 . C71 . 96.2(9)    yes
AU1 . P7 . C711 . 112.1(10)    yes
C6 . P7 . C711 . 107.4(14)    yes
C71 . P7 . C711 . 108.5(14)    yes
P7 . C71 . C72 . 121.6(16)    yes
P7 . C71 . C76 . 118.4(16)    yes
C72 . C71 . C76 . 119.986(5)    yes
C71 . C72 . C73 . 120.010(5)    yes
C71 . C72 . H721 . 119.4(21)    no
C73 . C72 . H721 . 120.6(21)    no
C72 . C73 . C74 . 120.004(4)    yes
C72 . C73 . H731 . 119.6(21)    no
C74 . C73 . H731 . 120.4(21)    no
C73 . C74 . C75 . 119.987(4)    yes
C73 . C74 . H741 . 119.9(22)    no
C75 . C74 . H741 . 120.1(22)    no
C74 . C75 . C76 . 120.009(6)    yes
C74 . C75 . H751 . 119.9(21)    no
C76 . C75 . H751 . 120.0(21)    no
C71 . C76 . C75 . 120.004(5)    yes
C71 . C76 . H761 . 120.3(21)    no
C75 . C76 . H761 . 119.7(21)    no
P7 . C711 . C721 . 116.2(17)    yes
P7 . C711 . C761 . 123.6(17)    yes
C721 . C711 . C761 . 119.988(3)    yes
C711 . C721 . C731 . 120.03(1)    yes
C711 . C721 . H7211 . 120.3(23)    no
C731 . C721 . H7211 . 119.7(23)    no
C721 . C731 . C741 . 119.98(1)    yes
C721 . C731 . H7311 . 120.2(24)    no
C741 . C731 . H7311 . 119.8(24)    no
C731 . C741 . C751 . 119.99(1)    yes
C731 . C741 . H7411 . 120.2(25)    no
C751 . C741 . H7411 . 119.8(25)    no
C741 . C751 . C761 . 120.03(1)    yes
C741 . C751 . H7511 . 120.3(23)    no
C761 . C751 . H7511 . 119.6(23)    no
C711 . C761 . C751 . 119.98(1)    yes
C711 . C761 . H7611 . 119.5(23)    no
C751 . C761 . H7611 . 120.5(23)    no
CL11 . C10 . CL12 . 115.5(21)    yes
CL11 . C10 . CL13 . 109.2(16)    yes
CL12 . C10 . CL13 . 111.4(17)    yes
CL11 . C10 . H10 . 106.3(18)    no
CL12 . C10 . H10 . 103.5(17)    no
CL13 . C10 . H10 . 110.6(21)    no
CL21 . C20 . CL22 . 110.2(16)    yes
CL21 . C20 . CL23 . 108.6(11)    yes
CL22 . C20 . CL23 . 109.9(12)    yes
CL21 . C20 . H20 . 109.6(15)    no
CL22 . C20 . H20 . 108.0(14)    no
CL23 . C20 . H20 . 110.5(15)    no
CL31 . C30 . CL32 . 114.3(19)    yes
CL31 . C30 . CL33 . 110.6(21)    yes
CL32 . C30 . CL33 . 110.4(16)    yes
CL31 . C30 . H30 . 105.6(20)    no
CL32 . C30 . H30 . 106.3(20)    no
CL33 . C30 . H30 . 109.3(19)    no





# = = = = = = = = = = = = = = = = = =  = = = END

data_[Pt(triphos)Cl]Cl
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C34 H33 Cl2 P3 Pt' 
_chemical_formula_weight          800.50 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'Pt'  'Pt'  -1.7033   8.3905 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'    .1484    .1585 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'P'  'P'    .1023    .0942 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'C'  'C'    .0033    .0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'    .0000    .0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            'Monoclinic' 
_symmetry_space_group_name_H-M    'P2(1)/n No. 14' 
 
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' 
 
_cell_length_a                    10.225(2) 
_cell_length_b                    20.393(2) 
_cell_length_c                    15.775(2) 
_cell_angle_alpha                 90.00(-) 
_cell_angle_beta                  96.22(2) 
_cell_angle_gamma                 90.00(-) 
_cell_volume                      3270.0(8) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     25 
_cell_measurement_theta_min       10.37
_cell_measurement_theta_max       17.98
 
_exptl_crystal_description        prism 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.40 
_exptl_crystal_size_mid           0.25 
