# Electronic Supplementary Material (ESI) for Nanoscale # This journal is © The Royal Society of Chemistry 2012 data_global _journal_name_full Nanoscale _journal_coden_cambridge 1542 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_email stefano.zacchini@unibo.it _publ_contact_author_name 'Stefano Zacchini' loop_ _publ_author_name 'Iacopo Ciabatti' 'Cristina Femoni' 'Maria Carmela Iapalucci' 'Giuliano Longoni' 'Stefano Zacchini' 'Salvatore Zarra' data_c2cqq _database_code_depnum_ccdc_archive 'CCDC 867747' #TrackingRef 'C2CQQ.CIF' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C220 H172 Br12 Cd12 N4 O20 P8 Pt26' _chemical_formula_weight 10819.44 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' O O 0.0106 0.0060 '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' Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Br Br -0.2901 2.4595 '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' N N 0.0061 0.0033 '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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 40.575(9) _cell_length_b 19.793(5) _cell_length_c 37.187(9) _cell_angle_alpha 90.00 _cell_angle_beta 116.285(3) _cell_angle_gamma 90.00 _cell_volume 26777(11) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9942 _cell_measurement_theta_min 2.343 _cell_measurement_theta_max 25.6445 _exptl_crystal_description prism _exptl_crystal_colour black _exptl_crystal_size_max 0.16 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.684 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 19296 _exptl_absorpt_coefficient_mu 16.336 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.1797 _exptl_absorpt_correction_T_max 0.2919 _exptl_absorpt_process_details ? _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 graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 91329 _diffrn_reflns_av_R_equivalents 0.1664 _diffrn_reflns_av_sigmaI/netI 0.1450 _diffrn_reflns_limit_h_min -48 _diffrn_reflns_limit_h_max 48 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -44 _diffrn_reflns_limit_l_max 44 _diffrn_reflns_theta_min 1.17 _diffrn_reflns_theta_max 25.03 _reflns_number_total 23556 _reflns_number_gt 11967 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1365P)^2^+689.5240P] 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 23556 _refine_ls_number_parameters 1222 _refine_ls_number_restraints 1493 _refine_ls_R_factor_all 0.1753 _refine_ls_R_factor_gt 0.0885 _refine_ls_wR_factor_ref 0.2872 _refine_ls_wR_factor_gt 0.2229 _refine_ls_goodness_of_fit_ref 1.031 _refine_ls_restrained_S_all 1.002 _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 0.24496(3) 0.17038(7) 0.96858(3) 0.0442(3) Uani 1 1 d . . . Pt2 Pt 0.24518(3) 0.08699(7) 1.02949(3) 0.0451(3) Uani 1 1 d . . . Pt3 Pt 0.32118(3) 0.15611(7) 0.99939(3) 0.0473(3) Uani 1 1 d . . . Pt4 Pt 0.21292(3) 0.29416(7) 0.95405(3) 0.0447(3) Uani 1 1 d . . . Pt5 Pt 0.28719(3) 0.28308(7) 0.98596(3) 0.0453(3) Uani 1 1 d . . . Pt6 Pt 0.26845(4) 0.04917(7) 0.96911(3) 0.0498(3) Uani 1 1 d . . . Pt7 Pt 0.20883(3) 0.11952(7) 0.89769(3) 0.0466(3) Uani 1 1 d . . . Pt8 Pt 0.16760(3) 0.17865(7) 0.93559(3) 0.0443(3) Uani 1 1 d . . . Pt9 Pt 0.16950(3) 0.11713(7) 1.00682(3) 0.0462(3) Uani 1 1 d . . . Pt10 Pt 0.24343(3) 0.24780(7) 0.90481(3) 0.0460(3) Uani 1 1 d . . . Pt11 Pt 0.29924(4) 0.13025(7) 1.10705(3) 0.0485(3) Uani 1 1 d . . . Pt12 Pt 0.35675(4) 0.18255(7) 1.08370(3) 0.0485(3) Uani 1 1 d . . . Pt13 Pt 0.32239(4) 0.25667(7) 0.94457(3) 0.0489(3) Uani 1 1 d . . . Cd1 Cd 0.37190(6) 0.26451(13) 1.02659(6) 0.0477(6) Uani 1 1 d . . . Cd2 Cd 0.22154(7) 0.12713(13) 1.08759(6) 0.0507(6) Uani 1 1 d . . . Cd3 Cd 0.28421(7) 0.12649(14) 0.91627(6) 0.0508(6) Uani 1 1 d . . . Cd4 Cd 0.16599(7) 0.24386(13) 0.86672(6) 0.0485(6) Uani 1 1 d . . . Cd5 Cd 0.19415(7) 0.04403(13) 0.95269(6) 0.0490(6) Uani 1 1 d . . . Cd6 Cd 0.31982(7) 0.05883(13) 1.05491(6) 0.0503(6) Uani 1 1 d . . . Br1 Br 0.44061(10) 0.25236(19) 1.04349(9) 0.0558(8) Uani 1 1 d . . . Br2 Br 0.21565(10) 0.06467(17) 1.14506(9) 0.0524(8) Uani 1 1 d . . . Br3 Br 0.31058(12) 0.0796(2) 0.87070(11) 0.0711(11) Uani 1 1 d . . . Br4 Br 0.11974(11) 0.2336(2) 0.79271(9) 0.0656(10) Uani 1 1 d . . . Br5 Br 0.15936(11) -0.06860(19) 0.92948(11) 0.0626(9) Uani 1 1 d . . . Br6 Br 0.35883(11) -0.0491(2) 1.07660(11) 0.0724(11) Uani 1 1 d . . . C1 C 0.2409(9) 0.2463(17) 0.8538(9) 0.050(8) Uani 1 1 d U . . C2 C 0.3499(10) 0.2418(18) 0.9164(10) 0.060(9) Uani 1 1 d U . . C3 C 0.3594(13) 0.106(2) 1.0020(12) 0.078(11) Uani 1 1 d U . . C4 C 0.4032(12) 0.155(2) 1.1118(12) 0.070(10) Uani 1 1 d U . . C5 C 0.2859(13) -0.027(2) 0.9630(12) 0.080(10) Uani 1 1 d U . . C6 C 0.3115(10) 0.0797(18) 1.1526(10) 0.058(8) Uani 1 1 d U . . C7 C 0.2373(11) -0.001(2) 1.0463(10) 0.061(9) Uani 1 1 d U . . C8 C 0.1416(9) 0.0450(16) 1.0081(8) 0.043(7) Uani 1 1 d U . . C9 C 0.1282(11) 0.1351(19) 0.8992(11) 0.063(9) Uani 1 1 d U . . C10 C 0.1824(9) 0.0784(17) 0.8494(9) 0.049(8) Uani 1 1 d U . . O1 O 0.2430(8) 0.2392(13) 0.8246(7) 0.071(7) Uani 1 1 d U . . O2 O 0.3667(8) 0.2311(14) 0.8980(9) 0.084(8) Uani 1 1 d U . . O3 O 0.3853(7) 0.0771(13) 1.0049(7) 0.067(7) Uani 1 1 d U . . O4 O 0.4340(9) 0.1386(16) 1.1309(9) 0.092(9) Uani 1 1 d U . . O5 O 0.2953(11) -0.0891(19) 0.9591(11) 0.123(11) Uani 1 1 d U . . O6 O 0.3210(7) 0.0447(13) 1.1818(7) 0.071(7) Uani 1 1 d U . . O7 O 0.2319(8) -0.0528(15) 1.0522(8) 0.083(8) Uani 1 1 d U . . O8 O 0.1242(8) 0.0003(13) 1.0114(8) 0.072(7) Uani 1 1 d U . . O9 O 0.1017(8) 0.1044(14) 0.8780(8) 0.080(8) Uani 1 1 d U . . O10 O 0.1667(7) 0.0471(13) 0.8196(8) 0.073(7) Uani 1 1 d U . . P1 P 1.0000 0.0534(7) 0.7500 0.067(4) Uani 1 2 d SD . . C21 C 0.9612(7) -0.0011(15) 0.7376(10) 0.105(7) Uani 1 1 d GDU . . C22 C 0.9625(7) -0.0478(17) 0.7661(8) 0.106(7) Uani 1 1 d GU . . H22 H 0.9826 -0.0476 0.7921 0.127 Uiso 1 1 calc R . . C23 C 0.9345(9) -0.0949(14) 0.7566(9) 0.106(7) Uani 1 1 d GU . . H23 H 0.9354 -0.1268 0.7760 0.127 Uiso 1 1 calc R . . C24 C 0.9050(8) -0.0952(14) 0.7185(10) 0.106(7) Uani 1 1 d GU . . H24 H 0.8858 -0.1273 0.7120 0.127 Uiso 1 1 calc R . . C25 C 0.9037(7) -0.0484(16) 0.6900(8) 0.106(7) Uani 1 1 d GU . . H25 H 0.8836 -0.0486 0.6640 0.127 Uiso 1 1 calc R . . C26 C 0.9318(9) -0.0014(14) 0.6995(9) 0.106(7) Uani 1 1 d GU . . H26 H 0.9308 0.0305 0.6800 0.127 Uiso 1 1 calc R . . C27 C 0.9907(8) 0.1098(12) 0.7087(7) 0.082(5) Uani 1 1 d GDU . . C28 C 1.0129(7) 0.1111(12) 0.6891(8) 0.082(5) Uani 1 1 d GU . . H28 H 1.0319 0.0787 0.6955 0.099 Uiso 1 1 calc R . . C29 C 1.0072(7) 0.1598(13) 0.6600(7) 0.082(5) Uani 1 1 d GU . . H29 H 1.0223 0.1607 0.6465 0.099 Uiso 1 1 calc R . . C30 C 0.9793(8) 0.2072(11) 0.6506(7) 0.083(5) Uani 1 1 d GU . . H30 H 0.9754 0.2405 0.6307 0.100 Uiso 1 1 calc R . . C31 C 0.9571(7) 0.2059(12) 0.6702(8) 0.083(5) Uani 1 1 d GU . . H31 H 0.9380 0.2383 0.6638 0.099 Uiso 1 1 calc R . . C32 C 0.9628(7) 0.1572(13) 0.6993(7) 0.083(5) Uani 1 1 d GU . . H32 H 0.9476 0.1563 0.7128 0.099 Uiso 1 1 calc R . . P2 P 0.3175(2) 0.1342(4) 0.7553(2) 0.055(2) Uani 1 1 d D . . C41 C 0.3195(6) 0.2227(6) 0.7665(6) 0.065(4) Uani 1 1 d GDU A . C42 C 0.3220(7) 0.2443(8) 0.8032(6) 0.065(4) Uani 1 1 d GDU . . H42 H 0.3208 0.2123 0.8217 0.078 Uiso 1 1 calc R A . C43 C 0.3261(7) 0.3126(9) 0.8129(5) 0.065(4) Uani 1 1 d GDU A . H43 H 0.3277 0.3273 0.8379 0.078 Uiso 1 1 calc R . . C44 C 0.3278(7) 0.3594(6) 0.7858(7) 0.065(4) Uani 1 1 d GDU . . H44 H 0.3306 0.4061 0.7924 0.078 Uiso 1 1 calc R A . C45 C 0.3253(7) 0.3378(8) 0.7492(6) 0.064(4) Uani 1 1 d GDU A . H45 H 0.3265 0.3698 0.7307 0.077 Uiso 1 1 calc R . . C46 C 0.3212(7) 0.2695(9) 0.7395(5) 0.064(4) Uani 1 1 d GDU . . H46 H 0.3195 0.2548 0.7144 0.077 Uiso 1 1 calc R A . C47 C 0.3128(6) 0.1222(13) 0.7058(4) 0.077(5) Uani 1 1 d GDU A . C48 C 0.3433(5) 0.1112(13) 0.6987(5) 0.078(5) Uani 1 1 d GDU . . H48 H 0.3672 0.1091 0.7205 0.094 Uiso 1 1 calc R A . C49 C 0.3388(6) 0.1032(14) 0.6596(6) 0.078(5) Uani 1 1 d GDU A . H49 H 0.3596 0.0957 0.6548 0.094 Uiso 1 1 calc R . . C50 C 0.3039(7) 0.1062(14) 0.6277(4) 0.077(5) Uani 1 1 d GDU . . H50 H 0.3008 0.1007 0.6010 0.093 Uiso 1 1 calc R A . C51 C 0.2734(6) 0.1171(14) 0.6348(4) 0.077(5) Uani 1 1 d GDU A . H51 H 0.2496 0.1192 0.6130 0.093 Uiso 1 1 calc R . . C52 C 0.2779(5) 0.1251(13) 0.6738(5) 0.077(5) Uani 1 1 d GDU . . H52 H 0.2571 0.1327 0.6787 0.092 Uiso 1 1 calc R A . C53 C 0.2779(5) 0.0976(10) 0.7570(8) 0.076(5) Uani 1 1 d GDU A . C54 C 0.2718(6) 0.0284(9) 0.7519(8) 0.077(5) Uani 1 1 d GDU . . H54 H 0.2889 0.0003 0.7480 0.092 Uiso 1 1 calc R A . C55 C 0.2407(6) 0.0002(9) 0.7525(8) 0.077(5) Uani 1 1 d GDU A . H55 H 0.2365 -0.0471 0.7490 0.093 Uiso 1 1 calc R . . C56 C 0.2156(5) 0.0412(12) 0.7583(8) 0.077(5) Uani 1 1 d GDU . . H56 H 0.1944 0.0220 0.7587 0.092 Uiso 1 1 calc R A . C57 C 0.2217(5) 0.1105(11) 0.7634(8) 0.077(5) Uani 1 1 d GDU A . H57 H 0.2046 0.1385 0.7673 0.092 Uiso 1 1 calc R . . C58 C 0.2528(6) 0.1386(8) 0.7628(8) 0.076(5) Uani 1 1 d GDU . . H58 H 0.2570 0.1859 0.7663 0.091 Uiso 1 1 calc R A . C59 C 0.3595(5) 0.0984(16) 0.7924(9) 0.077(6) Uiso 0.50(2) 1 d PGDU A 1 C60 C 0.3590(8) 0.0401(17) 0.8130(11) 0.077(6) Uiso 0.50(2) 1 d PGDU A 1 H60 H 0.3364 0.0182 0.8072 0.092 Uiso 0.50(2) 1 calc PR A 1 C61 C 0.3917(10) 0.014(2) 0.8422(12) 0.077(6) Uiso 0.50(2) 1 d