Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2007 data_global _journal_coden_Cambridge 222 loop_ _publ_author_name 'Ramon Macias' 'Jonathan Bould' 'Josef Holub' 'John D. Kennedy' 'B. Stibr' 'M. Thornton-Pett' _publ_contact_author_name 'Ramon Macias' _publ_contact_author_address ; Inorganic Chemistry Univeristy of Zaragoza Pedro Cerbuna 12 Zaragoza 50009 SPAIN ; _publ_contact_author_email RMACIAS@UNIZAR.ES _publ_requested_journal 'Dalton Transactions' _publ_section_title ; Polyhedral Metallaheteroborane Chemistry. Synthesis, Spectroscopy, Structure and Dynamics of The Eleven-Vertex Rhodaazaborane [8,8-(PPh3)2-nido-8,7-RhNB9H11] and The Platinacarbaborane [9-(OMe)-8,8-(PMe2Ph)2-nido-8,7-PtCB9H10]. ; # Data for compound_1 data_[8,8-(PPh3)2-nido-8,7-RhNB9H11] _database_code_depnum_ccdc_archive 'CCDC 637884' _audit_creation_method SHELXL-97 _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety '2(C36 H41 B9 N P2 Rh), C Cl2' _chemical_formula_sum 'C36.50 H41 B9 Cl N P2 Rh' _chemical_formula_weight 791.29 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' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 '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' Rh Rh -1.1178 0.9187 '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' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.7567(12) _cell_length_b 11.936(2) _cell_length_c 17.698(2) _cell_angle_alpha 93.138(9) _cell_angle_beta 94.637(9) _cell_angle_gamma 105.790(9) _cell_volume 1970.4(5) _cell_formula_units_Z 2 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description blocks _exptl_crystal_colour yellow _exptl_crystal_size_max 0.60 _exptl_crystal_size_mid 0.40 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.334 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 808 _exptl_absorpt_coefficient_mu 0.610 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_correction_T_min 0.7109 _exptl_absorpt_correction_T_max 0.9140 _exptl_absorpt_process_details '(North et al., 1968)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 200(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Stoe STADI4 4-circle diffractometer' _diffrn_measurement_method 'omega two theta scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 8429 _diffrn_reflns_av_R_equivalents 0.0397 _diffrn_reflns_av_sigmaI/netI 0.0314 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 1.78 _diffrn_reflns_theta_max 25.01 _reflns_number_total 6954 _reflns_number_gt 5884 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'STAD14 (STOE, 1995)' _computing_cell_refinement 'STAD14 (STOE, 1995)' _computing_data_reduction 'X-RED (STOE, 1995)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP3 for Windows (Farrugia, 1997) Xseed (Barbour, 2001)' _computing_publication_material 'enCIFer (CCDC 2002)' _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^)+(0.0520P)^2^+2.0822P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6954 _refine_ls_number_parameters 502 _refine_ls_number_restraints 39 _refine_ls_R_factor_all 0.0465 _refine_ls_R_factor_gt 0.0347 _refine_ls_wR_factor_ref 0.0910 _refine_ls_wR_factor_gt 0.0861 _refine_ls_goodness_of_fit_ref 1.029 _refine_ls_restrained_S_all 1.042 _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 B1 B 0.1897(4) 0.6754(3) 0.2170(2) 0.0256(7) Uani 1 1 d . . . B2 B 0.1654(4) 0.6660(3) 0.3141(2) 0.0301(8) Uani 1 1 d . . . B3 B 0.0727(4) 0.5462(3) 0.2434(2) 0.0237(7) Uani 1 1 d . . . B4 B 0.1890(4) 0.5407(3) 0.16727(19) 0.0221(7) Uani 1 1 d . . . B5 B 0.3546(4) 0.6472(3) 0.1973(2) 0.0255(7) Uani 1 1 d . . . B6 B 0.3396(4) 0.7105(3) 0.2899(2) 0.0299(8) Uani 1 1 d . . . N7 N 0.1475(3) 0.5248(2) 0.32284(14) 0.0244(5) Uani 1 1 d . . . Rh8 Rh 0.13776(2) 0.383166(18) 0.233262(12) 0.01662(8) Uani 1 1 d . . . B9 B 0.3396(4) 0.4968(3) 0.2009(2) 0.0241(7) Uani 1 1 d . . . B10 B 0.4305(4) 0.6019(3) 0.2810(2) 0.0296(8) Uani 1 1 d . . . B11 B 0.2986(4) 0.6021(3) 0.3529(2) 0.0308(8) Uani 1 1 d . . . H1 H 0.150(4) 0.739(3) 0.1857(19) 0.029(9) Uiso 1 1 d . . . H2 H 0.105(4) 0.708(3) 0.351(2) 0.036(10) Uiso 1 1 d . . . H3 H -0.040(4) 0.520(3) 0.2345(18) 0.025(8) Uiso 1 1 d . . . H4 H 0.139(4) 0.530(3) 0.109(2) 0.034(9) Uiso 1 1 d . . . H5 H 0.425(4) 0.705(3) 0.161(2) 0.032(9) Uiso 1 1 d . . . H6 H 0.408(4) 0.801(4) 0.312(2) 0.050(11) Uiso 1 1 d . . . H7 H 0.090(4) 0.499(3) 0.357(2) 0.036(10) Uiso 1 1 d . . . H9 H 0.411(4) 0.447(3) 0.171(2) 0.042(10) Uiso 1 1 d . . . H10 H 0.545(4) 0.624(3) 0.2970(19) 0.029(9) Uiso 1 1 d . . . H11 H 0.327(4) 0.604(3) 0.414(2) 0.043(10) Uiso 1 1 d . . . H910 H 0.374(4) 0.498(3) 0.282(2) 0.041(10) Uiso 1 1 d . . . P1 P 0.11592(7) 0.26013(6) 0.13046(4) 0.01822(16) Uani 1 1 d D . . C111 C -0.0765(3) 0.1997(3) 0.10469(16) 0.0258(6) Uani 1 1 d D . . C112 C -0.1521(3) 0.2818(3) 0.08929(18) 0.0336(7) Uani 1 1 d D . . H112 H -0.1019 0.3624 0.0915 0.040 Uiso 1 1 calc R . . C113 C -0.2995(4) 0.2469(4) 0.0709(2) 0.0470(10) Uani 1 1 d D . . H113 H -0.3491 0.3032 0.0594 0.056 Uiso 1 1 calc R . . C114 C -0.3734(4) 0.1307(4) 0.0693(2) 0.0536(12) Uani 1 1 d D . . H114 H -0.4742 0.1064 0.0567 0.064 Uiso 1 1 calc R . . C115 C -0.3007(4) 0.0495(4) 0.0861(2) 0.0508(11) Uani 1 1 d D . . H115 H -0.3526 -0.0304 0.0859 0.061 Uiso 1 1 calc R . . C116 C -0.1521(4) 0.0825(3) 0.10352(17) 0.0343(8) Uani 1 1 d D . . H116 H -0.1034 0.0254 0.1144 0.041 Uiso 1 1 calc R . . C121 C 0.1999(3) 0.1432(2) 0.14564(16) 0.0218(6) Uani 1 1 d D . . C122 C 0.1716(4) 0.0434(3) 0.09579(18) 0.0301(7) Uani 1 1 d D . . H122 H 0.1042 0.0335 0.0524 0.036 Uiso 1 1 calc R . . C123 C 0.2410(4) -0.0414(3) 0.1090(2) 0.0372(8) Uani 1 1 d D . . H123 H 0.2185 -0.1106 0.0758 0.045 Uiso 1 1 calc R . . C124 C 0.3433(4) -0.0256(3) 0.1705(2) 0.0376(8) Uani 1 1 d D . . H124 H 0.3906 -0.0842 0.1796 0.045 Uiso 1 1 calc R . . C125 C 0.3767(3) 0.0750(3) 0.2186(2) 0.0342(8) Uani 1 1 d D . . H125 H 0.4490 0.0868 0.2599 0.041 Uiso 1 1 calc R . . C126 C 0.3045(3) 0.1591(3) 0.20667(18) 0.0262(6) Uani 1 1 d D . . H126 H 0.3267 0.2277 0.2403 0.031 Uiso 1 1 calc R . . C131 C 0.1872(3) 0.3087(2) 0.04106(16) 0.0217(6) Uani 1 1 d D . . C132 C 0.3309(3) 0.3180(3) 0.03306(18) 0.0309(7) Uani 1 1 d D . . H132 H 0.3881 0.2970 0.0729 0.037 Uiso 1 1 calc R . . C133 C 0.3914(4) 0.3574(3) -0.03225(19) 0.0378(8) Uani 1 1 d D . . H133 H 0.4898 0.3645 -0.0364 0.045 Uiso 1 1 calc R . . C134 C 0.3093(4) 0.3862(3) -0.09103(19) 0.0394(8) Uani 1 1 d D . . H134 H 0.3507 0.4129 -0.1358 0.047 Uiso 1 1 calc R . . C135 C 0.1670(4) 0.3762(4) -0.0845(2) 0.0427(9) Uani 1 1 d D . . H135 H 0.1102 0.3958 -0.1251 0.051 Uiso 1 1 calc R . . C136 C 0.1055(3) 0.3377(3) -0.01902(18) 0.0333(7) Uani 1 1 d D . . H136 H 0.0071 0.3311 -0.0153 0.040 Uiso 1 1 calc R . . P2 P 0.01645(7) 0.24246(6) 0.31611(4) 0.01801(16) Uani 1 1 d D . . C211 C 0.1211(3) 0.2425(2) 0.40654(16) 0.0231(6) Uani 1 1 d D . . C212 C 0.0601(4) 0.1752(3) 0.46364(19) 0.0352(8) Uani 1 1 d D . . H212 H -0.0357 0.1270 0.4550 0.042 Uiso 1 1 calc R . . C213 C 0.1386(4) 0.1783(3) 0.5329(2) 0.0431(9) Uani 1 1 d D . . H213 H 0.0962 0.1331 0.5719 0.052 Uiso 1 1 calc R . . C214 C 0.2789(4) 0.2474(3) 0.5453(2) 0.0418(9) Uani 1 1 d D . . H214 H 0.3328 0.2493 0.5928 0.050 Uiso 1 1 calc R . . C215 C 0.3405(4) 0.3132(3) 0.4893(2) 0.0385(8) Uani 1 1 d D . . H215 H 0.4367 0.3605 0.4982 0.046 Uiso 1 1 calc R . . C216 C 0.2628(3) 0.3108(3) 0.41966(18) 0.0278(7) Uani 1 1 d D . . H216 H 0.3062 0.3557 0.3809 0.033 Uiso 1 1 calc R . . C221 C -0.0714(3) 0.0864(2) 0.29430(16) 0.0224(6) Uani 1 1 d D . . C222 C 0.0158(4) 0.0128(3) 0.28538(19) 0.0321(7) Uani 1 1 d D . . H222 H 0.1168 0.0440 0.2928 0.038 Uiso 1 1 calc R . . C223 C -0.0431(5) -0.1057(3) 0.2658(2) 0.0460(10) Uani 1 1 d D . . H223 H 0.0175 -0.1550 0.2594 0.055 Uiso 1 1 calc R . . C224 C -0.1893(5) -0.1517(3) 0.2558(2) 0.0486(10) Uani 1 1 d D . . H224 H -0.2298 -0.2326 0.2416 0.058 Uiso 1 1 calc R . . C225 C -0.2767(4) -0.0806(3) 0.2663(2) 0.0479(10) Uani 1 1 d D . . H225 H -0.3777 -0.1129 0.2604 0.057 Uiso 1 1 calc R . . C226 C -0.2186(4) 0.0378(3) 0.2855(2) 0.0346(7) Uani 1 1 d D . . H226 H -0.2800 0.0862 0.2927 0.042 Uiso 1 1 calc R . . C231 C -0.1250(3) 0.3073(2) 0.34217(17) 0.0232(6) Uani 1 1 d D . . C232 C -0.2315(3) 0.3113(3) 0.28559(19) 0.0299(7) Uani 1 1 d D . . H232 H -0.2359 0.2725 0.2368 0.036 Uiso 1 1 calc R . . C233 C -0.3312(4) 0.3717(3) 0.3002(2) 0.0390(8) Uani 1 1 d D . . H233 H -0.4050 0.3722 0.2619 0.047 Uiso 1 1 calc R . . C234 C -0.3230(4) 0.4311(3) 0.3705(2) 0.0440(9) Uani 1 1 d D . . H234 H -0.3895 0.4742 0.3800 0.053 Uiso 1 1 calc R . . C235 C -0.2186(4) 0.4278(3) 0.4268(2) 0.0416(9) Uani 1 1 d D . . H235 H -0.2138 0.4683 0.4751 0.050 Uiso 1 1 calc R . . C236 C -0.1198(3) 0.3655(3) 0.41361(19) 0.0308(7) Uani 1 1 d D . . H236 H -0.0491 0.3626 0.4531 0.037 Uiso 1 1 calc R . . C1S C 0.5896(10) 0.1201(8) 0.4960(6) 0.054(2) Uiso 0.50 1 d P . . Cl1S Cl 0.4015(8) 0.0153(6) 0.4364(4) 0.145(2) Uiso 0.40 1 d P . . Cl2S Cl 0.3461(11) -0.0610(9) 0.4878(6) 0.154(3) Uiso 0.30 1 d P . . Cl3S Cl 0.5393(11) 0.0854(9) 0.4426(6) 0.158(3) Uiso 0.30 1 d P . . 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 B1 0.0284(18) 0.0210(17) 0.0290(18) 0.0047(14) 0.0078(14) 0.0077(14) B2 0.037(2) 0.0185(17) 0.034(2) -0.0002(14) 0.0115(16) 0.0052(14) B3 0.0219(17) 0.0218(16) 0.0292(18) 0.0032(13) 0.0083(14) 0.0073(13) B4 0.0227(16) 0.0213(16) 0.0223(17) 0.0037(13) 0.0044(13) 0.0051(13) B5 0.0256(17) 0.0201(16) 0.0292(18) 0.0029(14) 0.0066(14) 0.0024(13) B6 0.037(2) 0.0197(17) 0.0299(19) -0.0008(14) 0.0041(16) 0.0027(15) N7 0.0327(14) 0.0186(12) 0.0208(13) 0.0014(10) 0.0088(11) 0.0036(11) Rh8 0.01714(12) 0.01545(12) 0.01627(12) 0.00158(8) 0.00208(8) 0.00264(8) B9 0.0201(16) 0.0228(17) 0.0278(18) 0.0021(14) 0.0024(13) 0.0030(13) B10 0.0225(18) 0.0261(18) 0.036(2) 0.0000(15) -0.0033(15) 0.0016(14) B11 0.039(2) 0.0233(18) 0.0266(19) -0.0025(14) -0.0008(15) 0.0043(15) P1 0.0151(3) 0.0209(4) 0.0174(4) 0.0004(3) 0.0007(3) 0.0034(3) C111 0.0171(14) 0.0393(18) 0.0167(14) -0.0033(12) 0.0016(11) 0.0015(13) C112 0.0225(16) 0.048(2) 0.0294(17) -0.0036(15) -0.0002(13) 0.0111(14) C113 0.0235(18) 0.080(3) 0.039(2) -0.001(2) 0.0013(15) 0.0182(19) C114 0.0198(17) 0.099(4) 0.034(2) 0.004(2) 0.0004(15) 0.003(2) C115 0.035(2) 0.064(3) 0.032(2) 0.0019(18) 0.0047(16) -0.0211(19) C116 0.0309(17) 0.0419(19) 0.0206(16) 0.0014(14) 0.0010(13) -0.0055(15) C121 0.0235(14) 0.0228(15) 0.0211(14) 0.0049(11) 0.0076(11) 0.0077(12) C122 0.0401(18) 0.0251(16) 0.0248(16) 0.0008(13) 0.0063(14) 0.0078(14) C123 0.047(2) 0.0248(17) 0.043(2) 0.0029(14) 0.0165(17) 0.0112(15) C124 0.0379(19) 0.0315(18) 0.053(2) 0.0186(16) 0.0194(17) 0.0184(15) C125 0.0254(16) 0.0410(19) 0.0399(19) 0.0163(15) 0.0053(14) 0.0124(14) C126 0.0228(15) 0.0275(16) 0.0275(16) 0.0026(12) 0.0042(12) 0.0054(12) C131 0.0218(14) 0.0222(14) 0.0196(14) 0.0012(11) 0.0029(11) 0.0032(11) C132 0.0230(15) 0.046(2) 0.0257(16) 0.0060(14) 0.0029(12) 0.0118(14) C133 0.0277(17) 0.055(2) 0.0303(18) 0.0059(16) 0.0091(14) 0.0087(16) C134 0.038(2) 0.051(2) 0.0245(17) 0.0084(15) 0.0095(14) 0.0019(16) C135 0.043(2) 0.058(2) 0.0265(18) 0.0150(17) -0.0010(15) 0.0129(18) C136 0.0254(16) 0.048(2) 0.0278(17) 0.0090(15) 0.0013(13) 0.0123(15) P2 0.0161(3) 0.0185(4) 0.0185(4) 0.0023(3) 0.0022(3) 0.0029(3) C211 0.0242(15) 0.0225(15) 0.0233(15) 0.0021(12) 0.0003(12) 0.0082(12) C212 0.0337(18) 0.042(2) 0.0289(17) 0.0096(15) 0.0030(14) 0.0074(15) C213 0.057(2) 0.048(2) 0.0255(18) 0.0101(16) 0.0029(16) 0.0162(19) C214 0.056(2) 0.042(2) 0.0261(17) -0.0024(15) -0.0138(16) 0.0189(18) C215 0.0363(19) 0.0354(19) 0.038(2) -0.0044(15) -0.0137(15) 0.0073(15) C216 0.0261(16) 0.0266(16) 0.0290(16) 0.0009(13) -0.0023(13) 0.0059(13) C221 0.0246(15) 0.0206(14) 0.0202(14) 0.0032(11) 0.0051(12) 0.0021(12) C222 0.0353(18) 0.0258(16) 0.0371(18) 0.0083(14) 0.0160(14) 0.0071(14) C223 0.072(3) 0.0265(18) 0.046(2) 0.0086(16) 0.027(2) 0.0183(18) C224 0.072(3) 0.0218(17) 0.041(2) 0.0000(15) 0.0115(19) -0.0065(18) C225 0.039(2) 0.037(2) 0.053(2) 0.0051(17) -0.0024(18) -0.0124(17) C226 0.0264(16) 0.0319(18) 0.0407(19) 0.0040(15) 0.0017(14) 0.0002(14) C231 0.0178(14) 0.0231(15) 0.0288(16) 0.0060(12) 0.0073(12) 0.0038(11) C232 0.0250(16) 0.0352(18) 0.0308(17) 0.0058(14) 0.0044(13) 0.0097(13) C233 0.0252(17) 0.040(2) 0.055(2) 0.0133(17) 0.0051(16) 0.0134(15) C234 0.0350(19) 0.046(2) 0.060(3) 0.0094(18) 0.0195(18) 0.0221(17) C235 0.047(2) 0.042(2) 0.042(2) -0.0003(16) 0.0200(17) 0.0189(17) C236 0.0309(17) 0.0331(17) 0.0296(17) 0.0027(14) 0.0078(13) 0.0095(14) _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 B1 B2 1.760(5) . ? B1 B3 1.763(5) . ? B1 B5 1.787(5) . ? B1 B4 1.788(5) . ? B1 B6 1.812(5) . ? B1 H1 1.09(3) . ? B2 N7 1.663(4) . ? B2 B6 1.734(5) . ? B2 B11 1.788(6) . ? B2 B3 1.828(5) . ? B2 H2 1.10(4) . ? B3 N7 1.596(4) . ? B3 B4 1.841(5) . ? B3 Rh8 2.208(3) . ? B3 H3 1.05(3) . ? B4 B9 1.760(5) . ? B4 B5 1.782(5) . ? B4 Rh8 2.230(3) . ? B4 H4 1.08(4) . ? B5 B9 1.765(5) . ? B5 B10 1.778(5) . ? B5 B6 1.800(5) . ? B5 H5 1.11(3) . ? B6 B11 1.739(5) . ? B6 B10 1.766(5) . ? B6 H6 1.14(4) . ? N7 B11 1.545(5) . ? N7 Rh8 2.231(2) . ? N7 H7 0.87(4) . ? Rh8 B9 2.205(3) . ? Rh8 P1 2.2332(8) . ? Rh8 P2 2.4165(8) . ? B9 B10 1.835(5) . ? B9 H9 1.17(4) . ? B9 H910 1.44(4) . ? B10 B11 1.881(5) . ? B10 H10 1.08(3) . ? B10 H910 1.21(4) . ? B11 H11 1.09(4) . ? P1 C121 1.822(3) . ? P1 C111 1.828(3) . ? P1 C131 1.839(3) . ? C111 C116 1.391(4) . ? C111 C112 1.404(5) . ? C112 C113 1.389(5) . ? C112 H112 0.9500 . ? C113 C114 1.377(6) . ? C113 H113 0.9500 . ? C114 C115 1.379(6) . ? C114 H114 0.9500 . ? C115 C116 1.398(5) . ? C115 H115 0.9500 . ? C116 H116 0.9500 . ? C121 C126 1.392(4) . ? C121 C122 1.393(4) . ? C122 