_exptl_crystal_size_min           0.20 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.626 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1576 
_exptl_absorpt_coefficient_mu     4.624 
_exptl_absorpt_correction_type    'DIFABS (Walter & Stuart, 1983)' 
_exptl_absorpt_correction_T_min   0.390 
_exptl_absorpt_correction_T_max   1.000 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoKa  
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'CAD4 Enraf-Nonius' 
_diffrn_measurement_method        'omega scan' 
_diffrn_standards_number          3 
_diffrn_standards_interval_count  120
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         none 
_diffrn_reflns_number             7014 
_diffrn_reflns_av_R_equivalents   0.0285 
_diffrn_reflns_av_sigmaI/netI     0.0593 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        12 
_diffrn_reflns_limit_k_min        -25 
_diffrn_reflns_limit_k_max        0 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          2.60 
_diffrn_reflns_theta_max          26.30 
_reflns_number_total              6638 
_reflns_number_observed           4633 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        'CAD4-Express Software (Enraf-Nonius, 1994)' 
_computing_cell_refinement        'CAD4-Express Software (Enraf-Nonius, 1994)' 
_computing_data_reduction         'HELENA (Spek, 1993)' 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'ZORTEP (Zsolnai, 1994)' 
_computing_publication_material   'SHELXL-93 (Sheldrick, 1993)' 
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[s^2^(Fo^2^)+( 0.0459P)^2^+11.1278P] 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     noref 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00000(10) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc^2^l^3^/sin(2q)]^-1/4^' 
_refine_ls_number_reflns          6638 
_refine_ls_number_parameters      372 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0813 
_refine_ls_R_factor_obs           0.0361 
_refine_ls_wR_factor_all          0.1056 
_refine_ls_wR_factor_obs          0.0899 
_refine_ls_goodness_of_fit_all    1.035 
_refine_ls_goodness_of_fit_obs    1.067 
_refine_ls_restrained_S_all       1.035 
_refine_ls_restrained_S_obs       1.067 
_refine_ls_shift/esd_max          -1.650 
_refine_ls_shift/esd_mean         0.004 
 
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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Pt Pt 0.24580(2) 0.134503(13) 0.18595(2) 0.03261(10) Uani 1 d . . 
Cl1 Cl 0.3318(2) 0.15413(11) 0.05613(12) 0.0510(5) Uani 1 d . . 
Cl21 Cl -0.0201(3) 0.07793(13) 0.6276(2) 0.0492(9) Uani 0.717(5) d P . 
Cl22 Cl 0.8231(7) 0.0247(4) 0.4528(4) 0.056(2) Uani 0.283(5) d P . 
P1 P 0.4406(2) 0.10369(9) 0.26438(11) 0.0353(4) Uani 1 d . . 
P2 P 0.1558(2) 0.11222(9) 0.30369(12) 0.0370(4) Uani 1 d . . 
P3 P 0.0349(2) 0.16323(9) 0.13086(12) 0.0346(4) Uani 1 d . . 
C1 C 0.3979(7) 0.0752(4) 0.3686(4) 0.045(2) Uani 1 d . . 
H1A H 0.4568(7) 0.0400(4) 0.3891(4) 0.055 Uiso 1 calc R . 
H1B H 0.4092(7) 0.1109(4) 0.4094(4) 0.055 Uiso 1 calc R . 
C2 C 0.2557(7) 0.0508(4) 0.3622(5) 0.048(2) Uani 1 d . . 
H2A H 0.2280(7) 0.0450(4) 0.4186(5) 0.058 Uiso 1 calc R . 
H2B H 0.2476(7) 0.0091(4) 0.3325(5) 0.058 Uiso 1 calc R . 
C3 C -0.0138(7) 0.0885(4) 0.2725(5) 0.043(2) Uani 1 d . . 
H3A H -0.0176(7) 0.0466(4) 0.2433(5) 0.051 Uiso 1 calc R . 
H3B H -0.0617(7) 0.0850(4) 0.3222(5) 0.051 Uiso 1 calc R . 
C4 C -0.0731(7) 0.1429(4) 0.2125(5) 0.044(2) Uani 1 d . . 
H4A H -0.0873(7) 0.1818(4) 0.2456(5) 0.052 Uiso 1 calc R . 
H4B H -0.1577(7) 0.1286(4) 0.1850(5) 0.052 Uiso 1 calc R . 
