Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2006 data_global _journal_coden_Cambridge 222 loop_ _publ_author_name 'Sergey Tunik' 'Matti Haukka' 'Igor O. Koshevoy' 'Tapani Pakkanen' _publ_contact_author_name 'Sergey Tunik' _publ_contact_author_address ; Department of Chemistry St. Petersburg State University Universitetskii pr., 26 St. Petersburg 198504 RUSSIAN FEDERATION ; _publ_contact_author_email STUNIK@CHEM.SPBU.RU _publ_requested_journal 'Dalton Transactions' _publ_section_title ; Synthesis of nonanuclear heterometallic carbide clusters. Unexpected formation of [Ru6(CO)16]2-[Pt2(CO)2(dppm)2]2+ ion pair on the way to [Ru6C(CO)16Pt3(dppm)2]. ; data_Struct_1 _database_code_depnum_ccdc_archive 'CCDC 612892' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C52 H44 O2 P4 Pt2, C17 O16 Ru6, 2(C3 H6 O)' _chemical_formula_sum 'C75 H56 O20 P4 Pt2 Ru6' _chemical_formula_weight 2397.68 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' Ru Ru -1.2594 0.8363 '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' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 13.2584(2) _cell_length_b 15.6025(4) _cell_length_c 37.2660(10) _cell_angle_alpha 88.1710(10) _cell_angle_beta 87.830(2) _cell_angle_gamma 83.907(2) _cell_volume 7656.9(3) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 22997 _cell_measurement_theta_min 1.64 _cell_measurement_theta_max 25.05 _exptl_crystal_description plate _exptl_crystal_colour orange _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.080 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4584 _exptl_absorpt_coefficient_mu 4.943 _exptl_absorpt_correction_type Analytical _exptl_absorpt_correction_T_min 0.5550 _exptl_absorpt_correction_T_max 0.8115 _exptl_absorpt_process_details 'de Meulenaer & Tompa (1965)' _publ_section_exptl_refinement ; The measured crystal of the title compound was diffracting only weakly. Larger crystals were twinned and gave less satisfactory results. The asymmetric unit contains two Pt and two Ru moieties. The asymmetric refinement of C12, C13, C18 C2B, C37, C45, C58, C73, C90, and C151 were restrained with ISOR 0.008-0.01. Hydrogens were positioned geometrically and were also constrained to ride on their parent atoms, with C---H =0.95-0.99 \%A, and U~iso~ = 1.2-1.5 U~eq~(parent atom). ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator 'horizontally mounted graphite crystal' _diffrn_measurement_device_type 'Nonius KappaCCD' _diffrn_measurement_device '95mm CCD camera on \k-goniostat' _diffrn_detector_area_resol_mean 9 _diffrn_measurement_method '\f scans and \w scans with \k offset' _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 49759 _diffrn_reflns_av_R_equivalents 0.0598 _diffrn_reflns_av_sigmaI/netI 0.0932 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -44 _diffrn_reflns_limit_l_max 44 _diffrn_reflns_theta_min 1.64 _diffrn_reflns_theta_max 25.00 _reflns_number_total 22943 _reflns_number_gt 16703 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect (Nonius BV, 1997-2000)' _computing_cell_refinement 'Denzo/Scalepack (Otwinowski & Minor, 1997)' _computing_data_reduction 'Denzo/Scalepack (Otwinowski & Minor, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Diamond v.3.1b (Crystal Impact GbR, 2006)' _computing_publication_material 'SHELXH-97 (Sheldrick, 1997)' _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^)+(0.0197P)^2^+49.8174P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 22943 _refine_ls_number_parameters 1935 _refine_ls_number_restraints 60 _refine_ls_R_factor_all 0.0877 _refine_ls_R_factor_gt 0.0518 _refine_ls_wR_factor_ref 0.0983 _refine_ls_wR_factor_gt 0.0896 _refine_ls_goodness_of_fit_ref 1.109 _refine_ls_restrained_S_all 1.108 _refine_ls_shift/su_max 0.002 _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 Pt1 Pt 0.72041(3) 0.49149(3) 0.673957(12) 0.01441(11) Uani 1 1 d . . . Pt2 Pt 0.67393(3) 0.45800(3) 0.607941(12) 0.01493(11) Uani 1 1 d . . . Pt1B Pt 0.20518(3) 0.23334(3) 0.160536(12) 0.01340(11) Uani 1 1 d . . . Pt2B Pt 0.10421(3) 0.15603(3) 0.113232(12) 0.01447(11) Uani 1 1 d . . . Ru1 Ru 0.48817(7) 0.23495(6) 0.89942(3) 0.0190(2) Uani 1 1 d . . . Ru2 Ru 0.45473(7) 0.41883(6) 0.89973(3) 0.0200(2) Uani 1 1 d . . . Ru3 Ru 0.32749(7) 0.32266(6) 0.94439(3) 0.0207(2) Uani 1 1 d . . . Ru4 Ru 0.28251(7) 0.22155(6) 0.88401(3) 0.0200(2) Uani 1 1 d . . . Ru5 Ru 0.39837(7) 0.33087(6) 0.83694(3) 0.0191(2) Uani 1 1 d . . . Ru6 Ru 0.24732(7) 0.41663(6) 0.88213(3) 0.0200(2) Uani 1 1 d . . . Ru6B Ru 0.81233(6) 1.10993(5) 0.39168(3) 0.0157(2) Uani 1 1 d . . . Ru2B Ru 0.86646(6) 0.93723(6) 0.42495(3) 0.0174(2) Uani 1 1 d . . . Ru3B Ru 0.65972(6) 1.02035(6) 0.42541(2) 0.0158(2) Uani 1 1 d . . . Ru4B Ru 0.67164(6) 1.02716(5) 0.34729(2) 0.0146(2) Uani 1 1 d . . . Ru5B Ru 0.88308(6) 0.96959(6) 0.34812(2) 0.0154(2) Uani 1 1 d . . . Ru1B Ru 0.72923(6) 0.86498(5) 0.38046(3) 0.0157(2) Uani 1 1 d . . . P1 P 0.8172(2) 0.35775(18) 0.67633(8) 0.0148(7) Uani 1 1 d . . . P2 P 0.6188(2) 0.62162(17) 0.66960(8) 0.0140(7) Uani 1 1 d . . . P3 P 0.8444(2) 0.41065(18) 0.60127(8) 0.0160(7) Uani 1 1 d . . . P4 P 0.5110(2) 0.51613(18) 0.62356(8) 0.0154(7) Uani 1 1 d . . . P2B P 0.3366(2) 0.12359(18) 0.15404(8) 0.0157(7) Uani 1 1 d . . . P1B P 0.0708(2) 0.34198(18) 0.16542(8) 0.0144(7) Uani 1 1 d . . . P4B P 0.1613(2) 0.02956(18) 0.14306(8) 0.0166(7) Uani 1 1 d . . . P3B P 0.0585(2) 0.29236(18) 0.09057(8) 0.0158(7) Uani 1 1 d . . . O1 O 0.6530(6) 0.1861(5) 0.8432(2) 0.033(2) Uani 1 1 d . . . O2 O 0.5978(6) 0.1421(5) 0.9620(2) 0.038(2) Uani 1 1 d . . . O3 O 0.6641(6) 0.3471(5) 0.9242(2) 0.030(2) Uani 1 1 d . . . O4 O 0.4236(6) 0.0560(5) 0.8853(2) 0.035(2) Uani 1 1 d . . . O5 O 0.5301(6) 0.5602(5) 0.8503(2) 0.035(2) Uani 1 1 d . . . O6 O 0.4178(6) 0.5501(6) 0.9581(3) 0.050(3) Uani 1 1 d . . . O7 O 0.4912(6) 0.3227(5) 0.9990(2) 0.039(2) Uani 1 1 d . . . O8 O 0.2055(6) 0.2093(5) 0.9931(2) 0.036(2) Uani 1 1 d . . . O9 O 0.1760(6) 0.4742(5) 0.9678(3) 0.044(3) Uani 1 1 d . . . O10 O 0.1341(6) 0.1247(6) 0.9281(2) 0.040(2) Uani 1 1 d . . . O11 O 0.1887(7) 0.1561(6) 0.8191(3) 0.046(3) Uani 1 1 d . . . O12 O 0.3804(6) 0.2095(5) 0.7765(2) 0.038(2) Uani 1 1 d . . . O13 O 0.5613(6) 0.4108(5) 0.7920(2) 0.031(2) Uani 1 1 d . . . O14 O 0.2495(6) 0.6103(5) 0.8804(3) 0.044(3) Uani 1 1 d . . . O15 O 0.0202(6) 0.4069(5) 0.8901(2) 0.031(2) Uani 1 1 d . . . O16 O 0.2344(6) 0.4527(5) 0.8016(2) 0.031(2) Uani 1 1 d . . . O14B O 0.9924(6) 1.1720(5) 0.4265(2) 0.032(2) Uani 1 1 d . . . O18 O 0.7269(5) 1.2772(5) 0.3552(2) 0.030(2) Uani 1 1 d . . . O16B O 0.9587(5) 1.1408(5) 0.3249(2) 0.026(2) Uani 1 1 d . . . O9B O 0.7009(5) 1.1853(5) 0.4596(2) 0.027(2) Uani 1 1 d . . . O5B O 1.0969(7) 0.9154(6) 0.4284(3) 0.051(3) Uani 1 1 d . . . O6B O 0.8533(6) 0.9566(6) 0.5059(2) 0.049(3) Uani 1 1 d . . . O3B O 0.8615(7) 0.7432(5) 0.4350(2) 0.043(3) Uani 1 1 d . . . O7B O 0.6079(6) 0.9389(5) 0.4978(2) 0.034(2) Uani 1 1 d . . . O8B O 0.4494(6) 1.1163(5) 0.4257(2) 0.030(2) Uani 1 1 d . . . O10B O 0.4504(6) 1.0994(5) 0.3439(2) 0.0229(19) Uani 1 1 d . . . O11B O 0.7191(6) 1.1115(5) 0.2754(2) 0.030(2) Uani 1 1 d . . . O4B O 0.5997(6) 0.8711(5) 0.3132(2) 0.030(2) Uani 1 1 d . . . O12B O 0.8616(6) 0.9312(5) 0.2694(2) 0.032(2) Uani 1 1 d . . . O13B O 1.0997(6) 0.8837(5) 0.3456(2) 0.035(2) Uani 1 1 d . . . O1B O 0.8133(6) 0.7043(5) 0.3418(2) 0.041(2) Uani 1 1 d . . . O2B O 0.5583(6) 0.7764(5) 0.4162(2) 0.036(2) Uani 1 1 d . . . O90 O 0.7663(6) 0.5236(5) 0.7517(2) 0.029(2) Uani 1 1 d . . . O91 O 0.6141(6) 0.4144(7) 0.5325(3) 0.052(3) Uani 1 1 d . . . O90B O 0.3264(5) 0.3230(5) 0.2129(2) 0.026(2) Uani 1 1 d . . . O91B O 0.0031(6) 0.0661(6) 0.0548(3) 0.048(3) Uani 1 1 d . . . O137 O 0.3629(7) 0.3608(6) 0.4441(2) 0.044(2) Uani 1 1 d . . . O140 O 0.3120(6) 0.7889(5) 0.4062(2) 0.030(2) Uani 1 1 d . . . O143 O 0.8537(6) 0.1803(5) 0.1411(2) 0.038(2) Uani 1 1 d . . . O146 O 0.2791(7) 0.0470(5) 0.0430(2) 0.040(2) Uani 1 1 d . . . C1 C 0.5889(10) 0.2070(7) 0.8635(3) 0.030(3) Uani 1 1 d . . . C2 C 0.5568(8) 0.1748(7) 0.9383(3) 0.022(3) Uani 1 1 d . . . C3 C 0.5812(10) 0.3547(7) 0.9136(3) 0.030(3) Uani 1 1 d . . . C4 C 0.4041(8) 0.1314(8) 0.8875(3) 0.027(3) Uani 1 1 d . . . C5 C 0.5040(9) 0.5036(8) 0.8681(3) 0.027(3) Uani 1 1 d . . . C6 C 0.4325(9) 0.4991(8) 0.9368(3) 0.029(3) Uani 1 1 d . . . C7 C 0.4282(9) 0.3241(8) 0.9798(3) 0.024(3) Uani 1 1 d . . . C8 C 0.2526(9) 0.2505(8) 0.9741(3) 0.030(3) Uani 1 1 d . . . C9 C 0.2307(9) 0.4210(7) 0.9538(4) 0.030(3) Uani 1 1 d . . . C10 C 0.1908(9) 0.1651(8) 0.9113(3) 0.027(3) Uani 1 1 d . . . C11 C 0.2240(9) 0.1817(7) 0.8430(3) 0.025(3) Uani 1 1 d . . . C12 C 0.3847(8) 0.2544(7) 0.8000(3) 0.022(3) Uani 1 1 d U . . C13 C 0.4973(9) 0.3830(7) 0.8087(3) 0.023(3) Uani 1 1 d U . . C14 C 0.2450(8) 0.5362(7) 0.8817(4) 0.026(3) Uani 1 1 d . . . C15 C 0.1067(9) 0.4111(7) 0.8852(3) 0.025(3) Uani 1 1 d . . . C16 C 0.2730(8) 0.4186(7) 0.8266(3) 0.021(3) Uani 1 1 d . . . C14B C 0.9212(9) 1.1490(7) 0.4138(3) 0.019(3) Uani 1 1 d . . . C18 C 0.7577(8) 1.2135(7) 0.3692(3) 0.020(3) Uani 1 1 d U . . C16B C 0.9177(8) 1.0916(7) 0.3421(3) 0.019(3) Uani 1 1 d . . . C9B C 0.7139(9) 1.1306(7) 0.4389(3) 0.027(3) Uani 1 1 d . . . C5B C 1.0093(10) 0.9232(7) 0.4266(3) 0.028(3) Uani 1 1 d . . . C6B C 0.8567(9) 0.9490(8) 0.4748(4) 0.032(3) Uani 1 1 d . . . C3B C 0.8435(9) 0.8139(8) 0.4246(3) 0.031(3) Uani 1 1 d . . . C7B C 0.6298(8) 0.9708(7) 0.4703(4) 0.026(3) Uani 1 1 d . . . C8B C 0.5293(8) 1.0771(7) 0.4244(3) 0.017(3) Uani 1 1 d . . . C10B C 0.5351(9) 1.0740(7) 0.3465(3) 0.019(3) Uani 1 1 d . . . C11B C 0.6984(8) 1.0782(8) 0.3021(3) 0.024(3) Uani 1 1 d . . . C4B C 0.6405(8) 0.9059(7) 0.3347(3) 0.023(3) Uani 1 1 d . . . C12B C 0.8695(8) 0.9455(7) 0.2990(3) 0.023(3) Uani 1 1 d . . . C13B C 1.0176(9) 0.9148(7) 0.3481(3) 0.025(3) Uani 1 1 d . . . C1B C 0.7805(9) 0.7640(8) 0.3565(3) 0.027(3) Uani 1 1 d . . . C2B C 0.6216(9) 0.8112(7) 0.4030(3) 0.021(3) Uani 1 1 d U . . C33 C 0.7435(7) 0.2806(7) 0.7001(3) 0.014(3) Uani 1 1 d . . . C34 C 0.6946(7) 0.2194(7) 0.6822(3) 0.018(3) Uani 1 1 d . . . H34 H 0.7038 0.2132 0.6569 0.021 Uiso 1 1 calc R . . C35 C 0.6330(8) 0.1686(7) 0.7022(3) 0.024(3) Uani 1 1 d . . . H35 H 0.5994 0.1273 0.6903 0.029 Uiso 1 1 calc R . . C36 C 0.6190(8) 0.1760(8) 0.7388(4) 0.033(3) Uani 1 1 d . . . H36 H 0.5774 0.1393 0.7520 0.040 Uiso 1 1 calc R . . C37 C 0.6654(8) 0.2367(7) 0.7562(3) 0.023(3) Uani 1 1 d U . . H37 H 0.6551 0.2433 0.7814 0.028 Uiso 1 1 calc R . . C38 C 0.7276(8) 0.2884(7) 0.7365(3) 0.020(3) Uani 1 1 d . . . H38 H 0.7601 0.3301 0.7486 0.024 Uiso 1 1 calc R . . C39 C 0.9289(8) 0.3544(7) 0.7030(3) 0.021(3) Uani 1 1 d . . . C40 C 0.9747(8) 0.4318(7) 0.7088(3) 0.022(3) Uani 1 1 d . . . H40 H 0.9463 0.4855 0.6989 0.026 Uiso 1 1 calc R . . C41 C 1.0596(8) 0.4273(7) 0.7286(3) 0.025(3) Uani 1 1 d . . . H41 H 1.0911 0.4783 0.7320 0.030 Uiso 1 1 calc R . . C42 C 1.1010(9) 0.3499(9) 0.7440(3) 0.034(3) Uani 1 1 d . . . H42 H 1.1578 0.3488 0.7588 0.041 Uiso 1 1 calc R . . C43 C 1.0597(8) 0.2745(8) 0.7377(3) 0.030(3) Uani 1 1 d . . . H43 H 1.0899 0.2212 0.7473 0.036 Uiso 1 1 calc R . . C44 C 0.9744(7) 0.2768(7) 0.7174(3) 0.019(3) Uani 1 1 d . . . H44 H 0.9463 0.2246 0.7132 0.023 Uiso 1 1 calc R . . C45 C 0.8615(8) 0.3192(6) 0.6323(3) 0.016(3) Uani 1 1 d U . . H45A H 0.9340 0.2962 0.6328 0.019 Uiso 1 1 calc R . . H45B H 0.8218 0.2727 0.6251 0.019 Uiso 1 1 calc R . . C46 C 0.9294(7) 0.4850(7) 0.6138(3) 0.017(3) Uani 1 1 d . . . C47 C 0.8992(9) 0.5741(7) 0.6139(3) 0.025(3) Uani 1 1 d . . . H47 H 0.8314 0.5949 0.6086 0.030 Uiso 1 1 calc R . . C48 C 0.9672(9) 0.6319(8) 0.6217(4) 0.036(4) Uani 1 1 d . . . H48 H 0.9464 0.6921 0.6213 0.043 Uiso 1 1 calc R . . C49 C 1.0651(10) 0.6016(9) 0.6301(4) 0.040(4) Uani 1 1 d . . . H49 H 1.1105 0.6413 0.6366 0.048 Uiso 1 1 calc R . . C50 C 1.0983(9) 0.5156(8) 0.6293(3) 0.031(3) Uani 1 1 d . . . H50 H 1.1666 0.4957 0.6344 0.037 Uiso 1 1 calc R . . C51 C 1.0303(8) 0.4576(8) 0.6208(3) 0.025(3) Uani 1 1 d . . . H51 H 1.0534 0.3979 0.6199 0.030 Uiso 1 1 calc R . . C52 C 0.8932(7) 0.3720(7) 0.5577(3) 0.018(3) Uani 1 1 d . . . C53 C 0.8567(8) 0.2999(7) 0.5434(3) 0.023(3) Uani 1 1 d . . . H53 H 0.8055 0.2715 0.5559 0.028 Uiso 1 1 calc R . . C54 C 0.8962(8) 0.2706(7) 0.5106(3) 0.027(3) Uani 1 1 d . . . H54 H 0.8722 0.2214 0.5008 0.032 Uiso 1 1 calc R . . C55 C 0.9696(8) 0.3114(8) 0.4919(3) 0.028(3) Uani 1 1 d . . . H55 H 0.9951 0.2911 0.4692 0.034 Uiso 1 1 calc R . . C56 C 1.0057(8) 0.3811(7) 0.5061(3) 0.021(3) Uani 1 1 d . . . H56 H 1.0576 0.4080 0.4933 0.025 Uiso 1 1 calc R . . C57 C 0.9688(8) 0.4139(7) 0.5389(3) 0.024(3) Uani 1 1 d . . . H57 H 0.9937 0.4632 0.5482 0.028 Uiso 1 1 calc R . . C58 C 0.6942(7) 0.7125(7) 0.6608(3) 0.015(3) Uani 1 1 d U . . C59 C 0.7018(8) 0.7504(7) 0.6265(3) 0.020(3) Uani 1 1 d . . . H59 H 0.6655 0.7313 0.6073 0.024 Uiso 1 1 calc R . . C60 C 0.7645(8) 0.8176(7) 0.6209(3) 0.023(3) Uani 1 1 d . . . H60 H 0.7710 0.8439 0.5977 0.027 Uiso 1 1 calc R . . C61 C 0.8161(8) 0.8450(7) 0.6490(4) 0.025(3) Uani 1 1 d . . . H61 H 0.8571 0.8910 0.6451 0.030 Uiso 1 1 calc R . . C62 C 0.8089(8) 0.8059(7) 0.6829(3) 0.022(3) Uani 1 1 d . . . H62 H 0.8459 0.8241 0.7021 0.026 Uiso 1 1 calc R . . C63 C 0.7469(8) 0.7399(7) 0.6884(3) 0.024(3) Uani 1 1 d . . . H63 H 0.7410 0.7135 0.7116 0.029 Uiso 1 1 calc R . . C64 C 0.5455(8) 