PGDU A 1 H61 H 0.3914 -0.0261 0.8563 0.093 Uiso 0.50(2) 1 calc PR A 1 C62 C 0.4248(8) 0.046(2) 0.8508(11) 0.077(6) Uiso 0.50(2) 1 d PGDU A 1 H62 H 0.4472 0.0279 0.8708 0.093 Uiso 0.50(2) 1 calc PR A 1 C63 C 0.4253(5) 0.104(2) 0.8302(13) 0.077(6) Uiso 0.50(2) 1 d PGDU A 1 H63 H 0.4479 0.1260 0.8361 0.093 Uiso 0.50(2) 1 calc PR A 1 C64 C 0.3926(7) 0.1304(18) 0.8010(11) 0.077(6) Uiso 0.50(2) 1 d PGDU A 1 H64 H 0.3929 0.1703 0.7869 0.092 Uiso 0.50(2) 1 calc PR A 1 C59' C 0.3552(11) 0.0872(18) 0.7916(10) 0.077(6) Uiso 0.50(2) 1 d PGDU A 2 C60' C 0.3637(11) 0.0277(17) 0.7777(10) 0.077(6) Uiso 0.50(2) 1 d PGDU A 2 H60' H 0.3490 0.0133 0.7509 0.093 Uiso 0.50(2) 1 calc PR A 2 C61' C 0.3936(11) -0.0110(19) 0.8030(12) 0.077(6) Uiso 0.50(2) 1 d PGU A 2 H61' H 0.3994 -0.0517 0.7935 0.093 Uiso 0.50(2) 1 calc PR A 2 C62' C 0.4150(10) 0.010(2) 0.8422(12) 0.077(6) Uiso 0.50(2) 1 d PGU A 2 H62' H 0.4355 -0.0164 0.8595 0.093 Uiso 0.50(2) 1 calc PR A 2 C63' C 0.4066(11) 0.070(2) 0.8561(9) 0.077(6) Uiso 0.50(2) 1 d PGU A 2 H63' H 0.4213 0.0839 0.8829 0.093 Uiso 0.50(2) 1 calc PR A 2 C64' C 0.3767(12) 0.108(2) 0.8308(10) 0.077(6) Uiso 0.50(2) 1 d PGDU A 2 H64' H 0.3709 0.1489 0.8403 0.092 Uiso 0.50(2) 1 calc PR A 2 P3 P 0.3214(3) 0.8138(4) 0.8678(2) 0.058(2) Uani 1 1 d DU . . C71 C 0.2797(5) 0.8451(11) 0.8673(7) 0.081(4) Uani 1 1 d GDU . . C72 C 0.2589(6) 0.8070(10) 0.8811(8) 0.082(4) Uani 1 1 d GDU . . H72 H 0.2660 0.7620 0.8902 0.098 Uiso 1 1 calc R . . C73 C 0.2276(6) 0.8346(13) 0.8817(8) 0.083(4) Uani 1 1 d GDU . . H73 H 0.2134 0.8086 0.8911 0.099 Uiso 1 1 calc R . . C74 C 0.2172(5) 0.9004(13) 0.8684(8) 0.083(4) Uani 1 1 d GDU . . H74 H 0.1958 0.9193 0.8688 0.100 Uiso 1 1 calc R . . C75 C 0.2380(6) 0.9385(10) 0.8546(8) 0.083(4) Uani 1 1 d GDU . . H75 H 0.2309 0.9834 0.8455 0.100 Uiso 1 1 calc R . . C76 C 0.2693(6) 0.9108(10) 0.8540(8) 0.082(4) Uani 1 1 d GDU . . H76 H 0.2835 0.9369 0.8446 0.099 Uiso 1 1 calc R . . C77 C 0.3589(5) 0.8614(11) 0.9036(6) 0.091(4) Uani 1 1 d GDU . . C78 C 0.3541(5) 0.9243(11) 0.9173(7) 0.091(5) Uani 1 1 d GDU . . H78 H 0.3302 0.9431 0.9077 0.110 Uiso 1 1 calc R . . C79 C 0.3843(7) 0.9596(10) 0.9449(8) 0.093(5) Uani 1 1 d GDU . . H79 H 0.3811 1.0025 0.9543 0.111 Uiso 1 1 calc R . . C80 C 0.4193(6) 0.9320(14) 0.9590(7) 0.093(5) Uani 1 1 d GDU . . H80 H 0.4400 0.9561 0.9779 0.112 Uiso 1 1 calc R . . C81 C 0.4241(5) 0.8691(14) 0.9453(8) 0.093(5) Uani 1 1 d GDU . . H81 H 0.4481 0.8502 0.9549 0.112 Uiso 1 1 calc RD . . C82 C 0.3939(6) 0.8338(11) 0.9176(8) 0.092(5) Uani 1 1 d GDU . . H82 H 0.3972 0.7908 0.9083 0.111 Uiso 1 1 calc R . . C83 C 0.3195(6) 0.8265(13) 0.8188(4) 0.084(5) Uani 1 1 d GDU . . C84 C 0.3519(5) 0.8257(14) 0.8144(5) 0.085(5) Uani 1 1 d GDU . . H84 H 0.3749 0.8225 0.8374 0.101 Uiso 1 1 calc R . . C85 C 0.3504(6) 0.8295(15) 0.7764(6) 0.085(5) Uani 1 1 d GDU . . H85 H 0.3725 0.8290 0.7735 0.102 Uiso 1 1 calc R . . C86 C 0.3167(8) 0.8342(15) 0.7428(5) 0.086(5) Uani 1 1 d GDU . . H86 H 0.3157 0.8368 0.7168 0.103 Uiso 1 1 calc R . . C87 C 0.2844(6) 0.8350(15) 0.7471(4) 0.085(5) Uani 1 1 d GDU . . H87 H 0.2613 0.8382 0.7241 0.103 Uiso 1 1 calc R . . C88 C 0.2858(5) 0.8312(14) 0.7851(6) 0.085(5) Uani 1 1 d GDU . . H88 H 0.2637 0.8317 0.7881 0.101 Uiso 1 1 calc R . . C89 C 0.3263(7) 0.7260(6) 0.8807(6) 0.067(4) Uani 1 1 d GDU . . C90 C 0.3185(7) 0.6773(9) 0.8511(5) 0.067(4) Uani 1 1 d GDU . . H90 H 0.3108 0.6906 0.8241 0.080 Uiso 1 1 calc R . . C91 C 0.3220(7) 0.6092(7) 0.8611(6) 0.068(4) Uani 1 1 d GDU . . H91 H 0.3167 0.5759 0.8409 0.081 Uiso 1 1 calc R . . C92 C 0.3333(7) 0.5897(6) 0.9008(7) 0.068(4) Uani 1 1 d GDU . . H92 H 0.3356 0.5431 0.9076 0.082 Uiso 1 1 calc R . . C93 C 0.3411(7) 0.6384(9) 0.9304(5) 0.068(4) Uani 1 1 d GDU . . H93 H 0.3488 0.6250 0.9575 0.082 Uiso 1 1 calc R . . C94 C 0.3376(7) 0.7065(8) 0.9204(5) 0.068(4) Uani 1 1 d GDU . . H94 H 0.3430 0.7398 0.9406 0.082 Uiso 1 1 calc R . . P4 P 0.5507(2) 0.4607(5) 0.0947(2) 0.055(2) Uani 1 1 d D . . C101 C 0.5665(5) 0.5358(8) 0.0807(6) 0.059(4) Uani 1 1 d GDU . . C102 C 0.6036(4) 0.5525(9) 0.0961(5) 0.058(4) Uani 1 1 d GDU . . H102 H 0.6213 0.5273 0.1177 0.070 Uiso 1 1 calc R . . C103 C 0.6146(4) 0.6060(10) 0.0798(6) 0.058(4) Uani 1 1 d GDU . . H103 H 0.6399 0.6174 0.0903 0.069 Uiso 1 1 calc R . . C104 C 0.5887(5) 0.6428(9) 0.0481(6) 0.058(4) Uani 1 1 d GDU . . H104 H 0.5962 0.6794 0.0369 0.069 Uiso 1 1 calc R . . C105 C 0.5516(5) 0.6262(9) 0.0327(5) 0.059(4) Uani 1 1 d GDU . . H105 H 0.5339 0.6513 0.0110 0.071 Uiso 1 1 calc R . . C106 C 0.5406(4) 0.5726(10) 0.0490(6) 0.060(4) Uani 1 1 d GDU . . H106 H 0.5153 0.5613 0.0384 0.072 Uiso 1 1 calc R . . C107 C 0.5436(8) 0.3981(10) 0.0568(6) 0.134(9) Uani 1 1 d GDU . . C108 C 0.5590(10) 0.3984(13) 0.0300(8) 0.135(9) Uani 1 1 d GDU . . H108 H 0.5668 0.4398 0.0233 0.162 Uiso 1 1 calc R . . C109 C 0.5629(10) 0.3383(15) 0.0130(7) 0.136(9) Uani 1 1 d GDU . . H109 H 0.5734 0.3385 -0.0053 0.163 Uiso 1 1 calc R . . C110 C 0.5515(10) 0.2778(11) 0.0228(6) 0.136(9) Uani 1 1 d GDU . . H110 H 0.5542 0.2367 0.0112 0.164 Uiso 1 1 calc R . . C111 C 0.5361(9) 0.2774(10) 0.0496(8) 0.136(9) Uani 1 1 d GDU . . H111 H 0.5283 0.2360 0.0563 0.163 Uiso 1 1 calc R . . C112 C 0.5322(7) 0.3376(11) 0.0666(7) 0.135(9) Uani 1 1 d GDU . . H112 H 0.5217 0.3373 0.0850 0.162 Uiso 1 1 calc RD . . C113 C 0.5060(4) 0.4802(11) 0.0915(6) 0.069(4) Uani 1 1 d GDU . . C114 C 0.5028(4) 0.5360(10) 0.1125(7) 0.069(4) Uani 1 1 d GDU . . H114 H 0.5235 0.5642 0.1267 0.083 Uiso 1 1 calc R . . C115 C 0.4694(5) 0.5506(10) 0.1127(7) 0.069(4) Uani 1 1 d GDU . . H115 H 0.4673 0.5887 0.1271 0.083 Uiso 1 1 calc R . . C116 C 0.4391(4) 0.5094(12) 0.0920(7) 0.069(4) Uani 1 1 d GDU . . H116 H 0.4163 0.5193 0.0921 0.083 Uiso 1 1 calc R . . C117 C 0.4422(4) 0.4535(11) 0.0710(7) 0.069(4) Uani 1 1 d GDU . . H117 H 0.4215 0.4254 0.0568 0.082 Uiso 1 1 calc R . . C118 C 0.4757(4) 0.4390(9) 0.0708(6) 0.069(4) Uani 1 1 d GDU . . H118 H 0.4778 0.4008 0.0565 0.082 Uiso 1 1 calc RD . . C119 C 0.5824(6) 0.4390(10) 0.1448(4) 0.071(5) Uani 1 1 d GDU . . C120 C 0.5916(7) 0.4866(8) 0.1752(5) 0.072(5) Uani 1 1 d GDU . . H120 H 0.5839 0.5322 0.1688 0.086 Uiso 1 1 calc R . . C121 C 0.6122(7) 0.4676(10) 0.2150(4) 0.072(5) Uani 1 1 d GDU . . H121 H 0.6185 0.5002 0.2358 0.087 Uiso 1 1 calc R . . C122 C 0.6236(7) 0.4010(12) 0.2244(4) 0.073(5) Uani 1 1 d GDU . . H122 H 0.6376 0.3880 0.2515 0.088 Uiso 1 1 calc R . . C123 C 0.6144(7) 0.3533(9) 0.1940(5) 0.073(5) Uani 1 1 d GDU . . H123 H 0.6221 0.3078 0.2004 0.087 Uiso 1 1 calc R . . C124 C 0.5938(7) 0.3724(9) 0.1542(5) 0.072(5) Uani 1 1 d GDU . . H124 H 0.5875 0.3398 0.1334 0.087 Uiso 1 1 calc R . . P5 P 0.4740(5) 0.8627(10) 0.1228(5) 0.073(6) Uani 0.50 1 d PD B -1 C131 C 0.4380(8) 0.8138(14) 0.0852(8) 0.061(7) Uani 0.50 1 d PGDU B -1 C132 C 0.4106(9) 0.8427(14) 0.0510(9) 0.061(7) Uani 0.50 1 d PGDU B -1 H132 H 0.4112 0.8896 0.0460 0.073 Uiso 0.50 1 calc PR B -1 C133 C 0.3821(9) 0.803(2) 0.0240(9) 0.061(7) Uani 0.50 1 d PGDU B -1 H133 H 0.3633 0.8226 0.0007 0.073 Uiso 0.50 1 calc PR B -1 C134 C 0.3811(9) 0.7342(19) 0.0313(10) 0.061(7) Uani 0.50 1 d PGDU B -1 H134 H 0.3617 0.7070 0.0129 0.073 Uiso 0.50 1 calc PR B -1 C135 C 0.4086(11) 0.7053(14) 0.0655(11) 0.061(7) Uani 0.50 1 d PGDU B -1 H135 H 0.4080 0.6584 0.0705 0.073 Uiso 0.50 1 calc PR B -1 C136 C 0.4371(9) 0.7451(14) 0.0924(9) 0.061(7) Uani 0.50 1 d PGDU B -1 H136 H 0.4559 0.7254 0.1158 0.073 Uiso 0.50 1 calc PR B -1 C137 C 0.4640(11) 0.8774(19) 0.1643(9) 0.088(10) Uani 0.50 1 d PGDU B -1 C138 C 0.4404(13) 0.837(2) 0.1729(12) 0.088(10) Uani 0.50 1 d PGDU B -1 H138 H 0.4275 0.8010 0.1554 0.106 Uiso 0.50 1 calc PR B -1 C139 C 0.4358(15) 0.849(3) 0.2073(14) 0.088(10) Uani 0.50 1 d PGDU B -1 H139 H 0.4197 0.8211 0.2132 0.106 Uiso 0.50 1 calc PR B -1 C140 C 0.4548(16) 0.901(3) 0.2330(11) 0.088(10) Uani 0.50 1 d PGDU B -1 H140 H 0.4516 0.9094 0.2564 0.106 Uiso 0.50 1 calc PR B -1 C141 C 0.4783(15) 0.942(2) 0.2244(11) 0.089(10) Uani 0.50 1 d PGDU B -1 H141 H 0.4913 0.9776 0.2419 0.106 Uiso 0.50 1 calc PR B -1 C142 C 0.4830(13) 0.930(2) 0.1900(12) 0.089(10) Uani 0.50 1 d PGDU B -1 H142 H 0.4991 0.9575 0.1841 0.106 Uiso 0.50 1 calc PR B -1 C143 C 0.5157(8) 0.814(2) 0.1409(10) 0.092(10) Uani 0.50 1 d PGDU B -1 C144 C 0.5217(10) 0.772(2) 0.1143(11) 0.092(10) Uani 0.50 1 d PGDU B -1 H144 H 0.5043 0.7702 0.0869 0.111 Uiso 0.50 1 calc PR B -1 C145 C 0.5532(12) 0.732(2) 0.1279(15) 0.092(10) Uani 0.50 1 d PGDU B -1 H145 H 0.5573 0.7034 0.1098 0.111 Uiso 0.50 1 calc PR B -1 C146 C 0.5787(10) 0.734(3) 0.1681(16) 0.093(10) Uani 0.50 1 d PGDU B -1 H146 H 0.6002 0.7071 0.1774 0.111 Uiso 0.50 1 calc PR B -1 C147 C 0.5727(10) 0.776(3) 0.1946(12) 0.092(10) Uani 0.50 1 d PGDU B -1 H147 H 0.5901 0.7775 0.2220 0.111 Uiso 0.50 1 calc PR B -1 C148 C 0.5412(10) 0.816(2) 0.1810(10) 0.092(10) Uani 0.50 1 d PGDU B -1 H148 H 0.5371 0.8443 0.1992 0.111 Uiso 0.50 1 calc PR B -1 C149 C 0.4797(13) 0.9395(13) 0.1007(13) 0.114(12) Uani 0.50 1 d PGDU B -1 C150 C 0.4646(16) 0.9996(16) 0.1059(17) 0.114(12) Uani 0.50 1 d PGDU B -1 H150 H 0.4523 1.0005 0.1224 0.137 Uiso 0.50 1 calc PR B -1 C151 C 0.4677(19) 1.0582(15) 0.087(2) 0.114(12) Uani 0.50 1 d PGDU B -1 H151 H 0.4574 1.0993 0.0907 0.136 Uiso 0.50 1 calc PR B -1 C152 C 0.4858(19) 1.057(2) 