C11 C 0.4887(9) 0.0116(4) 0.1416(6) 0.061(2) Uani 1 d . . 
H11 H 0.4094(9) 0.0259(4) 0.1131(6) 0.073 Uiso 1 calc R . 
C12 C 0.5594(11) -0.0361(5) 0.1047(6) 0.075(3) Uani 1 d . . 
H12 H 0.5286(11) -0.0535(5) 0.0518(6) 0.090 Uiso 1 calc R . 
C13 C 0.6756(9) -0.0576(4) 0.1468(6) 0.059(2) Uani 1 d . . 
H13 H 0.7237(9) -0.0895(4) 0.1217(6) 0.071 Uiso 1 calc R . 
C14 C 0.7229(8) -0.0328(4) 0.2255(6) 0.052(2) Uani 1 d . . 
H14 H 0.8016(8) -0.0481(4) 0.2537(6) 0.063 Uiso 1 calc R . 
C15 C 0.6507(7) 0.0156(4) 0.2621(5) 0.047(2) Uani 1 d . . 
H15 H 0.6810(7) 0.0329(4) 0.3151(5) 0.057 Uiso 1 calc R . 
C16 C 0.5320(7) 0.0381(3) 0.2185(5) 0.038(2) Uani 1 d . . 
C21 C 0.6492(8) 0.1646(5) 0.3632(5) 0.055(2) Uani 1 d . . 
H21 H 0.6493(8) 0.1286(5) 0.3993(5) 0.066 Uiso 1 calc R . 
C22 C 0.7381(9) 0.2148(5) 0.3805(6) 0.068(3) Uani 1 d . . 
H22 H 0.7979(9) 0.2128(5) 0.4292(6) 0.082 Uiso 1 calc R . 
C23 C 0.7401(9) 0.2683(5) 0.3264(7) 0.069(3) Uani 1 d . . 
H23 H 0.8031(9) 0.3010(5) 0.3372(7) 0.082 Uiso 1 calc R . 
C24 C 0.6504(10) 0.2722(4) 0.2589(6) 0.065(3) Uani 1 d . . 
H24 H 0.6493(10) 0.3092(4) 0.2242(6) 0.078 Uiso 1 calc R . 
C25 C 0.5586(8) 0.2232(4) 0.2384(5) 0.049(2) Uani 1 d . . 
H25 H 0.4977(8) 0.2268(4) 0.1904(5) 0.059 Uiso 1 calc R . 
C26 C 0.5589(7) 0.1690(4) 0.2903(5) 0.039(2) Uani 1 d . . 
C31 C 0.1827(8) 0.2439(4) 0.3509(6) 0.057(2) Uani 1 d . . 
H31 H 0.2215(8) 0.2499(4) 0.3008(6) 0.069 Uiso 1 calc R . 
C32 C 0.1640(10) 0.2969(5) 0.4024(7) 0.076(3) Uani 1 d . . 
H32 H 0.1889(10) 0.3387(5) 0.3869(7) 0.091 Uiso 1 calc R . 
C33 C 0.1076(9) 0.2873(5) 0.4778(7) 0.075(3) Uani 1 d . . 
H33 H 0.0949(9) 0.3229(5) 0.5128(7) 0.090 Uiso 1 calc R . 
C34 C 0.0709(8) 0.2260(5) 0.5009(6) 0.060(2) Uani 1 d . . 
H34 H 0.0340(8) 0.2200(5) 0.5517(6) 0.072 Uiso 1 calc R . 
C35 C 0.0884(8) 0.1729(5) 0.4488(5) 0.053(2) Uani 1 d . . 
H35 H 0.0630(8) 0.1313(5) 0.4645(5) 0.063 Uiso 1 calc R . 
C36 C 0.1440(7) 0.1818(4) 0.3733(5) 0.043(2) Uani 1 d . . 
C41 C 0.0026(8) 0.1432(4) -0.0443(5) 0.054(2) Uani 1 d . . 
H41 H 0.0552(8) 0.1801(4) -0.0473(5) 0.065 Uiso 1 calc R . 
C42 C -0.0408(9) 0.1096(5) -0.1170(6) 0.066(3) Uani 1 d . . 
H42 H -0.0167(9) 0.1238(5) -0.1691(6) 0.080 Uiso 1 calc R . 