0.6477(7) 0.7108(3) 0.020(3) Uani 1 1 d . . . C65 C 0.5141(7) 0.7326(7) 0.7197(3) 0.018(3) Uani 1 1 d . . . H65 H 0.5319 0.7783 0.7041 0.021 Uiso 1 1 calc R . . C66 C 0.4579(7) 0.7514(7) 0.7507(3) 0.020(3) Uani 1 1 d . . . H66 H 0.4380 0.8097 0.7566 0.024 Uiso 1 1 calc R . . C67 C 0.4304(7) 0.6854(7) 0.7734(3) 0.018(3) Uani 1 1 d . . . H67 H 0.3910 0.6986 0.7947 0.022 Uiso 1 1 calc R . . C68 C 0.4596(7) 0.6008(7) 0.7653(3) 0.022(3) Uani 1 1 d . . . H68 H 0.4395 0.5556 0.7807 0.027 Uiso 1 1 calc R . . C69 C 0.5187(7) 0.5817(7) 0.7343(3) 0.016(3) Uani 1 1 d . . . H69 H 0.5410 0.5234 0.7291 0.019 Uiso 1 1 calc R . . C70 C 0.5250(8) 0.6265(7) 0.6344(3) 0.023(3) Uani 1 1 d . . . H70A H 0.4593 0.6561 0.6431 0.027 Uiso 1 1 calc R . . H70B H 0.5489 0.6585 0.6128 0.027 Uiso 1 1 calc R . . C71 C 0.4502(7) 0.4676(7) 0.6621(3) 0.016(3) Uani 1 1 d . . . C72 C 0.4864(8) 0.3869(7) 0.6746(3) 0.022(3) Uani 1 1 d . . . H72 H 0.5427 0.3552 0.6629 0.027 Uiso 1 1 calc R . . C73 C 0.4378(9) 0.3523(8) 0.7053(3) 0.030(3) Uani 1 1 d U . . H73 H 0.4621 0.2968 0.7146 0.036 Uiso 1 1 calc R . . C74 C 0.3562(9) 0.3977(8) 0.7219(3) 0.035(3) Uani 1 1 d . . . H74 H 0.3243 0.3735 0.7425 0.043 Uiso 1 1 calc R . . C75 C 0.3195(8) 0.4792(8) 0.7088(3) 0.025(3) Uani 1 1 d . . . H75 H 0.2638 0.5112 0.7207 0.029 Uiso 1 1 calc R . . C76 C 0.3642(7) 0.5124(7) 0.6788(3) 0.019(3) Uani 1 1 d . . . H76 H 0.3371 0.5666 0.6690 0.023 Uiso 1 1 calc R . . C77 C 0.4126(8) 0.5221(7) 0.5905(3) 0.019(3) Uani 1 1 d . . . C78 C 0.3731(8) 0.4457(7) 0.5828(3) 0.022(3) Uani 1 1 d . . . H78 H 0.4003 0.3929 0.5937 0.027 Uiso 1 1 calc R . . C79 C 0.2950(8) 0.4459(8) 0.5595(3) 0.032(3) Uani 1 1 d . . . H79 H 0.2688 0.3934 0.5545 0.039 Uiso 1 1 calc R . . C80 C 0.2545(8) 0.5223(8) 0.5436(3) 0.032(3) Uani 1 1 d . . . H80 H 0.1990 0.5231 0.5281 0.039 Uiso 1 1 calc R . . C81 C 0.2957(8) 0.5978(7) 0.5504(3) 0.027(3) Uani 1 1 d . . . H81 H 0.2697 0.6501 0.5388 0.032 Uiso 1 1 calc R . . C82 C 0.3739(8) 0.5982(8) 0.5736(3) 0.026(3) Uani 1 1 d . . . H82 H 0.4012 0.6506 0.5780 0.031 Uiso 1 1 calc R . . C64B C 0.3949(8) 0.0871(7) 0.1960(3) 0.018(3) Uani 1 1 d . . . C65B C 0.4912(7) 0.0391(6) 0.1938(3) 0.016(3) Uani 1 1 d . . . H65B H 0.5261 0.0302 0.1713 0.019 Uiso 1 1 calc R . . C66B C 0.5335(8) 0.0051(7) 0.2254(3) 0.024(3) Uani 1 1 d . . . H66B H 0.5974 -0.0288 0.2246 0.029 Uiso 1 1 calc R . . C67B C 0.4826(8) 0.0205(7) 0.2583(3) 0.020(3) Uani 1 1 d . . . H67B H 0.5130 -0.0016 0.2798 0.024 Uiso 1 1 calc R . . C68B C 0.3894(8) 0.0672(7) 0.2599(3) 0.019(3) Uani 1 1 d . . . H68B H 0.3552 0.0771 0.2825 0.022 Uiso 1 1 calc R . . C69B C 0.3451(8) 0.0998(7) 0.2290(3) 0.019(3) Uani 1 1 d . . . H69B H 0.2798 0.1313 0.2302 0.023 Uiso 1 1 calc R . . C58B C 0.4402(8) 0.1586(7) 0.1267(3) 0.016(3) Uani 1 1 d . . . C59B C 0.4567(8) 0.1391(7) 0.0903(3) 0.024(3) Uani 1 1 d . . . H59B H 0.4157 0.1012 0.0796 0.029 Uiso 1 1 calc R . . C60B C 0.5316(10) 0.1741(8) 0.0698(4) 0.038(4) Uani 1 1 d . . . H60B H 0.5423 0.1608 0.0451 0.046 Uiso 1 1 calc R . . C61B C 0.5908(10) 0.2290(8) 0.0856(4) 0.044(4) Uani 1 1 d . . . H61B H 0.6421 0.2541 0.0716 0.053 Uiso 1 1 calc R . . C62B C 0.5764(9) 0.2475(8) 0.1208(4) 0.039(4) Uani 1 1 d . . . H62B H 0.6185 0.2844 0.1315 0.047 Uiso 1 1 calc R . . C63B C 0.5016(8) 0.2131(8) 0.1412(4) 0.033(3) Uani 1 1 d . . . H63B H 0.4920 0.2273 0.1658 0.040 Uiso 1 1 calc R . . C70B C 0.2988(7) 0.0242(6) 0.1352(3) 0.016(3) Uani 1 1 d . . . H70D H 0.3165 0.0219 0.1092 0.019 Uiso 1 1 calc R . . H70C H 0.3332 -0.0275 0.1474 0.019 Uiso 1 1 calc R . . C77B C 0.1320(7) 0.0262(7) 0.1905(3) 0.014(2) Uani 1 1 d . . . C82B C 0.0609(8) 0.0878(7) 0.2056(3) 0.019(3) Uani 1 1 d . . . H82B H 0.0276 0.1317 0.1907 0.022 Uiso 1 1 calc R . . C81B C 0.0382(8) 0.0858(7) 0.2421(3) 0.020(3) Uani 1 1 d . . . H81B H -0.0095 0.1288 0.2523 0.025 Uiso 1 1 calc R . . C80B C 0.0847(7) 0.0216(7) 0.2636(3) 0.022(3) Uani 1 1 d . . . H80B H 0.0688 0.0205 0.2886 0.026 Uiso 1 1 calc R . . C79B C 0.1555(8) -0.0427(7) 0.2491(3) 0.021(3) Uani 1 1 d . . . H79B H 0.1872 -0.0872 0.2641 0.025 Uiso 1 1 calc R . . C78B C 0.1774(7) -0.0398(6) 0.2133(3) 0.014(3) Uani 1 1 d . . . H78B H 0.2246 -0.0834 0.2033 0.017 Uiso 1 1 calc R . . C71B C 0.1305(7) -0.0729(6) 0.1263(3) 0.015(3) Uani 1 1 d . . . C76B C 0.0613(8) -0.1218(7) 0.1454(3) 0.025(3) Uani 1 1 d . . . H76B H 0.0277 -0.1014 0.1669 0.030 Uiso 1 1 calc R . . C75B C 0.0441(8) -0.1990(7) 0.1320(4) 0.029(3) Uani 1 1 d . . . H75B H -0.0018 -0.2329 0.1446 0.035 Uiso 1 1 calc R . . C74B C 0.0927(9) -0.2294(7) 0.1002(4) 0.032(3) Uani 1 1 d . . . H74B H 0.0815 -0.2841 0.0917 0.038 Uiso 1 1 calc R . . C73B C 0.1574(8) -0.1784(7) 0.0814(3) 0.027(3) Uani 1 1 d . . . H73B H 0.1887 -0.1971 0.0592 0.032 Uiso 1 1 calc R . . C72B C 0.1759(9) -0.1019(7) 0.0947(3) 0.026(3) Uani 1 1 d . . . H72B H 0.2211 -0.0678 0.0818 0.032 Uiso 1 1 calc R . . C33B C 0.1126(8) 0.4484(7) 0.1686(3) 0.019(3) Uani 1 1 d . . . C34B C 0.2054(8) 0.4677(7) 0.1535(3) 0.020(3) Uani 1 1 d . . . H34B H 0.2484 0.4243 0.1415 0.024 Uiso 1 1 calc R . . C35B C 0.2358(8) 0.5507(7) 0.1557(3) 0.019(3) Uani 1 1 d . . . H35B H 0.2992 0.5635 0.1453 0.023 Uiso 1 1 calc R . . C36B C 0.1747(8) 0.6126(7) 0.1728(3) 0.018(3) Uani 1 1 d . . . H36B H 0.1957 0.6687 0.1745 0.022 Uiso 1 1 calc R . . C37B C 0.0819(8) 0.5953(7) 0.1880(3) 0.024(3) Uani 1 1 d . . . H37B H 0.0396 0.6396 0.1997 0.028 Uiso 1 1 calc R . . C38B C 0.0499(8) 0.5132(7) 0.1861(3) 0.021(3) Uani 1 1 d . . . H38B H -0.0138 0.5014 0.1966 0.025 Uiso 1 1 calc R . . C39B C -0.0065(8) 0.3296(6) 0.2066(3) 0.017(3) Uani 1 1 d . . . C44B C 0.0405(8) 0.3306(8) 0.2387(3) 0.027(3) Uani 1 1 d . . . H44B H 0.1110 0.3368 0.2386 0.032 Uiso 1 1 calc R . . C43B C -0.0121(8) 0.3228(7) 0.2711(3) 0.027(3) Uani 1 1 d . . . H43B H 0.0218 0.3246 0.2931 0.033 Uiso 1 1 calc R . . C42B C -0.1124(9) 0.3126(7) 0.2715(3) 0.023(3) Uani 1 1 d . . . H42B H -0.1488 0.3062 0.2937 0.028 Uiso 1 1 calc R . . C41B C -0.1607(9) 0.3114(10) 0.2403(4) 0.048(4) Uani 1 1 d . . . H41B H -0.2308 0.3037 0.2408 0.057 Uiso 1 1 calc R . . C40B C -0.1092(9) 0.3213(9) 0.2072(4) 0.047(4) Uani 1 1 d . . . H40B H -0.1444 0.3223 0.1854 0.057 Uiso 1 1 calc R . . C45B C -0.0116(8) 0.3487(7) 0.1270(3) 0.017(3) Uani 1 1 d . . . H45D H -0.0744 0.3216 0.1333 0.020 Uiso 1 1 calc R . . H45C H -0.0306 0.4098 0.1199 0.020 Uiso 1 1 calc R . . C46B C -0.0258(7) 0.3037(7) 0.0526(3) 0.014(3) Uani 1 1 d . . . C47B C -0.1200(9) 0.2758(9) 0.0562(4) 0.042(4) Uani 1 1 d . . . H47B H -0.1431 0.2524 0.0785 0.050 Uiso 1 1 calc R . . C48B C -0.1821(9) 0.2822(9) 0.0264(4) 0.042(4) Uani 1 1 d . . . H48B H -0.2483 0.2642 0.0290 0.051 Uiso 1 1 calc R . . C49B C -0.1516(9) 0.3121(7) -0.0048(3) 0.023(3) Uani 1 1 d . . . H49B H -0.1953 0.3139 -0.0245 0.028 Uiso 1 1 calc R . . C50B C -0.0572(10) 0.3414(9) -0.0098(4) 0.043(4) Uani 1 1 d . . . H50B H -0.0358 0.3636 -0.0326 0.052 Uiso 1 1 calc R . . C51B C 0.0073(10) 0.3373(8) 0.0201(4) 0.037(3) Uani 1 1 d . . . H56B H 0.0724 0.3575 0.0177 0.044 Uiso 1 1 calc R . . C52B C 0.1599(7) 0.3556(7) 0.0772(3) 0.019(3) Uani 1 1 d . . . C57B C 0.1384(9) 0.4426(8) 0.0691(3) 0.033(3) Uani 1 1 d . . . H57B H 0.0705 0.4691 0.0698 0.039 Uiso 1 1 calc R . . C56B C 0.2188(9) 0.4904(8) 0.0598(4) 0.038(3) Uani 1 1 d . . . H129 H 0.2054 0.5508 0.0554 0.045 Uiso 1 1 calc R . . C55B C 0.3158(9) 0.4528(8) 0.0568(3) 0.035(3) Uani 1 1 d . . . H55B H 0.3684 0.4866 0.0489 0.042 Uiso 1 1 calc R . . C54B C 0.3390(9) 0.3669(8) 0.0651(3) 0.031(3) Uani 1 1 d . . . H54B H 0.4072 0.3412 0.0639 0.037 Uiso 1 1 calc R . . C53B C 0.2594(8) 0.3181(7) 0.0752(3) 0.024(3) Uani 1 1 d . . . H53B H 0.2738 0.2583 0.0809 0.029 Uiso 1 1 calc R . . C90 C 0.7506(8) 0.5121(7) 0.7229(3) 0.022(3) Uani 1 1 d U . . C91 C 0.6362(8) 0.4281(8) 0.5604(4) 0.030(3) Uani 1 1 d . . . C90B C 0.2812(8) 0.2896(7) 0.1930(3) 0.015(3) Uani 1 1 d . . . C91B C 0.0392(9) 0.0982(8) 0.0777(3) 0.027(3) Uani 1 1 d . . . C137 C 0.3579(9) 0.3064(8) 0.4691(3) 0.029(3) Uani 1 1 d . . . C138 C 0.4452(9) 0.2825(9) 0.4925(3) 0.040(4) Uani 1 1 d . . . H13A H 0.5056 0.3062 0.4820 0.061 Uiso 1 1 calc R . . H13B H 0.4581 0.2196 0.4946 0.061 Uiso 1 1 calc R . . H13C H 0.4295 0.3060 0.5164 0.061 Uiso 1 1 calc R . . C139 C 0.2640(9) 0.2613(8) 0.4762(4) 0.048(4) Uani 1 1 d . . . H13D H 0.2346 0.2762 0.5000 0.072 Uiso 1 1 calc R . . H13E H 0.2819 0.1988 0.4754 0.072 Uiso 1 1 calc R . . H13F H 0.2145 0.2794 0.4579 0.072 Uiso 1 1 calc R . . C140 C 0.3323(8) 0.8579(8) 0.4170(3) 0.024(3) Uani 1 1 d . . . C141 C 0.3404(10) 0.9345(8) 0.3927(4) 0.048(4) Uani 1 1 d . . . H14A H 0.4108 0.9352 0.3838 0.072 Uiso 1 1 calc R . . H14B H 0.3195 0.9871 0.4059 0.072 Uiso 1 1 calc R . . H14C H 0.2962 0.9318 0.3724 0.072 Uiso 1 1 calc R . . C142 C 0.3486(9) 0.8681(8) 0.4562(3) 0.039(4) Uani 1 1 d . . . H14D H 0.2886 0.9007 0.4672 0.059 Uiso 1 1 calc R . . H14E H 0.4082 0.8993 0.4590 0.059 Uiso 1 1 calc R . . H14F H 0.3596 0.8111 0.4681 0.059 Uiso 1 1 calc R . . C143 C 0.8103(8) 0.1174(8) 0.1496(4) 0.025(3) Uani 1 1 d . . . C144 C 0.7770(10) 0.0998(10) 0.1880(4) 0.055(4) Uani 1 1 d . . . H14G H 0.8109 0.0444 0.1964 0.083 Uiso 1 1 calc R . . H14H H 0.7033 0.0979 0.1894 0.083 Uiso 1 1 calc R . . H14I H 0.7951 0.1458 0.2031 0.083 Uiso 1 1 calc R . . C145 C 0.7918(11) 0.0533(9) 0.1228(4) 0.056(4) Uani 1 1 d . . . H14J H 0.8087 0.0754 0.0987 0.084 Uiso 1 1 calc R . . H14K H 0.7201 0.0429 0.1243 0.084 Uiso 1 1 calc R . . H14L H 0.8342 -0.0008 0.1277 0.084 Uiso 1 1 calc R . . C146 C 0.2847(8) 0.0258(8) 0.0119(4) 0.027(3) Uani 1 1 d . . . C148 C 0.3696(9) 0.0463(8) -0.0129(4) 0.044(4) Uani 1 1 d . . . H14M H 0.4090 0.0872 -0.0016 0.067 Uiso 1 1 calc R . . H14N H 0.3424 0.0719 -0.0353 0.067 Uiso 1 1 calc R . . H14O H 0.4136 -0.0067 -0.0180 0.067 Uiso 1 1 calc R . . C149 C 0.2059(10) -0.0247(8) -0.0025(4) 0.045(4) Uani 1 1 d . . . H14P H 0.1611 -0.0422 0.0173 0.068 Uiso 1 1 calc R . . H14Q H 0.2392 -0.0761 -0.0142 0.068 Uiso 1 1 calc R . . H14R H 0.1659 0.0111 -0.0200 0.068 Uiso 1 1 calc R . . C150 C 0.3645(7) 0.3235(6) 0.8902(3) 0.018(3) Uani 1 1 d . . . C151 C 0.7689(7) 0.9876(6) 0.3865(3) 0.015(3) Uani 1 1 d U . . 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 0.0152(2) 0.0102(2) 0.0176(3) 0.0010(2) -0.00104(19) -0.00054(18) Pt2 0.0132(2) 0.0140(2) 0.0175(3) 0.0000(2) -0.00023(19) -0.00169(18) Pt1B 0.0133(2) 0.0098(2) 0.0169(3) 0.00039(19) -0.00162(18) 0.00006(18) Pt2B 0.0159(2) 0.0092(2) 0.0182(3) 0.0009(2) -0.00308(19) -0.00041(18) Ru1 0.0221(5) 0.0117(5) 0.0222(6) 0.0024(4) -0.0007(4) 0.0026(4) Ru2 0.0202(5) 0.0122(5) 0.0277(6) -0.0017(4) -0.0030(4) -0.0007(4) Ru3 0.0230(5) 0.0155(5) 0.0226(6) -0.0006(4) -0.0003(4) 0.0018(4) Ru4 0.0240(5) 0.0125(5) 0.0239(6) 0.0008(4) -0.0017(4) -0.0030(4) Ru5 0.0238(5) 0.0126(5) 0.0206(6) 0.0015(4) -0.0015(4) -0.0005(4) Ru6 0.0197(5) 0.0102(5) 0.0297(6) 0.0014(4) -0.0038(4) 0.0007(4) Ru6B 0.0160(5) 0.0104(5) 0.0206(6) 0.0009(4) 0.0002(4) -0.0021(4) Ru2B 0.0179(5) 0.0154(5) 0.0185(6) 0.0017(4) -0.0025(4) 0.0001(4) Ru3B 0.0158(5) 0.0132(5) 0.0180(5) 0.0020(4) 0.0018(4) -0.0012(4) Ru4B 0.0144(5) 0.0114(5) 0.0175(5) 0.0026(4) -0.0009(4) -0.0005(4) Ru5B 0.0143(5) 0.0131(5) 0.0183(5) 0.0010(4) 0.0016(4) -0.0003(4) Ru1B 0.0162(5) 0.0096(5) 0.0210(6) 0.0023(4) -0.0003(4) -0.0016(4) P1 0.0147(16) 0.0104(15) 0.0190(17) 0.0015(13) 0.0000(13) -0.0001(12) P2 0.0176(16) 0.0087(15) 0.0156(17) 0.0029(13) -0.0023(13) -0.0015(12) P3 0.0152(16) 0.0114(16) 0.0218(18) 0.0013(14) 0.0003(13) -0.0039(12) P4 0.0144(16) 0.0121(16) 0.0199(18) 0.0010(14) 0.0021(13) -0.0041(12) P2B 0.0152(16) 0.0100(15) 0.0215(18) 0.0013(14) -0.0024(13) 0.0012(12) P1B 0.0127(15) 0.0114(15) 0.0191(17) -0.0007(13) -0.0024(13) -0.0010(12) P4B 0.0189(16) 0.0100(16) 0.0206(18) 0.0007(14) -0.0029(13) -0.0004(12) P3B 0.0197(16) 0.0096(15) 0.0177(17) 0.0023(13) -0.0028(13) 0.0008(12) O1 0.044(6) 0.033(5) 0.019(5) 0.012(4) 0.010(4) 0.005(4) O2 0.037(5) 0.037(6) 0.036(6) 0.009(5) -0.006(4) 0.015(4) O3 0.027(5) 0.016(5) 0.048(6) 0.004(4) -0.012(4) 0.000(4) O4 0.041(5) 0.021(5) 0.041(6) -0.002(4) -0.006(4) 0.001(4) O5 0.048(6) 0.020(5) 0.038(6) 0.005(5) -0.002(4) -0.003(4) O6 0.038(6) 0.045(6) 0.068(8) -0.028(6) 0.008(5) -0.009(5) O7 0.038(6) 0.046(6) 0.034(6) -0.013(5) -0.005(5) -0.003(5) O8 0.053(6) 0.026(5) 0.027(6) 0.011(4) 0.008(4) -0.001(4) O9 0.048(6) 0.025(5) 0.055(7) -0.005(5) 0.008(5) 0.008(5) O10 0.036(6) 0.044(6) 0.039(6) 0.012(5) 0.001(4) -0.006(5) O11 0.052(6) 0.057(7) 0.037(7) -0.014(5) 0.001(5) -0.033(5) O12 0.056(6) 0.030(5) 0.029(6) 0.003(5) 0.003(5) -0.012(4) O13 0.033(5) 0.017(5) 0.045(6) -0.001(4) 0.004(4) -0.007(4) O14 0.029(5) 0.018(5) 0.088(8) 0.008(5) -0.021(5) -0.008(4) O15 0.027(5) 0.017(5) 0.051(6) -0.001(4) -0.011(4) -0.006(4) O16 0.030(5) 0.036(5) 0.028(5) 0.010(4) -0.005(4) -0.002(4) O14B 0.021(5) 0.029(5) 0.046(6) -0.005(5) -0.008(4) -0.006(4) O18 0.028(5) 0.016(5) 0.043(6) 0.011(4) -0.001(4) 0.004(4) O16B 0.022(5) 0.021(5) 0.035(6) 0.000(4) 0.017(4) -0.006(4) O9B 0.034(5) 0.023(5) 0.027(5) -0.007(4) 0.005(4) -0.010(4) O5B 0.023(5) 0.077(8) 0.051(7) 0.001(6) -0.008(5) -0.001(5) O6B 0.044(6) 0.078(8) 0.024(6) -0.002(5) -0.014(5) 0.011(5) O3B 0.064(6) 0.017(5) 0.050(7) 0.014(5) -0.033(5) 0.000(4) O7B 0.035(5) 0.034(6) 0.031(6) 0.010(5) 0.009(4) -0.001(4) O8B 0.020(5) 0.042(5) 0.026(5) 0.008(4) -0.001(4) 