0.0629(18) 0.114(12) Uani 0.50 1 d PGDU B -1 H152 H 0.4879 1.0969 0.0500 0.136 Uiso 0.50 1 calc PR B -1 C153 C 0.5009(19) 0.997(3) 0.0577(18) 0.114(12) Uani 0.50 1 d PGDU B -1 H153 H 0.5133 0.9958 0.0412 0.137 Uiso 0.50 1 calc PR B -1 C154 C 0.4979(16) 0.938(2) 0.0766(16) 0.114(12) Uani 0.50 1 d PGDU B -1 H154 H 0.5082 0.8971 0.0730 0.137 Uiso 0.50 1 calc PR B -1 C301 C 0.492(5) 1.132(6) 0.255(6) 0.18(4) Uiso 0.50 1 d PDU C -1 H30A H 0.5163 1.1540 0.2640 0.276 Uiso 0.50 1 calc PR C -1 H30B H 0.4777 1.1391 0.2264 0.276 Uiso 0.50 1 calc PR C -1 H30C H 0.4960 1.0833 0.2608 0.276 Uiso 0.50 1 calc PR C -1 C302 C 0.473(4) 1.161(5) 0.277(4) 0.19(4) Uiso 0.50 1 d PDU C -1 N303 N 0.460(3) 1.162(5) 0.299(3) 0.15(4) Uiso 0.50 1 d PDU C -1 C201 C 0.2581(15) 0.857(3) 0.0038(16) 0.124(14) Uiso 1 1 d DU . . H20A H 0.2603 0.8363 -0.0188 0.187 Uiso 1 1 calc R . . H20B H 0.2826 0.8664 0.0254 0.187 Uiso 1 1 calc R . . H20C H 0.2445 0.9000 -0.0049 0.187 Uiso 1 1 calc R . . C202 C 0.2384(16) 0.812(3) 0.0186(18) 0.123(14) Uiso 1 1 d DU . . N203 N 0.2200(14) 0.782(2) 0.0296(15) 0.128(16) Uiso 1 1 d DU . . C401 C 0.517(5) 0.713(7) 0.264(3) 0.21(5) Uiso 0.50 1 d PDU D -1 H40A H 0.5163 0.7606 0.2699 0.311 Uiso 0.50 1 calc PR D -1 H40B H 0.5429 0.6996 0.2715 0.311 Uiso 0.50 1 calc PR D -1 H40C H 0.5076 0.6854 0.2790 0.311 Uiso 0.50 1 calc PR D -1 C402 C 0.495(5) 0.701(6) 0.221(3) 0.21(5) Uiso 0.50 1 d PDU D -1 N403 N 0.481(3) 0.675(4) 0.190(3) 0.11(3) Uiso 0.50 1 d PDU D -1 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 0.0335(7) 0.0620(9) 0.0324(5) 0.0067(5) 0.0104(5) -0.0037(6) Pt2 0.0369(7) 0.0623(9) 0.0320(5) 0.0042(5) 0.0115(5) -0.0022(6) Pt3 0.0354(7) 0.0686(9) 0.0341(5) 0.0073(6) 0.0119(5) -0.0010(6) Pt4 0.0356(7) 0.0626(9) 0.0312(5) 0.0065(5) 0.0105(5) -0.0013(6) Pt5 0.0364(7) 0.0638(9) 0.0309(5) 0.0080(5) 0.0106(5) -0.0028(6) Pt6 0.0424(8) 0.0688(10) 0.0367(6) 0.0043(6) 0.0161(5) 0.0001(6) Pt7 0.0397(7) 0.0618(9) 0.0337(5) 0.0048(5) 0.0120(5) -0.0035(6) Pt8 0.0346(7) 0.0615(9) 0.0322(5) 0.0043(5) 0.0106(5) -0.0033(6) Pt9 0.0363(7) 0.0639(9) 0.0341(5) 0.0069(5) 0.0118(5) -0.0018(6) Pt10 0.0366(7) 0.0657(9) 0.0308(5) 0.0062(5) 0.0105(5) -0.0058(6) Pt11 0.0449(8) 0.0626(9) 0.0318(5) 0.0054(5) 0.0113(5) -0.0029(6) Pt12 0.0390(7) 0.0641(9) 0.0349(6) 0.0059(6) 0.0095(5) 0.0004(6) Pt13 0.0388(7) 0.0712(10) 0.0336(6) 0.0073(6) 0.0132(5) -0.0038(6) Cd1 0.0359(13) 0.0652(17) 0.0381(11) 0.0031(10) 0.0128(9) -0.0041(11) Cd2 0.0470(15) 0.0676(17) 0.0370(11) 0.0029(11) 0.0181(10) -0.0069(12) Cd3 0.0418(14) 0.0714(18) 0.0353(11) 0.0055(11) 0.0136(9) -0.0020(12) Cd4 0.0418(14) 0.0649(17) 0.0326(10) 0.0053(10) 0.0109(9) -0.0052(12) Cd5 0.0460(15) 0.0604(16) 0.0343(10) 0.0062(10) 0.0122(10) -0.0002(12) Cd6 0.0384(14) 0.0693(17) 0.0383(11) 0.0107(11) 0.0125(9) 0.0029(12) Br1 0.044(2) 0.068(2) 0.0489(17) 0.0025(16) 0.0148(14) -0.0006(17) Br2 0.061(2) 0.056(2) 0.0386(15) 0.0003(14) 0.0207(14) -0.0059(17) Br3 0.085(3) 0.079(3) 0.066(2) -0.001(2) 0.048(2) -0.006(2) Br4 0.060(2) 0.090(3) 0.0354(15) -0.0021(17) 0.0106(15) -0.005(2) Br5 0.057(2) 0.061(2) 0.071(2) 0.0021(18) 0.0294(18) -0.0028(18) Br6 0.063(3) 0.092(3) 0.065(2) 0.022(2) 0.0314(19) 0.021(2) C1 0.046(11) 0.057(12) 0.046(10) -0.006(8) 0.019(8) -0.006(8) C2 0.058(12) 0.063(12) 0.055(11) -0.001(8) 0.023(9) -0.001(9) C3 0.077(14) 0.078(14) 0.074(14) 0.004(9) 0.030(10) -0.004(9) C4 0.071(13) 0.065(13) 0.072(13) 0.002(9) 0.029(9) -0.004(9) C5 0.080(13) 0.089(12) 0.071(13) 0.003(9) 0.034(9) -0.006(9) C6 0.061(12) 0.061(12) 0.050(11) -0.006(8) 0.023(9) 0.006(9) C7 0.063(12) 0.065(13) 0.057(11) -0.004(8) 0.029(9) 0.002(9) C8 0.041(10) 0.045(11) 0.044(10) -0.012(8) 0.021(8) 0.004(8) C9 0.061(12) 0.063(13) 0.066(12) 0.002(9) 0.029(9) -0.011(9) C10 0.051(11) 0.052(11) 0.044(10) 0.007(8) 0.020(8) -0.001(8) O1 0.078(11) 0.076(11) 0.060(9) 0.002(8) 0.030(8) -0.005(8) O2 0.089(12) 0.091(12) 0.081(11) 0.002(8) 0.045(9) 0.003(8) O3 0.060(10) 0.075(10) 0.067(9) -0.010(8) 0.028(8) 0.003(8) O4 0.087(12) 0.095(12) 0.091(11) 0.002(8) 0.039(9) -0.004(9) O5 0.124(14) 0.122(13) 0.120(14) -0.008(9) 0.052(9) 0.021(9) O6 0.075(11) 0.073(11) 0.064(9) 0.002(8) 0.031(8) -0.007(8) O7 0.076(11) 0.077(11) 0.088(11) 0.021(8) 0.030(8) -0.011(8) O8 0.074(11) 0.072(11) 0.071(10) 0.004(8) 0.033(8) -0.008(8) O9 0.076(11) 0.084(11) 0.074(10) 0.009(8) 0.028(8) -0.016(8) O10 0.065(10) 0.081(11) 0.074(10) -0.004(8) 0.032(8) 0.011(8) P1 0.071(10) 0.073(10) 0.046(7) 0.000 0.016(6) 0.000 C21 0.107(8) 0.105(8) 0.104(7) 0.001(4) 0.047(5) -0.001(4) C22 0.107(8) 0.105(8) 0.105(7) 0.001(4) 0.047(5) -0.001(4) C23 0.107(8) 0.106(8) 0.105(7) 0.001(4) 0.047(5) -0.001(4) C24 0.107(8) 0.106(8) 0.105(7) 0.001(4) 0.047(5) -0.001(4) C25 0.107(8) 0.106(8) 0.105(7) 0.001(4) 0.047(5) -0.001(4) C26 0.107(8) 0.106(8) 0.104(7) 0.001(4) 0.047(5) -0.001(4) C27 0.098(15) 0.073(13) 0.082(11) -0.008(9) 0.046(10) -0.004(10) C28 0.099(15) 0.073(13) 0.082(11) -0.008(9) 0.046(10) -0.004(10) C29 0.099(15) 0.074(13) 0.082(11) -0.008(9) 0.046(10) -0.004(10) C30 0.099(15) 0.074(13) 0.082(11) -0.008(9) 0.045(10) -0.005(10) C31 0.099(15) 0.074(13) 0.082(11) -0.007(9) 0.046(10) -0.005(10) C32 0.099(15) 0.073(13) 0.082(11) -0.007(9) 0.046(10) -0.005(10) P2 0.049(6) 0.064(6) 0.045(4) -0.005(4) 0.014(4) 0.008(5) C41 0.055(10) 0.070(11) 0.068(9) -0.007(8) 0.026(8) -0.003(8) C42 0.055(10) 0.070(11) 0.069(9) -0.007(8) 0.026(8) -0.003(8) C43 0.055(10) 0.070(11) 0.069(9) -0.006(8) 0.026(8) -0.003(8) C44 0.055(10) 0.070(11) 0.069(9) -0.006(8) 0.027(8) -0.003(8) C45 0.054(10) 0.070(11) 0.069(9) -0.006(8) 0.028(8) -0.003(8) C46 0.054(10) 0.070(11) 0.069(9) -0.007(8) 0.027(8) -0.003(8) C47 0.079(13) 0.090(12) 0.061(9) -0.016(9) 0.031(8) -0.007(10) C48 0.079(13) 0.091(12) 0.062(9) -0.015(9) 0.030(8) -0.008(10) C49 0.079(13) 0.092(12) 0.062(9) -0.014(9) 0.030(8) -0.008(10) C50 0.079(13) 0.091(12) 0.062(9) -0.014(9) 0.031(8) -0.008(10) C51 0.079(13) 0.091(12) 0.062(9) -0.015(9) 0.031(8) -0.007(10) C52 0.079(13) 0.091(12) 0.061(9) -0.016(9) 0.031(8) -0.007(10) C53 0.076(13) 0.066(11) 0.091(11) -0.010(9) 0.041(10) -0.008(9) C54 0.076(13) 0.066(11) 0.091(11) -0.010(9) 0.040(10) -0.009(9) C55 0.077(13) 0.066(11) 0.091(11) -0.010(9) 0.040(10) -0.009(9) C56 0.077(13) 0.066(11) 0.091(11) -0.010(9) 0.040(10) -0.009(9) C57 0.077(13) 0.067(11) 0.091(11) -0.010(9) 0.041(10) -0.009(9) C58 0.076(13) 0.066(11) 0.091(11) -0.010(9) 0.041(10) -0.009(9) P3 0.072(6) 0.050(5) 0.048(4) 0.006(4) 0.022(4) 0.008(4) C71 0.082(5) 0.083(6) 0.082(6) -0.001(4) 0.039(4) 0.007(4) C72 0.082(5) 0.083(6) 0.082(6) 0.000(4) 0.038(4) 0.007(4) C73 0.083(5) 0.084(6) 0.083(6) 0.000(4) 0.038(4) 0.007(4) C74 0.083(5) 0.084(6) 0.083(6) -0.001(4) 0.037(4) 0.007(4) C75 0.083(5) 0.083(6) 0.083(6) -0.001(4) 0.037(4) 0.007(4) C76 0.082(5) 0.083(6) 0.083(6) -0.001(4) 0.038(4) 0.007(4) C77 0.087(5) 0.088(6) 0.091(6) -0.007(4) 0.034(4) -0.006(4) C78 0.087(6) 0.089(6) 0.092(6) -0.007(4) 0.034(4) -0.006(4) C79 0.088(6) 0.089(6) 0.093(6) -0.006(4) 0.033(4) -0.005(4) C80 0.089(6) 0.089(6) 0.094(6) -0.006(4) 0.033(4) -0.005(4) C81 0.088(6) 0.089(6) 0.094(6) -0.006(4) 0.033(4) -0.005(4) C82 0.088(6) 0.089(6) 0.093(6) -0.007(4) 0.033(4) -0.005(4) C83 0.091(14) 0.101(12) 0.064(7) 0.008(8) 0.039(8) 0.000(11) C84 0.091(14) 0.102(12) 0.065(7) 0.007(8) 0.038(8) 0.000(11) C85 0.092(14) 0.102(12) 0.065(7) 0.007(8) 0.038(8) 0.000(11) C86 0.092(14) 0.102(12) 0.065(7) 0.007(8) 0.037(8) 0.000(11) C87 0.092(14) 0.102(12) 0.065(7) 0.007(8) 0.037(8) 0.000(11) C88 0.091(14) 0.101(12) 0.064(7) 0.007(8) 0.037(8) 0.000(11) C89 0.077(11) 0.062(7) 0.064(9) 0.008(6) 0.033(8) 0.003(7) C90 0.077(11) 0.062(7) 0.064(9) 0.008(7) 0.033(8) 0.003(7) C91 0.077(11) 0.062(7) 0.065(9) 0.007(7) 0.032(8) 0.003(7) C92 0.077(11) 0.062(7) 0.065(9) 0.007(7) 0.031(8) 0.003(7) C93 0.077(11) 0.063(7) 0.064(9) 0.007(7) 0.031(8) 0.003(7) C94 0.077(11) 0.063(7) 0.065(9) 0.008(7) 0.032(8) 0.003(7) P4 0.045(5) 0.074(7) 0.044(4) 0.009(4) 0.017(4) 0.002(5) C101 0.048(9) 0.074(11) 0.053(8) 0.009(7) 0.021(6) -0.006(8) C102 0.047(9) 0.074(11) 0.052(8) 0.009(7) 0.021(6) -0.006(8) C103 0.047(9) 0.074(11) 0.052(8) 0.009(7) 0.022(6) -0.006(8) C104 0.047(9) 0.074(11) 0.052(8) 0.009(7) 0.022(6) -0.006(8) C105 0.048(9) 0.074(11) 0.053(8) 0.009(7) 0.021(6) -0.006(8) C106 0.049(9) 0.074(11) 0.054(8) 0.008(7) 0.020(6) -0.006(8) C107 0.134(9) 0.135(10) 0.135(9) -0.003(4) 0.060(5) 0.003(4) C108 0.134(9) 0.135(10) 0.136(9) -0.003(4) 0.060(5) 0.003(4) C109 0.134(9) 0.135(10) 0.136(9) -0.003(4) 0.059(5) 0.003(4) C110 0.135(9) 0.135(10) 0.137(9) -0.003(4) 0.058(5) 0.003(4) C111 0.134(9) 0.135(10) 0.137(9) -0.003(4) 0.059(5) 0.003(4) C112 0.134(9) 0.135(10) 0.136(9) -0.003(4) 0.059(5) 0.003(4) C113 0.050(10) 0.081(12) 0.075(10) 0.002(8) 0.026(8) -0.002(8) C114 0.050(10) 0.081(12) 0.075(10) 0.001(8) 0.026(8) -0.002(8) C115 0.050(10) 0.081(12) 0.075(10) 0.001(8) 0.026(8) -0.002(8) C116 0.050(10) 0.081(12) 0.075(10) 0.002(8) 0.026(8) -0.002(8) C117 0.049(10) 0.081(12) 0.074(10) 0.002(8) 0.027(8) -0.002(8) C118 0.049(10) 0.081(12) 0.075(10) 0.001(8) 0.027(8) -0.002(8) C119 0.077(12) 0.070(11) 0.055(8) -0.009(8) 0.019(8) 0.008(9) C120 0.078(12) 0.070(11) 0.055(8) -0.009(8) 0.019(8) 0.008(9) C121 0.078(12) 0.070(11) 0.056(8) -0.009(8) 0.018(8) 