C43 C -0.1196(9) 0.0551(5) -0.1139(6) 0.068(3) Uani 1 d . . 
H43 H -0.1485(9) 0.0323(5) -0.1635(6) 0.081 Uiso 1 calc R . 
C44 C -0.1544(9) 0.0351(4) -0.0373(7) 0.067(3) Uani 1 d . . 
H44 H -0.2093(9) -0.0011(4) -0.0352(7) 0.081 Uiso 1 calc R . 
C45 C -0.1107(8) 0.0670(4) 0.0374(5) 0.051(2) Uani 1 d . . 
H45 H -0.1336(8) 0.0518(4) 0.0894(5) 0.061 Uiso 1 calc R . 
C46 C -0.0319(7) 0.1222(3) 0.0340(5) 0.041(2) Uani 1 d . . 
C51 C -0.1057(8) 0.2798(4) 0.1059(5) 0.055(2) Uani 1 d . . 
H51 H -0.1804(8) 0.2538(4) 0.1064(5) 0.066 Uiso 1 calc R . 
C52 C -0.1201(10) 0.3464(4) 0.0984(7) 0.069(3) Uani 1 d . . 
H52 H -0.2035(10) 0.3650(4) 0.0939(7) 0.083 Uiso 1 calc R . 
C53 C -0.0138(12) 0.3847(5) 0.0975(7) 0.078(3) Uani 1 d . . 
H53 H -0.0238(12) 0.4300(5) 0.0928(7) 0.094 Uiso 1 calc R . 
C54 C 0.1097(11) 0.3577(4) 0.1035(7) 0.078(3) Uani 1 d . . 
H54 H 0.1828(11) 0.3846(4) 0.1018(7) 0.094 Uiso 1 calc R . 
C55 C 0.1260(9) 0.2908(4) 0.1121(6) 0.062(2) Uani 1 d . . 
H55 H 0.2099(9) 0.2727(4) 0.1174(6) 0.074 Uiso 1 calc R . 
C56 C 0.0159(7) 0.2504(3) 0.1127(4) 0.039(2) Uani 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 
Pt 0.03229(14) 0.03244(15) 0.03317(15) 0.00180(13) 0.00379(9) -0.00021(13) 
Cl1 0.0502(11) 0.0646(13) 0.0401(10) 0.0060(9) 0.0142(8) 0.0041(9) 
Cl21 0.054(2) 0.044(2) 0.046(2) 0.0048(12) -0.0123(12) -0.0102(12) 
Cl22 0.066(5) 0.068(5) 0.031(4) 0.009(3) -0.013(3) 0.003(4) 
P1 0.0372(9) 0.0328(10) 0.0353(10) 0.0001(8) 0.0007(7) 0.0016(8) 
P2 0.0382(10) 0.0369(10) 0.0365(10) 0.0025(8) 0.0069(8) -0.0031(8) 
P3 0.0324(9) 0.0306(9) 0.0403(10) 0.0003(8) 0.0022(8) -0.0009(8) 
C1 0.049(4) 0.051(5) 0.036(4) 0.009(4) 0.000(3) 0.009(4) 
C2 0.054(5) 0.042(5) 0.050(5) 0.010(4) 0.012(4) -0.004(4) 
C3 0.041(4) 0.039(4) 0.049(4) 0.000(4) 0.010(3) -0.012(3) 
C4 0.039(4) 0.045(5) 0.048(4) 0.003(4) 0.008(3) 0.001(3) 
C11 0.054(5) 0.061(6) 0.064(6) -0.018(5) -0.016(4) 0.018(4) 
C12 0.100(8) 0.053(6) 0.068(6) -0.025(5) -0.010(6) 0.019(6) 
C13 0.068(6) 0.037(5) 0.073(6) -0.008(4) 0.013(5) 0.014(4) 
C14 0.047(5) 0.039(5) 0.069(6) 0.003(4) -0.001(4) 0.012(4) 
C15 0.047(4) 0.045(5) 0.049(5) -0.007(4) 0.002(4) 0.002(4) 
C16 0.042(4) 0.032(4) 0.041(4) -0.002(3) 0.000(3) 0.004(3) 
C21 0.054(5) 0.056(5) 0.053(5) -0.007(4) -0.007(4) 0.002(4) 
C22 0.048(5) 0.075(7) 0.079(7) -0.044(6) -0.010(5) 0.003(5) 