0.005(4) O10B 0.021(5) 0.026(5) 0.022(5) 0.002(4) 0.001(4) -0.005(4) O11B 0.026(5) 0.037(6) 0.024(5) 0.013(4) -0.001(4) 0.005(4) O4B 0.034(5) 0.017(5) 0.041(6) 0.000(4) -0.021(4) 0.001(4) O12B 0.032(5) 0.037(6) 0.025(6) -0.009(4) 0.000(4) 0.003(4) O13B 0.015(5) 0.045(6) 0.041(6) 0.002(5) 0.001(4) 0.015(4) O1B 0.041(6) 0.032(5) 0.047(7) -0.008(5) -0.003(5) 0.008(4) O2B 0.032(5) 0.022(5) 0.053(7) 0.009(5) 0.019(4) -0.008(4) O90 0.038(5) 0.022(5) 0.026(5) -0.003(4) -0.010(4) 0.006(4) O91 0.031(6) 0.106(9) 0.022(6) -0.015(6) -0.008(4) -0.007(5) O90B 0.023(5) 0.020(5) 0.033(6) -0.006(4) -0.010(4) 0.005(4) O91B 0.047(6) 0.042(6) 0.056(7) -0.013(5) -0.033(5) 0.002(5) O137 0.068(7) 0.041(6) 0.024(6) 0.000(5) -0.002(5) -0.007(5) O140 0.032(5) 0.027(5) 0.031(6) 0.002(4) 0.002(4) -0.008(4) O143 0.037(5) 0.029(5) 0.048(6) 0.005(5) -0.003(4) -0.008(4) O146 0.066(7) 0.028(5) 0.030(6) 0.008(5) -0.006(5) -0.018(5) C1 0.050(9) 0.022(7) 0.017(7) 0.005(6) 0.001(6) -0.001(6) C2 0.022(7) 0.023(7) 0.021(7) 0.002(6) 0.000(6) 0.001(5) C3 0.042(9) 0.022(7) 0.028(8) 0.008(6) -0.014(6) -0.007(6) C4 0.022(7) 0.024(8) 0.036(8) 0.004(6) 0.001(6) -0.004(6) C5 0.033(8) 0.019(7) 0.027(8) -0.009(6) -0.005(6) 0.007(6) C6 0.035(8) 0.028(8) 0.024(8) -0.002(6) -0.010(6) 0.003(6) C7 0.018(7) 0.032(8) 0.022(8) -0.003(6) 0.006(6) -0.005(6) C8 0.035(8) 0.030(8) 0.023(8) -0.005(7) 0.002(6) 0.001(6) C9 0.041(8) 0.009(7) 0.042(9) 0.005(6) 0.005(7) -0.009(6) C10 0.034(8) 0.021(7) 0.027(8) -0.001(6) -0.004(6) 0.001(6) C11 0.031(8) 0.023(7) 0.023(8) -0.002(6) 0.009(6) -0.016(6) C12 0.023(5) 0.015(5) 0.028(6) 0.013(5) -0.003(5) -0.007(4) C13 0.031(6) 0.013(6) 0.025(6) -0.009(5) -0.006(5) 0.007(5) C14 0.009(6) 0.012(7) 0.059(10) 0.002(7) -0.010(6) -0.001(5) C15 0.028(8) 0.012(7) 0.036(8) 0.001(6) -0.001(6) -0.005(6) C16 0.023(7) 0.007(6) 0.031(8) 0.004(6) -0.002(6) 0.004(5) C14B 0.026(7) 0.011(6) 0.019(7) 0.010(5) 0.001(5) -0.001(5) C18 0.017(5) 0.022(5) 0.024(6) -0.003(5) 0.000(4) -0.015(5) C16B 0.014(6) 0.023(7) 0.018(7) -0.004(6) 0.002(5) -0.001(5) C9B 0.045(8) 0.012(7) 0.023(8) 0.001(6) 0.014(6) -0.002(6) C5B 0.040(8) 0.023(7) 0.020(7) -0.004(6) -0.007(6) 0.004(6) C6B 0.029(8) 0.036(8) 0.033(9) 0.008(7) -0.011(6) -0.010(6) C3B 0.032(8) 0.026(8) 0.034(9) 0.000(7) -0.005(6) -0.003(6) C7B 0.024(7) 0.019(7) 0.034(8) 0.009(6) 0.004(6) -0.003(5) C8B 0.021(7) 0.012(6) 0.017(7) 0.000(5) -0.001(5) -0.002(5) C10B 0.019(7) 0.017(7) 0.023(7) 0.002(5) 0.004(5) -0.014(5) C11B 0.016(7) 0.035(8) 0.021(8) -0.006(7) -0.011(6) 0.004(6) C4B 0.015(7) 0.017(7) 0.036(8) -0.001(6) 0.001(6) 0.001(5) C12B 0.014(7) 0.022(7) 0.030(8) 0.007(6) 0.008(6) 0.010(5) C13B 0.021(7) 0.017(7) 0.038(8) 0.001(6) 0.002(6) -0.013(6) C1B 0.029(7) 0.029(8) 0.020(7) 0.004(6) 0.008(6) 0.014(6) C2B 0.027(5) 0.009(5) 0.026(6) -0.005(5) -0.002(5) 0.000(4) C33 0.008(6) 0.018(6) 0.015(7) 0.009(5) 0.000(5) 0.004(5) C34 0.009(6) 0.016(6) 0.026(7) 0.005(6) 0.003(5) 0.005(5) C35 0.011(6) 0.017(7) 0.045(9) 0.000(6) -0.002(6) 0.004(5) C36 0.019(7) 0.026(8) 0.050(10) 0.014(7) 0.017(6) 0.006(6) C37 0.031(6) 0.015(5) 0.023(6) 0.009(5) 0.008(5) -0.003(5) C38 0.018(6) 0.015(6) 0.025(7) -0.007(6) -0.001(5) 0.005(5) C39 0.015(6) 0.025(7) 0.022(7) -0.007(6) 0.002(5) 0.004(5) C40 0.019(7) 0.020(7) 0.026(7) 0.004(6) 0.008(5) -0.001(5) C41 0.008(6) 0.024(7) 0.044(9) -0.010(6) 0.000(6) -0.003(5) C42 0.016(7) 0.054(10) 0.033(9) -0.012(7) 0.001(6) -0.009(7) C43 0.023(7) 0.041(8) 0.025(8) -0.011(7) -0.005(6) 0.002(6) C44 0.010(6) 0.018(7) 0.030(8) -0.009(6) 0.004(5) -0.003(5) C45 0.013(5) 0.007(5) 0.026(6) 0.007(4) 0.004(4) 0.000(4) C46 0.009(6) 0.017(6) 0.025(7) 0.002(5) -0.002(5) -0.005(5) C47 0.028(7) 0.010(6) 0.035(8) 0.006(6) 0.004(6) -0.003(5) C48 0.028(8) 0.025(7) 0.057(10) -0.010(7) 0.018(7) -0.017(6) C49 0.037(9) 0.043(9) 0.045(10) -0.015(8) 0.011(7) -0.028(7) C50 0.017(7) 0.043(9) 0.034(9) -0.004(7) -0.003(6) -0.010(6) C51 0.019(7) 0.026(7) 0.027(8) 0.009(6) 0.003(5) -0.002(6) C52 0.010(6) 0.021(7) 0.019(7) -0.001(6) -0.004(5) 0.011(5) C53 0.017(6) 0.019(7) 0.034(8) 0.001(6) 0.001(6) -0.010(5) C54 0.027(7) 0.023(7) 0.031(8) -0.002(6) 0.002(6) -0.010(6) C55 0.028(7) 0.029(8) 0.026(8) -0.006(6) 0.000(6) 0.007(6) C56 0.020(7) 0.026(7) 0.016(7) 0.012(6) 0.003(5) -0.001(5) C57 0.015(6) 0.023(7) 0.032(8) 0.000(6) 0.003(6) 0.002(5) C58 0.003(5) 0.014(5) 0.028(6) 0.000(5) 0.002(4) -0.001(4) C59 0.020(6) 0.013(6) 0.027(8) 0.004(6) 0.000(5) 0.000(5) C60 0.015(6) 0.023(7) 0.030(8) 0.003(6) -0.004(6) -0.007(5) C61 0.008(6) 0.012(7) 0.056(10) 0.003(7) 0.000(6) -0.005(5) C62 0.014(6) 0.023(7) 0.030(8) 0.003(6) -0.009(5) -0.006(5) C63 0.030(7) 0.022(7) 0.021(7) 0.005(6) -0.007(6) -0.007(6) C64 0.026(7) 0.020(7) 0.014(7) 0.001(5) -0.005(5) -0.006(5) C65 0.015(6) 0.006(6) 0.033(8) 0.006(5) -0.003(5) -0.002(5) C66 0.015(6) 0.007(6) 0.036(8) 0.000(6) -0.001(5) 0.006(5) C67 0.009(6) 0.022(7) 0.026(7) -0.005(6) -0.007(5) -0.004(5) C68 0.011(6) 0.030(7) 0.026(8) 0.001(6) -0.005(5) -0.001(5) C69 0.010(6) 0.012(6) 0.025(7) 0.005(5) -0.004(5) -0.003(5) C70 0.025(7) 0.021(7) 0.021(7) 0.000(6) -0.004(5) 0.005(5) C71 0.013(6) 0.015(6) 0.022(7) 0.001(5) -0.010(5) -0.007(5) C72 0.028(7) 0.023(7) 0.016(7) 0.006(6) -0.004(5) -0.003(5) C73 0.031(6) 0.022(6) 0.037(7) 0.017(5) -0.004(5) -0.004(5) C74 0.026(8) 0.052(9) 0.027(8) 0.021(7) 0.006(6) -0.009(7) C75 0.004(6) 0.033(8) 0.037(8) 0.002(7) -0.008(5) -0.002(5) C76 0.012(6) 0.024(7) 0.021(7) 0.002(6) -0.005(5) 0.002(5) C77 0.017(6) 0.015(6) 0.024(7) 0.000(6) -0.001(5) 0.004(5) C78 0.022(7) 0.014(6) 0.030(8) -0.003(6) -0.014(6) 0.008(5) C79 0.024(7) 0.033(8) 0.040(9) -0.013(7) -0.012(6) -0.002(6) C80 0.016(7) 0.040(8) 0.042(9) -0.003(7) -0.021(6) 0.001(6) C81 0.030(7) 0.020(7) 0.029(8) 0.002(6) -0.015(6) 0.006(6) C82 0.032(7) 0.027(7) 0.021(7) -0.008(6) -0.005(6) -0.007(6) C64B 0.016(6) 0.015(6) 0.023(7) -0.005(5) -0.006(5) -0.001(5) C65B 0.014(6) 0.009(6) 0.026(7) 0.000(5) -0.004(5) -0.006(5) C66B 0.019(7) 0.013(6) 0.040(9) 0.004(6) -0.007(6) -0.002(5) C67B 0.030(7) 0.016(7) 0.015(7) 0.009(5) -0.009(5) -0.007(5) C68B 0.016(6) 0.023(7) 0.019(7) -0.004(6) -0.008(5) -0.007(5) C69B 0.021(7) 0.021(7) 0.016(7) -0.003(6) -0.008(5) -0.002(5) C58B 0.015(6) 0.015(6) 0.018(7) 0.003(5) -0.002(5) -0.003(5) C59B 0.020(7) 0.020(7) 0.032(8) 0.007(6) 0.002(6) 0.000(5) C60B 0.045(9) 0.032(8) 0.033(9) 0.001(7) 0.018(7) 0.003(7) C61B 0.046(9) 0.024(8) 0.061(12) -0.007(8) 0.022(8) 0.000(7) C62B 0.026(8) 0.026(8) 0.067(12) 0.001(8) 0.001(7) -0.017(6) C63B 0.022(7) 0.027(8) 0.048(9) 0.009(7) 0.004(6) 0.007(6) C70B 0.025(6) 0.005(6) 0.015(6) -0.001(5) 0.003(5) 0.004(5) C77B 0.013(6) 0.018(6) 0.012(6) 0.005(5) 0.002(5) -0.010(5) C82B 0.020(6) 0.008(6) 0.027(7) 0.002(5) 0.004(5) 0.003(5) C81B 0.017(6) 0.019(7) 0.025(7) 0.000(6) 0.005(5) -0.002(5) C80B 0.011(6) 0.030(7) 0.026(7) 0.005(6) -0.003(5) -0.008(5) C79B 0.023(7) 0.014(6) 0.025(8) 0.008(6) -0.004(5) -0.001(5) C78B 0.009(6) 0.009(6) 0.026(7) 0.002(5) -0.002(5) -0.001(5) C71B 0.011(6) 0.011(6) 0.024(7) 0.001(5) -0.001(5) 0.001(5) C76B 0.019(7) 0.010(6) 0.045(9) -0.002(6) -0.008(6) -0.002(5) C75B 0.026(7) 0.017(7) 0.047(9) 0.010(7) -0.001(6) -0.015(6) C74B 0.037(8) 0.013(7) 0.045(9) -0.006(7) -0.008(7) 0.004(6) C73B 0.029(7) 0.023(7) 0.028(8) -0.004(6) 0.013(6) -0.001(6) C72B 0.031(7) 0.014(7) 0.034(8) -0.005(6) -0.008(6) 0.000(5) C33B 0.024(7) 0.019(7) 0.013(6) 0.005(5) 0.001(5) -0.002(5) C34B 0.028(7) 0.011(6) 0.019(7) 0.003(5) 0.004(5) 0.006(5) C35B 0.015(6) 0.014(6) 0.030(8) 0.001(6) 0.000(5) -0.008(5) C36B 0.024(7) 0.008(6) 0.025(7) 0.003(5) -0.005(5) -0.009(5) C37B 0.034(8) 0.010(6) 0.027(8) -0.009(6) -0.009(6) 0.001(5) C38B 0.025(7) 0.016(7) 0.020(7) 0.003(5) 0.002(5) 0.001(5) C39B 0.030(7) 0.007(6) 0.015(7) -0.004(5) -0.007(5) 0.001(5) C44B 0.010(6) 0.041(8) 0.029(8) 0.002(7) -0.001(5) 0.002(6) C43B 0.017(7) 0.039(8) 0.025(8) 0.000(6) 0.002(6) 0.000(6) C42B 0.032(8) 0.020(7) 0.019(7) 0.000(6) 0.012(6) -0.010(6) C41B 0.010(7) 0.103(13) 0.032(9) 0.004(9) 0.001(6) -0.018(7) C40B 0.013(7) 0.093(12) 0.035(9) -0.008(9) -0.010(6) 0.002(7) C45B 0.022(6) 0.010(6) 0.018(7) 0.006(5) 0.005(5) -0.007(5) C46B 0.008(6) 0.022(7) 0.012(6) -0.004(5) -0.004(5) 0.005(5) C47B 0.026(8) 0.053(10) 0.047(10) 0.006(8) 0.002(7) -0.011(7) C48B 0.022(7) 0.069(11) 0.037(9) 0.024(8) -0.009(7) -0.014(7) C49B 0.030(7) 0.028(7) 0.013(7) -0.006(6) -0.014(6) -0.006(6) C50B 0.053(10) 0.057(10) 0.017(8) 0.002(7) -0.007(7) 0.005(8) C51B 0.038(8) 0.041(9) 0.030(9) -0.004(7) -0.001(7) 0.006(7) C52B 0.011(6) 0.021(7) 0.025(7) -0.002(6) -0.009(5) 0.003(5) C57B 0.020(7) 0.030(8) 0.042(9) 0.014(7) 0.009(6) 0.013(6) C56B 0.036(9) 0.032(8) 0.043(9) 0.003(7) 0.002(7) 0.003(7) C55B 0.026(8) 0.038(9) 0.042(9) 0.002(7) 0.015(6) -0.018(6) C54B 0.029(8) 0.025(8) 0.040(9) 0.000(7) 0.012(6) -0.006(6) C53B 0.027(7) 0.023(7) 0.022(7) -0.004(6) -0.001(6) 0.002(6) C90 0.023(5) 0.010(5) 0.030(6) 0.000(5) 0.000(5) 0.008(4) C91 0.006(6) 0.037(8) 0.045(10) -0.003(7) 0.002(6) 0.011(5) C90B 0.011(6) 0.012(6) 0.020(7) 0.008(5) 0.010(5) 0.006(5) C91B 0.032(8) 0.023(7) 0.022(8) 0.013(6) 0.002(6) 0.005(6) C137 0.034(8) 0.033(8) 0.018(7) -0.007(6) 0.003(6) 0.007(6) C138 0.034(8) 0.064(10) 0.020(8) 0.005(7) -0.002(6) 0.004(7) C139 0.032(8) 0.039(9) 0.068(11) 0.012(8) 0.014(7) 0.008(7) C140 0.012(6) 0.033(8) 0.026(8) -0.002(7) -0.011(5) 0.001(6) C141 0.067(10) 0.021(8) 0.057(11) 0.002(8) 0.005(8) -0.011(7) C142 0.034(8) 0.043(9) 0.040(9) -0.012(7) -0.002(7) -0.004(6) C143 0.009(6) 0.017(7) 0.049(9) 0.000(7) -0.001(6) 0.002(5) C144 0.049(9) 0.068(11) 0.050(11) 0.025(9) -0.001(8) -0.023(8) C145 0.068(11) 0.040(9) 0.064(12) -0.004(9) 0.000(9) -0.026(8) C146 0.018(7) 0.028(8) 0.037(9) 0.002(7) -0.007(6) 0.000(6) C148 0.042(9) 0.037(9) 0.052(10) 0.012(8) -0.002(7) 0.003(7) C149 0.061(10) 0.038(9) 0.036(9) 0.015(7) -0.019(7) -0.005(7) C150 0.006(6) 0.013(6) 0.034(8) 0.002(5) -0.010(5) 0.002(5) C151 0.014(5) 0.005(5) 0.027(6) 0.004(4) -0.002(4) -0.005(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 Pt1 C90 1.925(13) . ? Pt1 P2 2.319(3) . ? Pt1 P1 2.332(3) . ? Pt1 Pt2 2.6401(6) . ? Pt2 C91 1.942(14) . ? Pt2 P3 2.309(3) . ? Pt2 P4 2.313(3) . ? Pt1B C90B 1.896(13) . ? Pt1B P2B 2.321(3) . ? Pt1B P1B 2.331(3) . ? Pt1B Pt2B 2.6480(6) . ? Pt2B C91B 1.908(14) . ? Pt2B P3B 2.293(3) . ? Pt2B P4B 2.304(3) . ? Ru1 C1 1.882(13) . ? Ru1 C2 1.909(12) . ? Ru1 C150 2.061(9) . ? Ru1 C4 2.126(12) . ? Ru1 C3 2.427(12) . ? Ru1 Ru4 2.8384(13) . ? Ru1 Ru2 2.8564(12) . ? Ru1 Ru3 2.9115(12) . ? Ru1 Ru5 2.9476(13) . ? Ru2 C6 1.889(13) . ? Ru2 C5 1.895(14) . ? Ru2 C3 1.939(13) . ? Ru2 C150 2.052(10) . ? Ru2 Ru3 2.8341(14) . ? Ru2 Ru6 2.8550(13) . ? Ru2 Ru5 2.9106(13) . ? Ru3 C8 1.886(14) . ? Ru3 C7 1.914(13) . ? Ru3 C9 1.925(12) . ? Ru3 C150 2.061(12) . ? Ru3 Ru6 2.8812(14) . ? Ru3 Ru4 2.9045(13) . ? Ru4 C10 1.835(14) . ? Ru4 C11 1.892(13) . ? Ru4 C4 2.029(12) . ? Ru4 C150 2.043(10) . ? Ru4 Ru5 2.9164(13) . ? Ru4 Ru6 3.0289(12) . ? Ru5 C12 1.878(13) . ? Ru5 C13 1.886(14) . ? Ru5 C150 2.020(12) . ? Ru5 C16 2.078(11) . ? Ru5 Ru6 2.8208(13) . ? Ru6 C14 1.862(12) . ? Ru6 C15 1.874(13) . ? Ru6 C150 2.036(9) . ? Ru6 C16 2.085(12) . ? Ru6B C14B 1.855(12) . ? Ru6B C18 1.884(12) . ? Ru6B C151 2.069(10) . ? Ru6B C9B 2.162(11) . ? Ru6B C16B 2.281(11) . ? Ru6B Ru3B 2.8149(12) . ? Ru6B Ru5B 2.8257(12) . ? Ru6B Ru2B 2.9591(13) . ? Ru6B Ru4B 2.9607(13) . ? Ru2B C6B 1.871(14) . ? Ru2B C5B 1.886(13) . ? Ru2B C3B 1.980(13) . ? Ru2B C151 2.050(11) . ? Ru2B Ru1B 2.8482(13) . ? Ru2B Ru5B 2.8953(13) . ? Ru2B Ru3B 2.9051(12) . ? Ru3B C8B 1.858(11) . ? Ru3B C7B 1.865(13) . ? Ru3B C9B 2.019(12) . ? Ru3B C151 2.048(10) . ? Ru3B Ru4B 2.9089(13) . ? Ru3B Ru1B 3.0332(12) . ? Ru4B C11B 1.876(13) . ? Ru4B C10B 1.879(12) . ? Ru4B C151 2.022(11) . ? Ru4B C4B 2.051(12) . ? Ru4B Ru1B 2.8242(12) . ? Ru4B Ru5B 2.8526(12) . ? Ru5B C13B 1.895(12) . ? Ru5B C12B 1.901(13) . ? Ru5B C16B 2.008(12) . ? Ru5B C151 2.045(10) . ? Ru5B Ru1B 2.9448(12) . ? Ru1B C1B 1.887(12) . ? Ru1B C2B 1.887(13) . ? Ru1B C151 2.058(10) . ? Ru1B C4B 2.149(12) . ? Ru1B C3B 2.341(13) . ? P1 C39 1.809(11) . ? P1 C33 1.817(11) . ? P1 C45 1.819(11) . ? P2 C64 1.818(11) . ? P2 C58 1.834(11) . ? P2 C70 1.837(11) . ? P3 C46 1.785(10) . ? P3 C45 1.810(10) . ? P3 C52 1.820(11) . ? P4 C71 1.804(11) . ? P4 C70 1.811(11) . ? P4 C77 1.822(11) . ? P2B C58B 1.800(11) . ? P2B C64B 1.817(11) . ? P2B C70B 1.846(10) . ? P1B C33B 1.814(11) . ? P1B C45B 1.826(11) . ? P1B C39B 1.828(11) . ? P4B C77B 1.796(11) . ? P4B C71B 1.826(11) . ? P4B C70B 1.829(10) . ? P3B C52B 1.797(11) . ? P3B C45B 1.814(10) . ? P3B C46B 1.828(10) . ? O1 C1 1.145(13) . ? O2 C2 1.131(13) . ? O3 C3 1.174(13) . ? O4 C4 1.182(13) . ? O5 C5 1.162(13) . ? O6 C6 1.139(13) . ? O7 C7 1.120(13) . ? O8 C8 1.152(13) . ? O9 C9 1.165(13) . ? O10 C10 1.179(13) . ? O11 C11 1.123(13) . ? O12 C12 1.144(13) . ? O13 C13 1.148(13) . ? O14 C14 1.164(12) . ? O15 C15 1.163(12) . ? O16 C16 1.165(13) . ? O14B C14B 1.167(12) . ? O18 C18 1.151(13) . ? O16B C16B 1.152(12) . ? O9B C9B 1.163(12) . ? O5B C5B 1.159(13) . ? O6B C6B 1.166(14) . ? O3B C3B 1.161(13) . ? O7B C7B 1.166(13) . ? O8B C8B 1.166(11) . ? O10B C10B 1.158(12) . ? O11B C11B 1.145(13) . ? O4B C4B 1.162(12) . ? O12B C12B 1.142(13) . ? O13B C13B 1.145(12) . ? O1B C1B 1.134(12) . ? O2B C2B 1.138(12) . ? O90 C90 1.126(13) . ? O91 C91 