0.008(9) C122 0.079(12) 0.071(11) 0.056(8) -0.009(8) 0.017(8) 0.008(9) C123 0.079(12) 0.071(11) 0.056(8) -0.009(8) 0.018(8) 0.008(9) C124 0.078(12) 0.071(11) 0.056(8) -0.009(8) 0.019(8) 0.008(9) P5 0.048(13) 0.080(16) 0.071(12) 0.006(11) 0.007(9) 0.000(11) C131 0.061(8) 0.061(8) 0.061(8) -0.001(4) 0.027(5) -0.001(4) C132 0.061(8) 0.062(8) 0.060(8) -0.002(4) 0.027(5) -0.002(4) C133 0.061(8) 0.061(8) 0.060(8) -0.002(4) 0.027(5) -0.002(4) C134 0.061(8) 0.061(8) 0.060(8) -0.002(4) 0.027(5) -0.002(4) C135 0.061(8) 0.061(8) 0.060(8) -0.002(4) 0.027(5) -0.001(4) C136 0.061(8) 0.061(8) 0.061(8) -0.002(4) 0.027(5) -0.001(4) C137 0.088(11) 0.088(11) 0.088(10) -0.001(4) 0.039(6) 0.001(4) C138 0.088(11) 0.089(11) 0.088(10) -0.001(4) 0.039(6) 0.001(4) C139 0.088(11) 0.089(11) 0.088(10) -0.001(4) 0.039(6) 0.000(4) C140 0.088(11) 0.089(11) 0.088(10) -0.001(4) 0.039(6) 0.000(4) C141 0.088(11) 0.089(11) 0.088(10) -0.001(4) 0.039(6) 0.000(4) C142 0.088(11) 0.089(11) 0.088(10) -0.001(4) 0.038(6) 0.001(4) C143 0.091(11) 0.091(11) 0.092(11) 0.000(4) 0.039(6) 0.000(4) C144 0.092(11) 0.091(11) 0.093(11) 0.000(4) 0.039(6) 0.000(4) C145 0.092(11) 0.091(11) 0.093(11) 0.000(4) 0.039(6) 0.000(4) C146 0.092(11) 0.091(11) 0.093(11) 0.000(4) 0.039(6) 0.000(4) C147 0.091(11) 0.091(11) 0.093(11) 0.000(4) 0.039(6) 0.000(4) C148 0.091(11) 0.091(11) 0.093(11) 0.000(4) 0.039(6) 0.000(4) C149 0.113(13) 0.113(13) 0.114(13) 0.001(4) 0.050(7) -0.001(4) C150 0.113(13) 0.113(13) 0.114(13) 0.001(4) 0.050(7) 0.000(4) C151 0.113(13) 0.113(13) 0.114(13) 0.001(4) 0.050(7) 0.000(4) C152 0.113(13) 0.113(13) 0.114(13) 0.001(4) 0.050(7) -0.001(4) C153 0.113(13) 0.113(13) 0.114(13) 0.001(4) 0.050(7) -0.001(4) C154 0.114(13) 0.113(13) 0.114(13) 0.001(4) 0.050(7) -0.001(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 Pt6 2.578(2) . ? Pt1 Pt7 2.5865(17) . ? Pt1 Pt4 2.7085(17) 7_557 ? Pt1 Pt5 2.7109(19) . ? Pt1 Pt5 2.7132(17) 7_557 ? Pt1 Pt4 2.714(2) . ? Pt1 Pt3 2.7959(19) . ? Pt1 Pt2 2.7996(17) . ? Pt1 Pt10 2.8011(16) . ? Pt1 Pt8 2.8239(18) . ? Pt1 Cd5 3.126(3) . ? Pt1 Cd3 3.133(3) . ? Pt2 C7 1.93(4) . ? Pt2 Cd6 2.800(3) . ? Pt2 Pt4 2.8066(19) 7_557 ? Pt2 Cd5 2.816(2) . ? Pt2 Pt5 2.828(2) 7_557 ? Pt2 Cd2 2.838(3) . ? Pt2 Pt9 2.8641(19) . ? Pt2 Pt11 2.8739(17) . ? Pt2 Pt6 2.8937(17) . ? Pt3 C3 1.80(5) . ? Pt3 Pt5 2.803(2) . ? Pt3 Pt4 2.8289(17) 7_557 ? Pt3 Cd1 2.832(3) . ? Pt3 Cd3 2.835(3) . ? Pt3 Cd6 2.841(3) . ? Pt3 Pt12 2.8602(17) . ? Pt3 Pt6 2.8620(19) . ? Pt3 Pt13 2.8651(17) . ? Pt4 Pt11 2.5789(16) 7_557 ? Pt4 Pt12 2.5806(18) 7_557 ? Pt4 Pt5 2.7062(16) 7_557 ? Pt4 Pt1 2.7085(17) 7_557 ? Pt4 Pt5 2.7148(18) . ? Pt4 Pt10 2.7812(17) . ? Pt4 Pt2 2.8066(19) 7_557 ? Pt4 Pt8 2.8217(19) . ? Pt4 Pt3 2.8289(18) 7_557 ? Pt4 Cd4 3.112(2) . ? Pt4 Cd6 3.154(3) 7_557 ? Pt5 Pt13 2.5749(17) . ? Pt5 Pt9 2.5775(19) 7_557 ? Pt5 Pt4 2.7062(16) 7_557 ? Pt5 Pt1 2.7132(17) 7_557 ? Pt5 Pt8 2.7766(17) 7_557 ? Pt5 Pt2 2.828(2) 7_557 ? Pt5 Pt10 2.8288(17) . ? Pt5 Cd1 3.104(3) . ? Pt5 Cd2 3.147(3) 7_557 ? Pt6 C5 1.72(5) . ? Pt6 Cd3 2.779(3) . ? Pt6 Cd5 2.800(3) . ? Pt6 Cd6 2.945(3) . ? Pt6 Pt7 3.0256(18) . ? Pt7 C10 1.83(3) . ? Pt7 Cd5 2.802(2) . ? Pt7 Cd3 2.825(3) . ? Pt7 Pt10 2.8563(19) . ? Pt7 Pt8 2.8713(18) . ? Pt7 Cd4 2.938(3) . ? Pt8 C9 1.79(4) . ? Pt8 Pt5 2.7766(17) 7_557 ? Pt8 Cd1 2.795(3) 7_557 ? Pt8 Cd5 2.839(3) . ? Pt8 Cd4 2.843(2) . ? Pt8 Pt9 2.8852(16) . ? Pt8 Pt12 2.900(2) 7_557 ? Pt9 C8 1.84(3) . ? Pt9 Pt5 2.5775(19) 7_557 ? Pt9 Cd2 2.811(3) . ? Pt9 Cd1 2.829(3) 7_557 ? Pt9 Cd5 2.989(3) . ? Pt9 Pt13 3.015(2) 7_557 ? Pt10 C1 1.85(3) . ? Pt10 Cd2 2.806(3) 7_557 ? Pt10 Cd4 2.818(3) . ? Pt10 Cd3 2.839(3) . ? Pt10 Pt13 2.8786(19) . ? Pt10 Pt11 2.888(2) 7_557 ? Pt11 C6 1.84(3) . ? Pt11 Pt4 2.5789(17) 7_557 ? Pt11 Cd6 2.809(3) . ? Pt11 Cd4 2.816(3) 7_557 ? Pt11 Pt10 2.888(2) 7_557 ? Pt11 Cd2 2.906(3) . ? Pt11 Pt12 3.0105(19) . ? Pt12 C4 1.79(4) . ? Pt12 Pt4 2.5806(18) 7_557 ? Pt12 Cd4 2.807(3) 7_557 ? Pt12 Cd6 2.823(3) . ? Pt12 Pt8 2.900(2) 7_557 ? Pt12 Cd1 2.946(3) . ? Pt13 C2 1.86(4) . ? Pt13 Cd1 2.817(2) . ? Pt13 Cd2 2.830(3) 7_557 ? Pt13 Cd3 2.950(3) . ? Pt13 Pt9 3.015(2) 7_557 ? Cd1 Br1 2.583(4) . ? Cd1 Pt8 2.795(3) 7_557 ? Cd1 Pt9 2.829(3) 7_557 ? Cd2 Br2 2.570(4) . ? Cd2 Pt10 2.806(3) 7_557 ? Cd2 Pt13 2.830(3) 7_557 ? Cd2 Pt5 3.147(2) 7_557 ? Cd3 Br3 2.547(4) . ? Cd4 Br4 2.562(4) . ? Cd4 Pt12 2.807(3) 7_557 ? Cd4 Pt11 2.816(3) 7_557 ? Cd5 Br5 2.574(5) . ? Cd6 Br6 2.568(5) . ? Cd6 Pt4 3.154(3) 7_557 ? C1 O1 1.14(4) . ? C2 O2 1.18(4) . ? C3 O3 1.16(5) . ? C4 O4 1.18(5) . ? C5 O5 1.31(5) . ? C6 O6 1.20(4) . ? C7 O7 1.08(4) . ? C8 O8 1.17(4) . ? C9 O9 1.18(4) . ? C10 O10 1.18(4) . ? P1 C21 1.793(16) . ? P1 C21 1.793(16) 2_756 ? P1 C27 1.796(15) 2_756 ? P1 C27 1.796(15) . ? C21 C22 1.3900 . ? C21 C26 1.3900 . ? C22 C23 1.3900 . ? C22 H22 0.9500 . ? C23 C24 1.3900 . ? C23 H23 0.9500 . ? C24 C25 1.3900 . ? C24 H24 0.9500 . ? C25 C26 1.3900 . ? C25 H25 0.9500 . ? C26 H26 0.9500 . ? C27 C28 1.3900 . ? C27 C32 1.3900 . ? C28 C29 1.3900 . ? C28 H28 0.9500 . ? C29 C30 1.3900 . ? C29 H29 0.9500 . ? C30 C31 1.3900 . ? C30 H30 0.9500 . ? C31 C32 1.3900 . ? C31 H31 0.9500 . ? C32 H32 0.9500 . ? P2 C47 1.782(10) . ? P2 C53 1.789(11) . ? P2 C59' 1.789(17) . ? P2 C41 1.796(10) . ? P2 C59 1.798(12) . ? C41 C42 1.3900 . ? C41 C46 1.3900 . ? C42 C43 1.3900 . ? C42 H42 0.9500 . ? C43 C44 1.3900 . ? C43 H43 0.9500 . ? C44 C45 1.3900 . ? C44 H44 0.9500 . ? C45 C46 1.3900 . ? C45 H45 0.9500 . ? C46 H46 0.9500 . ? C47 C48 1.3900 . ? C47 C52 1.3900 . ? C48 C49 1.3900 . ? C48 H48 0.9500 . ? C49 C50 1.3900 . ? C49 H49 0.9500 . ? C50 C51 1.3900 . ? C50 H50 0.9500 . ? C51 C52 1.3900 . ? C51 H51 0.9500 . ? C52 H52 0.9500 . ? C53 C54 1.3900 . ? C53 C58 1.3900 . ? C54 C55 1.3900 . ? C54 H54 0.9500 . ? C55 C56 1.3900 . ? C55 H55 0.9500 . ? C56 C57 1.3900 . ? C56 H56 0.9500 . ? C57 C58 1.3900 . ? C57 H57 0.9500 . ? C58 H58 0.9500 . ? C59 C60 1.3900 . ? C59 C64 1.3900 . ? C60 C61 1.3900 . ? C60 H60 0.9500 . ? C61 C62 1.3900 . ? C61 H61 0.9500 . ? C62 C63 1.3900 . ? C62 H62 0.9500 . ? C63 C64 1.3900 . ? C63 H63 0.9500 . ? C64 H64 0.9500 . ? C59' C60' 1.3900 . ? C59' C64' 1.3900 . ? C60' C61' 1.3900 . ? C60' H60' 0.9500 . ? C61' C62' 1.3900 . ? C61' H61' 0.9500 . ? C62' C63' 1.3900 . ? C62' H62' 0.9500 . ? C63' C64' 1.3900 . ? C63' H63' 0.9500 . ? C64' H64' 0.9500 . ? P3 C77 1.785(11) . ? P3 C89 1.791(10) . ? P3 C71 1.794(11) . ? P3 C83 1.807(10) . ? C71 C72 1.3900 . ? C71 C76 1.3900 . ? C72 C73 1.3900 . ? C72 H72 0.9500 . ? C73 C74 1.3900 . ? C73 H73 0.9500 . ? C74 C75 1.3900 . ? C74 H74 0.9500 . ? C75 C76 1.3900 . ? C75 H75 0.9500 . ? C76 H76 0.9500 . ? C77 C78 1.3900 . ? C77 C82 1.3900 . ? C78 C79 1.3900 . ? C78 H78 0.9500 . ? C79 C80 1.3900 . ? C79 H79 0.9500 . ? C80 C81 1.3900 . ? C80 H80 0.9500 . ? C81 C82 1.3900 . ? C81 H81 0.9500 . ? C82 H82 0.9500 . ? C83 C84 1.3900 . ? C83 C88 1.3900 . ? C84 C85 1.3900 . ? C84 H84 0.9500 . ? C85 C86 1.3900 . ? C85 H85 0.9500 . ? C86 C87 1.3900 . ? C86 H86 0.9500 . ? C87 C88 1.3900 . ? C87 H87 0.9500 . ? C88 H88 0.9500 . ? C89 C90 1.3900 . ? C89 C94 1.3900 . ? C90 C91 1.3900 . ? C90 H90 0.9500 . ? C91 C92 1.3900 . ? C91 H91 0.9500 . ? C92 C93 1.3900 . ? C92 H92 0.9500 . ? C93 C94 1.3900 . ? C93 H93 0.9500 . ? C94 H94 0.9500 . ? P4 C101 1.786(10) . ? P4 C119 1.787(10) . ? P4 C107 1.800(11) . ? P4 C113 1.810(10) . ? C101 C102 1.3900 . ? C101 C106 1.3900 . ? C102 C103 1.3900 . ? C102 H102 0.9500 . ? C103 C104 1.3900 . ? C103 H103 0.9500 . ? C104 C105 1.3900 . ? C104 H104 0.9500 . ? C105 C106 1.3900 . ? C105 H105 0.9500 . ? C106 H106 0.9500 . ? C107 C108 1.3900 . ? C107 C112 1.3900 . ? C108 C109 1.3900 . ? C108 H108 0.9500 . ? C109 C110 1.3900 . ? C109 H109 0.9500 . ? C110 C111 1.3900 . ? C110 H110 0.9500 . ? C111 C112 1.3900 . ? C111 H111 0.9500 . ? C112 H112 0.9500 . ? C113 C114 1.3900 . ? C113 C118 1.3900 . ? C114 C115 1.3900 . ? C114 H114 0.9500 . ? C115 C116 1.3900 . ? C115 H115 0.9500 . ? C116 C117 1.3900 . ? C116 H116 0.9500 . ? C117 C118 1.3900 . ? C117 H117 0.9500 . ? C118 H118 0.9500 . ? C119 C120 1.3900 . ? C119 C124 1.3900 . ? C120 C121 1.3900 . ? C120 H120 0.9500 . ? C121 C122 1.3900 . ? C121 H121 0.9500 . ? C122 C123 1.3900 . ? C122 H122 0.9500 . ? C123 C124 1.3900 . ? C123 H123 0.9500 . ? C124 H124 0.9500 . ? P5 C137 1.786(12) . ? P5 C149 1.792(12) . ? P5 C131 1.792(11) . ? P5 C143 1.807(14) . ? C131 C132 1.3900 . ? C131 C136 1.3900 . ? C132 C133 1.3900 . ? C132 H132 0.9500 . ? C133 C134 1.3900 . ? C133 H133 0.9500 . ? C134 C135 1.3900 . ? C134 H134 0.9500 . ? C135 C136 1.3900 . ? C135 H135 0.9500 . ? C136 H136 0.9500 . ? C137 C138 1.3900 . ? C137 C142 1.3900 . ? C138 C139 1.3900 . ? C138 H138 0.9500 . ? C139 C140 1.3900 . ? C139 H139 0.9500 . ? C140 C141 1.3900 . ? C140 H140 0.9500 . ? C141 C142 1.3900 . ? C141 H141 0.9500 . ? C142 H142 0.9500 . ? C143 C144 1.3900 . ? C143 C148 1.3900 . ? C144 C145 1.3900 . ? C144 H144 0.9500 . ? C145 C146 1.3900 . ? C145 H145 0.9500 . ? C146 C147 1.3900 . ? C146 H146 0.9500 . ? C147 C148 1.3900 . ? C147 H147 0.9500 . ? C148 H148 0.9500 . ? C149 C150 1.3900 . ? C149 C154 1.3900 . ? C150 C151 1.3900 . ? C150 H150 0.9500 . ? C151 C152 1.3900 . ? C151 H151 0.9500 . ? C152 C153 1.3900 . ? C152 H152 0.9500 . ? C153 C154 1.3900 . ? C153 H153 0.9500 . ? C154 H154 0.9500 . ? C301 C302 1.471(9) . ? C301 H30A 0.9800 . ? C301 H30B 0.9800 . ? C301 H30C 0.9800 . ? C302 N303 1.162(9) . ? C201 C202 1.463(18) . ? C201 H20A 0.9800 . ? C201 H20B 0.9800 . ? C201 H20C 0.9800 . ? C202 N203 1.156(17) . ? C401 C402 1.470(9) . ? C401 H40A 0.9800 . ? C401 H40B 0.9800 . ? C401 H40C 0.9800 . ? C402 N403 1.160(9) . ? 