C23 0.058(6) 0.043(5) 0.106(9) -0.035(6) 0.019(6) -0.018(5) 
C24 0.080(7) 0.041(5) 0.077(7) -0.008(5) 0.024(6) -0.011(5) 
C25 0.058(5) 0.038(5) 0.050(5) -0.005(4) 0.006(4) -0.005(4) 
C26 0.035(4) 0.033(4) 0.048(4) -0.006(3) 0.004(3) 0.000(3) 
C31 0.056(5) 0.051(5) 0.068(6) -0.010(4) 0.020(4) -0.007(4) 
C32 0.078(7) 0.046(6) 0.107(8) -0.025(6) 0.030(6) -0.014(5) 
C33 0.050(5) 0.079(7) 0.097(8) -0.051(6) 0.011(5) 0.001(5) 
C34 0.048(5) 0.080(7) 0.055(5) -0.026(5) 0.010(4) 0.004(5) 
C35 0.051(5) 0.061(6) 0.047(5) -0.003(4) 0.011(4) 0.000(4) 
C36 0.041(4) 0.044(4) 0.043(4) -0.009(4) 0.008(3) -0.004(3) 
C41 0.045(4) 0.059(6) 0.057(5) -0.012(4) 0.004(4) -0.007(4) 
C42 0.061(6) 0.089(7) 0.049(5) -0.011(5) 0.003(4) 0.002(5) 
C43 0.066(6) 0.072(7) 0.061(6) -0.035(5) -0.015(5) 0.014(5) 
C44 0.064(6) 0.045(5) 0.086(7) -0.014(5) -0.018(5) -0.004(4) 
C45 0.055(5) 0.036(4) 0.057(5) 0.000(4) -0.006(4) -0.006(4) 
C46 0.037(4) 0.035(4) 0.048(4) -0.005(3) -0.004(3) 0.003(3) 
C51 0.052(5) 0.045(5) 0.063(6) 0.001(4) -0.009(4) 0.004(4) 
C52 0.072(6) 0.045(5) 0.089(7) 0.005(5) -0.003(5) 0.019(5) 
C53 0.108(9) 0.031(5) 0.096(8) 0.000(5) 0.014(7) 0.001(6) 
C54 0.086(8) 0.038(6) 0.113(9) -0.008(5) 0.018(6) -0.021(5) 
C55 0.056(5) 0.040(5) 0.090(7) -0.007(5) 0.017(5) -0.011(4) 
C56 0.047(4) 0.029(4) 0.038(4) -0.006(3) -0.002(3) 0.000(3) 
 
_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 
Pt P2 2.208(2) . y 
Pt P3 2.312(2) . y 
Pt P1 2.315(2) . y 
Pt Cl1 2.349(2) . y 
Pt Pt 9.1318(14) 3 ? 
Pt Pt 9.9067(14) 3_655 y 
Pt Pt 10.090(2) 2 y 
Pt Pt 10.3934(10) 4_666 y 
P1 C26 1.816(7) . y 
P1 C16 1.826(7) . y 
P1 C1 1.841(7) . y 
P2 C2 1.806(8) . y 
P2 C36 1.806(7) . y 
P2 C3 1.817(7) . y 
P3 C56 1.807(7) . y 
P3 C46 1.809(7) . y 
P3 C4 1.832(7) . y 
C1 C2 1.530(10) . y 
C3 C4 1.540(10) . y 
C11 C16 1.358(10) . ? 
C11 C12 1.378(11) . ? 
C12 C13 1.368(13) . ? 
C13 C14 1.378(12) . ? 
C14 C15 1.394(10) . ? 
C15 C16 1.406(10) . ? 
C21 C22 1.376(12) . ? 
C21 C26 1.397(10) . ? 
C22 C23 1.387(14) . ? 
C23 C24 1.330(13) . ? 
C24 C25 1.387(11) . ? 
C25 C26 1.374(10) . ? 
C31 C32 1.378(12) . ? 
C31 C36 1.383(11) . ? 
C32 C33 1.391(13) . ? 
C33 C34 1.365(14) . ? 
C34 C35 1.383(11) . ? 
C35 C36 1.386(10) . ? 
C41 C42 1.368(12) . ? 
C41 C46 1.388(11) . ? 
C42 C43 1.377(14) . ? 
C43 C44 1.359(13) . ? 
C44 C45 1.378(11) . ? 
C45 C46 1.389(10) . ? 