C123 1.382(5) . ? C122 H122 0.9500 . ? C123 C124 1.384(5) . ? C123 H123 0.9500 . ? C124 C125 1.380(5) . ? C124 H124 0.9500 . ? C125 C126 1.390(4) . ? C125 H125 0.9500 . ? C126 H126 0.9500 . ? C131 C136 1.393(4) . ? C131 C132 1.395(4) . ? C132 C133 1.387(5) . ? C132 H132 0.9500 . ? C133 C134 1.377(5) . ? C133 H133 0.9500 . ? C134 C135 1.376(5) . ? C134 H134 0.9500 . ? C135 C136 1.391(5) . ? C135 H135 0.9500 . ? C136 H136 0.9500 . ? P2 C211 1.828(3) . ? P2 C221 1.830(3) . ? P2 C231 1.833(3) . ? C211 C216 1.394(4) . ? C211 C212 1.395(4) . ? C212 C213 1.385(5) . ? C212 H212 0.9500 . ? C213 C214 1.386(5) . ? C213 H213 0.9500 . ? C214 C215 1.374(5) . ? C214 H214 0.9500 . ? C215 C216 1.388(5) . ? C215 H215 0.9500 . ? C216 H216 0.9500 . ? C221 C226 1.387(4) . ? C221 C222 1.391(4) . ? C222 C223 1.386(5) . ? C222 H222 0.9500 . ? C223 C224 1.375(6) . ? C223 H223 0.9500 . ? C224 C225 1.373(6) . ? C224 H224 0.9500 . ? C225 C226 1.383(5) . ? C225 H225 0.9500 . ? C226 H226 0.9500 . ? C231 C232 1.396(4) . ? C231 C236 1.399(4) . ? C232 C233 1.392(4) . ? C232 H232 0.9500 . ? C233 C234 1.384(5) . ? C233 H233 0.9500 . ? C234 C235 1.376(5) . ? C234 H234 0.9500 . ? C235 C236 1.394(5) . ? C235 H235 0.9500 . ? C236 H236 0.9500 . ? C1S Cl3S 1.038(12) . ? C1S Cl2S 1.098(12) 2_656 ? C1S Cl1S 2.080(12) 2_656 ? C1S Cl1S 2.083(12) . ? Cl1S Cl2S 1.362(11) . ? Cl1S Cl3S 1.369(11) . ? Cl1S C1S 2.080(12) 2_656 ? Cl2S C1S 1.098(12) 2_656 ? Cl2S Cl3S 1.687(14) 2_656 ? Cl2S Cl3S 2.419(14) . ? Cl3S Cl2S 1.687(14) 2_656 ? 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 B2 B1 B3 62.5(2) . . ? B2 B1 B5 110.8(3) . . ? B3 B1 B5 109.0(2) . . ? B2 B1 B4 114.5(2) . . ? B3 B1 B4 62.45(19) . . ? B5 B1 B4 59.81(18) . . ? B2 B1 B6 58.1(2) . . ? B3 B1 B6 104.6(2) . . ? B5 B1 B6 60.0(2) . . ? B4 B1 B6 106.9(2) . . ? B2 B1 H1 119.2(18) . . ? B3 B1 H1 121.9(18) . . ? B5 B1 H1 120.1(18) . . ? B4 B1 H1 118.6(18) . . ? B6 B1 H1 125.5(18) . . ? N7 B2 B6 100.5(2) . . ? N7 B2 B1 101.2(2) . . ? B6 B2 B1 62.5(2) . . ? N7 B2 B11 53.05(18) . . ? B6 B2 B11 59.2(2) . . ? B1 B2 B11 105.8(3) . . ? N7 B2 B3 54.16(17) . . ? B6 B2 B3 105.1(2) . . ? B1 B2 B3 58.80(19) . . ? B11 B2 B3 97.8(2) . . ? N7 B2 H2 116.5(19) . . ? B6 B2 H2 131.9(19) . . ? B1 B2 H2 131.0(19) . . ? B11 B2 H2 121.5(19) . . ? B3 B2 H2 121.0(19) . . ? N7 B3 B1 103.8(2) . . ? N7 B3 B2 57.63(19) . . ? B1 B3 B2 58.65(19) . . ? N7 B3 B4 110.3(2) . . ? B1 B3 B4 59.45(18) . . ? B2 B3 B4 108.8(2) . . ? N7 B3 Rh8 69.67(15) . . ? B1 B3 Rh8 118.3(2) . . ? B2 B3 Rh8 121.4(2) . . ? B4 B3 Rh8 66.11(15) . . ? N7 B3 H3 118.6(18) . . ? B1 B3 H3 127.2(18) . . ? B2 B3 H3 120.4(18) . . ? B4 B3 H3 123.3(18) . . ? Rh8 B3 H3 105.5(18) . . ? B9 B4 B5 59.78(19) . . ? B9 B4 B1 110.1(2) . . ? B5 B4 B1 60.08(19) . . ? B9 B4 B3 110.9(2) . . ? B5 B4 B3 105.8(2) . . ? B1 B4 B3 58.10(18) . . ? B9 B4 Rh8 65.87(15) . . ? B5 B4 Rh8 115.9(2) . . ? B1 B4 Rh8 116.1(2) . . ? B3 B4 Rh8 64.89(14) . . ? B9 B4 H4 127.4(19) . . ? B5 B4 H4 122.7(19) . . ? B1 B4 H4 113.3(19) . . ? B3 B4 H4 116.6(19) . . ? Rh8 B4 H4 116.2(19) . . ? B9 B5 B10 62.4(2) . . ? B9 B5 B4 59.48(18) . . ? B10 B5 B4 107.8(2) . . ? B9 B5 B1 109.9(2) . . ? B10 B5 B1 108.5(2) . . ? B4 B5 B1 60.12(19) . . ? B9 B5 B6 110.2(2) . . ? B10 B5 B6 59.1(2) . . ? B4 B5 B6 107.6(2) . . ? B1 B5 B6 60.7(2) . . ? B9 B5 H5 124.1(18) . . ? B10 B5 H5 119.8(18) . . ? B4 B5 H5 126.8(18) . . ? B1 B5 H5 118.9(18) . . ? B6 B5 H5 116.2(18) . . ? B2 B6 B11 61.9(2) . . ? B2 B6 B10 116.9(3) . . ? B11 B6 B10 64.9(2) . . ? B2 B6 B5 111.4(3) . . ? B11 B6 B5 110.0(2) . . ? B10 B6 B5 59.8(2) . . ? B2 B6 B1 59.5(2) . . ? B11 B6 B1 105.6(3) . . ? B10 B6 B1 108.0(2) . . ? B5 B6 B1 59.32(19) . . ? B2 B6 H6 118(2) . . ? B11 B6 H6 119(2) . . ? B10 B6 H6 116(2) . . ? B5 B6 H6 122(2) . . ? B1 B6 H6 127(2) . . ? B11 N7 B3 120.3(2) . . ? B11 N7 B2 67.6(2) . . ? B3 N7 B2 68.2(2) . . ? B11 N7 Rh8 116.1(2) . . ? B3 N7 Rh8 68.17(15) . . ? B2 N7 Rh8 129.16(19) . . ? B11 N7 H7 116(2) . . ? B3 N7 H7 116(2) . . ? B2 N7 H7 111(2) . . ? Rh8 N7 H7 111(2) . . ? B9 Rh8 B3 84.48(13) . . ? B9 Rh8 B4 46.76(12) . . ? B3 Rh8 B4 49.00(12) . . ? B9 Rh8 N7 86.29(11) . . ? B3 Rh8 N7 42.15(11) . . ? B4 Rh8 N7 78.57(11) . . ? B9 Rh8 P1 91.57(9) . . ? B3 Rh8 P1 128.55(10) . . ? B4 Rh8 P1 93.30(9) . . ? N7 Rh8 P1 170.60(7) . . ? B9 Rh8 P2 148.91(9) . . ? B3 Rh8 P2 111.60(9) . . ? B4 Rh8 P2 159.81(9) . . ? N7 Rh8 P2 88.82(7) . . ? P1 Rh8 P2 97.64(3) . . ? B4 B9 B5 60.74(19) . . ? B4 B9 B10 106.3(2) . . ? B5 B9 B10 59.2(2) . . ? B4 B9 Rh8 67.37(15) . . ? B5 B9 Rh8 117.9(2) . . ? B10 B9 Rh8 110.0(2) . . ? B4 B9 H9 132.8(19) . . ? B5 B9 H9 125.2(19) . . ? B10 B9 H9 115.5(19) . . ? Rh8 B9 H9 114.4(18) . . ? B4 B9 H910 119.1(15) . . ? B5 B9 H910 97.5(15) . . ? B10 B9 H910 41.2(15) . . ? Rh8 B9 H910 79.5(15) . . ? H9 B9 H910 107(2) . . ? B6 B10 B5 61.0(2) . . ? B6 B10 B9 108.6(2) . . ? B5 B10 B9 58.47(19) . . ? B6 B10 B11 56.9(2) . . ? B5 B10 B11 104.8(2) . . ? B9 B10 B11 108.1(2) . . ? B6 B10 H10 119.5(18) . . ? B5 B10 H10 123.0(18) . . ? B9 B10 H10 123.4(18) . . ? B11 B10 H10 122.1(18) . . ? B6 B10 H910 124.2(18) . . ? B5 B10 H910 106.5(18) . . ? B9 B10 H910 51.6(18) . . ? B11 B10 H910 79.1(18) . . ? H10 B10 H910 112(3) . . ? N7 B11 B6 105.2(3) . . ? N7 B11 B2 59.3(2) . . ? B6 B11 B2 58.9(2) . . ? N7 B11 B10 111.4(3) . . ? B6 B11 B10 58.2(2) . . ? B2 B11 B10 108.7(3) . . ? N7 B11 H11 116(2) . . ? B6 B11 H11 131(2) . . ? B2 B11 H11 122(2) . . ? B10 B11 H11 123(2) . . ? C121 P1 C111 110.36(14) . . ? C121 P1 C131 99.77(13) . . ? C111 P1 C131 104.34(13) . . ? C121 P1 Rh8 113.78(10) . . ? C111 P1 Rh8 105.70(9) . . ? C131 P1 Rh8 122.34(9) . . ? C116 C111 C112 118.9(3) . . ? C116 C111 P1 125.5(3) . . ? C112 C111 P1 115.5(2) . . ? C113 C112 C111 120.9(3) . . ? C113 C112 H112 119.6 . . ? C111 C112 H112 119.6 . . ? C114 C113 C112 119.9(4) . . ? C114 C113 H113 120.1 . . ? C112 C113 H113 120.1 . . ? C113 C114 C115 119.7(3) . . ? C113 C114 H114 120.1 . . ? C115 C114 H114 120.1 . . ? C114 C115 C116 121.4(4) . . ? C114 C115 H115 119.3 . . ? C116 C115 H115 119.3 . . ? C111 C116 C115 119.2(4) . . ? C111 C116 H116 120.4 . . ? C115 C116 H116 120.4 . . ? C126 C121 C122 118.9(3) . . ? C126 C121 P1 118.1(2) . . ? C122 C121 P1 122.8(2) . . ? C123 C122 C121 120.5(3) . . ? C123 C122 H122 119.8 . . ? C121 C122 H122 119.8 . . ? C122 C123 C124 120.1(3) . . ? C122 C123 H123 119.9 . . ? C124 C123 H123 119.9 . . ? C125 C124 C123 120.1(3) . . ? C125 C124 H124 120.0 . . ? C123 C124 H124 120.0 . . ? C124 C125 C126 120.0(3) . . ? C124 C125 H125 120.0 . . ? C126 C125 H125 120.0 . . ? C125 C126 C121 120.3(3) . . ? C125 C126 H126 119.8 . . ? C121 C126 H126 119.8 . . ? C136 C131 C132 118.1(3) . . ? C136 C131 P1 123.4(2) . . ? C132 C131 P1 118.5(2) . . ? C133 C132 C131 120.9(3) . . ? C133 C132 H132 119.5 . . ? C131 C132 H132 119.5 . . ? C134 