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 Pt6 Pt1 Pt7 71.72(5) . . ? Pt6 Pt1 Pt4 100.13(6) . 7_557 ? Pt7 Pt1 Pt4 171.80(7) . 7_557 ? Pt6 Pt1 Pt5 124.85(6) . . ? Pt7 Pt1 Pt5 125.19(5) . . ? Pt4 Pt1 Pt5 59.91(4) 7_557 . ? Pt6 Pt1 Pt5 126.11(6) . 7_557 ? Pt7 Pt1 Pt5 123.73(6) . 7_557 ? Pt4 Pt1 Pt5 60.10(5) 7_557 7_557 ? Pt5 Pt1 Pt5 89.98(5) . 7_557 ? Pt6 Pt1 Pt4 169.92(6) . . ? Pt7 Pt1 Pt4 98.23(5) . . ? Pt4 Pt1 Pt4 89.93(5) 7_557 . ? Pt5 Pt1 Pt4 60.06(5) . . ? Pt5 Pt1 Pt4 59.82(5) 7_557 . ? Pt6 Pt1 Pt3 64.21(5) . . ? Pt7 Pt1 Pt3 113.77(6) . . ? Pt4 Pt1 Pt3 61.83(4) 7_557 . ? Pt5 Pt1 Pt3 61.17(5) . . ? Pt5 Pt1 Pt3 121.92(5) 7_557 . ? Pt4 Pt1 Pt3 121.21(6) . . ? Pt6 Pt1 Pt2 64.95(5) . . ? Pt7 Pt1 Pt2 113.11(6) . . ? Pt4 Pt1 Pt2 61.24(5) 7_557 . ? Pt5 Pt1 Pt2 121.14(5) . . ? Pt5 Pt1 Pt2 61.71(5) 7_557 . ? Pt4 Pt1 Pt2 121.53(6) . . ? Pt3 Pt1 Pt2 90.14(5) . . ? Pt6 Pt1 Pt10 112.64(6) . . ? Pt7 Pt1 Pt10 63.89(5) . . ? Pt4 Pt1 Pt10 121.64(6) 7_557 . ? Pt5 Pt1 Pt10 61.73(4) . . ? Pt5 Pt1 Pt10 120.35(6) 7_557 . ? Pt4 Pt1 Pt10 60.55(4) . . ? Pt3 Pt1 Pt10 90.46(5) . . ? Pt2 Pt1 Pt10 176.89(7) . . ? Pt6 Pt1 Pt8 113.16(6) . . ? Pt7 Pt1 Pt8 63.93(5) . . ? Pt4 Pt1 Pt8 120.23(5) 7_557 . ? Pt5 Pt1 Pt8 121.29(6) . . ? Pt5 Pt1 Pt8 60.15(4) 7_557 . ? Pt4 Pt1 Pt8 61.23(5) . . ? Pt3 Pt1 Pt8 177.21(7) . . ? Pt2 Pt1 Pt8 89.44(5) . . ? Pt10 Pt1 Pt8 89.81(5) . . ? Pt6 Pt1 Cd5 57.84(6) . . ? Pt7 Pt1 Cd5 57.81(5) . . ? Pt4 Pt1 Cd5 117.46(6) 7_557 . ? Pt5 Pt1 Cd5 175.98(7) . . ? Pt5 Pt1 Cd5 86.02(6) 7_557 . ? Pt4 Pt1 Cd5 117.83(7) . . ? Pt3 Pt1 Cd5 120.92(7) . . ? Pt2 Pt1 Cd5 56.42(5) . . ? Pt10 Pt1 Cd5 120.80(6) . . ? Pt8 Pt1 Cd5 56.71(6) . . ? Pt6 Pt1 Cd3 57.24(6) . . ? Pt7 Pt1 Cd3 58.25(6) . . ? Pt4 Pt1 Cd3 118.44(7) 7_557 . ? Pt5 Pt1 Cd3 86.26(6) . . ? Pt5 Pt1 Cd3 176.12(8) 7_557 . ? Pt4 Pt1 Cd3 117.20(6) . . ? Pt3 Pt1 Cd3 56.80(5) . . ? Pt2 Pt1 Cd3 121.23(7) . . ? Pt10 Pt1 Cd3 56.83(6) . . ? Pt8 Pt1 Cd3 121.27(6) . . ? Cd5 Pt1 Cd3 97.74(7) . . ? C7 Pt2 Pt1 148.7(10) . . ? C7 Pt2 Cd6 91.1(11) . . ? Pt1 Pt2 Cd6 90.33(6) . . ? C7 Pt2 Pt4 149.3(11) . 7_557 ? Pt1 Pt2 Pt4 57.78(4) . 7_557 ? Cd6 Pt2 Pt4 68.47(7) . 7_557 ? C7 Pt2 Cd5 84.4(11) . . ? Pt1 Pt2 Cd5 67.66(6) . . ? Cd6 Pt2 Cd5 118.80(8) . . ? Pt4 Pt2 Cd5 125.20(7) 7_557 . ? C7 Pt2 Pt5 139.5(11) . 7_557 ? Pt1 Pt2 Pt5 57.64(4) . 7_557 ? Cd6 Pt2 Pt5 125.80(8) . 7_557 ? Pt4 Pt2 Pt5 57.60(5) 7_557 7_557 ? Cd5 Pt2 Pt5 90.10(7) . 7_557 ? C7 Pt2 Cd2 81.2(10) . . ? Pt1 Pt2 Cd2 124.74(8) . . ? Cd6 Pt2 Cd2 118.58(8) . . ? Pt4 Pt2 Cd2 88.61(7) 7_557 . ? Cd5 Pt2 Cd2 120.81(8) . . ? Pt5 Pt2 Cd2 67.49(6) 7_557 . ? C7 Pt2 Pt9 88.5(11) . . ? Pt1 Pt2 Pt9 91.16(5) . . ? Cd6 Pt2 Pt9 177.65(7) . . ? Pt4 Pt2 Pt9 110.89(6) 7_557 . ? Cd5 Pt2 Pt9 63.48(6) . . ? Pt5 Pt2 Pt9 53.84(4) 7_557 . ? Cd2 Pt2 Pt9 59.07(6) . . ? C7 Pt2 Pt11 96.1(11) . . ? Pt1 Pt2 Pt11 111.33(6) . . ? Cd6 Pt2 Pt11 59.32(6) . . ? Pt4 Pt2 Pt11 53.98(4) 7_557 . ? Cd5 Pt2 Pt11 178.02(7) . . ? Pt5 Pt2 Pt11 90.71(5) 7_557 . ? Cd2 Pt2 Pt11 61.17(6) . . ? Pt9 Pt2 Pt11 118.41(5) . . ? C7 Pt2 Pt6 100.1(10) . . ? Pt1 Pt2 Pt6 53.82(4) . . ? Cd6 Pt2 Pt6 62.26(6) . . ? Pt4 Pt2 Pt6 90.67(5) 7_557 . ? Cd5 Pt2 Pt6 58.72(6) . . ? Pt5 Pt2 Pt6 111.05(5) 7_557 . ? Cd2 Pt2 Pt6 178.53(8) . . ? Pt9 Pt2 Pt6 120.08(5) . . ? Pt11 Pt2 Pt6 119.30(6) . . ? C3 Pt3 Pt1 147.8(14) . . ? C3 Pt3 Pt5 147.4(13) . . ? Pt1 Pt3 Pt5 57.92(5) . . ? C3 Pt3 Pt4 143.1(13) . 7_557 ? Pt1 Pt3 Pt4 57.57(4) . 7_557 ? Pt5 Pt3 Pt4 57.43(4) . 7_557 ? C3 Pt3 Cd1 85.5(14) . . ? Pt1 Pt3 Cd1 124.53(8) . . ? Pt5 Pt3 Cd1 66.84(7) . . ? Pt4 Pt3 Cd1 89.59(7) 7_557 . ? C3 Pt3 Cd3 88.5(13) . . ? Pt1 Pt3 Cd3 67.61(6) . . ? Pt5 Pt3 Cd3 90.58(7) . . ? Pt4 Pt3 Cd3 124.97(7) 7_557 . ? Cd1 Pt3 Cd3 119.73(8) . . ? C3 Pt3 Cd6 83.4(13) . . ? Pt1 Pt3 Cd6 89.56(6) . . ? Pt5 Pt3 Cd6 124.79(7) . . ? Pt4 Pt3 Cd6 67.60(6) 7_557 . ? Cd1 Pt3 Cd6 119.92(8) . . ? Cd3 Pt3 Cd6 118.74(9) . . ? C3 Pt3 Pt12 92.1(13) . . ? Pt1 Pt3 Pt12 111.12(5) . . ? Pt5 Pt3 Pt12 90.05(5) . . ? Pt4 Pt3 Pt12 53.95(4) 7_557 . ? Cd1 Pt3 Pt12 62.33(6) . . ? Cd3 Pt3 Pt12 177.91(8) . . ? Cd6 Pt3 Pt12 59.35(6) . . ? C3 Pt3 Pt6 95.4(14) . . ? Pt1 Pt3 Pt6 54.20(5) . . ? Pt5 Pt3 Pt6 111.71(6) . . ? Pt4 Pt3 Pt6 90.87(5) 7_557 . ? Cd1 Pt3 Pt6 177.85(7) . . ? Cd3 Pt3 Pt6 58.39(6) . . ? Cd6 Pt3 Pt6 62.17(6) . . ? Pt12 Pt3 Pt6 119.54(5) . . ? C3 Pt3 Pt13 97.5(13) . . ? Pt1 Pt3 Pt13 90.16(5) . . ? Pt5 Pt3 Pt13 54.02(4) . . ? Pt4 Pt3 Pt13 111.16(6) 7_557 . ? Cd1 Pt3 Pt13 59.27(6) . . ? Cd3 Pt3 Pt13 62.32(6) . . ? Cd6 Pt3 Pt13 178.65(8) . . ? Pt12 Pt3 Pt13 119.58(6) . . ? Pt6 Pt3 Pt13 118.63(5) . . ? Pt11 Pt4 Pt12 71.39(5) 7_557 7_557 ? Pt11 Pt4 Pt5 169.90(7) 7_557 7_557 ? Pt12 Pt4 Pt5 98.52(6) 7_557 7_557 ? Pt11 Pt4 Pt1 124.76(7) 7_557 7_557 ? Pt12 Pt4 Pt1 123.74(6) 7_557 7_557 ? Pt5 Pt4 Pt1 60.09(5) 7_557 7_557 ? Pt11 Pt4 Pt1 125.95(6) 7_557 . ? Pt12 Pt4 Pt1 125.62(6) 7_557 . ? Pt5 Pt4 Pt1 60.08(5) 7_557 . ? Pt1 Pt4 Pt1 90.07(5) 7_557 . ? Pt11 Pt4 Pt5 100.04(5) 7_557 . ? Pt12 Pt4 Pt5 171.38(6) 7_557 . ? Pt5 Pt4 Pt5 90.04(5) 7_557 . ? Pt1 Pt4 Pt5 60.04(4) 7_557 . ? Pt1 Pt4 Pt5 59.92(5) . . ? Pt11 Pt4 Pt10 65.08(5) 7_557 . ? Pt12 Pt4 Pt10 113.60(5) 7_557 . ? Pt5 Pt4 Pt10 121.34(6) 7_557 . ? Pt1 Pt4 Pt10 121.97(6) 7_557 . ? Pt1 Pt4 Pt10 61.28(4) . . ? Pt5 Pt4 Pt10 61.94(4) . . ? Pt11 Pt4 Pt2 64.34(5) 7_557 7_557 ? Pt12 Pt4 Pt2 112.38(6) 7_557 7_557 ? Pt5 Pt4 Pt2 121.05(5) 7_557 7_557 ? Pt1 Pt4 Pt2 60.98(4) 7_557 7_557 ? Pt1 Pt4 Pt2 121.52(6) . 7_557 ? Pt5 Pt4 Pt2 61.60(5) . 7_557 ? Pt10 Pt4 Pt2 90.96(5) . 7_557 ? Pt11 Pt4 Pt8 113.95(6) 7_557 . ? Pt12 Pt4 Pt8 64.76(5) 7_557 . ? Pt5 Pt4 Pt8 60.26(4) 7_557 . ? Pt1 Pt4 Pt8 120.33(5) 7_557 . ? Pt1 Pt4 Pt8 61.31(5) . . ? Pt5 Pt4 Pt8 121.23(6) . . ? Pt10 Pt4 Pt8 90.26(5) . . ? Pt2 Pt4 Pt8 177.14(6) 7_557 . ? Pt11 Pt4 Pt3 112.51(6) 7_557 7_557 ? Pt12 Pt4 Pt3 63.64(5) 7_557 7_557 ? Pt5 Pt4 Pt3 60.80(5) 7_557 7_557 ? Pt1 Pt4 Pt3 60.60(5) 7_557 7_557 ? Pt1 Pt4 Pt3 120.88(5) . 7_557 ? Pt5 Pt4 Pt3 120.64(5) . 7_557 ? Pt10 Pt4 Pt3 177.08(6) . 7_557 ? Pt2 Pt4 Pt3 89.32(5) 7_557 7_557 ? Pt8 Pt4 Pt3 89.32(5) . 7_557 ? Pt11 Pt4 Cd4 58.43(6) 7_557 . ? Pt12 Pt4 Cd4 58.19(6) 7_557 . ? Pt5 Pt4 Cd4 117.12(7) 7_557 . ? Pt1 Pt4 Cd4 176.33(8) 7_557 . ? Pt1 Pt4 Cd4 86.37(6) . . ? Pt5 Pt4 Cd4 118.56(7) . . ? Pt10 Pt4 Cd4 56.80(6) . . ? Pt2 Pt4 Cd4 121.82(6) 7_557 . ? Pt8 Pt4 Cd4 56.99(5) . . ? Pt3 Pt4 Cd4 120.73(7) 7_557 . ? Pt11 Pt4 Cd6 57.62(6) 7_557 7_557 ? Pt12 Pt4 Cd6 57.94(6) 7_557 7_557 ? Pt5 Pt4 Cd6 116.99(6) 7_557 7_557 ? Pt1 Pt4 Cd6 84.91(6) 7_557 7_557 ? Pt1 Pt4 Cd6 174.97(7) . 7_557 ? Pt5 Pt4 Cd6 117.05(7) . 7_557 ? Pt10 Pt4 Cd6 121.62(6) . 7_557 ? Pt2 Pt4 Cd6 55.67(6) 7_557 7_557 ? Pt8 Pt4 Cd6 121.55(7) . 7_557 ? Pt3 Pt4 Cd6 56.39(5) 7_557 7_557 ? Cd4 Pt4 Cd6 98.66(7) . 7_557 ? Pt13 Pt5 Pt9 71.62(5) . 7_557 ? Pt13 Pt5 Pt4 125.59(7) . 7_557 ? Pt9 Pt5 Pt4 126.66(6) 7_557 7_557 ? Pt13 Pt5 Pt1 98.61(6) . . ? Pt9 Pt5 Pt1 170.12(6) 7_557 . ? Pt4 Pt5 Pt1 60.00(4) 7_557 . ? Pt13 Pt5 Pt1 171.29(7) . 7_557 ? Pt9 Pt5 Pt1 99.72(6) 7_557 7_557 ? Pt4 Pt5 Pt1 60.09(5) 7_557 7_557 ? Pt1 Pt5 Pt1 90.02(5) . 7_557 ? Pt13 Pt5 Pt4 123.87(6) . . ? Pt9 Pt5 Pt4 123.87(7) 7_557 . ? Pt4 Pt5 Pt4 89.96(5) 7_557 . ? Pt1 Pt5 Pt4 60.02(5) . . ? Pt1 Pt5 Pt4 59.87(4) 7_557 . ? Pt13 Pt5 Pt8 113.59(6) . 7_557 ? Pt9 Pt5 Pt8 65.09(5) 7_557 7_557 ? Pt4 Pt5 Pt8 61.93(5) 7_557 7_557 ? Pt1 Pt5 Pt8 121.92(5) . 7_557 ? Pt1 Pt5 Pt8 61.90(5) 7_557 7_557 ? Pt4 Pt5 Pt8 121.75(6) . 7_557 ? Pt13 Pt5 Pt3 64.22(5) . . ? Pt9 Pt5 Pt3 114.17(6) 7_557 . ? Pt4 Pt5 Pt3 61.76(5) 7_557 . ? Pt1 Pt5 Pt3 60.91(5) . . ? Pt1 Pt5 Pt3 121.86(5) 7_557 . ? Pt4 Pt5 Pt3 120.90(6) . . ? Pt8 Pt5 Pt3 90.77(5) 7_557 . ? Pt13 Pt5 Pt2 113.19(6) . 7_557 ? Pt9 Pt5 Pt2 63.79(5) 7_557 7_557 ? Pt4 Pt5 Pt2 120.74(6) 7_557 7_557 ? Pt1 Pt5 Pt2 120.81(6) . 7_557 ? Pt1 Pt5 Pt2 60.65(4) 7_557 7_557 ? Pt4 Pt5 Pt2 60.80(5) . 7_557 ? Pt8 Pt5 Pt2 89.81(5) 7_557 7_557 ? Pt3 Pt5 Pt2 177.33(6) . 7_557 ? Pt13 Pt5 Pt10 64.18(5) . . ? Pt9 Pt5 Pt10 112.16(5) 7_557 . ? Pt4 Pt5 Pt10 120.70(6) 7_557 . ? Pt1 Pt5 Pt10 60.70(4) . . ? Pt1 Pt5 Pt10 120.04(6) 7_557 . ? Pt4 Pt5 Pt10 60.18(4) . . ? Pt8 Pt5 Pt10 177.14(6) 7_557 . ? Pt3 Pt5 Pt10 89.75(5) . . ? Pt2 Pt5 Pt10 89.55(5) 7_557 . ? Pt13 Pt5 Cd1 58.60(6) . . ? Pt9 Pt5 Cd1 58.87(6) 7_557 . ? Pt4 Pt5 Cd1 86.42(6) 7_557 . ? Pt1 Pt5 Cd1 117.73(7) . . ? Pt1 Pt5 Cd1 118.12(6) 7_557 . ? Pt4 Pt5 Cd1 176.37(6) . . ? Pt8 Pt5 Cd1 56.42(5) 7_557 . ? Pt3 Pt5 Cd1 57.02(6) . . ? Pt2 Pt5 Cd1 121.41(7) 7_557 . ? Pt10 Pt5 Cd1 121.78(6) . . ? Pt13 Pt5 Cd2 58.26(6) . 7_557 ? Pt9 Pt5 Cd2 57.79(6) 7_557 7_557 ? Pt4 Pt5 Cd2 174.12(7) 7_557 7_557 ? Pt1 Pt5 Cd2 116.20(6) . 7_557 ? Pt1 Pt5 Cd2 116.71(7) 7_557 7_557 ? Pt4 Pt5 Cd2 84.18(6) . 7_557 ? Pt8 Pt5 Cd2 121.78(7) 7_557 7_557 ? Pt3 Pt5 Cd2 121.21(7) . 7_557 ? Pt2 Pt5 Cd2 56.40(6) 7_557 7_557 ? Pt10 Pt5 Cd2 55.69(6) . 7_557 ? Cd1 Pt5 Cd2 99.45(7) . 