C51 C52 1.371(11) . ? 
C51 C56 1.375(10) . ? 
C52 C53 1.340(14) . ? 
C53 C54 1.372(14) . ? 
C54 C55 1.378(12) . ? 
C55 C56 1.396(10) . ? 
 
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 
P2 Pt P3 84.92(7) . . y 
P2 Pt P1 84.69(7) . . y 
P3 Pt P1 169.54(6) . . y 
P2 Pt Cl1 176.52(7) . . y 
P3 Pt Cl1 92.94(7) . . y 
P1 Pt Cl1 97.50(7) . . y 
P2 Pt Pt 99.57(5) . 3 ? 
P3 Pt Pt 58.97(5) . 3 ? 
P1 Pt Pt 124.21(5) . 3 ? 
Cl1 Pt Pt 76.96(5) . 3 ? 
P2 Pt Pt 132.65(5) . 3_655 ? 
P3 Pt Pt 116.47(5) . 3_655 ? 
P1 Pt Pt 71.93(5) . 3_655 ? 
Cl1 Pt Pt 46.22(5) . 3_655 ? 
Pt Pt Pt 64.819(11) 3 3_655 ? 
P2 Pt Pt 70.15(5) . 2 ? 
P3 Pt Pt 123.27(5) . 2 ? 
P1 Pt Pt 51.33(5) . 2 ? 
Cl1 Pt Pt 113.34(5) . 2 ? 
Pt Pt Pt 168.442(5) 3 2 ? 
Pt Pt Pt 117.873(11) 3_655 2 ? 
P2 Pt Pt 91.93(5) . 4_666 ? 
P3 Pt Pt 79.17(5) . 4_666 ? 
P1 Pt Pt 100.01(5) . 4_666 ? 
Cl1 Pt Pt 90.36(5) . 4_666 ? 
Pt Pt Pt 134.963(8) 3 4_666 ? 
Pt Pt Pt 131.651(7) 3_655 4_666 ? 
Pt Pt Pt 52.926(5) 2 4_666 ? 
C26 P1 C16 105.7(3) . . y 
C26 P1 C1 104.3(4) . . y 
C16 P1 C1 107.7(4) . . y 
C26 P1 Pt 115.8(2) . . y 
C16 P1 Pt 115.8(2) . . y 
C1 P1 Pt 106.8(2) . . y 
C2 P2 C36 107.8(4) . . y 
C2 P2 C3 115.1(4) . . y 
C36 P2 C3 104.4(3) . . y 
C2 P2 Pt 108.0(3) . . y 
C36 P2 Pt 114.3(3) . . y 
C3 P2 Pt 107.4(2) . . y 
C56 P3 C46 107.3(3) . . y 
C56 P3 C4 105.7(3) . . y 
C46 P3 C4 106.7(4) . . y 
C56 P3 Pt 112.9(2) . . y 
C46 P3 Pt 116.8(2) . . y 
C4 P3 Pt 106.7(2) . . y 
C2 C1 P1 111.1(5) . . y 
C1 C2 P2 106.8(5) . . y 
C4 C3 P2 105.9(5) . . y 
C3 C4 P3 111.6(5) . . y 
C16 C11 C12 121.5(8) . . ? 
C13 C12 C11 119.3(9) . . ? 
C12 C13 C14 121.4(8) . . ? 
C13 C14 C15 118.9(7) . . ? 
C14 C15 C16 119.8(7) . . ? 
C11 C16 C15 119.2(7) . . ? 
C11 C16 P1 121.0(6) . . y 
C15 C16 P1 119.8(5) . . y 
C22 C21 C26 118.6(9) . . ? 
C21 C22 C23 121.1(9) . . ? 
C24 C23 C22 119.0(8) . . ? 
C23 C24 C25 122.3(9) . . ? 
C26 C25 C24 118.9(8) . . ? 
C25 C26 C21 120.0(7) . . ? 
C25 C26 P1 119.8(6) . . y 
C21 C26 P1 120.2(6) . . y 
C32 C31 C36 120.3(8) . . ? 
C31 C32 C33 119.4(9) . . ? 
C34 C33 C32 120.6(8) . . ? 
C33 C34 C35 120.1(9) . . ? 
C34 C35 C36 120.0(8) . . ? 
C31 C36 C35 119.6(7) . . ? 