C133 C132 120.3(3) . . ? C134 C133 H133 119.9 . . ? C132 C133 H133 119.9 . . ? C135 C134 C133 119.6(3) . . ? C135 C134 H134 120.2 . . ? C133 C134 H134 120.2 . . ? C134 C135 C136 120.6(3) . . ? C134 C135 H135 119.7 . . ? C136 C135 H135 119.7 . . ? C135 C136 C131 120.5(3) . . ? C135 C136 H136 119.8 . . ? C131 C136 H136 119.8 . . ? C211 P2 C221 101.54(13) . . ? C211 P2 C231 104.05(13) . . ? C221 P2 C231 105.61(13) . . ? C211 P2 Rh8 113.82(10) . . ? C221 P2 Rh8 128.66(9) . . ? C231 P2 Rh8 100.63(9) . . ? C216 C211 C212 119.1(3) . . ? C216 C211 P2 120.4(2) . . ? C212 C211 P2 120.5(2) . . ? C213 C212 C211 120.3(3) . . ? C213 C212 H212 119.9 . . ? C211 C212 H212 119.9 . . ? C212 C213 C214 119.9(3) . . ? C212 C213 H213 120.0 . . ? C214 C213 H213 120.0 . . ? C215 C214 C213 120.3(3) . . ? C215 C214 H214 119.9 . . ? C213 C214 H214 119.9 . . ? C214 C215 C216 120.2(3) . . ? C214 C215 H215 119.9 . . ? C216 C215 H215 119.9 . . ? C215 C216 C211 120.2(3) . . ? C215 C216 H216 119.9 . . ? C211 C216 H216 119.9 . . ? C226 C221 C222 118.3(3) . . ? C226 C221 P2 124.2(2) . . ? C222 C221 P2 117.5(2) . . ? C223 C222 C221 120.8(3) . . ? C223 C222 H222 119.6 . . ? C221 C222 H222 119.6 . . ? C224 C223 C222 119.9(4) . . ? C224 C223 H223 120.0 . . ? C222 C223 H223 120.0 . . ? C225 C224 C223 120.0(3) . . ? C225 C224 H224 120.0 . . ? C223 C224 H224 120.0 . . ? C224 C225 C226 120.4(4) . . ? C224 C225 H225 119.8 . . ? C226 C225 H225 119.8 . . ? C225 C226 C221 120.6(3) . . ? C225 C226 H226 119.7 . . ? C221 C226 H226 119.7 . . ? C232 C231 C236 118.9(3) . . ? C232 C231 P2 118.3(2) . . ? C236 C231 P2 122.2(2) . . ? C233 C232 C231 120.5(3) . . ? C233 C232 H232 119.8 . . ? C231 C232 H232 119.8 . . ? C234 C233 C232 120.0(3) . . ? C234 C233 H233 120.0 . . ? C232 C233 H233 120.0 . . ? C235 C234 C233 120.0(3) . . ? C235 C234 H234 120.0 . . ? C233 C234 H234 120.0 . . ? C234 C235 C236 120.7(3) . . ? C234 C235 H235 119.7 . . ? C236 C235 H235 119.7 . . ? C235 C236 C231 119.9(3) . . ? C235 C236 H236 120.1 . . ? C231 C236 H236 120.1 . . ? Cl3S C1S Cl2S 104.2(11) . 2_656 ? Cl3S C1S Cl1S 109.3(9) . 2_656 ? Cl2S C1S Cl1S 36.4(7) 2_656 2_656 ? Cl3S C1S Cl1S 35.0(7) . . ? Cl2S C1S Cl1S 106.1(9) 2_656 . ? Cl1S C1S Cl1S 90.1(4) 2_656 . ? Cl2S Cl1S Cl3S 124.8(8) . . ? Cl2S Cl1S C1S 28.6(5) . 2_656 ? Cl3S Cl1S C1S 104.4(6) . 2_656 ? Cl2S Cl1S C1S 102.8(6) . . ? Cl3S Cl1S C1S 25.8(5) . . ? C1S Cl1S C1S 89.9(4) 2_656 . ? C1S Cl2S Cl1S 115.0(10) 2_656 . ? C1S Cl2S Cl3S 36.6(7) 2_656 2_656 ? Cl1S Cl2S Cl3S 117.6(8) . 2_656 ? C1S Cl2S Cl3S 96.0(8) 2_656 . ? Cl1S Cl2S Cl3S 27.7(4) . . ? Cl3S Cl2S Cl3S 90.2(6) 2_656 . ? C1S Cl3S Cl1S 119.2(11) . . ? C1S Cl3S Cl2S 39.1(7) . 2_656 ? Cl1S Cl3S Cl2S 117.0(8) . 2_656 ? C1S Cl3S Cl2S 96.0(9) . . ? Cl1S Cl3S Cl2S 27.5(4) . . ? Cl2S Cl3S Cl2S 89.8(6) 2_656 . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.01 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.156 _refine_diff_density_min -0.706 _refine_diff_density_rms 0.082 # Attachment 'compound2.CIF' # Data for compound_2 data_[9-(OMe)-8,8-(PMe2Ph)-nido-8,7-PtCB9H10] _database_code_depnum_ccdc_archive 'CCDC 637885' _audit_creation_method SHELXL-97 _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C18 H35 B9 O P2 Pt' _chemical_formula_sum 'C18 H35 B9 O P2 Pt' _chemical_formula_weight 621.78 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' B B 0.0013 0.0007 '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' 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/a' _symmetry_int_tables_number 14 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x-1/2, -y-1/2, z' _cell_length_a 18.217(2) _cell_length_b 13.785(2) _cell_length_c 20.778(4) _cell_angle_alpha 90.00 _cell_angle_beta 99.890(10) _cell_angle_gamma 90.00 _cell_volume 5140.3(14) _cell_formula_units_Z 8 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used 60 _cell_measurement_theta_min 2.0 _cell_measurement_theta_max 25.0 _exptl_crystal_description Block _exptl_crystal_colour Yellow _exptl_crystal_size_max 0.60 _exptl_crystal_size_mid 0.40 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.607 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2432 _exptl_absorpt_coefficient_mu 5.594 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_correction_T_min 0.1807 _exptl_absorpt_correction_T_max 0.4008 _exptl_absorpt_process_details '(North et al., 1968)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 200(2) _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Stoe STADI4 4-circle diffractometer' _diffrn_measurement_method 'omega two theta scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 60 _diffrn_standards_decay_% 10 _diffrn_reflns_number 9459 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0299 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 2.02 _diffrn_reflns_theta_max 24.99 _reflns_number_total 9034 _reflns_number_gt 7155 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'STAD14 (STOE, 1995)' _computing_cell_refinement 'STAD14 (STOE, 1995)' _computing_data_reduction 'X-RED (STOE, 1995)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP3 for Windows (Farrugia, 1997) Xseed (Barbour, 2001)' _computing_publication_material 'enCIFer (CCDC 2002)' _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^)+(0.0319P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 9034 _refine_ls_number_parameters 605 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0362 _refine_ls_R_factor_gt 0.0202 _refine_ls_wR_factor_ref 0.0505 _refine_ls_wR_factor_gt 0.0488 _refine_ls_goodness_of_fit_ref 0.972 _refine_ls_restrained_S_all 0.972 _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 P1 P 0.23977(5) 0.29007(6) 0.18431(4) 0.02340(19) Uani 1 1 d . . . P2 P 0.38354(5) 0.30831(7) 0.09729(5) 0.0254(2) Uani 1 1 d . . . P3 P 0.22288(5) 0.24795(6) 0.67220(4) 0.02233(19) Uani 1 1 d . . . P4 P 0.36635(5) 0.22076(6) 0.58481(5) 0.02300(19) Uani 1 1 d . . . C11 C 0.1493(2) 0.2575(3) 0.20322(19) 0.0323(9) Uani 1 1 d . . . H11G H 0.1344 0.1940 0.1842 0.048 Uiso 1 1 calc R . . H11I H 0.1125 0.3063 0.1849 0.048 Uiso 1 1 calc R . . H11H H 0.1523 0.2547 0.2507 0.048 Uiso 1 1 calc R . . C12 C 0.2569(2) 0.4049(3) 0.22606(18) 0.0311(8) Uani 1 1 d . . . H12E H 0.2453 0.3993 0.2702 0.047 Uiso 1 1 calc R . . H12F H 0.2253 0.4550 0.2019 0.047 Uiso 1 1 calc R . . H12D H 0.3094 0.4228 0.2287 0.047 Uiso 1 1 calc R . . C21 C 0.43945(19) 0.1991(3) 0.1121(2) 0.0389(10) Uani 1 1 d . . . H20A H 0.4923 0.2157 0.1152 0.058 Uiso 1 1 calc R . . H20B H 0.4249 0.1534 0.0760 0.058 Uiso 1 1 calc R . . H20C H 0.4314 0.1692 0.1531 0.058 Uiso 1 1 calc R . . C22 C 0.4176(2) 0.3645(3) 0.02858(19) 0.0425(10) Uani 1 1 d . . . H24A H 0.4707 0.3795 0.0412 0.064 Uiso 1 1 calc R . . H24B H 0.3899 0.4244 0.0162 0.064 Uiso 1 1 calc R . . H24C H 0.4106 0.3197 -0.0086 0.064 Uiso 1 1 calc R . . C31 C 