1.124(14) . ? O90B C90B 1.144(12) . ? O91B C91B 1.147(13) . ? O137 C137 1.244(14) . ? O140 C140 1.221(13) . ? O143 C143 1.217(13) . ? O146 C146 1.216(14) . ? C33 C38 1.374(14) . ? C33 C34 1.408(14) . ? C34 C35 1.380(15) . ? C34 H34 0.9500 . ? C35 C36 1.378(16) . ? C35 H35 0.9500 . ? C36 C37 1.375(16) . ? C36 H36 0.9500 . ? C37 C38 1.387(14) . ? C37 H37 0.9500 . ? C38 H38 0.9500 . ? C39 C44 1.396(15) . ? C39 C40 1.433(15) . ? C40 C41 1.364(15) . ? C40 H40 0.9500 . ? C41 C42 1.389(16) . ? C41 H41 0.9500 . ? C42 C43 1.378(16) . ? C42 H42 0.9500 . ? C43 C44 1.381(15) . ? C43 H43 0.9500 . ? C44 H44 0.9500 . ? C45 H45A 0.9900 . ? C45 H45B 0.9900 . ? C46 C51 1.393(14) . ? C46 C47 1.405(14) . ? C47 C48 1.386(15) . ? C47 H47 0.9500 . ? C48 C49 1.377(17) . ? C48 H48 0.9500 . ? C49 C50 1.369(16) . ? C49 H49 0.9500 . ? C50 C51 1.394(15) . ? C50 H50 0.9500 . ? C51 H51 0.9500 . ? C52 C53 1.401(14) . ? C52 C57 1.408(15) . ? C53 C54 1.382(15) . ? C53 H53 0.9500 . ? C54 C55 1.375(15) . ? C54 H54 0.9500 . ? C55 C56 1.364(15) . ? C55 H55 0.9500 . ? C56 C57 1.390(15) . ? C56 H56 0.9500 . ? C57 H57 0.9500 . ? C58 C63 1.369(14) . ? C58 C59 1.398(14) . ? C59 C60 1.411(14) . ? C59 H59 0.9500 . ? C60 C61 1.374(15) . ? C60 H60 0.9500 . ? C61 C62 1.392(15) . ? C61 H61 0.9500 . ? C62 C63 1.389(14) . ? C62 H62 0.9500 . ? C63 H63 0.9500 . ? C64 C65 1.392(14) . ? C64 C69 1.397(14) . ? C65 C66 1.373(15) . ? C65 H65 0.9500 . ? C66 C67 1.380(15) . ? C66 H66 0.9500 . ? C67 C68 1.375(14) . ? C67 H67 0.9500 . ? C68 C69 1.394(14) . ? C68 H68 0.9500 . ? C69 H69 0.9500 . ? C70 H70A 0.9900 . ? C70 H70B 0.9900 . ? C71 C72 1.374(14) . ? C71 C76 1.407(14) . ? C72 C73 1.412(15) . ? C72 H72 0.9500 . ? C73 C74 1.367(15) . ? C73 H73 0.9500 . ? C74 C75 1.393(16) . ? C74 H74 0.9500 . ? C75 C76 1.360(15) . ? C75 H75 0.9500 . ? C76 H76 0.9500 . ? C77 C82 1.385(15) . ? C77 C78 1.395(14) . ? C78 C79 1.374(15) . ? C78 H78 0.9500 . ? C79 C80 1.381(16) . ? C79 H79 0.9500 . ? C80 C81 1.384(15) . ? C80 H80 0.9500 . ? C81 C82 1.375(15) . ? C81 H81 0.9500 . ? C82 H82 0.9500 . ? C64B C69B 1.383(15) . ? C64B C65B 1.410(13) . ? C65B C66B 1.390(15) . ? C65B H65B 0.9500 . ? C66B C67B 1.391(15) . ? C66B H66B 0.9500 . ? C67B C68B 1.367(14) . ? C67B H67B 0.9500 . ? C68B C69B 1.374(14) . ? C68B H68B 0.9500 . ? C69B H69B 0.9500 . ? C58B C63B 1.374(15) . ? C58B C59B 1.406(15) . ? C59B C60B 1.378(16) . ? C59B H59B 0.9500 . ? C60B C61B 1.381(17) . ? C60B H60B 0.9500 . ? C61B C62B 1.357(18) . ? C61B H61B 0.9500 . ? C62B C63B 1.370(16) . ? C62B H62B 0.9500 . ? C63B H63B 0.9500 . ? C70B H70D 0.9900 . ? C70B H70C 0.9900 . ? C77B C82B 1.390(13) . ? C77B C78B 1.413(14) . ? C82B C81B 1.384(15) . ? C82B H82B 0.9500 . ? C81B C80B 1.370(15) . ? C81B H81B 0.9500 . ? C80B C79B 1.404(14) . ? C80B H80B 0.9500 . ? C79B C78B 1.355(15) . ? C79B H79B 0.9500 . ? C78B H78B 0.9500 . ? C71B C72B 1.371(15) . ? C71B C76B 1.411(15) . ? C76B C75B 1.361(14) . ? C76B H76B 0.9500 . ? C75B C74B 1.399(16) . ? C75B H75B 0.9500 . ? C74B C73B 1.387(16) . ? C74B H74B 0.9500 . ? C73B C72B 1.356(14) . ? C73B H73B 0.9500 . ? C72B H72B 0.9500 . ? C33B C34B 1.392(14) . ? C33B C38B 1.402(14) . ? C34B C35B 1.404(14) . ? C34B H34B 0.9500 . ? C35B C36B 1.353(14) . ? C35B H35B 0.9500 . ? C36B C37B 1.383(15) . ? C36B H36B 0.9500 . ? C37B C38B 1.396(14) . ? C37B H37B 0.9500 . ? C38B H38B 0.9500 . ? C39B C44B 1.372(15) . ? C39B C40B 1.380(15) . ? C44B C43B 1.381(15) . ? C44B H44B 0.9500 . ? C43B C42B 1.356(14) . ? C43B H43B 0.9500 . ? C42B C41B 1.350(16) . ? C42B H42B 0.9500 . ? C41B C40B 1.398(17) . ? C41B H41B 0.9500 . ? C40B H40B 0.9500 . ? C45B H45D 0.9900 . ? C45B H45C 0.9900 . ? C46B C47B 1.367(15) . ? C46B C51B 1.379(16) . ? C47B C48B 1.400(17) . ? C47B H47B 0.9500 . ? C48B C49B 1.307(16) . ? C48B H48B 0.9500 . ? C49B C50B 1.381(16) . ? C49B H49B 0.9500 . ? C50B C51B 1.428(17) . ? C50B H50B 0.9500 . ? C51B H56B 0.9500 . ? C52B C57B 1.384(15) . ? C52B C53B 1.385(14) . ? C57B C56B 1.391(16) . ? C57B H57B 0.9500 . ? C56B C55B 1.358(15) . ? C56B H129 0.9500 . ? C55B C54B 1.371(16) . ? C55B H55B 0.9500 . ? C54B C53B 1.400(15) . ? C54B H54B 0.9500 . ? C53B H53B 0.9500 . ? C137 C138 1.485(16) . ? C137 C139 1.505(16) . ? C138 H13A 0.9800 . ? C138 H13B 0.9800 . ? C138 H13C 0.9800 . ? C139 H13D 0.9800 . ? C139 H13E 0.9800 . ? C139 H13F 0.9800 . ? C140 C141 1.488(17) . ? C140 C142 1.502(16) . ? C141 H14A 0.9800 . ? C141 H14B 0.9800 . ? C141 H14C 0.9800 . ? C142 H14D 0.9800 . ? C142 H14E 0.9800 . ? C142 H14F 0.9800 . ? C143 C145 1.481(16) . ? C143 C144 1.506(17) . ? C144 H14G 0.9800 . ? C144 H14H 0.9800 . ? C144 H14I 0.9800 . ? C145 H14J 0.9800 . ? C145 H14K 0.9800 . ? C145 H14L 0.9800 . ? C146 C148 1.483(16) . ? C146 C149 1.498(16) . ? C148 H14M 0.9800 . ? C148 H14N 0.9800 . ? C148 H14O 0.9800 . ? C149 H14P 0.9800 . ? C149 H14Q 0.9800 . ? C149 H14R 0.9800 . ? 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 C90 Pt1 P2 91.6(3) . . ? C90 Pt1 P1 90.9(3) . . ? P2 Pt1 P1 177.10(10) . . ? C90 Pt1 Pt2 177.5(3) . . ? P2 Pt1 Pt2 89.23(7) . . ? P1 Pt1 Pt2 88.25(7) . . ? C91 Pt2 P3 96.6(3) . . ? C91 Pt2 P4 93.1(3) . . ? P3 Pt2 P4 170.10(11) . . ? C91 Pt2 Pt1 176.9(4) . . ? P3 Pt2 Pt1 84.21(8) . . ? P4 Pt2 Pt1 86.17(8) . . ? C90B Pt1B P2B 90.8(3) . . ? C90B Pt1B P1B 91.0(3) . . ? P2B Pt1B P1B 178.14(10) . . ? C90B Pt1B Pt2B 177.8(3) . . ? P2B Pt1B Pt2B 88.31(7) . . ? P1B Pt1B Pt2B 89.87(7) . . ? C91B Pt2B P3B 95.5(3) . . ? C91B Pt2B P4B 93.4(3) . . ? P3B Pt2B P4B 171.07(11) . . ? C91B Pt2B Pt1B 176.5(3) . . ? P3B Pt2B Pt1B 85.33(7) . . ? P4B Pt2B Pt1B 85.80(7) . . ? C1 Ru1 C2 97.1(5) . . ? C1 Ru1 C150 121.9(5) . . ? C2 Ru1 C150 140.1(5) . . ? C1 Ru1 C4 93.7(5) . . ? C2 Ru1 C4 94.6(5) . . ? C150 Ru1 C4 91.2(4) . . ? C1 Ru1 C3 87.4(5) . . ? C2 Ru1 C3 85.7(5) . . ? C150 Ru1 C3 87.9(4) . . ? C4 Ru1 C3 178.9(4) . . ? C1 Ru1 Ru4 118.6(4) . . ? C2 Ru1 Ru4 124.0(3) . . ? C150 Ru1 Ru4 46.0(3) . . ? C4 Ru1 Ru4 45.5(3) . . ? C3 Ru1 Ru4 133.5(3) . . ? C1 Ru1 Ru2 106.6(4) . . ? C2 Ru1 Ru2 119.1(3) . . ? C150 Ru1 Ru2 45.9(3) . . ? C4 Ru1 Ru2 137.0(3) . . ? C3 Ru1 Ru2 42.1(3) . . ? Ru4 Ru1 Ru2 91.85(4) . . ? C1 Ru1 Ru3 164.5(4) . . ? C2 Ru1 Ru3 95.1(3) . . ? C150 Ru1 Ru3 45.1(3) . . ? C4 Ru1 Ru3 94.8(3) . . ? C3 Ru1 Ru3 84.1(3) . . ? Ru4 Ru1 Ru3 60.67(3) . . ? Ru2 Ru1 Ru3 58.85(3) . . ? C1 Ru1 Ru5 79.1(4) . . ? C2 Ru1 Ru5 175.4(3) . . ? C150 Ru1 Ru5 43.2(3) . . ? C4 Ru1 Ru5 88.2(3) . . ? C3 Ru1 Ru5 91.5(3) . . ? Ru4 Ru1 Ru5 60.50(3) . . ? Ru2 Ru1 Ru5 60.17(3) . . ? Ru3 Ru1 Ru5 88.25(3) . . ? C6 Ru2 C5 91.0(5) . . ? C6 Ru2 C3 101.3(5) . . ? C5 Ru2 C3 100.6(5) . . ? C6 Ru2 C150 125.5(5) . . ? C5 Ru2 C150 130.3(5) . . ? C3 Ru2 C150 103.0(4) . . ? C6 Ru2 Ru3 83.2(4) . . ? C5 Ru2 Ru3 163.4(3) . . ? C3 Ru2 Ru3 95.8(4) . . ? C150 Ru2 Ru3 46.6(3) . . ? C6 Ru2 Ru6 97.1(4) . . ? C5 Ru2 Ru6 104.8(3) . . ? C3 Ru2 Ru6 148.2(4) . . ? C150 Ru2 Ru6 45.5(3) . . ? Ru3 Ru2 Ru6 60.85(3) . . ? C6 Ru2 Ru1 133.2(4) . . ? C5 Ru2 Ru1 130.9(3) . . ? C3 Ru2 Ru1 57.0(4) . . ? C150 Ru2 Ru1 46.1(3) . . ? Ru3 Ru2 Ru1 61.54(3) . . ? Ru6 Ru2 Ru1 91.60(4) . . ? C6 Ru2 Ru5 154.4(4) . . ? C5 Ru2 Ru5 88.1(3) . . ? C3 Ru2 Ru5 104.0(4) . . ? C150 Ru2 Ru5 43.9(3) . . ? Ru3 Ru2 Ru5 90.47(4) . . ? Ru6 Ru2 Ru5 58.57(3) . . ? Ru1 Ru2 Ru5 61.47(3) . . ? C8 Ru3 C7 91.5(5) . . ? C8 Ru3 C9 91.5(5) . . ? C7 Ru3 C9 105.5(5) . . ? C8 Ru3 C150 132.6(5) . . ? C7 Ru3 C150 121.9(4) . . ? C9 Ru3 C150 108.2(5) . . ? C8 Ru3 Ru2 174.8(4) . . ? C7 Ru3 Ru2 86.1(3) . . ? C9 Ru3 Ru2 93.6(4) . . ? C150 Ru3 Ru2 46.3(3) . . ? C8 Ru3 Ru6 123.7(4) . . ? C7 Ru3 Ru6 142.1(4) . . ? C9 Ru3 Ru6 64.1(4) . . ? C150 Ru3 Ru6 45.0(3) . . ? Ru2 Ru3 Ru6 59.93(3) . . ? C8 Ru3 Ru4 87.9(4) . . ? C7 Ru3 Ru4 139.6(3) . . ? C9 Ru3 Ru4 114.9(4) . . ? C150 Ru3 Ru4 44.7(3) . . ? Ru2 Ru3 Ru4 90.94(4) . . ? Ru6 Ru3 Ru4 63.14(3) . . ? C8 Ru3 Ru1 115.7(3) . . ? C7 Ru3 Ru1 86.1(3) . . ? C9 Ru3 Ru1 150.5(4) . . ? C150 Ru3 Ru1 45.1(3) . . ? Ru2 Ru3 Ru1 59.60(3) . . ? Ru6 Ru3 Ru1 89.96(4) . . ? Ru4 Ru3 Ru1 58.42(3) . . ? C10 Ru4 C11 87.5(5) . . ? C10 Ru4 C4 98.5(5) . . ? C11 Ru4 C4 98.9(5) . . ? C10 Ru4 C150 136.5(5) . . ? C11 Ru4 C150 131.0(5) . . ? C4 Ru4 C150 94.6(4) . . ? C10 Ru4 Ru1 126.9(4) . . ? C11 Ru4 Ru1 130.9(3) . . ? C4 Ru4 Ru1 48.4(3) . . ? C150 Ru4 Ru1 46.5(3) . . ? C10 Ru4 Ru3 91.9(4) . . ? C11 Ru4 Ru3 163.8(4) . . ? C4 Ru4 Ru3 97.2(4) . . ? C150 Ru4 Ru3 45.2(3) . . ? Ru1 Ru4 Ru3 60.91(3) . . ? C10 Ru4 Ru5 170.3(4) . . ? C11 Ru4 Ru5 88.9(3) . . ? C4 Ru4 Ru5 91.0(3) . . ? C150 Ru4 Ru5 43.8(3) . . ? Ru1 Ru4 Ru5 61.60(3) . . ? Ru3 Ru4 Ru5 88.98(4) . . ? C10 Ru4 Ru6 116.1(4) . . ? C11 Ru4 Ru6 107.9(4) . . ? C4 Ru4 Ru6 136.3(3) . . ? C150 Ru4 Ru6 42.0(3) . . ? Ru1 Ru4 Ru6 88.45(3) . . ? Ru3 Ru4 Ru6 58.06(3) . . ? Ru5 Ru4 Ru6 56.61(3) . . ? C12 Ru5 C13 90.0(5) . . ? C12 Ru5 C150 131.6(4) . . ? C13 Ru5 C150 134.1(4) . . ? C12 Ru5 C16 98.4(5) . . ? C13 Ru5 C16 99.1(5) . . ? C150 Ru5 C16 93.5(4) . . ? C12 Ru5 Ru6 129.3(3) . . ? C13 Ru5 Ru6 126.1(3) . . ? C150 Ru5 Ru6 46.2(3) . . ? C16 Ru5 Ru6 47.5(3) . . ? C12 Ru5 Ru2 166.9(3) . . ? C13 Ru5 Ru2 90.1(3) . . ? C150 Ru5 Ru2 44.8(3) . . ? C16 Ru5 Ru2 94.5(3) . . ? Ru6 Ru5 Ru2 59.73(3) . . ? C12 Ru5 Ru4 87.9(3) . . ? C13 Ru5 Ru4 167.4(3) . . ? C150 Ru5 Ru4 44.5(3) . . ? C16 Ru5 Ru4 93.5(3) . . ? Ru6 Ru5 Ru4 63.71(3) . . ? Ru2 Ru5 Ru4 89.20(4) . . ? C12 Ru5 Ru1 109.6(3) . . ? C13 Ru5 Ru1 111.5(4) . . ? C150 Ru5 Ru1 44.3(3) . . ? C16 Ru5 Ru1 137.8(3) . . ? Ru6 Ru5 Ru1 90.42(4) . . ? Ru2 Ru5 Ru1 58.36(3) . . ? Ru4 Ru5 Ru1 57.90(3) . . ? C14 Ru6 C15 97.7(5) . . ? C14 Ru6 C150 129.9(4) . . ? C15 Ru6 C150 130.6(5) . . ? C14 Ru6 C16 89.6(5) . . ? C15 Ru6 C16 100.7(5) . . ? C150 Ru6 C16 92.8(4) . . ? C14 Ru6 Ru5 115.1(4) . . ? C15 Ru6 Ru5 130.5(4) . . ? C150 Ru6 Ru5 45.7(3) . . ? C16 Ru6 Ru5 47.2(3) . . ? C14 Ru6 Ru2 84.1(3) . . ? C15 Ru6 Ru2 163.2(4) . . ? C150 Ru6 Ru2 45.9(3) . . ? C16 Ru6 Ru2 96.0(3) . . ? Ru5 Ru6 Ru2 61.70(3) . . ? C14 Ru6 Ru3 117.2(4) . . ? C15 Ru6 Ru3 105.9(4) . . ? C150 Ru6 Ru3 45.7(3) . . ? C16 Ru6 Ru3 138.4(3) . . ? Ru5 Ru6 Ru3 91.35(4) . . ? Ru2 Ru6 Ru3 59.22(3) . . ? C14 Ru6 Ru4 172.1(3) . . ? C15 Ru6 Ru4 90.1(3) . . ? C150 Ru6 Ru4 42.1(3) . . ? C16 Ru6 Ru4 90.2(3) . . ? Ru5 Ru6 Ru4 59.68(3) . . ? Ru2 Ru6 Ru4 88.06(3) . . ? Ru3 Ru6 Ru4 58.81(3) . . ? C14B Ru6B C18 99.7(4) . . ? C14B Ru6B C151 132.0(4) . . ? C18 Ru6B C151 127.9(4) . . ? C14B Ru6B C9B 92.5(5) . . ? C18 Ru6B C9B 92.5(5) . . ? C151 Ru6B C9B 91.3(4) . . ? C14B Ru6B C16B 86.4(4) . . ? C18 Ru6B C16B 86.6(4) . . ? C151 Ru6B C16B 90.2(4) . . ? C9B Ru6B C16B 178.5(4) . . ? C14B Ru6B Ru3B 126.3(3) . . ? C18 Ru6B Ru3B 111.6(3) . . ? C151 Ru6B Ru3B 46.6(3) . . ? C9B Ru6B Ru3B 45.6(3) . . ? C16B Ru6B Ru3B 136.0(3) . . ? C14B Ru6B Ru5B 109.4(3) . . ? C18 Ru6B Ru5B 118.5(3) . . ? C151 Ru6B Ru5B 46.3(3) . . ? C9B Ru6B Ru5B 136.7(3) . . ? C16B Ru6B Ru5B 44.8(3) . . ? Ru3B Ru6B Ru5B 92.83(4) . . ? C14B Ru6B Ru2B 89.1(3) . . ? C18 Ru6B Ru2B 170.8(3) . . ? C151 Ru6B Ru2B 43.8(3) . . ? C9B Ru6B Ru2B 84.4(3) . . ? C16B Ru6B Ru2B 96.6(3) . . ? Ru3B Ru6B Ru2B 60.35(3) . . ? Ru5B Ru6B Ru2B 60.01(3) . . ? C14B Ru6B Ru4B 168.1(3) . . ? C18 Ru6B Ru4B 85.0(3) . . ? C151 Ru6B Ru4B 43.0(3) . . ? C9B Ru6B Ru4B 98.2(3) . . ? C16B Ru6B Ru4B 83.0(3) . . ? Ru3B Ru6B Ru4B 60.42(3) . . ? Ru5B Ru6B Ru4B 59.02(3) . . ? Ru2B Ru6B Ru4B 86.83(3) . . ? C6B Ru2B C5B 90.2(5) . . ? C6B Ru2B C3B 97.0(5) . . ? C5B Ru2B C3B 98.3(5) . . ? C6B Ru2B C151 129.4(5) . . ? C5B Ru2B C151 132.6(5) . . ? C3B Ru2B C151 100.7(5) . . ? C6B Ru2B Ru1B 127.8(4) . . ? C5B Ru2B Ru1B 132.1(3) . . ? C3B Ru2B Ru1B 54.5(4) . . ? C151 Ru2B Ru1B 46.2(3) . . ? C6B Ru2B Ru5B 164.3(4) . . ? C5B Ru2B Ru5B 89.6(4) . . ? C3B Ru2B Ru5B 98.5(4) . . ? C151 Ru2B Ru5B 44.9(3) . . ? Ru1B Ru2B Ru5B 61.68(3) . . ? C6B Ru2B Ru3B 85.4(4) . . ? C5B Ru2B Ru3B 160.1(3) . . ? C3B Ru2B Ru3B 101.5(3) . . ? C151 Ru2B Ru3B 44.8(3) . . ? Ru1B Ru2B Ru3B 63.62(3) . . ? Ru5B Ru2B Ru3B 89.57(4) . . ? C6B Ru2B Ru6B 107.5(4) . . ? C5B Ru2B Ru6B 106.1(4) . . ? C3B Ru2B Ru6B 145.0(4) . . ? C151 Ru2B Ru6B 44.3(3) . . ? Ru1B Ru2B Ru6B 90.53(4) . . ? Ru5B Ru2B Ru6B 57.71(3) . . ? Ru3B Ru2B Ru6B 57.36(3) . . ? C8B Ru3B C7B 90.3(5) . . ? C8B Ru3B C9B 90.1(5) . . ? C7B Ru3B C9B 102.1(5) . . ? C8B Ru3B C151 133.5(4) . . ? C7B Ru3B C151 132.5(4) . . ? C9B Ru3B C151 96.2(4) . . ? C8B Ru3B Ru6B 115.3(3) . . ? C7B Ru3B Ru6B 138.9(4) . . ? C9B Ru3B Ru6B 49.9(3) . . ? C151 Ru3B Ru6B 47.2(3) . . ? C8B Ru3B Ru2B 177.6(3) . . ? C7B Ru3B Ru2B 91.9(3) . . ? C9B Ru3B Ru2B 88.4(3) . . ? C151 Ru3B Ru2B 44.9(3) . . ? Ru6B Ru3B Ru2B 62.28(3) . . ? C8B Ru3B Ru4B 89.6(3) . . ? C7B Ru3B Ru4B 154.5(4) . . ? C9B Ru3B Ru4B 103.4(3) . . ? C151 Ru3B Ru4B 44.0(3) . . ? Ru6B Ru3B Ru4B 62.27(3) . . ? Ru2B Ru3B Ru4B 88.82(3) . . ? C8B Ru3B Ru1B 123.1(3) . . ? C7B Ru3B Ru1B 103.0(4) . . ? C9B Ru3B Ru1B 137.7(3) . . ? C151 Ru3B Ru1B 42.5(3) . . ? Ru6B Ru3B Ru1B 89.67(3) . . ? Ru2B Ru3B Ru1B 57.28(3) . . ? Ru4B Ru3B Ru1B 56.71(3) . . ? C11B Ru4B C10B 91.0(5) . . ? C11B Ru4B C151 129.2(4) . . ? C10B Ru4B C151 134.8(5) . . ? C11B Ru4B C4B 103.0(5) . . ? C10B Ru4B C4B 94.0(4) . . ? C151 Ru4B C4B 95.6(4) . . ? C11B Ru4B Ru1B 134.6(3) . . ? C10B Ru4B Ru1B 121.6(3) . . ? C151 Ru4B Ru1B 46.7(3) . . ? C4B Ru4B Ru1B 49.2(3) . . ? C11B Ru4B Ru5B 86.8(3) . . ? C10B Ru4B Ru5B 175.5(3) . . ? C151 Ru4B Ru5B 45.8(3) . . ? C4B Ru4B Ru5B 90.3(3) . . ? Ru1B Ru4B Ru5B 