C31 C36 P2 121.6(6) . . y 
C35 C36 P2 118.7(6) . . y 
C42 C41 C46 120.1(8) . . ? 
C41 C42 C43 120.9(9) . . ? 
C44 C43 C42 118.9(8) . . ? 
C43 C44 C45 121.8(9) . . ? 
C44 C45 C46 119.1(8) . . ? 
C41 C46 C45 119.2(7) . . ? 
C41 C46 P3 120.0(6) . . y 
C45 C46 P3 120.7(6) . . y 
C52 C51 C56 121.8(8) . . ? 
C53 C52 C51 120.0(9) . . ? 
C52 C53 C54 120.4(9) . . ? 
C53 C54 C55 120.3(9) . . ? 
C54 C55 C56 119.8(9) . . ? 
C51 C56 C55 117.7(7) . . ? 
C51 C56 P3 121.5(6) . . y 
C55 C56 P3 120.6(6) . . y 
 
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
 P2 Pt P1 C26 -111.6(3) . . . . ? 
 P3 Pt P1 C26 -105.1(4) . . . . ? 
 Cl1 Pt P1 C26 71.1(3) . . . . ? 
 P2 Pt P1 C16 123.9(3) . . . . ? 
 P3 Pt P1 C16 130.4(4) . . . . ? 
 Cl1 Pt P1 C16 -53.3(3) . . . . ? 
 P2 Pt P1 C1 4.1(3) . . . . ? 
 P3 Pt P1 C1 10.5(5) . . . . ? 
 Cl1 Pt P1 C1 -173.2(3) . . . . ? 
 P3 Pt P2 C2 153.5(3) . . . . ? 
 P1 Pt P2 C2 -27.6(3) . . . . ? 
 Cl1 Pt P2 C2 101.3(12) . . . . ? 
 P3 Pt P2 C36 -86.5(3) . . . . ? 
 P1 Pt P2 C36 92.3(3) . . . . ? 
 Cl1 Pt P2 C36 -138.8(12) . . . . ? 
 P3 Pt P2 C3 28.8(3) . . . . ? 
 P1 Pt P2 C3 -152.3(3) . . . . ? 
 Cl1 Pt P2 C3 -23.4(13) . . . . ? 
 P2 Pt P3 C56 110.6(3) . . . . ? 
 P1 Pt P3 C56 104.1(4) . . . . ? 
 Cl1 Pt P3 C56 -72.2(3) . . . . ? 
 P2 Pt P3 C46 -124.4(3) . . . . ? 
 P1 Pt P3 C46 -130.8(4) . . . . ? 
 Cl1 Pt P3 C46 52.9(3) . . . . ? 
 P2 Pt P3 C4 -5.1(3) . . . . ? 
 P1 Pt P3 C4 -11.6(5) . . . . ? 
 Cl1 Pt P3 C4 172.1(3) . . . . ? 
 C26 P1 C1 C2 148.4(5) . . . . ? 
 C16 P1 C1 C2 -99.6(6) . . . . ? 
 Pt P1 C1 C2 25.3(6) . . . . ? 
 P1 C1 C2 P2 -47.5(7) . . . . ? 
 C36 P2 C2 C1 -73.5(6) . . . . ? 
 C3 P2 C2 C1 170.4(5) . . . . ? 
 Pt P2 C2 C1 50.5(6) . . . . ? 
 C2 P2 C3 C4 -171.4(5) . . . . ? 
 C36 P2 C3 C4 70.6(6) . . . . ? 
 Pt P2 C3 C4 -51.1(5) . . . . ? 
 P2 C3 C4 P3 47.7(6) . . . . ? 
 C56 P3 C4 C3 -145.2(5) . . . . ? 
 C46 P3 C4 C3 100.8(6) . . . . ? 
 Pt P3 C4 C3 -24.8(6) . . . . ? 
 C16 C11 C12 C13 0.4(16) . . . . ? 
 C11 C12 C13 C14 0.4(15) . . . . ? 
 C12 C13 C14 C15 -0.6(14) . . . . ? 
 C13 C14 C15 C16 0.1(12) . . . . ? 
 C12 C11 C16 C15 -1.0(14) . . . . ? 
 C12 C11 C16 P1 177.3(8) . . . . ? 
 C14 C15 C16 C11 0.7(12) . . . . ? 
 C14 C15 C16 P1 -177.6(6) . . . . ? 
 C26 P1 C16 C11 -127.2(7) . . . . ? 