0.13190(19) 0.2801(3) 0.69035(18) 0.0303(8) Uani 1 1 d . . . H31A H 0.0951 0.2319 0.6710 0.045 Uiso 1 1 calc R . . H31B H 0.1175 0.3442 0.6721 0.045 Uiso 1 1 calc R . . H31C H 0.1341 0.2815 0.7378 0.045 Uiso 1 1 calc R . . C32 C 0.2403(2) 0.1342(2) 0.71492(18) 0.0302(8) Uani 1 1 d . . . H32A H 0.2931 0.1174 0.7188 0.045 Uiso 1 1 calc R . . H32B H 0.2099 0.0832 0.6906 0.045 Uiso 1 1 calc R . . H32C H 0.2273 0.1401 0.7586 0.045 Uiso 1 1 calc R . . C41 C 0.3932(2) 0.1450(3) 0.52122(19) 0.0343(9) Uani 1 1 d . . . H41A H 0.4473 0.1352 0.5299 0.051 Uiso 1 1 calc R . . H41B H 0.3787 0.1768 0.4788 0.051 Uiso 1 1 calc R . . H41C H 0.3680 0.0821 0.5207 0.051 Uiso 1 1 calc R . . C42 C 0.42195(19) 0.3297(3) 0.58290(19) 0.0335(9) Uani 1 1 d . . . H17A H 0.4122 0.3745 0.6171 0.050 Uiso 1 1 calc R . . H17B H 0.4087 0.3611 0.5402 0.050 Uiso 1 1 calc R . . H17C H 0.4749 0.3125 0.5904 0.050 Uiso 1 1 calc R . . H89 H 0.181(2) 0.122(2) 0.4906(19) 0.038(11) Uiso 1 1 d . . . H101 H 0.203(2) 0.417(3) 0.0092(19) 0.040(11) Uiso 1 1 d . . . C131 C 0.30125(19) 0.2019(3) 0.23141(18) 0.0289(8) Uani 1 1 d . . . C132 C 0.3434(2) 0.2223(3) 0.29184(19) 0.0391(10) Uani 1 1 d . . . H132 H 0.3407 0.2848 0.3105 0.047 Uiso 1 1 calc R . . C133 C 0.3896(2) 0.1518(4) 0.3255(2) 0.0526(12) Uani 1 1 d . . . H133 H 0.4189 0.1666 0.3667 0.063 Uiso 1 1 calc R . . C134 C 0.3928(2) 0.0612(4) 0.2991(3) 0.0549(13) Uani 1 1 d . . . H134 H 0.4244 0.0133 0.3222 0.066 Uiso 1 1 calc R . . C135 C 0.3505(3) 0.0388(3) 0.2392(3) 0.0530(13) Uani 1 1 d . . . H135 H 0.3525 -0.0244 0.2213 0.064 Uiso 1 1 calc R . . C136 C 0.3050(2) 0.1097(3) 0.2053(2) 0.0397(10) Uani 1 1 d . . . H136 H 0.2762 0.0948 0.1639 0.048 Uiso 1 1 calc R . . C231 C 0.41878(17) 0.3911(2) 0.16407(17) 0.0226(7) Uani 1 1 d . . . C232 C 0.40380(19) 0.4899(2) 0.15434(18) 0.0286(8) Uani 1 1 d . . . H232 H 0.3801 0.5123 0.1127 0.034 Uiso 1 1 calc R . . C233 C 0.4231(2) 0.5555(3) 0.20482(19) 0.0324(9) Uani 1 1 d . . . H233 H 0.4140 0.6227 0.1975 0.039 Uiso 1 1 calc R . . C234 C 0.4558(2) 0.5229(3) 0.26594(19) 0.0335(9) Uani 1 1 d . . . H234 H 0.4670 0.5674 0.3012 0.040 Uiso 1 1 calc R . . C235 C 0.4720(2) 0.4254(3) 0.27577(19) 0.0334(9) Uani 1 1 d . . . H235 H 0.4953 0.4034 0.3176 0.040 Uiso 1 1 calc R . . C236 C 0.45456(18) 0.3596(2) 0.22490(17) 0.0274(8) Uani 1 1 d . . . H236 H 0.4671 0.2930 0.2317 0.033 Uiso 1 1 calc R . . C331 C 0.28363(18) 0.3378(2) 0.71874(17) 0.0252(8) Uani 1 1 d . . . C332 C 0.2952(2) 0.4255(2) 0.68845(19) 0.0305(8) Uani 1 1 d . . . H332 H 0.2712 0.4374 0.6449 0.037 Uiso 1 1 calc R . . C333 C 0.3417(2) 0.4951(3) 0.7219(2) 0.0365(9) Uani 1 1 d . . . H333 H 0.3496 0.5546 0.7011 0.044 Uiso 1 1 calc R . . C334 C 0.3764(2) 0.4783(3) 0.7854(2) 0.0381(10) Uani 1 1 d . . . H334 H 0.4087 0.5258 0.8082 0.046 Uiso 1 1 calc R . . C335 C 0.3641(2) 0.3926(3) 0.81515(19) 0.0414(10) Uani 1 1 d . . . H335 H 0.3881 0.3810 0.8588 0.050 Uiso 1 1 calc R . . C336 C 0.3173(2) 0.3229(3) 0.78258(18) 0.0338(9) Uani 1 1 d . . . H336 H 0.3084 0.2645 0.8043 0.041 Uiso 1 1 calc R . . C431 C 0.40757(18) 0.1594(2) 0.65930(18) 0.0274(8) Uani 1 1 d . . . C432 C 0.4401(2) 0.2103(3) 0.71463(19) 0.0365(9) Uani 1 1 d . . . H432 H 0.4433 0.2791 0.7132 0.044 Uiso 1 1 calc R . . C433 C 0.4679(2) 0.1616(4) 0.7718(2) 0.0527(12) Uani 1 1 d . . . H433 H 0.4895 0.1968 0.8097 0.063 Uiso 1 1 calc R . . C434 C 0.4642(3) 0.0620(4) 0.7736(3) 0.0632(15) Uani 1 1 d . . . H434 H 0.4842 0.0284 0.8126 0.076 Uiso 1 1 calc R . . C435 C 0.4318(3) 0.0107(3) 0.7196(3) 0.0548(13) Uani 1 1 d . . . H435 H 0.4287 -0.0580 0.7216 0.066 Uiso 1 1 calc R . . C436 C 0.4037(2) 0.0590(3) 0.6622(2) 0.0388(10) Uani 1 1 d . . . H436 H 0.3816 0.0233 0.6247 0.047 Uiso 1 1 calc R . . B1A B 0.1152(2) 0.2086(4) -0.0449(2) 0.0413(11) Uani 1 1 d . . . H1A H 0.0708 0.1540 -0.0626 0.050 Uiso 1 1 calc R . . B2A B 0.1348(2) 0.2405(3) 0.0392(2) 0.0307(10) Uani 1 1 d . . . H2A H 0.1073 0.2031 0.0765 0.037 Uiso 1 1 calc R . . B3A B 0.2022(2) 0.1715(3) -0.0014(2) 0.0346(10) Uani 1 1 d . . . H3A H 0.2153 0.0934 0.0102 0.042 Uiso 1 1 calc R . . B4A B 0.1947(3) 0.2160(4) -0.0815(2) 0.0502(14) Uani 1 1 d . . . H4A H 0.2000 0.1699 -0.1249 0.060 Uiso 1 1 calc R . . B5A B 0.1358(3) 0.3159(4) -0.0892(2) 0.0491(13) Uani 1 1 d . . . H5A H 0.1079 0.3363 -0.1396 0.059 Uiso 1 1 calc R . . B6A B 0.0883(2) 0.3237(4) -0.0199(2) 0.0411(11) Uani 1 1 d . . . H6A H 0.0275 0.3409 -0.0249 0.049 Uiso 1 1 calc R . . Pt7A Pt 0.254471(7) 0.279232(9) 0.078158(6) 0.02095(4) Uani 1 1 d . . . C8A C 0.2640(2) 0.2473(3) -0.0218(2) 0.0357(9) Uani 1 1 d . . . H8A H 0.315(2) 0.222(3) -0.026(2) 0.042(11) Uiso 1 1 d . . . B9A B 0.2318(3) 0.3368(4) -0.0657(2) 0.0435(12) Uani 1 1 d . . . H9A H 0.2690(19) 0.377(2) -0.0952(18) 0.031(10) Uiso 1 1 d . . . B10A B 0.1548(3) 0.4130(4) -0.0340(3) 0.0409(11) Uani 1 1 d . . . H10A H 0.143(2) 0.484(3) -0.054(2) 0.057(13) Uiso 1 1 d . . . O11A O 0.13191(14) 0.42965(17) 0.09651(13) 0.0361(6) Uani 1 1 d . . . C11A C 0.1247(3) 0.5322(3) 0.0854(3) 0.0762(18) Uani 1 1 d . . . H11F H 0.1676 0.5559 0.0672 0.114 Uiso 1 1 calc R . . H11E H 0.1229 0.5653 0.1268 0.114 Uiso 1 1 calc R . . H11D H 0.0788 0.5455 0.0546 0.114 Uiso 1 1 calc R . . B11A B 0.1477(2) 0.3707(3) 0.0473(2) 0.0300(9) Uani 1 1 d . . . B1B B 0.1027(2) 0.3364(3) 0.4434(2) 0.0301(9) Uani 1 1 d . . . H1B H 0.0610 0.3948 0.4268 0.036 Uiso 1 1 calc R . . B2B B 0.1206(2) 0.3007(3) 0.5269(2) 0.0255(9) Uani 1 1 d . . . H2B H 0.090(2) 0.337(3) 0.5614(19) 0.043(11) Uiso 1 1 d . . . B3B B 0.0710(2) 0.2224(3) 0.4664(2) 0.0298(9) Uani 1 1 d . . . H3B H 0.0097 0.2088 0.4617 0.036 Uiso 1 1 calc R . . B4B B 0.1173(3) 0.2300(3) 0.3969(2) 0.0341(10) Uani 1 1 d . . . H4B H 0.0873 0.2137 0.3464 0.041 Uiso 1 1 calc R . . B5B B 0.1814(2) 0.3252(3) 0.4064(2) 0.0307(9) Uani 1 1 d . . . H5B H 0.1888 0.3728 0.3643 0.037 Uiso 1 1 calc R . . B6B B 0.1916(2) 0.3657(3) 0.4880(2) 0.0268(9) Uani 1 1 d . . . H6B H 0.2088 0.4421 0.5013 0.032 Uiso 1 1 calc R . . Pt7B Pt 0.238399(7) 0.255645(9) 0.565970(6) 0.01938(4) Uani 1 1 d . . . O8B O 0.11276(13) 0.11061(16) 0.58168(12) 0.0278(5) Uani 1 1 d . . . C8B C 0.1061(3) 0.0083(3) 0.5713(2) 0.0547(13) Uani 1 1 d . . . H30A H 0.0612 -0.0055 0.5393 0.082 Uiso 1 1 calc R . . H30B H 0.1025 -0.0240 0.6126 0.082 Uiso 1 1 calc R . . H30C H 0.1500 -0.0157 0.5549 0.082 Uiso 1 1 calc R . . B8B B 0.1298(2) 0.1703(3) 0.5325(2) 0.0250(9) Uani 1 1 d . . . B9B B 0.1342(2) 0.1296(3) 0.4497(2) 0.0303(9) Uani 1 1 d . . . H9B H 0.1153(18) 0.060(2) 0.4275(17) 0.028(9) Uiso 1 1 d . . . B10B B 0.2128(3) 0.2016(3) 0.4180(2) 0.0326(10) Uani 1 1 d . . . H10B H 0.2438(19) 0.160(3) 0.3885(18) 0.035(10) Uiso 1 1 d . . . C11B C 0.2492(2) 0.2856(3) 0.46559(18) 0.0295(8) Uani 1 1 d . . . H11B H 0.2990(18) 0.308(2) 0.4631(16) 0.018(8) Uiso 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 P1 