7_557 ? C5 Pt6 Pt1 170.3(13) . . ? C5 Pt6 Cd3 98.9(13) . . ? Pt1 Pt6 Cd3 71.48(7) . . ? C5 Pt6 Cd5 113.8(15) . . ? Pt1 Pt6 Cd5 70.94(7) . . ? Cd3 Pt6 Cd5 115.37(8) . . ? C5 Pt6 Pt3 114.9(15) . . ? Pt1 Pt6 Pt3 61.59(5) . . ? Cd3 Pt6 Pt3 60.33(6) . . ? Cd5 Pt6 Pt3 131.12(8) . . ? C5 Pt6 Pt2 128.4(13) . . ? Pt1 Pt6 Pt2 61.22(5) . . ? Cd3 Pt6 Pt2 131.49(8) . . ? Cd5 Pt6 Pt2 59.26(6) . . ? Pt3 Pt6 Pt2 86.98(5) . . ? C5 Pt6 Cd6 93.7(14) . . ? Pt1 Pt6 Cd6 91.70(7) . . ? Cd3 Pt6 Cd6 117.15(8) . . ? Cd5 Pt6 Cd6 114.56(7) . . ? Pt3 Pt6 Cd6 58.58(6) . . ? Pt2 Pt6 Cd6 57.31(6) . . ? C5 Pt6 Pt7 120.2(14) . . ? Pt1 Pt6 Pt7 54.27(4) . . ? Cd3 Pt6 Pt7 58.05(6) . . ? Cd5 Pt6 Pt7 57.33(6) . . ? Pt3 Pt6 Pt7 99.95(6) . . ? Pt2 Pt6 Pt7 98.82(5) . . ? Cd6 Pt6 Pt7 145.93(8) . . ? C10 Pt7 Pt1 175.8(10) . . ? C10 Pt7 Cd5 105.0(10) . . ? Pt1 Pt7 Cd5 70.80(6) . . ? C10 Pt7 Cd3 111.2(10) . . ? Pt1 Pt7 Cd3 70.61(6) . . ? Cd5 Pt7 Cd3 113.87(8) . . ? C10 Pt7 Pt10 122.5(10) . . ? Pt1 Pt7 Pt10 61.71(4) . . ? Cd5 Pt7 Pt10 131.38(7) . . ? Cd3 Pt7 Pt10 59.96(7) . . ? C10 Pt7 Pt8 116.7(10) . . ? Pt1 Pt7 Pt8 62.06(5) . . ? Cd5 Pt7 Pt8 60.04(6) . . ? Cd3 Pt7 Pt8 131.53(7) . . ? Pt10 Pt7 Pt8 87.79(5) . . ? C10 Pt7 Cd4 90.0(10) . . ? Pt1 Pt7 Cd4 92.49(7) . . ? Cd5 Pt7 Cd4 116.92(8) . . ? Cd3 Pt7 Cd4 116.33(8) . . ? Pt10 Pt7 Cd4 58.19(6) . . ? Pt8 Pt7 Cd4 58.58(6) . . ? C10 Pt7 Pt6 123.4(10) . . ? Pt1 Pt7 Pt6 54.01(5) . . ? Cd5 Pt7 Pt6 57.29(6) . . ? Cd3 Pt7 Pt6 56.60(6) . . ? Pt10 Pt7 Pt6 99.13(5) . . ? Pt8 Pt7 Pt6 99.78(5) . . ? Cd4 Pt7 Pt6 146.49(7) . . ? C9 Pt8 Pt5 151.3(11) . 7_557 ? C9 Pt8 Cd1 93.2(12) . 7_557 ? Pt5 Pt8 Cd1 67.71(6) 7_557 7_557 ? C9 Pt8 Pt4 147.2(12) . . ? Pt5 Pt8 Pt4 57.81(4) 7_557 . ? Cd1 Pt8 Pt4 90.49(7) 7_557 . ? C9 Pt8 Pt1 138.4(12) . . ? Pt5 Pt8 Pt1 57.95(4) 7_557 . ? Cd1 Pt8 Pt1 125.43(7) 7_557 . ? Pt4 Pt8 Pt1 57.46(5) . . ? C9 Pt8 Cd5 80.8(13) . . ? Pt5 Pt8 Cd5 90.70(6) 7_557 . ? Cd1 Pt8 Cd5 120.70(8) 7_557 . ? Pt4 Pt8 Cd5 124.35(7) . . ? Pt1 Pt8 Cd5 67.02(6) . . ? C9 Pt8 Cd4 83.2(11) . . ? Pt5 Pt8 Cd4 124.31(7) 7_557 . ? Cd1 Pt8 Cd4 118.76(8) 7_557 . ? Pt4 Pt8 Cd4 66.66(6) . . ? Pt1 Pt8 Cd4 89.73(6) . . ? Cd5 Pt8 Cd4 118.88(8) . . ? C9 Pt8 Pt7 87.2(12) . . ? Pt5 Pt8 Pt7 111.69(6) 7_557 . ? Cd1 Pt8 Pt7 179.27(7) 7_557 . ? Pt4 Pt8 Pt7 89.49(5) . . ? Pt1 Pt8 Pt7 54.02(4) . . ? Cd5 Pt8 Pt7 58.77(6) . . ? Cd4 Pt8 Pt7 61.88(6) . . ? C9 Pt8 Pt9 98.2(11) . . ? Pt5 Pt8 Pt9 54.12(4) 7_557 . ? Cd1 Pt8 Pt9 59.73(6) 7_557 . ? Pt4 Pt8 Pt9 111.66(5) . . ? Pt1 Pt8 Pt9 90.23(5) . . ? Cd5 Pt8 Pt9 62.94(6) . . ? Cd4 Pt8 Pt9 177.95(8) . . ? Pt7 Pt8 Pt9 119.62(6) . . ? C9 Pt8 Pt12 100.2(12) . 7_557 ? Pt5 Pt8 Pt12 89.76(5) 7_557 7_557 ? Cd1 Pt8 Pt12 62.27(6) 7_557 7_557 ? Pt4 Pt8 Pt12 53.60(5) . 7_557 ? Pt1 Pt8 Pt12 110.72(6) . 7_557 ? Cd5 Pt8 Pt12 176.89(7) . 7_557 ? Cd4 Pt8 Pt12 58.51(6) . 7_557 ? Pt7 Pt8 Pt12 118.25(5) . 7_557 ? Pt9 Pt8 Pt12 119.64(5) . 7_557 ? C8 Pt9 Pt5 173.2(9) . 7_557 ? C8 Pt9 Cd2 101.9(9) . . ? Pt5 Pt9 Cd2 71.33(6) 7_557 . ? C8 Pt9 Cd1 113.8(10) . 7_557 ? Pt5 Pt9 Cd1 69.88(7) 7_557 7_557 ? Cd2 Pt9 Cd1 115.46(9) . 7_557 ? C8 Pt9 Pt2 115.0(9) . . ? Pt5 Pt9 Pt2 62.37(5) 7_557 . ? Cd2 Pt9 Pt2 60.00(6) . . ? Cd1 Pt9 Pt2 130.72(7) 7_557 . ? C8 Pt9 Pt8 125.9(9) . . ? Pt5 Pt9 Pt8 60.79(4) 7_557 . ? Cd2 Pt9 Pt8 130.79(7) . . ? Cd1 Pt9 Pt8 58.54(6) 7_557 . ? Pt2 Pt9 Pt8 86.98(5) . . ? C8 Pt9 Cd5 92.0(8) . . ? Pt5 Pt9 Cd5 91.43(7) 7_557 . ? Cd2 Pt9 Cd5 115.89(8) . . ? Cd1 Pt9 Cd5 114.57(7) 7_557 . ? Pt2 Pt9 Cd5 57.48(6) . . ? Pt8 Pt9 Cd5 57.77(6) . . ? C8 Pt9 Pt13 122.3(8) . 7_557 ? Pt5 Pt9 Pt13 54.15(5) 7_557 7_557 ? Cd2 Pt9 Pt13 58.00(6) . 7_557 ? Cd1 Pt9 Pt13 57.53(6) 7_557 7_557 ? Pt2 Pt9 Pt13 100.25(5) . 7_557 ? Pt8 Pt9 Pt13 98.76(5) . 7_557 ? Cd5 Pt9 Pt13 145.58(7) . 7_557 ? C1 Pt10 Pt4 147.1(11) . . ? C1 Pt10 Pt1 145.9(10) . . ? Pt4 Pt10 Pt1 58.17(4) . . ? C1 Pt10 Cd2 85.0(10) . 7_557 ? Pt4 Pt10 Cd2 89.76(7) . 7_557 ? Pt1 Pt10 Cd2 125.24(6) . 7_557 ? C1 Pt10 Cd4 86.6(10) . . ? Pt4 Pt10 Cd4 67.53(6) . . ? Pt1 Pt10 Cd4 90.70(6) . . ? Cd2 Pt10 Cd4 118.51(9) 7_557 . ? C1 Pt10 Pt5 145.1(10) . . ? Pt4 Pt10 Pt5 57.88(4) . . ? Pt1 Pt10 Pt5 57.57(4) . . ? Cd2 Pt10 Pt5 67.92(6) 7_557 . ? Cd4 Pt10 Pt5 125.19(7) . . ? C1 Pt10 Cd3 84.5(10) . . ? Pt4 Pt10 Cd3 125.44(6) . . ? Pt1 Pt10 Cd3 67.49(6) . . ? Cd2 Pt10 Cd3 119.70(9) 7_557 . ? Cd4 Pt10 Cd3 119.87(9) . . ? Pt5 Pt10 Cd3 89.99(6) . . ? C1 Pt10 Pt7 95.1(10) . . ? Pt4 Pt10 Pt7 90.61(5) . . ? Pt1 Pt10 Pt7 54.40(4) . . ? Cd2 Pt10 Pt7 179.13(8) 7_557 . ? Cd4 Pt10 Pt7 62.36(6) . . ? Pt5 Pt10 Pt7 111.65(5) . . ? Cd3 Pt10 Pt7 59.46(6) . . ? C1 Pt10 Pt13 94.1(10) . . ? Pt4 Pt10 Pt13 111.12(5) . . ? Pt1 Pt10 Pt13 89.78(5) . . ? Cd2 Pt10 Pt13 59.70(6) 7_557 . ? Cd4 Pt10 Pt13 177.97(8) . . ? Pt5 Pt10 Pt13 53.63(4) . . ? Cd3 Pt10 Pt13 62.11(6) . . ? Pt7 Pt10 Pt13 119.43(6) . . ? C1 Pt10 Pt11 95.7(10) . 7_557 ? Pt4 Pt10 Pt11 54.07(4) . 7_557 ? Pt1 Pt10 Pt11 111.93(5) . 7_557 ? Cd2 Pt10 Pt11 61.36(7) 7_557 7_557 ? Cd4 Pt10 Pt11 59.13(6) . 7_557 ? Pt5 Pt10 Pt11 90.41(5) . 7_557 ? Cd3 Pt10 Pt11 178.93(7) . 7_557 ? Pt7 Pt10 Pt11 119.47(6) . 7_557 ? Pt13 Pt10 Pt11 118.89(6) . 7_557 ? C6 Pt11 Pt4 175.4(12) . 7_557 ? C6 Pt11 Cd6 108.7(10) . . ? Pt4 Pt11 Cd6 71.53(6) 7_557 . ? C6 Pt11 Cd4 105.8(11) . 7_557 ? Pt4 Pt11 Cd4 70.30(6) 7_557 7_557 ? Cd6 Pt11 Cd4 115.34(8) . 7_557 ? C6 Pt11 Pt2 122.6(11) . . ? Pt4 Pt11 Pt2 61.68(5) 7_557 . ? Cd6 Pt11 Pt2 59.03(6) . . ? Cd4 Pt11 Pt2 130.83(7) 7_557 . ? C6 Pt11 Pt10 119.7(10) . 7_557 ? Pt4 Pt11 Pt10 60.85(5) 7_557 7_557 ? Cd6 Pt11 Pt10 131.04(7) . 7_557 ? Cd4 Pt11 Pt10 59.20(6) 7_557 7_557 ? Pt2 Pt11 Pt10 87.49(5) . 7_557 ? C6 Pt11 Cd2 92.3(11) . . ? Pt4 Pt11 Cd2 91.70(6) 7_557 . ? Cd6 Pt11 Cd2 116.02(8) . . ? Cd4 Pt11 Cd2 115.26(9) 7_557 . ? Pt2 Pt11 Cd2 58.80(6) . . ? Pt10 Pt11 Cd2 57.92(6) 7_557 . ? C6 Pt11 Pt12 121.7(11) . . ? Pt4 Pt11 Pt12 54.33(4) 7_557 . ? Cd6 Pt11 Pt12 57.91(6) . . ? Cd4 Pt11 Pt12 57.48(6) 7_557 . ? Pt2 Pt11 Pt12 99.08(5) . . ? Pt10 Pt11 Pt12 99.06(5) 7_557 . ? Cd2 Pt11 Pt12 146.03(7) . . ? C4 Pt12 Pt4 171.7(13) . 7_557 ? C4 Pt12 Cd4 110.0(13) . 7_557 ? Pt4 Pt12 Cd4 70.43(6) 7_557 7_557 ? C4 Pt12 Cd6 101.7(13) . . ? Pt4 Pt12 Cd6 71.27(7) 7_557 . ? Cd4 Pt12 Cd6 115.19(8) 7_557 . ? C4 Pt12 Pt3 118.3(13) . . ? Pt4 Pt12 Pt3 62.41(4) 7_557 . ? Cd4 Pt12 Pt3 131.44(7) 7_557 . ? Cd6 Pt12 Pt3 60.00(6) . . ? C4 Pt12 Pt8 126.1(13) . 7_557 ? Pt4 Pt12 Pt8 61.65(5) 7_557 7_557 ? Cd4 Pt12 Pt8 59.72(6) 7_557 7_557 ? Cd6 Pt12 Pt8 131.49(7) . 7_557 ? Pt3 Pt12 Pt8 87.18(5) . 7_557 ? C4 Pt12 Cd1 95.0(13) . . ? Pt4 Pt12 Cd1 92.15(6) 7_557 . ? Cd4 Pt12 Cd1 114.97(9) 7_557 . ? Cd6 Pt12 Cd1 116.71(8) . . ? Pt3 Pt12 Cd1 58.36(6) . . ? Pt8 Pt12 Cd1 57.11(6) 7_557 . ? C4 Pt12 Pt11 118.5(13) . . ? Pt4 Pt12 Pt11 54.28(4) 7_557 . ? Cd4 Pt12 Pt11 57.78(6) 7_557 . ? Cd6 Pt12 Pt11 57.46(6) . . ? Pt3 Pt12 Pt11 100.01(5) . . ? Pt8 Pt12 Pt11 100.05(5) 7_557 . ? Cd1 Pt12 Pt11 146.42(7) . . ? C2 Pt13 Pt5 176.4(11) . . ? C2 Pt13 Cd1 107.5(11) . . ? Pt5 Pt13 Cd1 70.12(6) . . ? C2 Pt13 Cd2 108.2(11) . 7_557 ? Pt5 Pt13 Cd2 71.05(6) . 7_557 ? Cd1 Pt13 Cd2 115.24(8) . 7_557 ? C2 Pt13 Pt3 119.6(11) . . ? Pt5 Pt13 Pt3 61.76(5) . . ? Cd1 Pt13 Pt3 59.77(6) . . ? Cd2 Pt13 Pt3 131.23(7) 7_557 . ? C2 Pt13 Pt10 120.6(11) . . ? Pt5 Pt13 Pt10 62.20(5) . . ? Cd1 Pt13 Pt10 131.09(7) . . ? Cd2 Pt13 Pt10 58.87(6) 7_557 . ? Pt3 Pt13 Pt10 87.55(5) . . ? C2 Pt13 Cd3 90.7(11) . . ? Pt5 Pt13 Cd3 92.74(7) . . ? Cd1 Pt13 Cd3 116.38(8) . . ? Cd2 Pt13 Cd3 115.22(8) 7_557 . ? Pt3 Pt13 Cd3 58.35(6) . . ? Pt10 Pt13 Cd3 58.29(6) . . ? C2 Pt13 Pt9 122.3(11) . 7_557 ? Pt5 Pt13 Pt9 54.23(5) . 7_557 ? Cd1 Pt13 Pt9 57.93(6) . 7_557 ? Cd2 Pt13 Pt9 57.39(6) 7_557 7_557 ? Pt3 Pt13 Pt9 100.41(5) . 7_557 ? Pt10 Pt13 Pt9 99.19(5) . 7_557 ? Cd3 Pt13 Pt9 146.95(7) . 7_557 ? Br1 Cd1 Pt8 135.45(12) . 7_557 ? Br1 Cd1 Pt13 115.70(11) . . ? Pt8 Cd1 Pt13 105.91(9) 7_557 . ? Br1 Cd1 Pt9 123.42(12) . 7_557 ? Pt8 Cd1 Pt9 61.73(6) 7_557 7_557 ? Pt13 Cd1 Pt9 64.54(6) . 7_557 ? Br1 Cd1 Pt3 123.49(13) . . ? Pt8 Cd1 Pt3 89.81(8) 7_557 . ? Pt13 Cd1 Pt3 60.95(6) . . ? Pt9 Cd1 Pt3 105.92(8) 7_557 . ? Br1 Cd1 Pt12 108.70(11) . . ? Pt8 Cd1 Pt12 60.62(6) 7_557 . ? Pt13 Cd1 Pt12 118.29(9) . . ? Pt9 Cd1 Pt12 119.98(9) 7_557 . ? Pt3 Cd1 Pt12 59.31(6) . . ? Br1 Cd1 Pt5 166.58(11) . . ? Pt8 Cd1 Pt5 55.87(6) 7_557 . ? Pt13 Cd1 Pt5 51.28(5) . . ? Pt9 Cd1 Pt5 51.24(5) 7_557 . ? Pt3 Cd1 Pt5 56.14(6) . . ? Pt12 Cd1 Pt5 82.90(7) . . ? Br2 Cd2 Pt10 124.75(11) . 7_557 ? Br2 Cd2 Pt9 123.52(12) . . ? Pt10 Cd2 Pt9 106.09(8) 7_557 . ? Br2 Cd2 Pt13 117.98(12) . 7_557 ? Pt10 Cd2 Pt13 61.43(7) 7_557 7_557 ? Pt9 Cd2 Pt13 64.61(7) . 7_557 ? Br2 Cd2 Pt2 133.29(13) . . ? Pt10 Cd2 Pt2 89.82(7) 7_557 . ? Pt9 Cd2 Pt2 60.93(6) . . ? Pt13 Cd2 Pt2 105.54(8) 7_557 . ? Br2 Cd2 Pt11 107.06(12) . . ? Pt10 Cd2 Pt11 60.72(6) 7_557 . ? Pt9 Cd2 Pt11 119.10(8) . . ? Pt13 Cd2 Pt11 119.92(9) 7_557 . ? Pt2 Cd2 Pt11 60.03(6) . . ? Br2 Cd2 Pt5 167.98(13) . 7_557 ? Pt10 Cd2 Pt5 56.39(5) 7_557 7_557 ? Pt9 Cd2 Pt5 50.88(5) . 7_557 ? Pt13 Cd2 Pt5 50.69(5) 7_557 7_557 ? Pt2 Cd2 Pt5 56.12(5) . 7_557 ? Pt11 Cd2 Pt5 84.06(6) . 