 C1 P1 C16 C11 121.8(7) . . . . ? 
 Pt P1 C16 C11 2.4(8) . . . . ? 
 C26 P1 C16 C15 51.1(7) . . . . ? 
 C1 P1 C16 C15 -59.9(7) . . . . ? 
 Pt P1 C16 C15 -179.3(5) . . . . ? 
 C26 C21 C22 C23 -0.9(13) . . . . ? 
 C21 C22 C23 C24 3.0(14) . . . . ? 
 C22 C23 C24 C25 -3.0(14) . . . . ? 
 C23 C24 C25 C26 0.9(13) . . . . ? 
 C24 C25 C26 C21 1.2(11) . . . . ? 
 C24 C25 C26 P1 -179.4(6) . . . . ? 
 C22 C21 C26 C25 -1.2(12) . . . . ? 
 C22 C21 C26 P1 179.5(6) . . . . ? 
 C16 P1 C26 C25 103.0(6) . . . . ? 
 C1 P1 C26 C25 -143.6(6) . . . . ? 
 Pt P1 C26 C25 -26.6(7) . . . . ? 
 C16 P1 C26 C21 -77.7(7) . . . . ? 
 C1 P1 C26 C21 35.7(7) . . . . ? 
 Pt P1 C26 C21 152.8(5) . . . . ? 
 C36 C31 C32 C33 0.9(15) . . . . ? 
 C31 C32 C33 C34 0.0(15) . . . . ? 
 C32 C33 C34 C35 -0.6(14) . . . . ? 
 C33 C34 C35 C36 0.3(13) . . . . ? 
 C32 C31 C36 C35 -1.2(13) . . . . ? 
 C32 C31 C36 P2 175.4(7) . . . . ? 
 C34 C35 C36 C31 0.6(12) . . . . ? 
 C34 C35 C36 P2 -176.1(6) . . . . ? 
 C2 P2 C36 C31 123.2(7) . . . . ? 
 C3 P2 C36 C31 -114.0(7) . . . . ? 
 Pt P2 C36 C31 3.1(8) . . . . ? 
 C2 P2 C36 C35 -60.2(7) . . . . ? 
 C3 P2 C36 C35 62.7(7) . . . . ? 
 Pt P2 C36 C35 179.8(5) . . . . ? 
 C46 C41 C42 C43 0.5(14) . . . . ? 
 C41 C42 C43 C44 0.3(15) . . . . ? 
 C42 C43 C44 C45 -1.4(14) . . . . ? 
 C43 C44 C45 C46 1.8(13) . . . . ? 
 C42 C41 C46 C45 -0.1(12) . . . . ? 
 C42 C41 C46 P3 175.7(7) . . . . ? 
 C44 C45 C46 C41 -1.0(12) . . . . ? 
 C44 C45 C46 P3 -176.8(6) . . . . ? 
 C56 P3 C46 C41 47.5(7) . . . . ? 
 C4 P3 C46 C41 160.4(6) . . . . ? 
 Pt P3 C46 C41 -80.3(6) . . . . ? 
 C56 P3 C46 C45 -136.8(6) . . . . ? 
 C4 P3 C46 C45 -23.9(7) . . . . ? 
 Pt P3 C46 C45 95.4(6) . . . . ? 
 C56 C51 C52 C53 0.0(15) . . . . ? 
 C51 C52 C53 C54 0.5(17) . . . . ? 
 C52 C53 C54 C55 -1.2(18) . . . . ? 
 C53 C54 C55 C56 1.4(16) . . . . ? 
 C52 C51 C56 C55 0.2(13) . . . . ? 
 C52 C51 C56 P3 175.2(7) . . . . ? 
 C54 C55 C56 C51 -0.9(13) . . . . ? 
 C54 C55 C56 P3 -175.9(8) . . . . ? 
 C46 P3 C56 C51 70.3(7) . . . . ? 
 C4 P3 C56 C51 -43.4(7) . . . . ? 
 Pt P3 C56 C51 -159.6(6) . . . . ? 
 C46 P3 C56 C55 -114.9(7) . . . . ? 
 C4 P3 C56 C55 131.4(7) . . . . ? 
 Pt P3 C56 C55 15.2(7) . . . . ? 
 
_refine_diff_density_max    1.164 
_refine_diff_density_min    -.496 
_refine_diff_density_rms     .139