0.0250(5) 0.0276(5) 0.0184(5) -0.0013(4) 0.0058(4) -0.0009(3) P2 0.0194(4) 0.0350(5) 0.0218(5) -0.0054(4) 0.0037(4) -0.0012(3) P3 0.0243(5) 0.0271(5) 0.0168(5) -0.0004(3) 0.0072(4) -0.0022(3) P4 0.0200(4) 0.0275(5) 0.0225(5) -0.0020(4) 0.0062(4) -0.0019(3) C11 0.031(2) 0.041(2) 0.026(2) 0.0042(16) 0.0087(17) -0.0015(16) C12 0.030(2) 0.039(2) 0.025(2) -0.0082(16) 0.0067(17) -0.0008(15) C21 0.0222(19) 0.040(2) 0.053(3) -0.0117(19) 0.0031(19) 0.0017(15) C22 0.037(2) 0.067(3) 0.026(2) -0.0051(19) 0.0131(19) -0.0137(19) C31 0.029(2) 0.038(2) 0.026(2) -0.0037(16) 0.0117(17) 0.0016(15) C32 0.036(2) 0.0283(19) 0.029(2) 0.0049(15) 0.0127(17) -0.0004(15) C41 0.034(2) 0.042(2) 0.029(2) -0.0058(17) 0.0121(18) 0.0025(16) C42 0.0280(19) 0.038(2) 0.035(2) -0.0012(17) 0.0081(18) -0.0096(15) C131 0.0271(19) 0.037(2) 0.024(2) 0.0099(15) 0.0094(16) -0.0013(15) C132 0.039(2) 0.054(3) 0.024(2) 0.0079(18) 0.0059(19) -0.0010(18) C133 0.036(2) 0.086(4) 0.035(3) 0.027(2) 0.002(2) -0.002(2) C134 0.036(2) 0.068(3) 0.064(4) 0.039(3) 0.018(3) 0.015(2) C135 0.050(3) 0.043(3) 0.070(4) 0.014(2) 0.022(3) 0.016(2) C136 0.037(2) 0.040(2) 0.042(3) 0.0056(19) 0.008(2) 0.0024(17) C231 0.0168(16) 0.0318(18) 0.0199(19) -0.0007(14) 0.0049(15) -0.0023(13) C232 0.0271(19) 0.0316(19) 0.026(2) 0.0042(15) 0.0008(16) 0.0020(14) C233 0.031(2) 0.0290(19) 0.037(2) -0.0030(16) 0.0044(18) -0.0021(15) C234 0.029(2) 0.038(2) 0.032(2) -0.0123(17) 0.0027(18) -0.0023(15) C235 0.026(2) 0.052(2) 0.020(2) -0.0003(17) -0.0023(17) 0.0037(16) C236 0.0251(18) 0.0308(19) 0.026(2) 0.0020(15) 0.0027(16) 0.0040(14) C331 0.0216(17) 0.0343(19) 0.0204(19) -0.0036(15) 0.0053(15) -0.0024(14) C332 0.032(2) 0.0302(19) 0.030(2) -0.0029(16) 0.0086(18) -0.0005(15) C333 0.036(2) 0.032(2) 0.042(3) -0.0035(17) 0.009(2) -0.0065(16) C334 0.034(2) 0.042(2) 0.040(3) -0.0169(18) 0.010(2) -0.0127(17) C335 0.044(2) 0.061(3) 0.019(2) -0.0082(19) 0.0053(19) -0.008(2) C336 0.039(2) 0.042(2) 0.023(2) -0.0024(16) 0.0108(18) -0.0088(17) C431 0.0194(17) 0.036(2) 0.027(2) 0.0032(15) 0.0061(16) 0.0057(14) C432 0.0220(19) 0.056(2) 0.032(2) -0.0006(18) 0.0044(17) -0.0012(16) C433 0.032(2) 0.095(4) 0.027(2) 0.004(2) -0.006(2) 0.005(2) C434 0.045(3) 0.098(4) 0.045(3) 0.033(3) 0.004(3) 0.030(3) C435 0.049(3) 0.056(3) 0.063(4) 0.027(3) 0.020(3) 0.023(2) C436 0.036(2) 0.040(2) 0.044(3) 0.0056(18) 0.015(2) 0.0110(17) B1A 0.027(2) 0.064(3) 0.031(3) -0.014(2) 0.000(2) -0.005(2) B2A 0.024(2) 0.040(2) 0.028(2) -0.0073(18) 0.0034(19) -0.0027(17) B3A 0.028(2) 0.042(3) 0.033(3) -0.017(2) 0.002(2) 0.0002(18) B4A 0.034(3) 0.088(4) 0.027(3) -0.026(3) 0.003(2) -0.011(2) B5A 0.034(3) 0.091(4) 0.020(3) -0.001(3) -0.001(2) -0.005(3) B6A 0.025(2) 0.062(3) 0.034(3) 0.005(2) -0.003(2) 0.006(2) Pt7A 0.01767(7) 0.02739(8) 0.01757(7) -0.00494(5) 0.00242(5) 0.00059(5) C8A 0.026(2) 0.057(3) 0.024(2) -0.0193(18) 0.0069(17) -0.0040(17) B9A 0.035(3) 0.075(4) 0.021(3) -0.006(2) 0.008(2) -0.013(2) B10A 0.039(3) 0.050(3) 0.032(3) 0.008(2) 0.001(2) 0.002(2) O11A 0.0423(16) 0.0330(14) 0.0348(17) 0.0000(11) 0.0120(13) 0.0080(11) C11A 0.120(5) 0.037(3) 0.081(4) 0.005(3) 0.043(4) 0.027(3) B11A 0.024(2) 0.037(2) 0.029(2) 0.0022(18) 0.0036(19) 0.0045(16) B1B 0.030(2) 0.035(2) 0.024(2) 0.0067(17) 0.0003(19) 0.0006(17) B2B 0.021(2) 0.029(2) 0.027(2) 0.0019(17) 0.0052(18) -0.0006(15) B3B 0.028(2) 0.038(2) 0.023(2) 0.0010(18) 0.0042(19) -0.0054(17) B4B 0.036(2) 0.048(3) 0.017(2) 0.0009(19) 0.003(2) -0.0091(19) B5B 0.029(2) 0.044(2) 0.018(2) 0.0065(18) 0.0009(18) -0.0070(18) B6B 0.030(2) 0.031(2) 0.020(2) 0.0019(16) 0.0057(18) -0.0019(16) Pt7B 0.01898(7) 0.02369(7) 0.01607(7) -0.00016(5) 0.00466(5) -0.00214(4) O8B 0.0355(14) 0.0249(12) 0.0253(14) -0.0022(10) 0.0118(12) -0.0065(10) C8B 0.095(4) 0.031(2) 0.046(3) -0.0002(19) 0.035(3) -0.013(2) B8B 0.0214(19) 0.030(2) 0.024(2) -0.0034(16) 0.0050(17) -0.0038(15) B9B 0.029(2) 0.037(2) 0.025(2) -0.0052(18) 0.004(2) -0.0067(17) B10B 0.040(2) 0.039(2) 0.022(2) -0.0007(18) 0.013(2) -0.0033(19) C11B 0.033(2) 0.036(2) 0.0193(19) 0.0090(15) 0.0048(17) -0.0050(16) _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 P1 C12 1.806(3) . ? P1 C11 1.815(4) . ? P1 C131 1.820(4) . ? P1 Pt7A 2.2719(10) . ? P2 C21 1.814(4) . ? P2 C22 1.824(4) . ? P2 C231 1.826(3) . ? P2 Pt7A 2.3508(9) . ? P3 C32 1.803(3) . ? P3 C31 1.817(3) . ? P3 C331 1.824(3) . ? P3 Pt7B 2.2753(10) . ? P4 C431 1.810(4) . ? P4 C41 1.816(4) . ? P4 C42 1.816(3) . ? P4 Pt7B 2.3461(9) . ? C11 H11G 0.9800 . ? C11 H11I 0.9800 . ? C11 H11H 0.9800 . ? C12 H12E 0.9800 . ? C12 H12F 0.9800 . ? C12 H12D 0.9800 . ? C21 H20A 0.9800 . ? C21 H20B 0.9800 . ? C21 H20C 0.9800 . ? C22 H24A 0.9800 . ? C22 H24B 0.9800 . ? C22 H24C 0.9800 . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? C41 H41A 0.9800 . ? C41 H41B 0.9800 . ? C41 H41C 0.9800 . ? C42 H17A 0.9800 . ? C42 H17B 0.9800 . ? C42 H17C 0.9800 . ? C131 C132 1.383(5) . ? C131 C136 1.388(5) . ? C132 C133 1.393(5) . ? C132 H132 0.9500 . ? C133 C134 1.369(7) . ? C133 H133 0.9500 . ? C134 C135 1.381(7) . ? C134 H134 0.9500 . ? C135 C136 1.392(5) . ? C135 H135 0.9500 . ? C136 H136 0.9500 . ? C231 C236 1.389(5) . ? C231 C232 1.397(5) . ? C232 C233 1.383(5) . ? C232 H232 0.9500 . ? C233 C234 1.381(5) . ? C233 H233 0.9500 . ? C234 C235 1.384(5) . ? C234 H234 0.9500 . ? C235 C236 1.388(5) . ? C235 H235 0.9500 . ? C236 H236 0.9500 . ? C331 C336 1.378(5) . ? C331 C332 1.395(5) . ? C332 C333 1.385(5) . ? C332 H332 0.9500 . ? C333 C334 1.382(6) . ? C333 H333 0.9500 . ? C334 C335 1.369(5) . ? C334 H334 0.9500 . ? C335 C336 1.383(5) . ? C335 H335 0.9500 . ? C336 H336 0.9500 . ? C431 C436 1.389(5) . ? C431 C432 1.390(5) . ? C432 C433 1.383(6) . ? C432 H432 0.9500 . ? C433 C434 1.376(7) . ? C433 H433 0.9500 . ? C434 C435 1.371(7) . ? C434 H434 0.9500 . ? C435 C436 1.385(6) . ? C435 H435 0.9500 . ? C436 H436 0.9500 . ? B1A B4A 1.751(7) . ? B1A B3A 1.760(6) . ? B1A B6A 1.765(7) . ? B1A B2A 1.777(6) . ? B1A B5A 1.815(8) . ? B1A H1A 1.1200 . ? B2A B6A 1.785(6) . ? B2A B11A 1.814(6) . ? B2A B3A 1.866(6) . ? B2A Pt7A 2.255(4) . ? B2A H2A 1.1200 . ? B3A C8A 1.643(6) . ? B3A B4A 1.757(7) . ? B3A Pt7A 2.304(4) . ? B3A H3A 1.1200 . ? B4A C8A 1.669(6) . ? B4A B5A 1.737(8) . ? B4A B9A 1.806(7) . ? B4A H4A 1.1200 . ? B5A B10A 1.757(7) . ? B5A B9A 1.758(6) . ? B5A B6A 1.804(7) . ? B5A H5A 1.1200 . ? B6A B11A 1.739(6) . ? B6A B10A 1.785(7) . ? B6A H6A 1.1200 . ? Pt7A C8A 2.158(4) . ? Pt7A B11A 2.313(4) . ? C8A B9A 1.586(7) . ? C8A H8A 1.01(4) . ? B9A B10A 1.955(7) . ? B9A H9A 1.13(4) . ? B10A B11A 1.814(7) . ? B10A H101 1.15(4) . ? B10A H10A 1.07(4) . ? O11A B11A 1.374(5) . ? O11A C11A 1.435(5) . ? C11A H11F 0.9800 . ? C11A H11E 0.9800 . ? C11A H11D 0.9800 . ? B11A H101 1.53(4) . ? B1B B5B 1.746(6) . ? B1B B6B 1.768(6) . ? B1B B3B 1.769(6) . ? B1B B2B 1.778(6) . ? B1B B4B 1.802(6) . ? B1B H1B 1.1200 . ? B2B B3B 1.781(6) . ? B2B B8B 1.808(5) . ? B2B B6B 1.867(6) . ? B2B Pt7B 2.247(4) . ? B2B H2B 1.11(4) . ? B3B B8B 1.745(6) . ? B3B B9B 1.794(6) . ? B3B B4B 1.797(6) . ? B3B H3B 1.1200 . ? B4B B5B 1.745(6) . ? B4B B9B 1.760(6) . ? B4B B10B 1.763(6) . ? B4B H4B 1.1200 . ? B5B C11B 1.678(5) . ? B5B B6B 1.763(6) . ? B5B B10B 1.800(6) . ? B5B H5B 1.1200 . ? B6B C11B 1.644(5) . ? B6B Pt7B 2.276(4) . ? B6B H6B 1.1200 . ? Pt7B C11B 2.168(4) . ? Pt7B B8B 2.304(4) . ? O8B B8B 1.388(5) . ? O8B C8B 1.429(4) . ? C8B H30A 0.9800 . ? C8B H30B 0.9800 . ? C8B H30C 0.9800 . ? B8B B9B 1.824(6) . ? B8B H89 1.54(4) . ? B9B B10B 1.947(6) . ? B9B H89 1.11(4) . ? B9B H9B 1.10(3) . ? B10B C11B 1.592(6) . ? B10B H10B 1.07(4) . ? C11B H11B 0.97(3) . ? 