62.49(3) . . ? C11B Ru4B Ru3B 154.5(4) . . ? C10B Ru4B Ru3B 90.0(3) . . ? C151 Ru4B Ru3B 44.7(3) . . ? C4B Ru4B Ru3B 102.4(4) . . ? Ru1B Ru4B Ru3B 63.86(3) . . ? Ru5B Ru4B Ru3B 90.33(4) . . ? C11B Ru4B Ru6B 100.5(3) . . ? C10B Ru4B Ru6B 118.6(3) . . ? C151 Ru4B Ru6B 44.3(3) . . ? C4B Ru4B Ru6B 139.2(3) . . ? Ru1B Ru4B Ru6B 90.97(4) . . ? Ru5B Ru4B Ru6B 58.13(3) . . ? Ru3B Ru4B Ru6B 57.31(3) . . ? C13B Ru5B C12B 92.0(5) . . ? C13B Ru5B C16B 97.5(4) . . ? C12B Ru5B C16B 98.7(5) . . ? C13B Ru5B C151 134.1(5) . . ? C12B Ru5B C151 126.9(4) . . ? C16B Ru5B C151 99.1(4) . . ? C13B Ru5B Ru6B 123.8(3) . . ? C12B Ru5B Ru6B 133.9(3) . . ? C16B Ru5B Ru6B 53.1(3) . . ? C151 Ru5B Ru6B 47.0(3) . . ? C13B Ru5B Ru4B 171.6(3) . . ? C12B Ru5B Ru4B 85.1(3) . . ? C16B Ru5B Ru4B 90.8(3) . . ? C151 Ru5B Ru4B 45.1(3) . . ? Ru6B Ru5B Ru4B 62.85(3) . . ? C13B Ru5B Ru2B 89.2(4) . . ? C12B Ru5B Ru2B 155.5(3) . . ? C16B Ru5B Ru2B 105.4(3) . . ? C151 Ru5B Ru2B 45.1(3) . . ? Ru6B Ru5B Ru2B 62.28(3) . . ? Ru4B Ru5B Ru2B 90.12(3) . . ? C13B Ru5B Ru1B 114.6(3) . . ? C12B Ru5B Ru1B 99.3(3) . . ? C16B Ru5B Ru1B 142.3(3) . . ? C151 Ru5B Ru1B 44.3(3) . . ? Ru6B Ru5B Ru1B 91.27(3) . . ? Ru4B Ru5B Ru1B 58.28(3) . . ? Ru2B Ru5B Ru1B 58.37(3) . . ? C1B Ru1B C2B 92.7(5) . . ? C1B Ru1B C151 138.0(5) . . ? C2B Ru1B C151 129.2(4) . . ? C1B Ru1B C4B 89.7(5) . . ? C2B Ru1B C4B 92.3(5) . . ? C151 Ru1B C4B 91.6(4) . . ? C1B Ru1B C3B 84.3(5) . . ? C2B Ru1B C3B 93.0(5) . . ? C151 Ru1B C3B 89.5(4) . . ? C4B Ru1B C3B 172.2(4) . . ? C1B Ru1B Ru4B 125.7(4) . . ? C2B Ru1B Ru4B 114.9(3) . . ? C151 Ru1B Ru4B 45.7(3) . . ? C4B Ru1B Ru4B 46.3(3) . . ? C3B Ru1B Ru4B 135.1(3) . . ? C1B Ru1B Ru2B 116.3(4) . . ? C2B Ru1B Ru2B 118.1(3) . . ? C151 Ru1B Ru2B 46.0(3) . . ? C4B Ru1B Ru2B 137.1(3) . . ? C3B Ru1B Ru2B 43.5(3) . . ? Ru4B Ru1B Ru2B 91.66(4) . . ? C1B Ru1B Ru5B 94.3(4) . . ? C2B Ru1B Ru5B 172.8(3) . . ? C151 Ru1B Ru5B 44.0(3) . . ? C4B Ru1B Ru5B 86.0(3) . . ? C3B Ru1B Ru5B 89.4(3) . . ? Ru4B Ru1B Ru5B 59.22(3) . . ? Ru2B Ru1B Ru5B 59.94(3) . . ? C1B Ru1B Ru3B 174.2(4) . . ? C2B Ru1B Ru3B 87.0(3) . . ? C151 Ru1B Ru3B 42.3(3) . . ? C4B Ru1B Ru3B 96.2(3) . . ? C3B Ru1B Ru3B 89.9(3) . . ? Ru4B Ru1B Ru3B 59.43(3) . . ? Ru2B Ru1B Ru3B 59.10(3) . . ? Ru5B Ru1B Ru3B 86.22(3) . . ? C39 P1 C33 102.6(5) . . ? C39 P1 C45 106.0(5) . . ? C33 P1 C45 111.0(5) . . ? C39 P1 Pt1 114.5(4) . . ? C33 P1 Pt1 108.8(3) . . ? C45 P1 Pt1 113.4(3) . . ? C64 P2 C58 105.0(5) . . ? C64 P2 C70 105.2(5) . . ? C58 P2 C70 106.9(5) . . ? C64 P2 Pt1 113.0(4) . . ? C58 P2 Pt1 111.8(3) . . ? C70 P2 Pt1 114.3(3) . . ? C46 P3 C45 106.6(5) . . ? C46 P3 C52 105.1(5) . . ? C45 P3 C52 106.2(5) . . ? C46 P3 Pt2 115.5(3) . . ? C45 P3 Pt2 103.9(3) . . ? C52 P3 Pt2 118.6(3) . . ? C71 P4 C70 107.3(5) . . ? C71 P4 C77 102.1(5) . . ? C70 P4 C77 106.0(5) . . ? C71 P4 Pt2 116.8(4) . . ? C70 P4 Pt2 104.3(4) . . ? C77 P4 Pt2 119.5(4) . . ? C58B P2B C64B 103.8(5) . . ? C58B P2B C70B 108.5(5) . . ? C64B P2B C70B 104.0(5) . . ? C58B P2B Pt1B 111.4(3) . . ? C64B P2B Pt1B 114.0(4) . . ? C70B P2B Pt1B 114.3(3) . . ? C33B P1B C45B 105.7(5) . . ? C33B P1B C39B 103.8(5) . . ? C45B P1B C39B 108.8(5) . . ? C33B P1B Pt1B 112.9(3) . . ? C45B P1B Pt1B 113.0(3) . . ? C39B P1B Pt1B 112.1(3) . . ? C77B P4B C71B 105.9(5) . . ? C77B P4B C70B 109.6(5) . . ? C71B P4B C70B 103.1(4) . . ? C77B P4B Pt2B 115.4(4) . . ? C71B P4B Pt2B 119.3(4) . . ? C70B P4B Pt2B 102.5(3) . . ? C52B P3B C45B 106.3(5) . . ? C52B P3B C46B 104.3(5) . . ? C45B P3B C46B 105.6(5) . . ? C52B P3B Pt2B 116.7(4) . . ? C45B P3B Pt2B 105.1(4) . . ? C46B P3B Pt2B 117.8(4) . . ? O1 C1 Ru1 175.6(11) . . ? O2 C2 Ru1 177.4(11) . . ? O3 C3 Ru2 154.8(10) . . ? O3 C3 Ru1 124.3(9) . . ? Ru2 C3 Ru1 80.9(4) . . ? O4 C4 Ru4 139.3(9) . . ? O4 C4 Ru1 134.5(9) . . ? Ru4 C4 Ru1 86.1(5) . . ? O5 C5 Ru2 174.9(10) . . ? O6 C6 Ru2 177.0(12) . . ? O7 C7 Ru3 175.9(11) . . ? O8 C8 Ru3 177.2(11) . . ? O9 C9 Ru3 164.0(11) . . ? O10 C10 Ru4 176.4(11) . . ? O11 C11 Ru4 178.1(11) . . ? O12 C12 Ru5 176.5(10) . . ? O13 C13 Ru5 176.1(10) . . ? O14 C14 Ru6 175.8(11) . . ? O15 C15 Ru6 174.5(11) . . ? O16 C16 Ru5 137.6(9) . . ? O16 C16 Ru6 137.1(9) . . ? Ru5 C16 Ru6 85.3(4) . . ? O14B C14B Ru6B 177.0(10) . . ? O18 C18 Ru6B 178.2(10) . . ? O16B C16B Ru5B 147.2(9) . . ? O16B C16B Ru6B 130.6(8) . . ? Ru5B C16B Ru6B 82.1(4) . . ? O9B C9B Ru3B 141.5(9) . . ? O9B C9B Ru6B 133.8(9) . . ? Ru3B C9B Ru6B 84.6(4) . . ? O5B C5B Ru2B 178.4(11) . . ? O6B C6B Ru2B 178.2(11) . . ? O3B C3B Ru2B 150.6(10) . . ? O3B C3B Ru1B 127.4(9) . . ? Ru2B C3B Ru1B 82.0(5) . . ? O7B C7B Ru3B 177.4(11) . . ? O8B C8B Ru3B 175.2(9) . . ? O10B C10B Ru4B 175.2(10) . . ? O11B C11B Ru4B 176.1(11) . . ? O4B C4B Ru4B 140.3(9) . . ? O4B C4B Ru1B 135.1(9) . . ? Ru4B C4B Ru1B 84.5(5) . . ? O12B C12B Ru5B 179.8(12) . . ? O13B C13B Ru5B 175.2(11) . . ? O1B C1B Ru1B 178.3(12) . . ? O2B C2B Ru1B 177.9(10) . . ? C38 C33 C34 119.2(10) . . ? C38 C33 P1 117.9(9) . . ? C34 C33 P1 122.5(8) . . ? C35 C34 C33 118.3(11) . . ? C35 C34 H34 120.8 . . ? C33 C34 H34 120.8 . . ? C36 C35 C34 121.9(12) . . ? C36 C35 H35 119.1 . . ? C34 C35 H35 119.1 . . ? C37 C36 C35 119.8(12) . . ? C37 C36 H36 120.1 . . ? C35 C36 H36 120.1 . . ? C36 C37 C38 119.1(11) . . ? C36 C37 H37 120.5 . . ? C38 C37 H37 120.5 . . ? C33 C38 C37 121.6(11) . . ? C33 C38 H38 119.2 . . ? C37 C38 H38 119.2 . . ? C44 C39 C40 118.4(10) . . ? C44 C39 P1 121.2(9) . . ? C40 C39 P1 120.4(8) . . ? C41 C40 C39 119.2(11) . . ? C41 C40 H40 120.4 . . ? C39 C40 H40 120.4 . . ? C40 C41 C42 121.4(11) . . ? C40 C41 H41 119.3 . . ? C42 C41 H41 119.3 . . ? C43 C42 C41 120.0(12) . . ? C43 C42 H42 120.0 . . ? C41 C42 H42 120.0 . . ? C42 C43 C44 119.9(12) . . ? C42 C43 H43 120.1 . . ? C44 C43 H43 120.1 . . ? C43 C44 C39 121.0(11) . . ? C43 C44 H44 119.5 . . ? C39 C44 H44 119.5 . . ? P3 C45 P1 106.7(5) . . ? P3 C45 H45A 110.4 . . ? P1 C45 H45A 110.4 . . ? P3 C45 H45B 110.4 . . ? P1 C45 H45B 110.4 . . ? H45A C45 H45B 108.6 . . ? C51 C46 C47 117.5(10) . . ? C51 C46 P3 121.2(8) . . ? C47 C46 P3 121.1(8) . . ? C48 C47 C46 120.9(11) . . ? C48 C47 H47 119.6 . . ? C46 C47 H47 119.6 . . ? C49 C48 C47 119.6(12) . . ? C49 C48 H48 120.2 . . ? C47 C48 H48 120.2 . . ? C50 C49 C48 121.4(12) . . ? C50 C49 H49 119.3 . . ? C48 C49 H49 119.3 . . ? C49 C50 C51 118.9(11) . . ? C49 C50 H50 120.5 . . ? C51 C50 H50 120.5 . . ? C46 C51 C50 121.6(11) . . ? C46 C51 H51 119.2 . . ? C50 C51 H51 119.2 . . ? C53 C52 C57 120.2(10) . . ? C53 C52 P3 119.9(9) . . ? C57 C52 P3 119.9(9) . . ? C54 C53 C52 119.0(11) . . ? C54 C53 H53 120.5 . . ? C52 C53 H53 120.5 . . ? C55 C54 C53 121.2(11) . . ? C55 C54 H54 119.4 . . ? C53 C54 H54 119.4 . . ? C56 C55 C54 119.7(11) . . ? C56 C55 H55 120.2 . . ? C54 C55 H55 120.2 . . ? C55 C56 C57 121.9(11) . . ? C55 C56 H56 119.1 . . ? C57 C56 H56 119.1 . . ? C56 C57 C52 118.0(11) . . ? C56 C57 H57 121.0 . . ? C52 C57 H57 121.0 . . ? C63 C58 C59 120.6(10) . . ? C63 C58 P2 118.4(9) . . ? C59 C58 P2 121.0(8) . . ? C58 C59 C60 118.6(11) . . ? C58 C59 H59 120.7 . . ? C60 C59 H59 120.7 . . ? C61 C60 C59 120.2(11) . . ? C61 C60 H60 119.9 . . ? C59 C60 H60 119.9 . . ? C60 C61 C62 120.6(11) . . ? C60 C61 H61 119.7 . . ? C62 C61 H61 119.7 . . ? C63 C62 C61 119.2(11) . . ? C63 C62 H62 120.4 . . ? C61 C62 H62 120.4 . . ? C58 C63 C62 120.8(11) . . ? C58 C63 H63 119.6 . . ? C62 C63 H63 119.6 . . ? C65 C64 C69 118.2(10) . . ? C65 C64 P2 121.8(9) . . ? C69 C64 P2 120.0(8) . . ? C66 C65 C64 121.2(11) . . ? C66 C65 H65 119.4 . . ? C64 C65 H65 119.4 . . ? C65 C66 C67 119.9(10) . . ? C65 C66 H66 120.0 . . ? C67 C66 H66 120.0 . . ? C68 C67 C66 120.5(11) . . ? C68 C67 H67 119.8 . . ? C66 C67 H67 119.8 . . ? C67 C68 C69 119.7(11) . . ? C67 C68 H68 120.2 . . ? C69 C68 H68 120.2 . . ? C68 C69 C64 120.5(10) . . ? C68 C69 H69 119.8 . . ? C64 C69 H69 119.8 . . ? P4 C70 P2 106.7(6) . . ? P4 C70 H70A 110.4 . . ? P2 C70 H70A 110.4 . . ? P4 C70 H70B 110.4 . . ? P2 C70 H70B 110.4 . . ? H70A C70 H70B 108.6 . . ? C72 C71 C76 120.2(11) . . ? C72 C71 P4 120.2(9) . . ? C76 C71 P4 119.5(8) . . ? C71 C72 C73 118.3(11) . . ? C71 C72 H72 120.9 . . ? C73 C72 H72 120.9 . . ? C74 C73 C72 120.7(11) . . ? C74 C73 H73 119.6 . . ? C72 C73 H73 119.6 . . ? C73 C74 C75 120.6(11) . . ? C73 C74 H74 119.7 . . ? C75 C74 H74 119.7 . . ? C76 C75 C74 119.2(11) . . ? C76 C75 H75 120.4 . . ? C74 C75 H75 120.4 . . ? C75 C76 C71 120.9(11) . . ? C75 C76 H76 119.6 . . ? C71 C76 H76 119.6 . . ? C82 C77 C78 119.0(10) . . ? C82 C77 P4 123.5(9) . . ? C78 C77 P4 117.5(8) . . ? C79 C78 C77 120.7(11) . . ? C79 C78 H78 119.7 . . ? C77 C78 H78 119.7 . . ? C78 C79 C80 120.2(11) . . ? C78 C79 H79 119.9 . . ? C80 C79 H79 119.9 . . ? C79 C80 C81 119.1(11) . . ? C79 C80 H80 120.4 . . ? C81 C80 H80 120.4 . . ? C82 C81 C80 121.2(11) . . ? C82 C81 H81 119.4 . . ? C80 C81 H81 119.4 . . ? C81 C82 C77 119.8(11) . . ? C81 C82 H82 120.1 . . ? C77 C82 H82 120.1 . . ? C69B C64B C65B 120.1(11) . . ? C69B C64B P2B 122.2(8) . . ? C65B C64B P2B 117.5(8) . . ? C66B C65B C64B 118.3(11) . . ? C66B C65B H65B 120.8 . . ? C64B C65B H65B 120.8 . . ? C65B C66B C67B 120.2(10) . . ? C65B C66B H66B 119.9 . . ? C67B C66B H66B 119.9 . . ? C68B C67B C66B 120.7(11) . . ? C68B C67B H67B 119.7 . . ? C66B C67B H67B 119.7 . . ? C67B C68B C69B 120.0(11) . . ? C67B C68B H68B 120.0 . . ? C69B C68B H68B 120.0 . . ? C68B C69B C64B 120.5(11) . . ? C68B C69B H69B 119.7 . . ? C64B C69B H69B 119.7 . . ? C63B C58B C59B 117.7(11) . . ? C63B C58B P2B 118.6(9) . . ? C59B C58B P2B 123.4(8) . . ? C60B C59B C58B 121.0(11) . . ? C60B C59B H59B 119.5 . . ? C58B C59B H59B 119.5 . . ? C59B C60B C61B 119.0(13) . . ? C59B C60B H60B 120.5 . . ? C61B C60B H60B 120.5 . . ? C62B C61B C60B 120.6(13) . . ? C62B C61B H61B 119.7 . . ? C60B C61B H61B 119.7 . . ? C61B C62B C63B 120.5(13) . . ? C61B C62B H62B 119.7 . . ? C63B C62B H62B 119.7 . . ? C62B C63B C58B 121.2(13) . . ? C62B C63B H63B 119.4 . . ? C58B C63B H63B 119.4 . . ? P4B C70B P2B 105.5(5) . . ? P4B C70B H70D 110.6 . . ? P2B C70B H70D 110.6 . . ? P4B C70B H70C 110.6 . . ? P2B C70B H70C 110.6 . . ? H70D C70B H70C 108.8 . . ? C82B C77B C78B 118.1(10) . . ? C82B C77B P4B 120.2(8) . . ? C78B C77B P4B 121.7(8) . . ? C81B C82B C77B 120.5(10) . . ? C81B C82B H82B 119.7 . . ? C77B C82B H82B 119.7 . . ? C80B C81B C82B 119.8(11) . . ? C80B C81B H81B 120.1 . . ? C82B C81B H81B 120.1 . . ? C81B C80B C79B 121.2(11) . . ? C81B C80B H80B 119.4 . . ? C79B C80B H80B 119.4 . . ? C78B C79B C80B 118.5(10) . . ? C78B C79B H79B 120.8 . . ? C80B C79B H79B 120.8 . . ? C79B C78B C77B 121.9(10) . . ? C79B C78B H78B 119.1 . . ? C77B C78B H78B 119.1 . . ? C72B C71B C76B 120.2(10) . . ? C72B C71B P4B 118.8(9) . . ? C76B C71B P4B 121.0(8) . . ? C75B C76B C71B 118.2(11) . . ? C75B C76B H76B 120.9 . . ? C71B C76B H76B 120.9 . . ? C76B C75B C74B 121.4(11) . . ? C76B C75B H75B 119.3 . . ? C74B C75B H75B 119.3 . . ? C73B C74B C75B 119.1(11) . . ? C73B C74B H74B 120.5 . . ? C75B C74B H74B 120.5 . . ? C72B C73B C74B 119.9(11) . . ? C72B C73B H73B 120.1 . . ? C74B C73B H73B 120.1 . . ? C73B C72B C71B 121.2(12) . . ? C73B C72B H72B 119.4 . . ? C71B C72B H72B 119.4 . . ? C34B C33B C38B 119.0(10) . . ? C34B C33B P1B 121.4(8) . . ? C38B C33B P1B 119.7(8) . . ? C33B C34B C35B 120.6(10) . . ? C33B C34B H34B 119.7 . . ? C35B C34B H34B 119.7 . . ? C36B C35B C34B 119.8(10) . . ? C36B C35B H35B 120.1 . . ? C34B C35B H35B 120.1 . . ? C35B C36B C37B 120.8(10) . . ? C35B C36B H36B 119.6 . . ? C37B C36B H36B 119.6 . . ? C36B C37B C38B 120.5(10) . . ? C36B C37B H37B 119.7 . . ? C38B C37B H37B 119.7 . . ? C37B C38B C33B 119.3(10) . . ? C37B C38B H38B 120.3 . . ? C33B C38B H38B 120.3 . . ? C44B C39B C40B 118.3(11) . . ? C44B C39B P1B 117.6(9) . . ? C40B C39B P1B 124.0(9) . . ? C39B C44B C43B 121.7(11) . . ? C39B C44B H44B 119.2 . . ? C43B C44B H44B 119.2 . . ? C42B C43B C44B 119.6(11) . . ? C42B C43B H43B 120.2 . . ? C44B C43B H43B 120.2 . . ? C41B C42B C43B 120.0(11) . . ? C41B C42B H42B 120.0 . . ? C43B C42B H42B 120.0 . . ? C42B C41B C40B 121.2(11) . . ? C42B C41B H41B 119.4 . . ? C40B C41B H41B 119.4 . . ? C39B C40B C41B 119.2(12) . . ? C39B C40B H40B 120.4 . . ? C41B C40B H40B 120.4 . . ? P3B C45B P1B 107.4(5) . . ? P3B C45B H45D 110.2 . . ? P1B C45B H45D 110.2 . . ? P3B C45B H45C 110.2 . . ? P1B C45B H45C 110.2 . . ? H45D C45B H45C 108.5 . . ? C47B C46B C51B 120.2(11) . . ? C47B C46B P3B 119.8(9) . . ? C51B C46B P3B 120.0(9) . . ? C46B C47B C48B 119.0(13) . . ? C46B C47B H47B 120.5 . . ? C48B C47B H47B 120.5 . . ? C49B C48B C47B 121.9(12) . . ? C49B C48B H48B 119.0 . . ? C47B C48B H48B 119.0 . . ? C48B C49B C50B 121.4(12) . . ? C48B C49B H49B 119.3 . . ? C50B C49B H49B 119.3 . . ? C49B C50B C51B 118.1(12) . . ? C49B C50B H50B 120.9 . . ? C51B C50B H50B 120.9 . . ? C46B C51B C50B 119.4(12) . . ? C46B C51B H56B 120.3 . . ? C50B C51B H56B 120.3 . . ? C57B C52B C53B 119.8(11) . . ? C57B C52B P3B 119.7(8) . . ? C53B C52B P3B 120.5(9) . . ? C52B C57B C56B 118.4(11) . . ? C52B C57B H57B 120.8 . . ? C56B C57B H57B 120.8 . . ? C55B C56B C57B 121.5(12) . . ? C55B C56B H129 119.2 . . ? C57B C56B H129 119.2 . . ? C56B C55B C54B 121.0(11) . . ? C56B C55B H55B 119.5 . . ? C54B C55B H55B 119.5 . . ? C55B C54B C53B 118.2(11) . . ? C55B C54B H54B 120.9 . . ? C53B C54B H54B 120.9 . . ? C52B C53B C54B 121.0(11) . . ? C52B C53B H53B 119.5 . . ? C54B C53B H53B 119.5 . . ? O90 