7_557 ? Br3 Cd3 Pt6 124.46(14) . . ? Br3 Cd3 Pt7 123.22(14) . . ? Pt6 Cd3 Pt7 65.35(6) . . ? Br3 Cd3 Pt3 128.72(14) . . ? Pt6 Cd3 Pt3 61.28(6) . . ? Pt7 Cd3 Pt3 105.64(8) . . ? Br3 Cd3 Pt10 126.65(13) . . ? Pt6 Cd3 Pt10 105.70(8) . . ? Pt7 Cd3 Pt10 60.57(6) . . ? Pt3 Cd3 Pt10 88.89(8) . . ? Br3 Cd3 Pt13 104.28(13) . . ? Pt6 Cd3 Pt13 118.54(8) . . ? Pt7 Cd3 Pt13 118.08(10) . . ? Pt3 Cd3 Pt13 59.33(6) . . ? Pt10 Cd3 Pt13 59.60(7) . . ? Br3 Cd3 Pt1 173.25(14) . . ? Pt6 Cd3 Pt1 51.28(5) . . ? Pt7 Cd3 Pt1 51.14(5) . . ? Pt3 Cd3 Pt1 55.59(5) . . ? Pt10 Cd3 Pt1 55.68(6) . . ? Pt13 Cd3 Pt1 82.38(7) . . ? Br4 Cd4 Pt12 116.70(13) . 7_557 ? Br4 Cd4 Pt11 117.29(13) . 7_557 ? Pt12 Cd4 Pt11 64.74(7) 7_557 7_557 ? Br4 Cd4 Pt10 131.71(13) . . ? Pt12 Cd4 Pt10 105.85(8) 7_557 . ? Pt11 Cd4 Pt10 61.67(6) 7_557 . ? Br4 Cd4 Pt8 130.20(13) . . ? Pt12 Cd4 Pt8 61.77(6) 7_557 . ? Pt11 Cd4 Pt8 106.35(8) 7_557 . ? Pt10 Cd4 Pt8 89.09(7) . . ? Br4 Cd4 Pt7 112.29(13) . . ? Pt12 Cd4 Pt7 119.14(8) 7_557 . ? Pt11 Cd4 Pt7 119.13(9) 7_557 . ? Pt10 Cd4 Pt7 59.46(6) . . ? Pt8 Cd4 Pt7 59.54(6) . . ? Br4 Cd4 Pt4 164.78(15) . . ? Pt12 Cd4 Pt4 51.38(5) 7_557 . ? Pt11 Cd4 Pt4 51.27(5) 7_557 . ? Pt10 Cd4 Pt4 55.67(5) . . ? Pt8 Cd4 Pt4 56.35(5) . . ? Pt7 Cd4 Pt4 82.92(7) . . ? Br5 Cd5 Pt6 118.83(13) . . ? Br5 Cd5 Pt7 118.64(11) . . ? Pt6 Cd5 Pt7 65.38(6) . . ? Br5 Cd5 Pt2 130.48(12) . . ? Pt6 Cd5 Pt2 62.03(6) . . ? Pt7 Cd5 Pt2 106.32(9) . . ? Br5 Cd5 Pt8 129.82(13) . . ? Pt6 Cd5 Pt8 106.25(9) . . ? Pt7 Cd5 Pt8 61.20(6) . . ? Pt2 Cd5 Pt8 88.82(8) . . ? Br5 Cd5 Pt9 110.34(12) . . ? Pt6 Cd5 Pt9 118.99(9) . . ? Pt7 Cd5 Pt9 118.45(10) . . ? Pt2 Cd5 Pt9 59.04(6) . . ? Pt8 Cd5 Pt9 59.29(6) . . ? Br5 Cd5 Pt1 166.85(12) . . ? Pt6 Cd5 Pt1 51.21(6) . . ? Pt7 Cd5 Pt1 51.38(5) . . ? Pt2 Cd5 Pt1 55.92(5) . . ? Pt8 Cd5 Pt1 56.26(6) . . ? Pt9 Cd5 Pt1 82.81(7) . . ? Br6 Cd6 Pt2 134.10(14) . . ? Br6 Cd6 Pt11 122.17(12) . . ? Pt2 Cd6 Pt11 61.65(6) . . ? Br6 Cd6 Pt12 116.93(14) . . ? Pt2 Cd6 Pt12 105.58(9) . . ? Pt11 Cd6 Pt12 64.64(7) . . ? Br6 Cd6 Pt3 125.77(12) . . ? Pt2 Cd6 Pt3 89.20(7) . . ? Pt11 Cd6 Pt3 105.54(9) . . ? Pt12 Cd6 Pt3 60.66(6) . . ? Br6 Cd6 Pt6 109.17(13) . . ? Pt2 Cd6 Pt6 60.43(6) . . ? Pt11 Cd6 Pt6 119.78(9) . . ? Pt12 Cd6 Pt6 118.00(9) . . ? Pt3 Cd6 Pt6 59.26(6) . . ? Br6 Cd6 Pt4 166.69(14) . 7_557 ? Pt2 Cd6 Pt4 55.86(6) . 7_557 ? Pt11 Cd6 Pt4 50.85(5) . 7_557 ? Pt12 Cd6 Pt4 50.79(6) . 7_557 ? Pt3 Cd6 Pt4 56.01(6) . 7_557 ? Pt6 Cd6 Pt4 83.26(7) . 7_557 ? O1 C1 Pt10 171(3) . . ? O2 C2 Pt13 178(4) . . ? O3 C3 Pt3 176(4) . . ? O4 C4 Pt12 178(4) . . ? O5 C5 Pt6 172(4) . . ? O6 C6 Pt11 176(3) . . ? O7 C7 Pt2 173(3) . . ? O8 C8 Pt9 176(3) . . ? O9 C9 Pt8 174(3) . . ? O10 C10 Pt7 175(3) . . ? C21 P1 C21 106(2) . 2_756 ? C21 P1 C27 115.0(14) . 2_756 ? C21 P1 C27 108.9(15) 2_756 2_756 ? C21 P1 C27 108.9(15) . . ? C21 P1 C27 115.0(14) 2_756 . ? C27 P1 C27 103.2(19) 2_756 . ? C22 C21 C26 120.0 . . ? C22 C21 P1 118(2) . . ? C26 C21 P1 122(2) . . ? C23 C22 C21 120.0 . . ? C23 C22 H22 120.0 . . ? C21 C22 H22 120.0 . . ? C22 C23 C24 120.0 . . ? C22 C23 H23 120.0 . . ? C24 C23 H23 120.0 . . ? C23 C24 C25 120.0 . . ? C23 C24 H24 120.0 . . ? C25 C24 H24 120.0 . . ? C26 C25 C24 120.0 . . ? C26 C25 H25 120.0 . . ? C24 C25 H25 120.0 . . ? C25 C26 C21 120.0 . . ? C25 C26 H26 120.0 . . ? C21 C26 H26 120.0 . . ? C28 C27 C32 120.0 . . ? C28 C27 P1 121.4(16) . . ? C32 C27 P1 118.3(16) . . ? C27 C28 C29 120.0 . . ? C27 C28 H28 120.0 . . ? C29 C28 H28 120.0 . . ? C28 C29 C30 120.0 . . ? C28 C29 H29 120.0 . . ? C30 C29 H29 120.0 . . ? C31 C30 C29 120.0 . . ? C31 C30 H30 120.0 . . ? C29 C30 H30 120.0 . . ? C32 C31 C30 120.0 . . ? C32 C31 H31 120.0 . . ? C30 C31 H31 120.0 . . ? C31 C32 C27 120.0 . . ? C31 C32 H32 120.0 . . ? C27 C32 H32 120.0 . . ? C47 P2 C53 107.4(10) . . ? C47 P2 C59' 112.0(15) . . ? C53 P2 C59' 104(2) . . ? C47 P2 C41 110.1(10) . . ? C53 P2 C41 109.7(9) . . ? C59' P2 C41 113.3(15) . . ? C47 P2 C59 111.8(13) . . ? C53 P2 C59 111.9(12) . . ? C59' P2 C59 9(2) . . ? C41 P2 C59 106.0(12) . . ? C42 C41 C46 120.0 . . ? C42 C41 P2 120.3(11) . . ? C46 C41 P2 119.6(10) . . ? C41 C42 C43 120.0 . . ? C41 C42 H42 120.0 . . ? C43 C42 H42 120.0 . . ? C42 C43 C44 120.0 . . ? C42 C43 H43 120.0 . . ? C44 C43 H43 120.0 . . ? C43 C44 C45 120.0 . . ? C43 C44 H44 120.0 . . ? C45 C44 H44 120.0 . . ? C46 C45 C44 120.0 . . ? C46 C45 H45 120.0 . . ? C44 C45 H45 120.0 . . ? C45 C46 C41 120.0 . . ? C45 C46 H46 120.0 . . ? C41 C46 H46 120.0 . . ? C48 C47 C52 120.0 . . ? C48 C47 P2 121.4(11) . . ? C52 C47 P2 118.5(11) . . ? C47 C48 C49 120.0 . . ? C47 C48 H48 120.0 . . ? C49 C48 H48 120.0 . . ? C50 C49 C48 120.0 . . ? C50 C49 H49 120.0 . . ? C48 C49 H49 120.0 . . ? C51 C50 C49 120.0 . . ? C51 C50 H50 120.0 . . ? C49 C50 H50 120.0 . . ? C52 C51 C50 120.0 . . ? C52 C51 H51 120.0 . . ? C50 C51 H51 120.0 . . ? C51 C52 C47 120.0 . . ? C51 C52 H52 120.0 . . ? C47 C52 H52 120.0 . . ? C54 C53 C58 120.0 . . ? C54 C53 P2 120.1(11) . . ? C58 C53 P2 119.9(11) . . ? C55 C54 C53 120.0 . . ? C55 C54 H54 120.0 . . ? C53 C54 H54 120.0 . . ? C54 C55 C56 120.0 . . ? C54 C55 H55 120.0 . . ? C56 C55 H55 120.0 . . ? C57 C56 C55 120.0 . . ? C57 C56 H56 120.0 . . ? C55 C56 H56 120.0 . . ? C58 C57 C56 120.0 . . ? C58 C57 H57 120.0 . . ? C56 C57 H57 120.0 . . ? C57 C58 C53 120.0 . . ? C57 C58 H58 120.0 . . ? C53 C58 H58 120.0 . . ? C60 C59 C64 120.0 . . ? C60 C59 P2 120.8(15) . . ? C64 C59 P2 119.2(15) . . ? C59 C60 C61 120.0 . . ? C59 C60 H60 120.0 . . ? C61 C60 H60 120.0 . . ? C60 C61 C62 120.0 . . ? C60 C61 H61 120.0 . . ? C62 C61 H61 120.0 . . ? C63 C62 C61 120.0 . . ? C63 C62 H62 120.0 . . ? C61 C62 H62 120.0 . . ? C62 C63 C64 120.0 . . ? C62 C63 H63 120.0 . . ? C64 C63 H63 120.0 . . ? C63 C64 C59 120.0 . . ? C63 C64 H64 120.0 . . ? C59 C64 H64 120.0 . . ? C60' C59' C64' 120.0 . . ? C60' C59' P2 115.4(15) . . ? C64' C59' P2 124.5(15) . . ? C59' C60' C61' 120.0 . . ? C59' C60' H60' 120.0 . . ? C61' C60' H60' 120.0 . . ? C62' C61' C60' 120.0 . . ? C62' C61' H61' 120.0 . . ? C60' C61' H61' 120.0 . . ? C61' C62' C63' 120.0 . . ? C61' C62' H62' 120.0 . . ? C63' C62' H62' 120.0 . . ? C64' C63' C62' 120.0 . . ? C64' C63' H63' 120.0 . . ? C62' C63' H63' 120.0 . . ? C63' C64' C59' 120.0 . . ? C63' C64' H64' 120.0 . . ? C59' C64' H64' 120.0 . . ? C77 P3 C89 110.7(11) . . ? C77 P3 C71 108.3(11) . . ? C89 P3 C71 109.3(11) . . ? C77 P3 C83 108.7(11) . . ? C89 P3 C83 110.9(11) . . ? C71 P3 C83 109.0(10) . . ? C72 C71 C76 120.0 . . ? C72 C71 P3 122.3(12) . . ? C76 C71 P3 117.7(12) . . ? C71 C72 C73 120.0 . . ? C71 C72 H72 120.0 . . ? C73 C72 H72 120.0 . . ? C74 C73 C72 120.0 . . ? C74 C73 H73 120.0 . . ? C72 C73 H73 120.0 . . ? C75 C74 C73 120.0 . . ? C75 C74 H74 120.0 . . ? C73 C74 H74 120.0 . . ? C74 C75 C76 120.0 . . ? C74 C75 H75 120.0 . . ? C76 C75 H75 120.0 . . ? C75 C76 C71 120.0 . . ? C75 C76 H76 120.0 . . ? C71 C76 H76 120.0 . . ? C78 C77 C82 120.0 . . ? C78 C77 P3 122.3(13) . . ? C82 C77 P3 117.7(13) . . ? C77 C78 C79 120.0 . . ? C77 C78 H78 120.0 . . ? C79 C78 H78 120.0 . . ? C80 C79 C78 120.0 . . ? C80 C79 H79 120.0 . . ? C78 C79 H79 120.0 . . ? C79 C80 C81 120.0 . . ? C79 C80 H80 120.0 . . ? C81 C80 H80 120.0 . . ? C80 C81 C82 120.0 . . ? C80 C81 H81 120.0 . . ? C82 C81 H81 120.0 . . ? C81 C82 C77 120.0 . . ? C81 C82 H82 120.0 . . ? C77 C82 H82 120.0 . . ? C84 C83 C88 120.0 . . ? C84 C83 P3 119.7(11) . . ? C88 C83 P3 120.1(11) . . ? C85 C84 C83 120.0 . . ? C85 C84 H84 120.0 . . ? C83 C84 H84 120.0 . . ? C86 C85 C84 120.0 . . ? C86 C85 H85 120.0 . . ? C84 C85 H85 120.0 . . ? C85 C86 C87 120.0 . . ? C85 C86 H86 120.0 . . ? C87 C86 H86 120.0 . . ? C88 C87 C86 120.0 . . ? C88 C87 H87 120.0 . . ? C86 C87 H87 120.0 . . ? C87 C88 C83 120.0 . . ? C87 C88 H88 120.0 . . ? C83 C88 H88 120.0 . . ? C90 C89 C94 120.0 . . ? C90 C89 P3 120.0(11) . . ? C94 C89 P3 120.0(11) . . ? C89 C90 C91 120.0 . . ? C89 C90 H90 120.0 . . ? C91 C90 H90 120.0 . . ? C92 C91 C90 120.0 . . ? C92 C91 H91 120.0 . . ? C90 C91 H91 120.0 . . ? C91 C92 C93 120.0 . . ? C91 C92 H92 120.0 . . ? C93 C92 H92 120.0 . . ? C94 C93 C92 120.0 . . ? C94 C93 H93 120.0 . . ? C92 C93 H93 120.0 . . ? C93 C94 C89 120.0 . . ? C93 C94 H94 120.0 . . ? C89 C94 H94 120.0 . . ? C101 P4 C119 108.6(10) . . ? C101 P4 C107 107.4(11) . . ? C119 P4 C107 116.3(10) . . ? C101 P4 C113 106.5(9) . . ? C119 P4 C113 110.9(11) . . ? C107 P4 C113 106.8(11) . . ? C102 C101 C106 120.0 . . ? C102 C101 P4 122.7(10) . . ? C106 C101 P4 116.7(10) . . ? C103 C102 C101 120.0 . . ? C103 C102 H102 120.0 . . ? C101 C102 H102 120.0 . . ? C102 C103 C104 120.0 . . ? C102 C103 H103 120.0 . . ? C104 C103 H103 120.0 . . ? C103 C104 C105 120.0 . . ? C103 C104 H104 120.0 . . ? C105 C104 H104 120.0 . . ? C106 C105 C104 120.0 . . ? C106 C105 H105 120.0 . . ? C104 C105 H105 120.0 . . ? C105 C106 C101 120.0 . . ? C105 C106 H106 120.0 . . ? C101 C106 H106 120.0 . . ? C108 C107 C112 120.0 . . ? C108 C107 P4 126.1(15) . . ? C112 C107 P4 110.2(12) . . ? C109 C108 C107 120.0 . . ? C109 C108 H108 120.0 . . ? C107 C108 H108 120.0 . . ? C108 C109 C110 120.0 . . ? C108 C109 H109 120.0 . . ? C110 C109 H109 120.0 . . ? C109 C110 C111 120.0 . . ? C109 C110 H110 120.0 . . ? C111 C110 H110 120.0 . . ? C112 C111 C110 120.0 . . ? C112 C111 H111 120.0 . . ? C110 C111 H111 120.0 . . ? C111 C112 C107 120.0 . . ? C111 C112 H112 120.0 . . ? C107 C112 H112 120.0 . . ? C114 C113 C118 120.0 . . ? C114 C113 P4 118.2(10) . . ? C118 C113 P4 121.7(10) . . ? C115 C114 C113 120.0 . . ? C115 C114 H114 120.0 . . ? C113 C114 H114 120.0 . . ? C114 C115 