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 C12 P1 C11 101.60(17) . . ? C12 P1 C131 106.70(17) . . ? C11 P1 C131 102.48(16) . . ? C12 P1 Pt7A 118.98(13) . . ? C11 P1 Pt7A 117.18(13) . . ? C131 P1 Pt7A 108.29(12) . . ? C21 P2 C22 103.2(2) . . ? C21 P2 C231 106.01(17) . . ? C22 P2 C231 101.95(17) . . ? C21 P2 Pt7A 113.78(12) . . ? C22 P2 Pt7A 113.89(13) . . ? C231 P2 Pt7A 116.49(11) . . ? C32 P3 C31 101.50(17) . . ? C32 P3 C331 106.87(17) . . ? C31 P3 C331 102.50(16) . . ? C32 P3 Pt7B 118.53(13) . . ? C31 P3 Pt7B 117.38(13) . . ? C331 P3 Pt7B 108.51(12) . . ? C431 P4 C41 103.27(17) . . ? C431 P4 C42 104.71(17) . . ? C41 P4 C42 103.85(18) . . ? C431 P4 Pt7B 119.53(11) . . ? C41 P4 Pt7B 112.35(13) . . ? C42 P4 Pt7B 111.64(12) . . ? P1 C11 H11G 109.5 . . ? P1 C11 H11I 109.5 . . ? H11G C11 H11I 109.5 . . ? P1 C11 H11H 109.5 . . ? H11G C11 H11H 109.5 . . ? H11I C11 H11H 109.5 . . ? P1 C12 H12E 109.5 . . ? P1 C12 H12F 109.5 . . ? H12E C12 H12F 109.5 . . ? P1 C12 H12D 109.5 . . ? H12E C12 H12D 109.5 . . ? H12F C12 H12D 109.5 . . ? P2 C21 H20A 109.5 . . ? P2 C21 H20B 109.5 . . ? H20A C21 H20B 109.5 . . ? P2 C21 H20C 109.5 . . ? H20A C21 H20C 109.5 . . ? H20B C21 H20C 109.5 . . ? P2 C22 H24A 109.5 . . ? P2 C22 H24B 109.5 . . ? H24A C22 H24B 109.5 . . ? P2 C22 H24C 109.5 . . ? H24A C22 H24C 109.5 . . ? H24B C22 H24C 109.5 . . ? P3 C31 H31A 109.5 . . ? P3 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? P3 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? P3 C32 H32A 109.5 . . ? P3 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? P3 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? P4 C41 H41A 109.5 . . ? P4 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? P4 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? P4 C42 H17A 109.5 . . ? P4 C42 H17B 109.5 . . ? H17A C42 H17B 109.5 . . ? P4 C42 H17C 109.5 . . ? H17A C42 H17C 109.5 . . ? H17B C42 H17C 109.5 . . ? C132 C131 C136 118.9(4) . . ? C132 C131 P1 123.1(3) . . ? C136 C131 P1 117.9(3) . . ? C131 C132 C133 120.5(4) . . ? C131 C132 H132 119.8 . . ? C133 C132 H132 119.8 . . ? C134 C133 C132 119.9(4) . . ? C134 C133 H133 120.0 . . ? C132 C133 H133 120.0 . . ? C133 C134 C135 120.6(4) . . ? C133 C134 H134 119.7 . . ? C135 C134 H134 119.7 . . ? C134 C135 C136 119.4(4) . . ? C134 C135 H135 120.3 . . ? C136 C135 H135 120.3 . . ? C131 C136 C135 120.7(4) . . ? C131 C136 H136 119.7 . . ? C135 C136 H136 119.7 . . ? C236 C231 C232 119.1(3) . . ? C236 C231 P2 123.0(3) . . ? C232 C231 P2 117.7(3) . . ? C233 C232 C231 120.6(3) . . ? C233 C232 H232 119.7 . . ? C231 C232 H232 119.7 . . ? C234 C233 C232 119.9(3) . . ? C234 C233 H233 120.1 . . ? C232 C233 H233 120.1 . . ? C233 C234 C235 119.9(3) . . ? C233 C234 H234 120.0 . . ? C235 C234 H234 120.0 . . ? C234 C235 C236 120.5(4) . . ? C234 C235 H235 119.7 . . ? C236 C235 H235 119.7 . . ? C235 C236 C231 119.9(3) . . ? C235 C236 H236 120.0 . . ? C231 C236 H236 120.0 . . ? C336 C331 C332 119.1(3) . . ? C336 C331 P3 122.6(3) . . ? C332 C331 P3 118.3(3) . . ? C333 C332 C331 120.0(4) . . ? C333 C332 H332 120.0 . . ? C331 C332 H332 120.0 . . ? C334 C333 C332 120.2(4) . . ? C334 C333 H333 119.9 . . ? C332 C333 H333 119.9 . . ? C335 C334 C333 119.5(3) . . ? C335 C334 H334 120.3 . . ? C333 C334 H334 120.3 . . ? C334 C335 C336 120.9(4) . . ? C334 C335 H335 119.5 . . ? C336 C335 H335 119.5 . . ? C331 C336 C335 120.2(4) . . ? C331 C336 H336 119.9 . . ? C335 C336 H336 119.9 . . ? C436 C431 C432 119.0(4) . . ? C436 C431 P4 119.1(3) . . ? C432 C431 P4 121.8(3) . . ? C433 C432 C431 120.5(4) . . ? C433 C432 H432 119.8 . . ? C431 C432 H432 119.8 . . ? C434 C433 C432 119.7(4) . . ? C434 C433 H433 120.2 . . ? C432 C433 H433 120.2 . . ? C435 C434 C433 120.6(4) . . ? C435 C434 H434 119.7 . . ? C433 C434 H434 119.7 . . ? C434 C435 C436 120.1(4) . . ? C434 C435 H435 120.0 . . ? C436 C435 H435 120.0 . . ? C435 C436 C431 120.2(4) . . ? C435 C436 H436 119.9 . . ? C431 C436 H436 119.9 . . ? B4A B1A B3A 60.0(3) . . ? B4A B1A B6A 111.6(4) . . ? B3A B1A B6A 112.5(3) . . ? B4A B1A B2A 111.8(3) . . ? B3A B1A B2A 63.7(3) . . ? B6A B1A B2A 60.5(3) . . ? B4A B1A B5A 58.3(3) . . ? B3A B1A B5A 104.5(3) . . ? B6A B1A B5A 60.5(3) . . ? B2A B1A B5A 105.8(3) . . ? B4A B1A H1A 120.0 . . ? B3A B1A H1A 120.6 . . ? B6A B1A H1A 118.7 . . ? B2A B1A H1A 120.1 . . ? B5A B1A H1A 125.5 . . ? B1A B2A B6A 59.4(3) . . ? B1A B2A B11A 109.7(3) . . ? B6A B2A B11A 57.8(2) . . ? B1A B2A B3A 57.7(2) . . ? B6A B2A B3A 106.8(3) . . ? B11A B2A B3A 117.5(3) . . ? B1A B2A Pt7A 115.5(3) . . ? B6A B2A Pt7A 114.2(3) . . ? B11A B2A Pt7A 68.31(18) . . ? B3A B2A Pt7A 67.21(18) . . ? B1A B2A H2A 121.9 . . ? B6A B2A H2A 123.9 . . ? B11A B2A H2A 117.2 . . ? B3A B2A H2A 119.1 . . ? Pt7A B2A H2A 112.3 . . ? C8A B3A B4A 58.7(3) . . ? C8A B3A B1A 106.2(4) . . ? B4A B3A B1A 59.7(3) . . ? C8A B3A B2A 109.0(3) . . ? B4A B3A B2A 107.4(3) . . ? B1A B3A B2A 58.6(2) . . ? C8A B3A Pt7A 63.74(19) . . ? B4A B3A Pt7A 114.2(3) . . ? B1A B3A Pt7A 113.9(3) . . ? B2A B3A Pt7A 64.47(18) . . ? C8A B3A H3A 122.5 . . ? B4A B3A H3A 121.3 . . ? B1A B3A H3A 122.0 . . ? B2A B3A H3A 121.7 . . ? Pt7A B3A H3A 114.7 . . ? C8A B4A B5A 103.9(4) . . ? C8A B4A B1A 105.6(3) . . ? B5A B4A B1A 62.7(3) . . ? C8A B4A B3A 57.3(3) . . ? B5A B4A B3A 108.1(4) . . ? B1A B4A B3A 60.2(3) . . ? C8A B4A B9A 54.2(3) . . ? B5A B4A B9A 59.5(3) . . ? B1A B4A B9A 106.6(4) . . ? B3A B4A B9A 100.6(3) . . ? C8A B4A H4A 125.9 . . ? B5A B4A H4A 120.9 . . ? B1A B4A H4A 120.5 . . ? B3A B4A H4A 124.0 . . ? B9A B4A H4A 126.1 . . ? B4A B5A B10A 119.6(4) . . ? B4A B5A B9A 62.2(3) . . ? B10A B5A B9A 67.6(3) . . ? B4A B5A B6A 110.4(4) . . ? B10A B5A B6A 60.2(3) . . ? B9A B5A B6A 111.1(3) . . ? B4A B5A B1A 59.0(3) . . ? B10A B5A B1A 109.0(3) . . ? B9A B5A B1A 106.0(4) . . ? B6A B5A B1A 58.4(3) . . ? B4A B5A H5A 117.3 . . ? B10A B5A H5A 115.3 . . ? B9A B5A H5A 119.2 . . ? B6A B5A H5A 122.0 . . ? B1A B5A H5A 125.4 . . ? B11A B6A B1A 113.9(3) . . ? B11A B6A B2A 61.9(2) . . ? B1A B6A B2A 60.1(3) . . ? B11A B6A B10A 61.9(3) . . ? B1A B6A B10A 109.9(3) . . ? B2A B6A B10A 107.5(3) . . ? B11A B6A B5A 