C90 Pt1 178.5(11) . . ? O91 C91 Pt2 177.1(12) . . ? O90B C90B Pt1B 179.0(10) . . ? O91B C91B Pt2B 176.0(11) . . ? O137 C137 C138 121.1(12) . . ? O137 C137 C139 121.3(12) . . ? C138 C137 C139 117.6(12) . . ? C137 C138 H13A 109.5 . . ? C137 C138 H13B 109.5 . . ? H13A C138 H13B 109.5 . . ? C137 C138 H13C 109.5 . . ? H13A C138 H13C 109.5 . . ? H13B C138 H13C 109.5 . . ? C137 C139 H13D 109.5 . . ? C137 C139 H13E 109.5 . . ? H13D C139 H13E 109.5 . . ? C137 C139 H13F 109.5 . . ? H13D C139 H13F 109.5 . . ? H13E C139 H13F 109.5 . . ? O140 C140 C141 122.4(12) . . ? O140 C140 C142 120.1(12) . . ? C141 C140 C142 117.5(11) . . ? C140 C141 H14A 109.5 . . ? C140 C141 H14B 109.5 . . ? H14A C141 H14B 109.5 . . ? C140 C141 H14C 109.5 . . ? H14A C141 H14C 109.5 . . ? H14B C141 H14C 109.5 . . ? C140 C142 H14D 109.5 . . ? C140 C142 H14E 109.5 . . ? H14D C142 H14E 109.5 . . ? C140 C142 H14F 109.5 . . ? H14D C142 H14F 109.5 . . ? H14E C142 H14F 109.5 . . ? O143 C143 C145 121.2(12) . . ? O143 C143 C144 121.3(12) . . ? C145 C143 C144 117.4(12) . . ? C143 C144 H14G 109.5 . . ? C143 C144 H14H 109.5 . . ? H14G C144 H14H 109.5 . . ? C143 C144 H14I 109.5 . . ? H14G C144 H14I 109.5 . . ? H14H C144 H14I 109.5 . . ? C143 C145 H14J 109.5 . . ? C143 C145 H14K 109.5 . . ? H14J C145 H14K 109.5 . . ? C143 C145 H14L 109.5 . . ? H14J C145 H14L 109.5 . . ? H14K C145 H14L 109.5 . . ? O146 C146 C148 122.1(11) . . ? O146 C146 C149 120.2(12) . . ? C148 C146 C149 117.7(12) . . ? C146 C148 H14M 109.5 . . ? C146 C148 H14N 109.5 . . ? H14M C148 H14N 109.5 . . ? C146 C148 H14O 109.5 . . ? H14M C148 H14O 109.5 . . ? H14N C148 H14O 109.5 . . ? C146 C149 H14P 109.5 . . ? C146 C149 H14Q 109.5 . . ? H14P C149 H14Q 109.5 . . ? C146 C149 H14R 109.5 . . ? H14P C149 H14R 109.5 . . ? H14Q C149 H14R 109.5 . . ? Ru5 C150 Ru6 88.1(4) . . ? Ru5 C150 Ru4 91.7(4) . . ? Ru6 C150 Ru4 95.9(4) . . ? Ru5 C150 Ru2 91.2(4) . . ? Ru6 C150 Ru2 88.6(4) . . ? Ru4 C150 Ru2 174.7(6) . . ? Ru5 C150 Ru1 92.5(4) . . ? Ru6 C150 Ru1 176.5(6) . . ? Ru4 C150 Ru1 87.5(4) . . ? Ru2 C150 Ru1 88.0(4) . . ? Ru5 C150 Ru3 177.0(6) . . ? Ru6 C150 Ru3 89.4(4) . . ? Ru4 C150 Ru3 90.1(4) . . ? Ru2 C150 Ru3 87.1(4) . . ? Ru1 C150 Ru3 89.9(4) . . ? Ru4B C151 Ru5B 89.1(4) . . ? Ru4B C151 Ru3B 91.2(4) . . ? Ru5B C151 Ru3B 173.0(5) . . ? Ru4B C151 Ru2B 175.3(6) . . ? Ru5B C151 Ru2B 90.0(4) . . ? Ru3B C151 Ru2B 90.3(4) . . ? Ru4B C151 Ru1B 87.6(4) . . ? Ru5B C151 Ru1B 91.7(4) . . ? Ru3B C151 Ru1B 95.2(4) . . ? Ru2B C151 Ru1B 87.8(4) . . ? Ru4B C151 Ru6B 92.7(4) . . ? Ru5B C151 Ru6B 86.8(4) . . ? Ru3B C151 Ru6B 86.3(4) . . ? Ru2B C151 Ru6B 91.9(4) . . ? Ru1B C151 Ru6B 178.5(6) . . ? _diffrn_measured_fraction_theta_max 0.850 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.850 _refine_diff_density_max 1.053 _refine_diff_density_min -2.405 _refine_diff_density_rms 0.300 #===END======================================================================== data_Struct_3 _database_code_depnum_ccdc_archive 'CCDC 612893' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C67 H44 O16 P4 Pt2 Rh2 Ru5, 2(C H2 Cl2)' _chemical_formula_sum 'C69 H48 Cl4 O16 P4 Pt2 Rh2 Ru5' _chemical_formula_weight 2500.10 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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Rh Rh -1.1178 0.9187 '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' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/n' _symmetry_space_group_name_Hall '-P 2yn' 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 14.4758(2) _cell_length_b 26.4400(3) _cell_length_c 19.4421(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.263(3) _cell_angle_gamma 90.00 _cell_volume 7441.19(18) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 17068 _cell_measurement_theta_min 2.33 _cell_measurement_theta_max 27.52 _exptl_crystal_description block _exptl_crystal_colour black _exptl_crystal_size_max 0.37 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.232 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4736 _exptl_absorpt_coefficient_mu 5.455 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.2355 _exptl_absorpt_correction_T_max 0.6572 _exptl_absorpt_process_details 'SADABS v.2.10 (Sheldrick, 2003)' _publ_section_exptl_refinement ; Pt1 and Rh2 were disordered over the same site with with occupancies of 0.54/0.46. Also, the carbonyl ligands C7A/C7C and C7B/C7D were disordered over two sites with occupancies of 0.54/0.46. A rigid bond restraint (SIMU) was applied to the bridging carbonyl C5/O5. Hydrogens were positioned geometrically and were also constrained to ride on their parent atoms, with C---H =0.95-0.99 \%A, and U~iso~ = 1.2 U~eq~(parent atom). ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator 'horizontally mounted graphite crystal' _diffrn_measurement_device_type 'Nonius KappaCCD' _diffrn_measurement_device '95mm CCD camera on \k-goniostat' _diffrn_detector_area_resol_mean 9 _diffrn_measurement_method '\f scans and \w scans with \k offset' _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 53967 _diffrn_reflns_av_R_equivalents 0.0411 _diffrn_reflns_av_sigmaI/netI 0.0482 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -34 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 2.33 _diffrn_reflns_theta_max 27.52 _reflns_number_total 17068 _reflns_number_gt 14043 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect (Nonius BV, 1997-2000)' _computing_cell_refinement 'EvalCCD (Duisenberg, 1998-2003)' _computing_data_reduction 'EvalCCD (Duisenberg, 1998-2003)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Diamond v.3.1b (Crystal Impact GbR, 2006)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.0299P)^2^+41.7457P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 17068 _refine_ls_number_parameters 957 _refine_ls_number_restraints 6 _refine_ls_R_factor_all 0.0528 _refine_ls_R_factor_gt 0.0381 _refine_ls_wR_factor_ref 0.0887 _refine_ls_wR_factor_gt 0.0839 _refine_ls_goodness_of_fit_ref 1.071 _refine_ls_restrained_S_all 1.072 _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 Pt1 Pt 0.402134(14) 0.225697(7) 0.449861(10) 0.01339(5) Uani 1 1 d . . . Ru1 Ru 0.38294(3) 0.040224(17) 0.31690(2) 0.02059(10) Uani 1 1 d . . . Rh2 Rh 0.24736(3) 0.122902(17) 0.30523(2) 0.02030(10) Uani 1 1 d . A . Ru3 Ru 0.32169(4) 0.085074(17) 0.44510(2) 0.02408(11) Uani 1 1 d . A . Ru4 Ru 0.26485(4) -0.014830(17) 0.40082(3) 0.02728(12) Uani 1 1 d . A . Ru5 Ru 0.18799(4) 0.022773(19) 0.27935(3) 0.02742(12) Uani 1 1 d . A . Ru6 Ru 0.13139(4) 0.07104(2) 0.40385(3) 0.03588(14) Uani 1 1 d . . . Cl96 Cl 0.2020(3) 0.04738(13) 0.7050(2) 0.1249(15) Uani 1 1 d . . . Cl97 Cl 0.3725(2) 0.05348(13) 0.78076(16) 0.0929(9) Uani 1 1 d . . . Cl98 Cl 0.3775(4) 0.0299(2) -0.0417(4) 0.180(2) Uani 1 1 d . . . Cl99 Cl 0.3874(4) 0.1260(3) 0.0278(2) 0.176(2) Uani 1 1 d . . . P1 P 0.17149(10) 0.24660(5) 0.46623(7) 0.0168(3) Uani 1 1 d . . . P2 P 0.34986(10) 0.27322(5) 0.53934(7) 0.0160(3) Uani 1 1 d . A . P3 P 0.55331(10) 0.24688(5) 0.45262(7) 0.0164(3) Uani 1 1 d . A . P4 P 0.55113(10) 0.18685(5) 0.32341(7) 0.0160(3) Uani 1 1 d . . . O1 O 0.4441(4) 0.0183(2) 0.1715(3) 0.0599(17) Uani 1 1 d . . . O2 O 0.5853(4) 0.0465(2) 0.3530(4) 0.073(2) Uani 1 1 d . . . O3 O 0.4362(4) -0.06832(17) 0.3505(3) 0.0412(12) Uani 1 1 d . . . O4 O 0.3814(3) 0.1649(3) 0.2012(3) 0.0609(18) Uani 1 1 d . A . O5 O 0.1498(8) 0.1134(3) 0.1700(5) 0.149(5) Uani 1 1 d U A . O6 O 0.1296(4) 0.2182(2) 0.2945(2) 0.0474(14) Uani 1 1 d . A . O8 O 0.2679(4) 0.1457(2) 0.5732(3) 0.0599(18) Uani 1 1 d . A . O9 O 0.2527(5) -0.09946(19) 0.5068(3) 0.0580(17) Uani 1 1 d . A . O10 O 0.1674(4) -0.08960(18) 0.3118(3) 0.0509(15) Uani 1 1 d . A . O11 O -0.0119(4) 0.0100(3) 0.2376(4) 0.076(2) Uani 1 1 d . A . O12 O 0.2400(5) -0.0113(2) 0.1359(3) 0.0606(17) Uani 1 1 d . A . O13 O -0.0377(5) 0.1148(4) 0.3304(5) 0.109(3) Uani 1 1 d . . . O14 O 0.0282(8) -0.0242(3) 0.4381(6) 0.161(6) Uani 1 1 d . . . O15 O 0.0720(5) 0.1179(2) 0.5406(3) 0.0659(18) Uani 1 1 d . . . C1 C 0.4198(5) 0.0266(3) 0.2260(4) 0.0354(16) Uani 1 1 d . A . C2 C 0.5100(5) 0.0471(3) 0.3392(4) 0.0401(18) Uani 1 1 d . A . C3 C 0.3898(5) -0.0319(2) 0.3530(3) 0.0284(14) Uani 1 1 d . A . C4 C 0.3473(5) 0.1503(3) 0.2514(4) 0.048(2) Uani 1 1 d . . . C5 C 0.1830(7) 0.1073(3) 0.2237(4) 0.063(3) Uani 1 1 d U . . C6 C 0.1783(6) 0.1860(3) 0.3114(4) 0.049(2) Uani 1 1 d . . . C8 C 0.2803(8) 0.1360(5) 0.5160(5) 0.106(5) Uani 1 1 d . . . C9 C 0.2597(6) -0.0695(3) 0.4659(4) 0.0446(19) Uani 1 1 d . . . C10 C 0.1919(5) -0.0483(3) 0.3224(4) 0.0393(17) Uani 1 1 d . . . C11 C 0.0622(6) 0.0149(3) 0.2541(5) 0.050(2) Uani 1 1 d . . . C12 C 0.2235(5) 0.0002(3) 0.1910(4) 0.0383(17) Uani 1 1 d . . . C13 C 0.0259(6) 0.0985(4) 0.3572(6) 0.073(3) Uani 1 1 d . A . C14 C 0.0778(9) 0.0093(4) 0.4284(6) 0.099(5) Uani 1 1 d . A . C15 C 0.0977(6) 0.1025(3) 0.4892(4) 0.048(2) Uani 1 1 d . A . C20 C 0.0508(4) 0.2361(2) 0.4882(3) 0.0205(12) Uani 1 1 d . A . C21 C -0.0067(4) 0.2151(3) 0.4384(3) 0.0333(16) Uani 1 1 d . . . H21 H 0.0175 0.2070 0.3945 0.040 Uiso 1 1 calc R A . C22 C -0.0978(5) 0.2059(3) 0.4520(4) 0.0378(17) Uani 1 1 d . A . H22 H -0.1360 0.1909 0.4177 0.045 Uiso 1 1 calc R . . C23 C -0.1346(5) 0.2181(3) 0.5147(4) 0.0396(18) Uani 1 1 d . . . H23 H -0.1979 0.2117 0.5238 0.048 Uiso 1 1 calc R A . C24 C -0.0789(5) 0.2398(3) 0.5647(4) 0.0435(19) Uani 1 1 d . A . H24 H -0.1042 0.2488 0.6080 0.052 Uiso 1 1 calc R . . C25 C 0.0134(4) 0.2483(3) 0.5515(3) 0.0303(14) Uani 1 1 d . . . H25 H 0.0517 0.2627 0.5862 0.036 Uiso 1 1 calc R A . C26 C 0.1638(4) 0.3018(2) 0.4099(3) 0.0218(12) Uani 1 1 d . A . C27 C 0.0893(5) 0.3350(3) 0.4137(4) 0.0354(16) Uani 1 1 d . . . H27 H 0.0418 0.3294 0.4464 0.043 Uiso 1 1 calc R A . C28 C 0.0845(6) 0.3764(3) 0.3694(4) 0.047(2) Uani 1 1 d . A . H28 H 0.0338 0.3991 0.3721 0.057 Uiso 1 1 calc R . . C29 C 0.1528(6) 0.3844(3) 0.3219(4) 0.045(2) Uani 1 1 d . . . H29 H 0.1476 0.4118 0.2905 0.054 Uiso 1 1 calc R A . C30 C 0.2296(6) 0.3529(3) 0.3191(4) 0.045(2) Uani 1 1 d . A . H30 H 0.2788 0.3599 0.2883 0.054 Uiso 1 1 calc R . . C31 C 0.2329(5) 0.3110(2) 0.3622(3) 0.0311(15) Uani 1 1 d . . . H31 H 0.2834 0.2882 0.3591 0.037 Uiso 1 1 calc R A . C32 C 0.2236(4) 0.2694(2) 0.5471(3) 0.0177(11) Uani 1 1 d . A . H32A H 0.1985 0.3033 0.5583 0.021 Uiso 1 1 calc R . . H32B H 0.2073 0.2461 0.5850 0.021 Uiso 1 1 calc R . . C33 C 0.3725(4) 0.3411(2) 0.5397(3) 0.0209(12) Uani 1 1 d . . . C34 C 0.3133(5) 0.3755(2) 0.5081(3) 0.0262(13) Uani 1 1 d . A . H34 H 0.2582 0.3638 0.4868 0.031 Uiso 1 1 calc R . . C35 C 0.3337(5) 0.4263(2) 0.5074(3) 0.0344(16) Uani 1 1 d . . . H35 H 0.2927 0.4491 0.4851 0.041 Uiso 1 1 calc R A . C36 C 0.4120(5) 0.4446(2) 0.5383(4) 0.0370(17) Uani 1 1 d . A . H36 H 0.4252 0.4798 0.5376 0.044 Uiso 1 1 calc R . . C37 C 0.4718(5) 0.4113(2) 0.5707(4) 0.0356(16) Uani 1 1 d . . . H37 H 0.5263 0.4235 0.5925 0.043 Uiso 1 1 calc R A . C38 C 0.4521(4) 0.3602(2) 0.5713(3) 0.0272(14) Uani 1 1 d . A . H38 H 0.4935 0.3376 0.5935 0.033 Uiso 1 1 calc R . . C39 C 0.3846(4) 0.2533(2) 0.6253(3) 0.0205(12) Uani 1 1 d . . . C40 C 0.3645(4) 0.2832(2) 0.6821(3) 0.0263(14) Uani 1 1 d . A . H40 H 0.3358 0.3152 0.6761 0.032 Uiso 1 1 calc R . . C41 C 0.3866(5) 0.2662(3) 0.7474(3) 0.0342(16) Uani 1 1 d . . . H41 H 0.3717 0.2864 0.7862 0.041 Uiso 1 1 calc R A . C42 C 0.4302(5) 0.2200(3) 0.7570(3) 0.0369(17) Uani 1 1 d . A . H42 H 0.4462 0.2090 0.8020 0.044 Uiso 1 1 calc R . . C43 C 0.4501(5) 0.1903(3) 0.7011(4) 0.0339(15) Uani 1 1 d . . . H43 H 0.4794 0.1584 0.7075 0.041 Uiso 1 1 calc R A . C44 C 0.4276(4) 0.2065(2) 0.6356(3) 0.0257(13) Uani 1 1 d . A . H44 H 0.4416 0.1857 0.5971 0.031 Uiso 1 1 calc R . . C45 C 0.5823(5) 0.3101(2) 0.4215(3) 0.0259(13) Uani 1 1 d . . . C46 C 0.5124(6) 0.3426(2) 0.4014(3) 0.0340(16) Uani 1 1 d . A . H46 H 0.4497 0.3322 0.4040 0.041 Uiso 1 1 calc R . . C47 C 0.5339(8) 0.3905(3) 0.3775(4) 0.058(3) Uani 1 1 d . . . H47 H 0.4857 0.4128 0.3637 0.069 Uiso 1 1 calc R A . C48 C 0.6242(8) 0.4062(3) 0.3737(5) 0.065(3) Uani 1 1 d . A . H48 H 0.6383 0.4394 0.3584 0.078 Uiso 1 1 calc R . . C49 C 0.6948(7) 0.3732(4) 0.3921(4) 0.060(3) Uani 1 1 d . . . H49 H 0.7574 0.3836 0.3881 0.072 Uiso 1 1 calc R A . C50 C 0.6740(6) 0.3251(3) 0.4165(4) 0.0418(18) Uani 1 1 d . A . H50 H 0.7222 0.3027 0.4297 0.050 Uiso 1 1 calc R . . C51 C 0.6143(4) 0.2403(2) 0.5347(3) 0.0191(12) Uani 1 1 d . . . C52 C 0.6511(4) 0.2810(2) 0.5702(3) 0.0248(13) Uani 1 1 d . A . H52 H 0.6457 0.3142 0.5520 0.030 Uiso 1 1 calc R . . C53 C 0.6961(5) 0.2732(3) 0.6326(3) 0.0336(16) Uani 1 1 d . . . H53 H 0.7214 0.3012 0.6568 0.040 Uiso 1 1 calc R A . C54 C 0.7044(5) 0.2251(3) 0.6597(3) 0.0311(15) Uani 1 1 d . A . H54 H 0.7353 0.2201 0.7024 0.037 Uiso 1 1 calc R . . C55 C 0.6679(4) 0.1846(2) 0.6251(3) 0.0274(14) Uani 1 1 d . . . H55 H 0.6734 0.1515 0.6438 0.033 Uiso 1 1 calc R A . C56 C 0.6226(4) 0.1919(2) 0.5624(3) 0.0232(13) Uani 1 1 d . A . H56 H 0.5974 0.1637 0.5384 0.028 Uiso 1 1 calc R . . C57 C 0.6221(4) 0.2044(2) 0.3977(3) 0.0198(12) Uani 1 1 d . A . H57A H 0.6790 0.2218 0.3823 0.024 Uiso 1 1 calc R . . H57B H 0.6402 0.1737 0.4238 0.024 Uiso 1 1 calc R . . C58 C 0.6273(4) 0.1476(2) 0.2708(3) 0.0219(12) Uani 1 1 d . A . C59 C 0.7076(4) 0.1255(2) 0.2959(3) 0.0294(14) Uani 1 1 d . . . H59 H 0.7269 0.1319 0.3419 0.035 Uiso 1 1 calc R A . C60 C 0.7599(5) 0.0943(3) 0.2541(4) 0.0386(17) Uani 1 1 d . A . H60 H 0.8146 0.0793 0.2719 0.046 Uiso 1 1 calc R . . C61 C 0.7340(5) 0.0848(3) 0.1880(4) 0.0391(17) Uani 1 1 d . . . H61 H 0.7706 0.0634 0.1599 0.047 Uiso 1 1 calc R A . C62 C 0.6536(5) 0.1067(3) 0.1616(4) 0.0403(17) Uani 1 1 d . A . H62 H 0.6353 0.1005 0.1153 0.048 Uiso 1 1 calc R . . C63 C 0.6010(5) 0.1374(2) 0.2031(3) 0.0294(14) Uani 1 1 d . . . H63 H 0.5458 0.1520 0.1854 0.035 Uiso 1 1 calc R A . C64 C 0.5464(4) 0.2448(2) 0.2731(3) 0.0207(12) Uani 1 1 d . A . C65 C 0.6278(5) 0.2658(3) 0.2469(3) 0.0337(16) Uani 1 1 d . . . H65 H 0.6854 0.2494 0.2540 0.040 Uiso 1 1 calc R A . C66 C 0.6232(6) 0.3112(3) 0.2101(4) 0.046(2) Uani 1 1 d . A . H66 H 0.6781 0.3257 0.1922 0.056 Uiso 1 1 calc R . . C67 C 0.5393(7) 0.3349(3) 0.1997(4) 0.051(2) Uani 1 1 d . . . H67 H 0.5369 0.3662 0.1756 0.062 Uiso 1 1 calc R A . C68 C 0.4603(6) 0.3138(3) 0.2236(4) 0.046(2) Uani 1 1 d . A . H68 H 0.4025 0.3295 0.2144 0.055 Uiso 1 1 calc R . . C69 C 0.4634(5) 0.2692(2) 0.2616(3) 0.0303(15) Uani 1 1 d . . . H69 H 0.4080 0.2555 0.2797 0.036 Uiso 1 1 calc R A . C96 C 0.3147(9) 0.0706(5) 0.7103(7) 0.099(4) Uani 1 1 d . . . H96A H 0.3493 0.0588 0.6696 0.119 Uiso 1 1 calc R . . H96B H 0.3124 0.1080 0.7084 0.119 Uiso 1 1 calc R . . C98 C 0.352(4) 0.0659(13) 0.0314(12) 0.61(5) Uani 1 1 d . . . H98A H 0.2846 0.0654 0.0385 0.732 Uiso 1 1 calc R . . H98B H 0.3814 0.0495 0.0718 0.732 Uiso 1 1 calc R . . Pt2A Pt 0.414972(19) 0.153198(10) 0.357082(14) 0.01452(9) Uani 0.5362(17) 1 d P A 1 Rh1A Rh 0.24688(2) 0.179673(11) 0.422036(15) 0.01612(10) Uani 0.5362(17) 1 d P A 1 Pt2B Pt 0.24688(2) 0.179673(11) 0.422036(15) 0.01612(10) Uani 0.4638(17) 1 d P A 2 Rh1B Rh 0.414972(19) 0.153198(10) 0.357082(14) 0.01452(9) Uani 0.4638(17) 1 d P A 2 C1A C 0.2586(4) 0.0571(2) 0.3602(3) 0.0231(13) Uani 1 1 d . A . C7A C 0.2915(12) 0.0403(5) 0.5194(7) 0.040(4) Uani 0.535(10) 1 d P A 3 O7A O 0.2776(9) 0.0180(4) 0.5692(5) 0.058(4) Uani 0.535(10) 1 d P A 3 C7C C 0.4373(9) 0.0914(4) 0.4778(7) 0.032(3) Uani 0.535(10) 1 d P A 3 O7C O 0.5102(9) 0.0914(4) 0.5007(7) 0.049(3) Uani 0.535(10) 1 d P A 3 C7B C 0.3853(15) 0.0348(6) 0.4997(8) 0.049(5) Uani 0.465(10) 1 d P A 4 O7B O 0.4292(13) 0.0117(4) 0.5344(7) 0.084(6) Uani 0.465(10) 1 d P A 4 C7D C 0.4620(10) 0.1141(5) 0.4381(7) 0.024(3) Uani 0.465(10) 1 d P A 4 O7D O 0.5352(8) 0.1074(4) 0.4661(7) 0.032(3) Uani 0.465(10) 1 d P A 4 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 0.01247(10) 0.01400(10) 0.01369(10) -0.00077(8) -0.00169(8) -0.00089(8) Ru1 0.0232(3) 0.0195(2) 0.0191(2) 0.00143(18) 0.00004(19) -0.00262(19) Rh2 0.0214(2) 0.0223(2) 0.0172(2) -0.00314(18) -0.00296(18) -0.00556(18) Ru3 0.0428(3) 0.0142(2) 0.0152(2) -0.00078(17) -0.0038(2) -0.0035(2) Ru4 0.0429(3) 0.0138(2) 0.0252(3) -0.00223(19) 0.0094(2) -0.0103(2) Ru5 0.0261(3) 0.0257(3) 0.0304(3) -0.0128(2) -0.0015(2) -0.0089(2) Ru6 0.0352(3) 0.0322(3) 0.0404(3) -0.0124(2) 0.0201(3) -0.0136(2) Cl96 0.096(3) 0.090(2) 0.189(4) 0.052(2) -0.043(3) -0.0214(19) Cl97 0.091(2) 0.109(2) 0.0786(19) 0.0004(17) -0.0062(16) 0.0329(18) Cl98 0.181(5) 0.148(4) 0.211(6) 0.060(4) -0.017(4) 0.005(4) Cl99 0.154(4) 0.263(7) 0.111(3) -0.001(4) 0.012(3) -0.091(5) P1 0.0130(7) 0.0213(7) 0.0162(7) -0.0023(6) -0.0007(6) 0.0008(6) P2 0.0149(7) 0.0176(7) 0.0156(7) -0.0024(5) -0.0021(6) 0.0003(5) P3 0.0135(7) 0.0188(7) 0.0168(7) -0.0015(6) -0.0015(6) -0.0028(5) P4 0.0136(7) 0.0190(7) 0.0155(7) -0.0006(5) 0.0005(5) -0.0001(5) O1 0.064(4) 0.086(5) 0.029(3) -0.003(3) 0.013(3) 0.017(3) O2 0.031(3) 0.059(4) 0.129(6) 0.031(4) -0.030(4) -0.007(3) O3 0.054(3) 0.024(2) 0.046(3) 0.003(2) 0.007(3) 0.007(2) O4 0.020(3) 0.113(5) 0.049(3) 0.050(3) -0.003(2) -0.006(3) O5 0.271(12) 0.050(4) 0.123(7) 0.024(4) -0.163(8) -0.050(6) O6 0.071(4) 0.044(3) 0.028(3) 0.002(2) 0.013(3) 0.027(3) O8 0.090(5) 0.060(4) 0.030(3) -0.026(3) 0.027(3) -0.045(3) O9 0.096(5) 0.028(3) 0.051(3) 0.012(3) 0.027(3) -0.011(3) O10 0.069(4) 0.023(3) 0.060(4) -0.013(2) 0.006(3) -0.024(2) O11 0.035(4) 0.088(5) 0.105(6) -0.039(4) -0.012(4) -0.014(3) O12 0.092(5) 0.063(4) 0.027(3) -0.018(3) -0.005(3) -0.004(3) O13 0.034(4) 0.151(8) 0.142(8) -0.086(6) -0.035(4) 0.023(4) O14 0.200(11) 0.075(6) 0.210(11) -0.046(6) 0.159(10) -0.074(7) O15 0.098(5) 0.055(4) 0.045(3) -0.007(3) 0.038(3) -0.007(3) C1 0.037(4) 0.039(4) 0.030(4) 0.003(3) 0.004(3) 0.006(3) C2 0.035(4) 0.026(3) 0.059(5) 0.018(3) -0.007(4) -0.007(3) C3 0.042(4) 0.023(3) 0.020(3) -0.002(2) 0.001(3) -0.008(3) C4 0.024(4) 0.059(5) 0.060(5) 0.038(4) 0.003(4) 0.014(3) C5 0.097(7) 0.032(4) 0.058(5) 0.006(4) -0.060(5) -0.022(4) C6 0.052(5) 0.038(4) 0.058(5) 0.004(4) 0.037(4) 0.004(4) C8 0.107(9) 0.142(10) 0.071(7) -0.077(7) 0.066(6) -0.110(8) C9 0.066(6) 0.026(4) 0.042(4) -0.006(3) 0.015(4) -0.015(4) C10 0.047(5) 0.031(4) 0.041(4) -0.012(3) 0.008(3) -0.012(3) C11 0.039(5) 0.051(5) 0.061(5) -0.022(4) -0.002(4) -0.014(4) C12 0.047(5) 0.033(4) 0.035(4) -0.014(3) -0.012(3) -0.006(3) C13 0.027(5) 0.092(7) 0.099(8) -0.065(6) -0.003(5) 0.002(5) C14 0.140(11) 0.051(6) 0.107(9) -0.030(6) 0.107(9) -0.042(6) C15 0.060(5) 0.038(4) 0.047(5) -0.008(4) 0.024(4) -0.014(4) C20 0.015(3) 0.025(3) 0.021(3) 0.000(2) -0.001(2) 0.003(2) C21 0.017(3) 0.055(4) 0.028(3) -0.014(3) 0.005(3) -0.004(3) C22 0.019(3) 0.061(5) 0.033(4) -0.013(3) -0.002(3) -0.010(3) C23 0.015(3) 0.066(5) 0.038(4) 0.003(4) 0.006(3) -0.007(3) C24 0.028(4) 0.077(6) 0.026(4) -0.005(4) 0.001(3) -0.001(4) C25 0.019(3) 0.048(4) 0.024(3) -0.005(3) 0.001(3) 0.000(3) C26 0.025(3) 0.022(3) 0.018(3) -0.003(2) -0.002(2) 0.000(2) C27 0.030(4) 0.034(4) 0.042(4) 0.008(3) -0.001(3) 0.006(3) C28 0.042(5) 0.033(4) 0.067(6) 0.013(4) -0.011(4) 0.014(3) C29 0.074(6) 0.024(4) 0.037(4) 0.014(3) -0.006(4) 0.000(4) C30 0.078(6) 0.028(4) 0.029(4) 0.003(3) 0.006(4) -0.006(4) C31 0.042(4) 0.026(3) 0.025(3) -0.002(3) 0.005(3) 0.001(3) C32 0.017(3) 0.020(3) 0.016(3) -0.004(2) -0.001(2) -0.002(2) C33 0.020(3) 0.021(3) 0.021(3) -0.002(2) 0.003(2) 0.000(2) C34 0.033(4) 0.027(3) 0.019(3) -0.002(2) -0.003(3) -0.001(3) C35 0.051(5) 0.019(3) 0.033(4) 0.003(3) -0.005(3) 0.001(3) C36 0.052(5) 0.021(3) 0.039(4) 0.000(3) 0.006(3) -0.008(3) C37 0.037(4) 0.032(4) 0.038(4) -0.003(3) -0.005(3) -0.015(3) C38 0.026(3) 0.026(3) 0.029(3) 0.005(3) -0.001(3) -0.003(3) C39 0.015(3) 0.024(3) 0.022(3) 0.001(2) -0.003(2) 0.000(2) C40 0.026(3) 0.029(3) 0.024(3) -0.006(3) -0.006(3) 0.002(3) C41 0.035(4) 0.050(4) 0.017(3) -0.002(3) -0.003(3) 0.004(3) C42 0.036(4) 0.052(4) 0.023(3) 0.015(3) -0.007(3) 0.001(3) C43 0.030(4) 0.037(4) 0.035(4) 0.010(3) -0.002(3) 0.001(3) C44 0.025(3) 0.028(3) 0.024(3) 0.000(3) -0.001(3) -0.001(3) C45 0.036(4) 0.023(3) 0.019(3) 0.001(2) 0.001(3) -0.009(3) C46 0.057(5) 0.021(3) 0.025(3) -0.004(3) 0.004(3) -0.005(3) C47 0.108(8) 0.026(4) 0.038(4) 0.004(3) 0.009(5) 0.001(5) C48 0.119(9) 0.028(4) 0.049(5) 0.007(4) 0.012(6) -0.028(5) C49 0.078(7) 0.063(6) 0.039(5) -0.001(4) 0.008(4) -0.049(5) C50 0.050(5) 0.041(4) 0.035(4) -0.002(3) -0.001(3) -0.028(4) C51 0.010(3) 0.026(3) 0.021(3) -0.002(2) -0.001(2) -0.003(2) C52 0.023(3) 0.028(3) 0.024(3) -0.006(2) -0.005(3) -0.003(2) C53 0.032(4) 0.038(4) 0.030(4) -0.015(3) -0.012(3) -0.003(3) C54 0.028(4) 0.044(4) 0.022(3) 0.000(3) -0.010(3) 0.007(3) C55 0.025(3) 0.033(3) 0.024(3) 0.006(3) 0.002(3) 0.004(3) C56 0.017(3) 0.028(3) 0.025(3) 0.000(2) -0.006(2) -0.004(2) C57 0.015(3) 0.022(3) 0.022(3) -0.003(2) -0.002(2) 0.000(2) C58 0.020(3) 0.019(3) 0.027(3) -0.003(2) 0.003(2) -0.002(2) C59 0.024(3) 0.031(3) 0.033(4) -0.006(3) -0.002(3) 0.006(3) C60 0.024(4) 0.035(4) 0.057(5) -0.009(3) 0.000(3) 0.007(3) C61 0.033(4) 0.036(4) 0.048(4) -0.017(3) 0.012(3) 0.004(3) C62 0.042(4) 0.046(4) 0.033(4) -0.011(3) 0.007(3) -0.002(3) C63 0.026(3) 0.036(4) 0.027(3) -0.008(3) 0.002(3) 0.003(3) C64 0.026(3) 0.018(3) 0.018(3) 0.000(2) 0.000(2) -0.001(2) C65 0.039(4) 0.037(4) 0.025(3) 0.001(3) 0.004(3) -0.012(3) C66 0.065(6) 0.041(4) 0.033(4) -0.002(3) 0.018(4) -0.028(4) C67 0.096(7) 0.028(4) 0.031(4) 0.007(3) 0.016(4) -0.006(4) C68 0.070(6) 0.030(4) 0.038(4) 0.011(3) 0.004(4) 0.015(4) C69 0.037(4) 0.023(3) 0.030(3) 0.007(3) 0.006(3) 0.007(3) C96 0.100(10) 0.100(9) 0.097(9) 0.030(7) -0.035(8) -0.042(8) C98 1.28(13) 0.43(5) 0.119(18) 0.18(2) -0.30(4) -0.63(7) Pt2A 0.01463(15) 0.01433(14) 0.01459(15) 0.00035(10) -0.00029(10) -0.00059(10) Rh1A 0.01335(16) 0.01807(16) 0.01692(16) -0.00256(11) -0.00010(11) -0.00217(11) Pt2B 0.01335(16) 0.01807(16) 0.01692(16) -0.00256(11) -0.00010(11) -0.00217(11) Rh1B 0.01463(15) 0.01433(14) 0.01459(15) 0.00035(10) -0.00029(10) -0.00059(10) C1A 0.027(3) 0.022(3) 0.020(3) -0.003(2) 0.003(2) -0.009(2) C7A 0.070(11) 0.021(6) 0.029(7) 0.001(5) -0.009(7) 0.000(6) O7A 0.112(10) 0.037(6) 0.024(5) 0.011(4) 0.004(6) -0.007(6) C7C 0.037(8) 0.016(6) 0.041(8) -0.004(6) -0.015(6) 0.000(5) O7C 0.051(8) 0.035(6) 0.062(8) 0.003(6) -0.034(7) -0.004(5) C7B 0.087(16) 0.028(8) 0.032(9) 0.004(7) -0.012(9) -0.013(9) O7B 0.162(16) 0.026(6) 0.064(9) 0.025(6) -0.068(10) -0.013(8) C7D 0.044(9) 0.008(6) 0.019(7) -0.002(5) -0.010(6) -0.007(5) O7D 0.030(6) 0.019(6) 0.048(8) 0.010(5) -0.023(6) -0.005(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 Pt1 P3 2.2593(14) . ? Pt1 P2 2.2782(14) . ? Pt1 Rh1A 2.6102(3) . ? Pt1 Pt2A 2.6393(3) . ? Ru1 C1 1.884(7) . ? Ru1 C2 1.896(7) . ? Ru1 C3 2.034(6) . ? Ru1 C1A 2.040(6) . ? Ru1 Ru4 2.7801(7) . ? Ru1 Ru3 2.9027(7) . ? Ru1 Rh2 2.9458(7) . ? Ru1 Ru5 2.9480(7) . ? Ru1 Pt2A 3.1216(5) . ? Rh2 C5 1.881(7) . ? Rh2 C4 1.930(8) . ? Rh2 C6 1.948(8) . ? Rh2 C1A 2.047(6) . ? Rh2 Rh1A 2.7222(5) . ? Rh2 Pt2A 2.7427(5) . ? Rh2 Ru5 2.8278(6) . ? Rh2 Ru6 2.8989(7) . ? Rh2 Ru3 3.0864(6) . ? Ru3 C7C 1.795(13) . ? Ru3 C7A 1.921(14) . ? Ru3 C7B 1.933(18) . ? Ru3 C8 2.019(10) . ? Ru3 C1A 2.023(6) . ? Ru3 C7D 2.176(14) . ? Ru3 Rh1A 2.7614(6) . ? Ru3 Pt2A 2.8315(6) . ? Ru3 Ru6 2.8894(8) . ? Ru3 Ru4 2.8964(6) . ? Ru4 C9 1.923(8) . ? Ru4 C10 2.052(7) . ? Ru4 C1A 2.062(6) . ? Ru4 C3 2.087(7) . ? Ru4 Ru5 2.7891(8) . ? Ru4 Ru6 2.9819(8) . ? Ru5 C12 1.891(7) . ? Ru5 C11 1.895(8) . ? Ru5 C10 2.058(7) . ? Ru5 C1A 2.079(6) . ? Ru5 C5 2.485(8) . ? Ru5 Ru6 2.8595(7) . ? Ru6 C14 1.871(9) . ? Ru6 C13 1.916(10) . ? Ru6 C15 1.921(8) . ? Ru6 C1A 2.064(6) . ? Cl96 C96 1.746(12) . ? Cl97 C96 1.664(11) . ? Cl98 C98 1.75(4) . ? Cl99 C98 1.67(2) . ? P1 C20 1.822(6) . ? P1 C26 1.829(6) . ? P1 C32 1.842(5) . ? P1 Rh1A 2.2516(15) . ? P2 C39 1.821(6) . ? P2 C33 1.823(6) . ? P2 C32 1.838(6) . ? P3 C45 1.826(6) . ? P3 C51 1.829(6) . ? P3 C57 1.846(6) . ? P4 C64 1.819(6) . ? P4 C57 1.828(6) . ? P4 C58 1.830(6) . ? P4 Pt2A 2.2621(14) . ? O1 C1 1.139(8) . ? O2 C2 1.122(9) . ? O3 C3 1.175(8) . ? O4 C4 1.162(9) . ? O5 C5 1.158(9) . ? O6 C6 1.152(9) . ? O8 C8 1.156(9) . ? O9 C9 1.128(9) . ? O10 C10 1.166(8) . ? O11 C11 1.126(9) . ? O12 C12 1.140(8) . ? O13 C13 1.140(12) . ? O14 C14 1.157(11) . ? O15 C15 1.143(9) . ? C4 Pt2A 2.273(8) . ? C6 Rh1A 2.371(10) . ? C8 Rh1A 2.213(15) . ? C20 C25 1.386(8) . ? C20 C21 1.389(8) . ? C21 C22 1.368(9) . ? C21 H21 0.9500 . ? C22 C23 1.370(10) . ? C22 H22 0.9500 . ? C23 C24 1.384(10) . ? C23 H23 0.9500 . ? C24 C25 1.381(9) . ? C24 H24 0.9500 . ? C25 H25 0.9500 . ? C26 C31 1.388(9) . ? C26 C27 1.392(9) . ? C27 C28 1.394(10) . ? C27 H27 0.9500 . ? C28 C29 1.373(11) . ? C28 H28 0.9500 . ? C29 C30 1.389(11) . ? C29 H29 0.9500 . ? C30 C31 1.391(9) . ? C30 H30 0.9500 . ? C31 H31 0.9500 . ? C32 H32A 0.9900 . ? C32 H32B 0.9900 . ? C33 C34 1.390(8) . ? C33 C38 1.398(8) . ? C34 C35 1.377(9) . ? C34 H34 0.9500 . ? C35 C36 1.369(10) . ? C35 H35 0.9500 . ? C36 C37 1.386(10) . ? C36 H36 0.9500 . ? C37 C38 1.380(9) . ? C37 H37 0.9500 . ? C38 H38 0.9500 . ? C39 C40 1.391(8) . ? C39 C44 1.399(8) . ? C40 C41 1.383(9) . ? C40 H40 0.9500 . ? C41 C42 1.388(10) . ? C41 H41 0.9500 . ? C42 C43 1.372(10) . ? C42 H42 0.9500 . ? C43 C44 1.382(9) . ? C43 H43 0.9500 . ? C44 H44 0.9500 . ? C45 C46 1.385(10) . ? C45 C50 1.388(10) . ? C46 C47 1.385(10) . ? C46 H46 0.9500 . ? C47 C48 1.374(14) . ? C47 H47 0.9500 . ? C48 C49 1.388(14) . ? C48 H48 0.9500 . ? C49 C50 1.392(11) . ? C49 H49 0.9500 . ? C50 H50 0.9500 . ? C51 C52 1.383(8) . ? C51 C56 1.395(8) . ? C52 C53 1.389(9) . ? C52 H52 0.9500 . ? C53 C54 1.381(9) . ? C53 H53 0.9500 . ? C54 C55 1.370(9) . ? C54 H54 0.9500 . ? C55 C56 1.395(8) . ? C55 H55 0.9500 . ? C56 H56 0.9500 . ? C57 H57A 0.9900 . ? C57 H57B 0.9900 . ? C58 C59 1.388(8) . ? C58 C63 1.394(8) . ? C59 C60 1.386(9) . ? C59 H59 0.9500 . ? C60 C61 1.361(10) . ? C60 H60 0.9500 . ? C61 C62 1.395(10) . ? C61 H61 0.9500 . ? C62 C63 1.379(9) . ? C62 H62 0.9500 . ? C63 H63 0.9500 . ? C64 C69 1.380(9) . ? C64 C65 1.401(9) . ? C65 C66 1.397(10) . ? C65 H65 0.9500 . ? C66 C67 1.382(12) . ? C66 H66 0.9500 . ? C67 C68 1.358(12) . ? C67 H67 0.9500 . ? C68 C69 1.390(9) . ? C68 H68 0.9500 . ? C69 H69 0.9500 . ? C96 H96A 0.9900 . ? C96 H96B 0.9900 . ? C98 H98A 0.9900 . ? C98 H98B 0.9900 . ? Pt2A Rh1A 2.8344(4) . ? C7A O7A 1.152(16) . ? C7C O7C 1.144(16) . ? C7B O7B 1.11(2) . ? C7D O7D 1.202(17) . ? 