110.2(3) . . ? B1A B6A B5A 61.1(3) . . ? B2A B6A B5A 105.9(3) . . ? B10A B6A B5A 58.6(3) . . ? B11A B6A H6A 117.7 . . ? B1A B6A H6A 118.9 . . ? B2A B6A H6A 123.0 . . ? B10A B6A H6A 121.8 . . ? B5A B6A H6A 122.7 . . ? C8A Pt7A B2A 80.73(16) . . ? C8A Pt7A P1 171.74(11) . . ? B2A Pt7A P1 95.53(12) . . ? C8A Pt7A B3A 43.07(15) . . ? B2A Pt7A B3A 48.31(15) . . ? P1 Pt7A B3A 129.52(12) . . ? C8A Pt7A B11A 92.75(16) . . ? B2A Pt7A B11A 46.76(14) . . ? P1 Pt7A B11A 89.96(12) . . ? B3A Pt7A B11A 85.91(15) . . ? C8A Pt7A P2 87.35(11) . . ? B2A Pt7A P2 167.98(12) . . ? P1 Pt7A P2 96.08(3) . . ? B3A Pt7A P2 120.61(11) . . ? B11A Pt7A P2 136.27(11) . . ? B9A C8A B3A 116.1(3) . . ? B9A C8A B4A 67.3(3) . . ? B3A C8A B4A 64.1(3) . . ? B9A C8A Pt7A 108.2(3) . . ? B3A C8A Pt7A 73.2(2) . . ? B4A C8A Pt7A 126.4(3) . . ? B9A C8A H8A 118(2) . . ? B3A C8A H8A 119(2) . . ? B4A C8A H8A 116(2) . . ? Pt7A C8A H8A 112(2) . . ? C8A B9A B5A 106.5(4) . . ? C8A B9A B4A 58.5(3) . . ? B5A B9A B4A 58.3(3) . . ? C8A B9A B10A 116.1(3) . . ? B5A B9A B10A 56.2(3) . . ? B4A B9A B10A 106.8(3) . . ? C8A B9A H9A 119.6(18) . . ? B5A B9A H9A 126.1(18) . . ? B4A B9A H9A 126.2(18) . . ? B10A B9A H9A 116.8(18) . . ? B5A B10A B6A 61.2(3) . . ? B5A B10A B11A 109.0(3) . . ? B6A B10A B11A 57.8(3) . . ? B5A B10A B9A 56.2(3) . . ? B6A B10A B9A 103.4(3) . . ? B11A B10A B9A 108.1(3) . . ? B5A B10A H101 126.2(18) . . ? B6A B10A H101 111.1(18) . . ? B11A B10A H101 56.9(18) . . ? B9A B10A H101 78.1(18) . . ? B5A B10A H10A 116(2) . . ? B6A B10A H10A 126(2) . . ? B11A B10A H10A 128(2) . . ? B9A B10A H10A 118(2) . . ? H101 B10A H10A 110(3) . . ? B11A O11A C11A 119.2(3) . . ? O11A C11A H11F 109.5 . . ? O11A C11A H11E 109.5 . . ? H11F C11A H11E 109.5 . . ? O11A C11A H11D 109.5 . . ? H11F C11A H11D 109.5 . . ? H11E C11A H11D 109.5 . . ? O11A B11A B6A 129.5(3) . . ? O11A B11A B2A 127.9(3) . . ? B6A B11A B2A 60.3(2) . . ? O11A B11A B10A 124.1(3) . . ? B6A B11A B10A 60.3(3) . . ? B2A B11A B10A 105.1(3) . . ? O11A B11A Pt7A 113.0(3) . . ? B6A B11A Pt7A 113.4(3) . . ? B2A B11A Pt7A 64.93(18) . . ? B10A B11A Pt7A 104.0(2) . . ? O11A B11A H101 112.2(14) . . ? B6A B11A H101 96.6(15) . . ? B2A B11A H101 117.0(14) . . ? B10A B11A H101 38.9(14) . . ? Pt7A B11A H101 77.0(14) . . ? B5B B1B B6B 60.2(2) . . ? B5B B1B B3B 111.8(3) . . ? B6B B1B B3B 111.9(3) . . ? B5B B1B B2B 112.2(3) . . ? B6B B1B B2B 63.5(2) . . ? B3B B1B B2B 60.3(2) . . ? B5B B1B B4B 58.9(2) . . ? B6B B1B B4B 105.1(3) . . ? B3B B1B B4B 60.4(2) . . ? B2B B1B B4B 106.2(3) . . ? B5B B1B H1B 119.5 . . ? B6B B1B H1B 120.7 . . ? B3B B1B H1B 119.0 . . ? B2B B1B H1B 120.1 . . ? B4B B1B H1B 125.0 . . ? B1B B2B B3B 59.6(2) . . ? B1B B2B B8B 109.7(3) . . ? B3B B2B B8B 58.2(2) . . ? B1B B2B B6B 58.0(2) . . ? B3B B2B B6B 106.9(3) . . ? B8B B2B B6B 116.2(3) . . ? B1B B2B Pt7B 115.7(2) . . ? B3B B2B Pt7B 115.1(2) . . ? B8B B2B Pt7B 68.25(17) . . ? B6B B2B Pt7B 66.42(17) . . ? B1B B2B H2B 118.6(19) . . ? B3B B2B H2B 118.7(19) . . ? B8B B2B H2B 117.5(19) . . ? B6B B2B H2B 122.0(19) . . ? Pt7B B2B H2B 116.8(19) . . ? B8B B3B B1B 113.2(3) . . ? B8B B3B B2B 61.7(2) . . ? B1B B3B B2B 60.1(2) . . ? B8B B3B B9B 62.0(2) . . ? B1B B3B B9B 109.3(3) . . ? B2B B3B B9B 107.7(3) . . ? B8B B3B B4B 110.3(3) . . ? B1B B3B B4B 60.7(2) . . ? B2B B3B B4B 106.2(3) . . ? B9B B3B B4B 58.7(2) . . ? B8B B3B H3B 117.9 . . ? B1B B3B H3B 119.5 . . ? B2B B3B H3B 122.8 . . ? B9B B3B H3B 121.8 . . ? B4B B3B H3B 122.6 . . ? B5B B4B B9B 118.6(3) . . ? B5B B4B B10B 61.8(3) . . ? B9B B4B B10B 67.1(3) . . ? B5B B4B B3B 110.5(3) . . ? B9B B4B B3B 60.6(2) . . ? B10B B4B B3B 111.5(3) . . ? B5B B4B B1B 59.0(2) . . ? B9B B4B B1B 109.4(3) . . ? B10B B4B B1B 106.1(3) . . ? B3B B4B B1B 58.9(2) . . ? B5B B4B H4B 117.8 . . ? B9B B4B H4B 115.5 . . ? B10B B4B H4B 119.4 . . ? B3B B4B H4B 121.3 . . ? B1B B4B H4B 125.0 . . ? C11B B5B B4B 103.4(3) . . ? C11B B5B B1B 105.2(3) . . ? B4B B5B B1B 62.1(2) . . ? C11B B5B B6B 57.0(2) . . ? B4B B5B B6B 107.7(3) . . ? B1B B5B B6B 60.5(2) . . ? C11B B5B B10B 54.3(2) . . ? B4B B5B B10B 59.6(2) . . ? B1B B5B B10B 106.9(3) . . ? B6B B5B B10B 101.1(3) . . ? C11B B5B H5B 126.3 . . ? B4B B5B H5B 121.4 . . ? B1B B5B H5B 120.6 . . ? B6B B5B H5B 123.9 . . ? B10B B5B H5B 125.6 . . ? C11B B6B B5B 58.9(2) . . ? C11B B6B B1B 105.7(3) . . ? B5B B6B B1B 59.3(2) . . ? C11B B6B B2B 108.9(3) . . ? B5B B6B B2B 107.3(3) . . ? B1B B6B B2B 58.5(2) . . ? C11B B6B Pt7B 64.83(18) . . ? B5B B6B Pt7B 116.0(2) . . ? B1B B6B Pt7B 114.7(2) . . ? B2B B6B Pt7B 64.82(17) . . ? C11B B6B H6B 122.5 . . ? B5B B6B H6B 121.0 . . ? B1B B6B H6B 122.4 . . ? B2B B6B H6B 121.9 . . ? Pt7B B6B H6B 113.3 . . ? C11B Pt7B B2B 80.69(15) . . ? C11B Pt7B P3 171.52(10) . . ? B2B Pt7B P3 95.38(11) . . ? C11B Pt7B B6B 43.34(14) . . ? B2B Pt7B B6B 48.76(14) . . ? P3 Pt7B B6B 128.93(11) . . ? C11B Pt7B B8B 91.24(14) . . ? B2B Pt7B B8B 46.80(14) . . ? P3 Pt7B B8B 91.49(11) . . ? B6B Pt7B B8B 85.89(14) . . ? C11B Pt7B P4 87.01(10) . . ? B2B Pt7B P4 167.53(11) . . ? P3 Pt7B P4 96.55(3) . . ? B6B Pt7B P4 119.68(10) . . ? B8B Pt7B P4 136.25(10) . . ? B8B O8B C8B 119.8(3) . . ? O8B C8B H30A 109.5 . . ? O8B C8B H30B 109.5 . . ? H30A C8B H30B 109.5 . . ? O8B C8B H30C 109.5 . . ? H30A C8B H30C 109.5 . . ? H30B C8B H30C 109.5 . . ? O8B B8B B3B 129.6(3) . . ? O8B B8B B2B 127.3(3) . . ? B3B B8B B2B 60.1(2) . . ? O8B B8B B9B 124.3(3) . . ? B3B B8B B9B 60.3(2) . . ? B2B B8B B9B 105.3(3) . . ? O8B B8B Pt7B 111.7(2) . . ? B3B B8B Pt7B 114.0(2) . . ? B2B B8B Pt7B 64.95(17) . . ? B9B B8B Pt7B 105.6(2) . . ? O8B B8B H89 113.3(14) . . ? B3B B8B H89 94.9(14) . . ? B2B B8B H89 117.0(13) . . ? B9B B8B H89 37.2(14) . . ? Pt7B B8B H89 79.4(14) . . ? B4B B9B B3B 60.7(2) . . ? B4B B9B B8B 108.3(3) . . ? B3B B9B B8B 57.6(2) . . ? B4B B9B B10B 56.5(2) . . ? B3B B9B B10B 103.6(3) . . ? B8B B9B B10B 108.4(3) . . ? B4B B9B H89 125.7(18) . . ? B3B B9B H89 111.0(19) . . ? B8B B9B H89 57.1(19) . . ? B10B B9B H89 77.8(19) . . ? B4B B9B H9B 114.9(18) . . ? B3B B9B H9B 122.9(18) . . ? B8B B9B H9B 127.2(18) . . ? B10B B9B H9B 120.1(18) . . ? H89 B9B H9B 113(2) . . ? C11B B10B B4B 106.3(3) . . ? C11B B10B B5B 58.9(2) . . ? B4B B10B B5B 58.6(2) . . ? C11B B10B B9B 114.4(3) . . ? B4B B10B B9B 56.4(2) . . ? B5B B10B B9B 107.0(3) . . ? C11B B10B H10B 122.8(19) . . ? B4B B10B H10B 124.9(19) . . ? B5B B10B H10B 128(2) . . ? B9B B10B H10B 114.3(19) . . ? B10B C11B B6B 116.5(3) . . ? B10B C11B B5B 66.8(3) . . ? B6B C11B B5B 64.1(2) . . ? B10B C11B Pt7B 111.2(2) . . ? B6B C11B Pt7B 71.8(2) . . ? B5B C11B Pt7B 126.2(3) . . ? B10B C11B H11B 119(2) . . ? B6B C11B H11B 117.0(19) . . ? B5B C11B H11B 116.0(19) . . ? Pt7B C11B H11B 111(2) . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 24.99 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.984 _refine_diff_density_min -1.218 _refine_diff_density_rms 0.097