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 P3 Pt1 P2 99.80(5) . . ? P3 Pt1 Rh1A 162.45(4) . . ? P2 Pt1 Rh1A 97.28(4) . . ? P3 Pt1 Pt2A 97.19(4) . . ? P2 Pt1 Pt2A 161.29(4) . . ? Rh1A Pt1 Pt2A 65.356(10) . . ? C1 Ru1 C2 87.3(3) . . ? C1 Ru1 C3 97.5(3) . . ? C2 Ru1 C3 88.0(3) . . ? C1 Ru1 C1A 133.1(3) . . ? C2 Ru1 C1A 137.9(3) . . ? C3 Ru1 C1A 96.0(3) . . ? C1 Ru1 Ru4 128.9(2) . . ? C2 Ru1 Ru4 121.0(2) . . ? C3 Ru1 Ru4 48.4(2) . . ? C1A Ru1 Ru4 47.67(16) . . ? C1 Ru1 Ru3 166.7(2) . . ? C2 Ru1 Ru3 93.7(3) . . ? C3 Ru1 Ru3 95.79(18) . . ? C1A Ru1 Ru3 44.18(16) . . ? Ru4 Ru1 Ru3 61.241(17) . . ? C1 Ru1 Rh2 105.2(2) . . ? C2 Ru1 Rh2 126.3(2) . . ? C3 Ru1 Rh2 138.9(2) . . ? C1A Ru1 Rh2 43.97(17) . . ? Ru4 Ru1 Rh2 91.29(2) . . ? Ru3 Ru1 Rh2 63.699(16) . . ? C1 Ru1 Ru5 90.7(2) . . ? C2 Ru1 Ru5 176.3(2) . . ? C3 Ru1 Ru5 89.09(19) . . ? C1A Ru1 Ru5 44.83(16) . . ? Ru4 Ru1 Ru5 58.187(19) . . ? Ru3 Ru1 Ru5 88.90(2) . . ? Rh2 Ru1 Ru5 57.344(16) . . ? C1 Ru1 Pt2A 112.1(2) . . ? C2 Ru1 Pt2A 73.1(2) . . ? C3 Ru1 Pt2A 143.46(17) . . ? C1A Ru1 Pt2A 79.49(16) . . ? Ru4 Ru1 Pt2A 116.435(19) . . ? Ru3 Ru1 Pt2A 55.929(13) . . ? Rh2 Ru1 Pt2A 53.654(13) . . ? Ru5 Ru1 Pt2A 110.651(19) . . ? C5 Rh2 C4 89.7(4) . . ? C5 Rh2 C6 89.2(4) . . ? C4 Rh2 C6 95.7(3) . . ? C5 Rh2 C1A 107.0(3) . . ? C4 Rh2 C1A 122.9(3) . . ? C6 Rh2 C1A 137.3(3) . . ? C5 Rh2 Rh1A 145.2(3) . . ? C4 Rh2 Rh1A 104.5(3) . . ? C6 Rh2 Rh1A 58.2(3) . . ? C1A Rh2 Rh1A 91.94(16) . . ? C5 Rh2 Pt2A 143.9(3) . . ? C4 Rh2 Pt2A 54.9(2) . . ? C6 Rh2 Pt2A 100.4(3) . . ? C1A Rh2 Pt2A 89.34(17) . . ? Rh1A Rh2 Pt2A 62.483(13) . . ? C5 Rh2 Ru5 59.7(2) . . ? C4 Rh2 Ru5 118.9(3) . . ? C6 Rh2 Ru5 131.0(3) . . ? C1A Rh2 Ru5 47.21(16) . . ? Rh1A Rh2 Ru5 131.51(2) . . ? Pt2A Rh2 Ru5 127.33(2) . . ? C5 Rh2 Ru6 99.7(3) . . ? C4 Rh2 Ru6 166.8(2) . . ? C6 Rh2 Ru6 93.7(2) . . ? C1A Rh2 Ru6 45.40(17) . . ? Rh1A Rh2 Ru6 72.864(17) . . ? Pt2A Rh2 Ru6 114.14(2) . . ? Ru5 Rh2 Ru6 59.896(18) . . ? C5 Rh2 Ru1 103.3(3) . . ? C4 Rh2 Ru1 79.6(2) . . ? C6 Rh2 Ru1 166.5(3) . . ? C1A Rh2 Ru1 43.79(17) . . ? Rh1A Rh2 Ru1 110.439(18) . . ? Pt2A Rh2 Ru1 66.452(15) . . ? Ru5 Rh2 Ru1 61.367(17) . . ? Ru6 Rh2 Ru1 89.18(2) . . ? C5 Rh2 Ru3 147.3(2) . . ? C4 Rh2 Ru3 109.9(2) . . ? C6 Rh2 Ru3 113.6(3) . . ? C1A Rh2 Ru3 40.41(16) . . ? Rh1A Rh2 Ru3 56.351(14) . . ? Pt2A Rh2 Ru3 57.764(14) . . ? Ru5 Rh2 Ru3 87.582(19) . . ? Ru6 Rh2 Ru3 57.627(18) . . ? Ru1 Rh2 Ru3 57.470(16) . . ? C7C Ru3 C7A 90.3(6) . . ? C7C Ru3 C7B 55.1(7) . . ? C7A Ru3 C7B 43.2(7) . . ? C7C Ru3 C8 88.6(5) . . ? C7A Ru3 C8 80.1(5) . . ? C7B Ru3 C8 103.0(7) . . ? C7C Ru3 C1A 137.7(5) . . ? C7A Ru3 C1A 106.6(4) . . ? C7B Ru3 C1A 114.2(5) . . ? C8 Ru3 C1A 131.8(4) . . ? C7C Ru3 C7D 28.4(5) . . ? C7A Ru3 C7D 118.7(6) . . ? C7B Ru3 C7D 80.5(7) . . ? C8 Ru3 C7D 95.0(4) . . ? C1A Ru3 C7D 119.7(4) . . ? C7C Ru3 Rh1A 109.8(4) . . ? C7A Ru3 Rh1A 126.2(4) . . ? C7B Ru3 Rh1A 153.9(5) . . ? C8 Ru3 Rh1A 52.4(4) . . ? C1A Ru3 Rh1A 91.32(17) . . ? C7D Ru3 Rh1A 92.1(3) . . ? C7C Ru3 Pt2A 73.1(5) . . ? C7A Ru3 Pt2A 163.3(5) . . ? C7B Ru3 Pt2A 122.9(6) . . ? C8 Ru3 Pt2A 97.6(3) . . ? C1A Ru3 Pt2A 87.35(16) . . ? C7D Ru3 Pt2A 44.8(3) . . ? Rh1A Ru3 Pt2A 60.884(13) . . ? C7C Ru3 Ru6 175.0(5) . . ? C7A Ru3 Ru6 84.8(5) . . ? C7B Ru3 Ru6 121.0(6) . . ? C8 Ru3 Ru6 89.4(3) . . ? C1A Ru3 Ru6 45.59(18) . . ? C7D Ru3 Ru6 156.5(3) . . ? Rh1A Ru3 Ru6 72.456(18) . . ? Pt2A Ru3 Ru6 111.75(2) . . ? C7C Ru3 Ru4 116.9(4) . . ? C7A Ru3 Ru4 66.2(4) . . ? C7B Ru3 Ru4 70.7(5) . . ? C8 Ru3 Ru4 136.6(2) . . ? C1A Ru3 Ru4 45.39(17) . . ? C7D Ru3 Ru4 124.5(3) . . ? Rh1A Ru3 Ru4 131.85(2) . . ? Pt2A Ru3 Ru4 122.42(2) . . ? Ru6 Ru3 Ru4 62.045(19) . . ? C9 Ru4 C10 98.2(3) . . ? C9 Ru4 C1A 160.8(3) . . ? C10 Ru4 C1A 95.2(3) . . ? C9 Ru4 C3 99.6(3) . . ? C10 Ru4 C3 91.2(3) . . ? C1A Ru4 C3 93.8(2) . . ? C9 Ru4 Ru1 143.6(3) . . ? C10 Ru4 Ru1 96.0(2) . . ? C1A Ru4 Ru1 47.00(17) . . ? C3 Ru4 Ru1 46.79(17) . . ? C9 Ru4 Ru5 144.0(2) . . ? C10 Ru4 Ru5 47.3(2) . . ? C1A Ru4 Ru5 47.92(16) . . ? C3 Ru4 Ru5 92.49(17) . . ? Ru1 Ru4 Ru5 63.922(18) . . ? C9 Ru4 Ru3 120.1(2) . . ? C10 Ru4 Ru3 139.4(2) . . ? C1A Ru4 Ru3 44.32(16) . . ? C3 Ru4 Ru3 94.81(17) . . ? Ru1 Ru4 Ru3 61.467(17) . . ? Ru5 Ru4 Ru3 92.193(19) . . ? C9 Ru4 Ru6 122.2(2) . . ? C10 Ru4 Ru6 90.7(2) . . ? C1A Ru4 Ru6 43.75(17) . . ? C3 Ru4 Ru6 137.43(17) . . ? Ru1 Ru4 Ru6 90.75(2) . . ? Ru5 Ru4 Ru6 59.294(19) . . ? Ru3 Ru4 Ru6 58.862(18) . . ? C12 Ru5 C11 89.7(3) . . ? C12 Ru5 C10 94.2(3) . . ? C11 Ru5 C10 91.7(3) . . ? C12 Ru5 C1A 133.5(3) . . ? C11 Ru5 C1A 135.4(3) . . ? C10 Ru5 C1A 94.6(3) . . ? C12 Ru5 C5 84.0(3) . . ? C11 Ru5 C5 87.7(3) . . ? C10 Ru5 C5 178.1(3) . . ? C1A Ru5 C5 87.1(2) . . ? C12 Ru5 Ru4 123.2(2) . . ? C11 Ru5 Ru4 124.0(3) . . ? C10 Ru5 Ru4 47.2(2) . . ? C1A Ru5 Ru4 47.41(16) . . ? C5 Ru5 Ru4 134.45(16) . . ? C12 Ru5 Rh2 111.9(2) . . ? C11 Ru5 Rh2 116.1(3) . . ? C10 Ru5 Rh2 140.8(2) . . ? C1A Ru5 Rh2 46.26(16) . . ? C5 Ru5 Rh2 40.83(16) . . ? Ru4 Ru5 Rh2 93.633(19) . . ? C12 Ru5 Ru6 171.7(2) . . ? C11 Ru5 Ru6 89.4(3) . . ? C10 Ru5 Ru6 94.1(2) . . ? C1A Ru5 Ru6 46.14(17) . . ? C5 Ru5 Ru6 87.7(2) . . ? Ru4 Ru5 Ru6 63.71(2) . . ? Rh2 Ru5 Ru6 61.286(17) . . ? C12 Ru5 Ru1 90.6(2) . . ? C11 Ru5 Ru1 177.2(3) . . ? C10 Ru5 Ru1 91.0(2) . . ? C1A Ru5 Ru1 43.77(17) . . ? C5 Ru5 Ru1 89.6(2) . . ? Ru4 Ru5 Ru1 57.891(17) . . ? Rh2 Ru5 Ru1 61.289(16) . . ? Ru6 Ru5 Ru1 89.90(2) . . ? C14 Ru6 C13 96.9(6) . . ? C14 Ru6 C15 92.9(4) . . ? C13 Ru6 C15 92.3(4) . . ? C14 Ru6 C1A 108.7(4) . . ? C13 Ru6 C1A 125.7(4) . . ? C15 Ru6 C1A 131.5(3) . . ? C14 Ru6 Ru5 87.0(3) . . ? C13 Ru6 Ru5 89.9(3) . . ? C15 Ru6 Ru5 177.8(3) . . ? C1A Ru6 Ru5 46.57(16) . . ? C14 Ru6 Ru3 115.9(5) . . ? C13 Ru6 Ru3 147.1(3) . . ? C15 Ru6 Ru3 87.1(3) . . ? C1A Ru6 Ru3 44.45(16) . . ? Ru5 Ru6 Ru3 90.90(2) . . ? C14 Ru6 Rh2 145.4(3) . . ? C13 Ru6 Rh2 88.3(3) . . ? C15 Ru6 Rh2 121.1(2) . . ? C1A Ru6 Rh2 44.91(16) . . ? Ru5 Ru6 Rh2 58.818(17) . . ? Ru3 Ru6 Rh2 64.445(17) . . ? C14 Ru6 Ru4 67.0(4) . . ? C13 Ru6 Ru4 142.6(2) . . ? C15 Ru6 Ru4 120.9(3) . . ? C1A Ru6 Ru4 43.70(16) . . ? Ru5 Ru6 Ru4 56.993(18) . . ? Ru3 Ru6 Ru4 59.093(18) . . ? Rh2 Ru6 Ru4 88.27(2) . . ? C20 P1 C26 101.9(3) . . ? C20 P1 C32 103.8(3) . . ? C26 P1 C32 105.9(3) . . ? C20 P1 Rh1A 115.87(19) . . ? C26 P1 Rh1A 115.3(2) . . ? C32 P1 Rh1A 112.72(19) . . ? C39 P2 C33 103.4(3) . . ? C39 P2 C32 100.3(3) . . ? C33 P2 C32 103.4(3) . . ? C39 P2 Pt1 116.73(19) . . ? C33 P2 Pt1 119.0(2) . . ? C32 P2 Pt1 111.51(17) . . ? C45 P3 C51 105.4(3) . . ? C45 P3 C57 103.9(3) . . ? C51 P3 C57 100.8(3) . . ? C45 P3 Pt1 116.3(2) . . ? C51 P3 Pt1 117.43(19) . . ? C57 P3 Pt1 111.13(18) . . ? C64 P4 C57 103.3(3) . . ? C64 P4 C58 101.5(3) . . ? C57 P4 C58 104.3(3) . . ? C64 P4 Pt2A 117.1(2) . . ? C57 P4 Pt2A 111.0(2) . . ? C58 P4 Pt2A 117.81(19) . . ? O1 C1 Ru1 178.5(7) . . ? O2 C2 Ru1 173.8(6) . . ? O3 C3 Ru1 141.3(5) . . ? O3 C3 Ru4 133.8(5) . . ? Ru1 C3 Ru4 84.8(3) . . ? O4 C4 Rh2 154.5(7) . . ? O4 C4 Pt2A 124.4(6) . . ? Rh2 C4 Pt2A 81.0(3) . . ? O5 C5 Rh2 158.6(7) . . ? O5 C5 Ru5 121.9(6) . . ? Rh2 C5 Ru5 79.4(3) . . ? O6 C6 Rh2 158.2(8) . . ? O6 C6 Rh1A 124.3(6) . . ? Rh2 C6 Rh1A 77.5(3) . . ? O8 C8 Ru3 148.5(13) . . ? O8 C8 Rh1A 130.0(11) . . ? Ru3 C8 Rh1A 81.3(4) . . ? O9 C9 Ru4 175.0(7) . . ? O10 C10 Ru4 133.6(6) . . ? O10 C10 Ru5 140.9(6) . . ? Ru4 C10 Ru5 85.5(2) . . ? O11 C11 Ru5 178.4(8) . . ? O12 C12 Ru5 175.1(7) . . ? O13 C13 Ru6 178.8(9) . . ? O14 C14 Ru6 165.6(15) . . ? O15 C15 Ru6 174.0(7) . . ? C25 C20 C21 118.5(6) . . ? C25 C20 P1 123.5(5) . . ? C21 C20 P1 118.1(5) . . ? C22 C21 C20 120.8(6) . . ? C22 C21 H21 119.6 . . ? C20 C21 H21 119.6 . . ? C21 C22 C23 120.6(6) . . ? C21 C22 H22 119.7 . . ? C23 C22 H22 119.7 . . ? C22 C23 C24 119.7(6) . . ? C22 C23 H23 120.1 . . ? C24 C23 H23 120.1 . . ? C25 C24 C23 119.8(7) . . ? C25 C24 H24 120.1 . . ? C23 C24 H24 120.1 . . ? C24 C25 C20 120.6(6) . . ? C24 C25 H25 119.7 . . ? C20 C25 H25 119.7 . . ? C31 C26 C27 119.1(6) . . ? C31 C26 P1 119.8(5) . . ? C27 C26 P1 121.1(5) . . ? C26 C27 C28 119.9(7) . . ? C26 C27 H27 120.1 . . ? C28 C27 H27 120.1 . . ? C29 C28 C27 120.2(7) . . ? C29 C28 H28 119.9 . . ? C27 C28 H28 119.9 . . ? C28 C29 C30 120.9(6) . . ? C28 C29 H29 119.6 . . ? C30 C29 H29 119.6 . . ? C29 C30 C31 118.6(7) . . ? C29 C30 H30 120.7 . . ? C31 C30 H30 120.7 . . ? C26 C31 C30 121.3(7) . . ? C26 C31 H31 119.4 . . ? C30 C31 H31 119.4 . . ? P2 C32 P1 110.5(3) . . ? P2 C32 H32A 109.5 . . ? P1 C32 H32A 109.5 . . ? P2 C32 H32B 109.5 . . ? P1 C32 H32B 109.5 . . ? H32A C32 H32B 108.1 . . ? C34 C33 C38 117.5(5) . . ? C34 C33 P2 122.2(5) . . ? C38 C33 P2 120.4(4) . . ? C35 C34 C33 120.8(6) . . ? C35 C34 H34 119.6 . . ? C33 C34 H34 119.6 . . ? C36 C35 C34 121.2(6) . . ? C36 C35 H35 119.4 . . ? C34 C35 H35 119.4 . . ? C35 C36 C37 119.2(6) . . ? C35 C36 H36 120.4 . . ? C37 C36 H36 120.4 . . ? C38 C37 C36 119.9(6) . . ? C38 C37 H37 120.1 . . ? C36 C37 H37 120.1 . . ? C37 C38 C33 121.4(6) . . ? C37 C38 H38 119.3 . . ? C33 C38 H38 119.3 . . ? C40 C39 C44 119.0(5) . . ? C40 C39 P2 120.4(4) . . ? C44 C39 P2 120.5(5) . . ? C41 C40 C39 119.7(6) . . ? C41 C40 H40 120.1 . . ? C39 C40 H40 120.1 . . ? C40 C41 C42 120.8(6) . . ? C40 C41 H41 119.6 . . ? C42 C41 H41 119.6 . . ? C43 C42 C41 119.7(6) . . ? C43 C42 H42 120.1 . . ? C41 C42 H42 120.1 . . ? C42 C43 C44 120.2(6) . . ? C42 C43 H43 119.9 . . ? C44 C43 H43 119.9 . . ? C43 C44 C39 120.6(6) . . ? C43 C44 H44 119.7 . . ? C39 C44 H44 119.7 . . ? C46 C45 C50 120.0(6) . . ? C46 C45 P3 119.6(5) . . ? C50 C45 P3 120.4(5) . . ? C47 C46 C45 119.9(8) . . ? C47 C46 H46 120.1 . . ? C45 C46 H46 120.1 . . ? C48 C47 C46 120.6(9) . . ? C48 C47 H47 119.7 . . ? C46 C47 H47 119.7 . . ? C47 C48 C49 119.7(7) . . ? C47 C48 H48 120.1 . . ? C49 C48 H48 120.1 . . ? C48 C49 C50 120.1(8) . . ? C48 C49 H49 119.9 . . ? C50 C49 H49 119.9 . . ? C45 C50 C49 119.6(8) . . ? C45 C50 H50 120.2 . . ? C49 C50 H50 120.2 . . ? C52 C51 C56 119.3(5) . . ? C52 C51 P3 123.1(5) . . ? C56 C51 P3 117.7(4) . . ? C51 C52 C53 119.9(6) . . ? C51 C52 H52 120.0 . . ? C53 C52 H52 120.0 . . ? C54 C53 C52 120.6(6) . . ? C54 C53 H53 119.7 . . ? C52 C53 H53 119.7 . . ? C55 C54 C53 120.0(6) . . ? C55 C54 H54 120.0 . . ? C53 C54 H54 120.0 . . ? C54 C55 C56 120.0(6) . . ? C54 C55 H55 120.0 . . ? C56 C55 H55 120.0 . . ? C51 C56 C55 120.2(6) . . ? C51 C56 H56 119.9 . . ? C55 C56 H56 119.9 . . ? P4 C57 P3 108.0(3) . . ? P4 C57 H57A 110.1 . . ? P3 C57 H57A 110.1 . . ? P4 C57 H57B 110.1 . . ? P3 C57 H57B 110.1 . . ? H57A C57 H57B 108.4 . . ? C59 C58 C63 118.4(6) . . ? C59 C58 P4 123.2(5) . . ? C63 C58 P4 118.3(5) . . ? C60 C59 C58 120.2(6) . . ? C60 C59 H59 119.9 . . ? C58 C59 H59 119.9 . . ? C61 C60 C59 121.1(7) . . ? C61 C60 H60 119.5 . . ? C59 C60 H60 119.5 . . ? C60 C61 C62 119.8(6) . . ? C60 C61 H61 120.1 . . ? C62 C61 H61 120.1 . . ? C63 C62 C61 119.4(7) . . ? C63 C62 H62 120.3 . . ? C61 C62 H62 120.3 . . ? C62 C63 C58 121.2(6) . . ? C62 C63 H63 119.4 . . ? C58 C63 H63 119.4 . . ? C69 C64 C65 119.2(6) . . ? C69 C64 P4 120.8(5) . . ? C65 C64 P4 120.0(5) . . ? C66 C65 C64 119.3(7) . . ? C66 C65 H65 120.4 . . ? C64 C65 H65 120.4 . . ? C67 C66 C65 120.3(7) . . ? C67 C66 H66 119.9 . . ? C65 C66 H66 119.9 . . ? C68 C67 C66 120.3(7) . . ? C68 C67 H67 119.9 . . ? C66 C67 H67 119.9 . . ? C67 C68 C69 120.3(8) . . ? C67 C68 H68 119.8 . . ? C69 C68 H68 119.8 . . ? C64 C69 C68 120.6(7) . . ? C64 C69 H69 119.7 . . ? C68 C69 H69 119.7 . . ? Cl97 C96 Cl96 114.8(7) . . ? Cl97 C96 H96A 108.6 . . ? Cl96 C96 H96A 108.6 . . ? Cl97 C96 H96B 108.6 . . ? Cl96 C96 H96B 108.6 . . ? H96A C96 H96B 107.5 . . ? Cl99 C98 Cl98 114.7(18) . . ? Cl99 C98 H98A 108.6 . . ? Cl98 C98 H98A 108.6 . . ? Cl99 C98 H98B 108.6 . . ? Cl98 C98 H98B 108.6 . . ? H98A C98 H98B 107.6 . . ? P4 Pt2A C4 97.14(19) . . ? P4 Pt2A Pt1 88.64(4) . . ? C4 Pt2A Pt1 127.7(2) . . ? P4 Pt2A Rh2 141.17(4) . . ? C4 Pt2A Rh2 44.03(19) . . ? Pt1 Pt2A Rh2 113.476(15) . . ? P4 Pt2A Ru3 147.53(4) . . ? C4 Pt2A Ru3 108.65(19) . . ? Pt1 Pt2A Ru3 90.783(13) . . ? Rh2 Pt2A Ru3 67.220(15) . . ? P4 Pt2A Rh1A 141.51(4) . . ? C4 Pt2A Rh1A 92.51(19) . . ? Pt1 Pt2A Rh1A 56.827(9) . . ? Rh2 Pt2A Rh1A 58.404(13) . . ? Ru3 Pt2A Rh1A 58.335(13) . . ? P4 Pt2A Ru1 115.63(4) . . ? C4 Pt2A Ru1 71.2(2) . . ? Pt1 Pt2A Ru1 148.780(14) . . ? Rh2 Pt2A Ru1 59.894(14) . . ? Ru3 Pt2A Ru1 58.120(14) . . ? Rh1A Pt2A Ru1 102.767(13) . . ? C8 Rh1A P1 101.5(3) . . ? C8 Rh1A C6 151.0(3) . . ? P1 Rh1A C6 95.14(19) . . ? C8 Rh1A Pt1 83.5(2) . . ? P1 Rh1A Pt1 88.44(4) . . ? C6 Rh1A Pt1 120.79(19) . . ? C8 Rh1A Rh2 113.5(3) . . ? P1 Rh1A Rh2 139.01(4) . . ? C6 Rh1A Rh2 44.30(19) . . ? Pt1 Rh1A Rh2 115.117(15) . . ? C8 Rh1A Ru3 46.3(3) . . ? P1 Rh1A Ru3 147.18(4) . . ? C6 Rh1A Ru3 111.90(19) . . ? Pt1 Rh1A Ru3 92.980(15) . . ? Rh2 Rh1A Ru3 68.502(15) . . ? C8 Rh1A Pt2A 93.1(3) . . ? P1 Rh1A Pt2A 141.51(4) . . ? C6 Rh1A Pt2A 88.26(18) . . ? Pt1 Rh1A Pt2A 57.817(9) . . ? Rh2 Rh1A Pt2A 59.113(13) . . ? Ru3 Rh1A Pt2A 60.781(14) . . ? Ru3 C1A Ru1 91.2(2) . . ? Ru3 C1A Rh2 98.6(2) . . ? Ru1 C1A Rh2 92.2(2) . . ? Ru3 C1A Ru4 90.3(2) . . ? Ru1 C1A Ru4 85.3(2) . . ? Rh2 C1A Ru4 170.8(3) . . ? Ru3 C1A Ru6 90.0(2) . . ? Ru1 C1A Ru6 177.6(3) . . ? Rh2 C1A Ru6 89.7(2) . . ? Ru4 C1A Ru6 92.5(2) . . ? Ru3 C1A Ru5 174.1(3) . . ? Ru1 C1A Ru5 91.4(2) . . ? Rh2 C1A Ru5 86.5(2) . . ? Ru4 C1A Ru5 84.7(2) . . ? Ru6 C1A Ru5 87.3(2) . . ? O7A C7A Ru3 171.6(11) . . ? O7C C7C Ru3 174.4(12) . . ? O7B C7B Ru3 169.8(15) . . ? O7D C7D Ru3 137.9(11) . . ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 27.52 _diffrn_measured_fraction_theta_full 0.996 _refine_diff_density_max 1.781 _refine_diff_density_min -2.198 _refine_diff_density_rms 0.177