C116 120.0 . . ? C114 C115 H115 120.0 . . ? C116 C115 H115 120.0 . . ? C117 C116 C115 120.0 . . ? C117 C116 H116 120.0 . . ? C115 C116 H116 120.0 . . ? C118 C117 C116 120.0 . . ? C118 C117 H117 120.0 . . ? C116 C117 H117 120.0 . . ? C117 C118 C113 120.0 . . ? C117 C118 H118 120.0 . . ? C113 C118 H118 120.0 . . ? C120 C119 C124 120.0 . . ? C120 C119 P4 119.7(11) . . ? C124 C119 P4 119.7(11) . . ? C119 C120 C121 120.0 . . ? C119 C120 H120 120.0 . . ? C121 C120 H120 120.0 . . ? C120 C121 C122 120.0 . . ? C120 C121 H121 120.0 . . ? C122 C121 H121 120.0 . . ? C123 C122 C121 120.0 . . ? C123 C122 H122 120.0 . . ? C121 C122 H122 120.0 . . ? C124 C123 C122 120.0 . . ? C124 C123 H123 120.0 . . ? C122 C123 H123 120.0 . . ? C123 C124 C119 120.0 . . ? C123 C124 H124 120.0 . . ? C119 C124 H124 120.0 . . ? C137 P5 C149 112.6(14) . . ? C137 P5 C131 110.2(15) . . ? C149 P5 C131 109.1(15) . . ? C137 P5 C143 107.4(15) . . ? C149 P5 C143 109.6(15) . . ? C131 P5 C143 107.7(13) . . ? C132 C131 C136 120.0 . . ? C132 C131 P5 122.5(15) . . ? C136 C131 P5 117.4(15) . . ? C133 C132 C131 120.0 . . ? C133 C132 H132 120.0 . . ? C131 C132 H132 120.0 . . ? C134 C133 C132 120.0 . . ? C134 C133 H133 120.0 . . ? C132 C133 H133 120.0 . . ? C133 C134 C135 120.0 . . ? C133 C134 H134 120.0 . . ? C135 C134 H134 120.0 . . ? C136 C135 C134 120.0 . . ? C136 C135 H135 120.0 . . ? C134 C135 H135 120.0 . . ? C135 C136 C131 120.0 . . ? C135 C136 H136 120.0 . . ? C131 C136 H136 120.0 . . ? C138 C137 C142 120.0 . . ? C138 C137 P5 123.3(16) . . ? C142 C137 P5 116.6(16) . . ? C139 C138 C137 120.0 . . ? C139 C138 H138 120.0 . . ? C137 C138 H138 120.0 . . ? C138 C139 C140 120.0 . . ? C138 C139 H139 120.0 . . ? C140 C139 H139 120.0 . . ? C141 C140 C139 120.0 . . ? C141 C140 H140 120.0 . . ? C139 C140 H140 120.0 . . ? C140 C141 C142 120.0 . . ? C140 C141 H141 120.0 . . ? C142 C141 H141 120.0 . . ? C141 C142 C137 120.0 . . ? C141 C142 H142 120.0 . . ? C137 C142 H142 120.0 . . ? C144 C143 C148 120.0 . . ? C144 C143 P5 119.1(15) . . ? C148 C143 P5 120.9(15) . . ? C143 C144 C145 120.0 . . ? C143 C144 H144 120.0 . . ? C145 C144 H144 120.0 . . ? C146 C145 C144 120.0 . . ? C146 C145 H145 120.0 . . ? C144 C145 H145 120.0 . . ? C147 C146 C145 120.0 . . ? C147 C146 H146 120.0 . . ? C145 C146 H146 120.0 . . ? C146 C147 C148 120.0 . . ? C146 C147 H147 120.0 . . ? C148 C147 H147 120.0 . . ? C147 C148 C143 120.0 . . ? C147 C148 H148 120.0 . . ? C143 C148 H148 120.0 . . ? C150 C149 C154 120.0 . . ? C150 C149 P5 120.4(16) . . ? C154 C149 P5 119.6(16) . . ? C151 C150 C149 120.0 . . ? C151 C150 H150 120.0 . . ? C149 C150 H150 120.0 . . ? C150 C151 C152 120.0 . . ? C150 C151 H151 120.0 . . ? C152 C151 H151 120.0 . . ? C153 C152 C151 120.0 . . ? C153 C152 H152 120.0 . . ? C151 C152 H152 120.0 . . ? C152 C153 C154 120.0 . . ? C152 C153 H153 120.0 . . ? C154 C153 H153 120.0 . . ? C153 C154 C149 120.0 . . ? C153 C154 H154 120.0 . . ? C149 C154 H154 120.0 . . ? C302 C301 H30A 109.5 . . ? C302 C301 H30B 109.5 . . ? H30A C301 H30B 109.5 . . ? C302 C301 H30C 109.5 . . ? H30A C301 H30C 109.5 . . ? H30B C301 H30C 109.5 . . ? N303 C302 C301 157(9) . . ? C202 C201 H20A 109.5 . . ? C202 C201 H20B 109.5 . . ? H20A C201 H20B 109.5 . . ? C202 C201 H20C 109.5 . . ? H20A C201 H20C 109.5 . . ? H20B C201 H20C 109.5 . . ? N203 C202 C201 172(7) . . ? C402 C401 H40A 109.5 . . ? C402 C401 H40B 109.5 . . ? H40A C401 H40B 109.5 . . ? C402 C401 H40C 109.5 . . ? H40A C401 H40C 109.5 . . ? H40B C401 H40C 109.5 . . ? N403 C402 C401 163(10) . . ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 25.03 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 4.037 _refine_diff_density_min -2.960 _refine_diff_density_rms 0.505 # Attachment 'P-1.CIF' data_p-1 _database_code_depnum_ccdc_archive 'CCDC 867748' #TrackingRef 'P-1.CIF' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C195.70 H193.96 Br12.57 Cd12 N10.57 O30.57 P6 Pt26.57' _chemical_formula_weight 10905.70 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' Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cd Cd -0.8075 1.2024 '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' N N 0.0061 0.0033 '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 19.014(4) _cell_length_b 19.296(8) _cell_length_c 20.388(5) _cell_angle_alpha 109.550(4) _cell_angle_beta 116.364(3) _cell_angle_gamma 93.478(4) _cell_volume 6119(3) _cell_formula_units_Z 1 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 8844 _cell_measurement_theta_min 2.2365 _cell_measurement_theta_max 25.5175 _exptl_crystal_description prism _exptl_crystal_colour black _exptl_crystal_size_max 0.21 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.960 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4865 _exptl_absorpt_coefficient_mu 18.281 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.1140 _exptl_absorpt_correction_T_max 0.2177 _exptl_absorpt_process_details ? _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 graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 57124 _diffrn_reflns_av_R_equivalents 0.1887 _diffrn_reflns_av_sigmaI/netI 0.2417 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.22 _diffrn_reflns_theta_max 25.03 _reflns_number_total 21501 _reflns_number_gt 9457 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1148P)^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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 21501 _refine_ls_number_parameters 1091 _refine_ls_number_restraints 824 _refine_ls_R_factor_all 0.2144 _refine_ls_R_factor_gt 0.0964 _refine_ls_wR_factor_ref 0.2842 _refine_ls_wR_factor_gt 0.2214 _refine_ls_goodness_of_fit_ref 0.979 _refine_ls_restrained_S_all 0.963 _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 1.02074(8) 0.43858(9) 0.41807(8) 0.0338(4) Uani 1 1 d . . . Pt2 Pt 0.95859(8) 0.30469(9) 0.42184(8) 0.0336(4) Uani 1 1 d . . . Pt3 Pt 0.95448(8) 0.55903(9) 0.43994(8) 0.0327(4) Uani 1 1 d . . . Pt4 Pt 1.08267(8) 0.56750(9) 0.40696(8) 0.0336(4) Uani 1 1 d . . . Pt5 Pt 0.86385(8) 0.42818(9) 0.29853(8) 0.0334(4) Uani 1 1 d . A . Pt6 Pt 0.89478(9) 0.43198(9) 0.44704(8) 0.0350(4) Uani 1 1 d . . . Pt7 Pt 1.17629(8) 0.44351(9) 0.53109(8) 0.0350(4) Uani 1 1 d . . . Pt8 Pt 0.92290(8) 0.57599(9) 0.31050(8) 0.0350(4) Uani 1 1 d . . . Pt9 Pt 0.95967(9) 0.31864(9) 0.28614(8) 0.0370(4) Uani 1 1 d . A . Pt10 Pt 1.12431(9) 0.42548(10) 0.36790(8) 0.0376(4) Uani 1 1 d . A . Pt11 Pt 0.81530(9) 0.31189(10) 0.43693(8) 0.0402(4) Uani 1 1 d . . . Pt12 Pt 0.74390(9) 0.40702(10) 0.34470(8) 0.0401(4) Uani 1 1 d . . . Pt13 Pt 1.10896(8) 0.32648(9) 0.55922(8) 0.0363(4) Uani 1 1 d . . . Cd1 Cd 1.09798(16) 0.30100(17) 0.40376(15) 0.0380(7) Uani 1 1 d . A . Cd2 Cd 0.96299(16) 0.29385(17) 0.55842(15) 0.0372(7) Uani 1 1 d . . . Cd3 Cd 0.80950(15) 0.28563(17) 0.28929(15) 0.0390(7) Uani 1 1 d . A . Cd4 Cd 0.77770(15) 0.54067(17) 0.31087(15) 0.0370(7) Uani 1 1 d . . . Cd5 Cd 0.98342(15) 0.44614(17) 0.25497(15) 0.0363(7) Uani 1 1 d . . . Cd6 Cd 1.24020(15) 0.56090(18) 0.50383(16) 0.0390(7) Uani 1 1 d . . . Br1 Br 1.1618(3) 0.1908(3) 0.3689(3) 0.0722(15) Uani 1 1 d . . . Br2 Br 0.9241(3) 0.1791(3) 0.5817(3) 0.0551(12) Uani 1 1 d . . . Br3 Br 0.7183(3) 0.1639(3) 0.1666(3) 0.0929(19) Uani 1 1 d U . . Br4 Br 0.6463(2) 0.5367(3) 0.1945(2) 0.0571(12) Uani 1 1 d . A . Br5 Br 0.9454(3) 0.4190(3) 0.1104(2) 0.0567(12) Uani 1 1 d . A . Br6 Br 1.3718(3) 0.5873(4) 0.5024(4) 0.097(2) Uani 1 1 d DU A . Pt17 Pt 0.6544(10) 0.2758(11) 0.3229(10) 0.194(9) Uiso 0.281(9) 1 d P A 1 Br7 Br 0.5209(10) 0.1955(14) 0.2602(14) 0.083(8) Uani 0.281(9) 1 d P A 1 C1 C 0.903(2) 0.594(3) 0.2240(19) 0.046(8) Uani 1 1 d U . . C2 C 1.129(2) 0.602(2) 0.358(2) 0.044(7) Uani 1 1 d U . . C3 C 1.195(3) 0.419(3) 0.333(3) 0.074(10) Uani 1 1 d U . . C4 C 0.796(2) 0.395(2) 0.194(2) 0.038(7) Uani 1 1 d U . . C5 C 0.921(2) 0.239(2) 0.192(2) 0.045(7) Uani 1 1 d U . . C6 C 0.938(2) 0.201(3) 0.378(2) 0.054(8) Uani 1 1 d U . . C7 C 1.146(2) 0.243(2) 0.564(2) 0.047(8) Uani 1 1 d U A . C8 C 0.756(3) 0.234(4) 0.425(3) 0.099(11) Uani 1 1 d U A . C9 C 0.636(4) 0.387(4) 0.287(3) 0.098(12) Uani 1 1 d U . . C10 C 1.267(3) 0.422(3) 0.549(3) 0.064(9) Uani 1 1 d U . . O1 O 0.8941(14) 0.6018(16) 0.1663(12) 0.046(6) Uani 1 1 d U A . O2 O 1.1536(14) 0.6181(15) 0.3206(14) 0.042(6) Uani 1 1 d U A . O3 O 1.2340(17) 0.406(2) 0.2986(18) 0.073(9) Uani 1 1 d U A . O4 O 0.7523(14) 0.3685(15) 0.1245(14) 0.043(6) Uani 1 1 d U A . O5 O 0.8958(15) 0.1924(17) 0.1288(15) 0.055(7) Uani 1 1 d U A . O6 O 0.9311(16) 0.1318(19) 0.3581(16) 0.059(7) Uani 1 1 d U A . O7 O 1.1630(15) 0.1853(16) 0.5573(16) 0.055(7) Uani 1 1 d U . . O8 O 0.724(2) 0.174(2) 0.424(2) 0.100(10) Uani 1 1 d U . . O9 O 0.570(2) 0.387(2) 0.256(2) 0.105(11) Uani 1 1 d U A . O10 O 1.3281(17) 0.3951(19) 0.5616(16) 0.064(8) Uani 1 1 d U A . P1 P 0.6557(6) 0.6801(7) 0.0212(6) 0.052(3) Uani 1 1 d . . . C101 C 0.679(2) 0.699(2) -0.0477(18) 0.108(6) Uani 1 1 d GU . . C102 C 0.726(2) 0.659(2) -0.075(2) 0.108(6) Uani 1 1 d GU . . H102 H 0.7420 0.6183 -0.0609 0.130 Uiso 1 1 calc R . . C103 C 0.7494(19) 0.679(2) -0.1232(19) 0.108(6) Uani 1 1 d GU . . H103 H 0.7814 0.6521 -0.1419 0.130 Uiso 1 1 calc R . . C104 C 0.726(2) 0.739(2) -0.1439(18) 0.108(6) Uani 1 1 d GU . . H104 H 0.7420 0.7529 -0.1767 0.130 Uiso 1 1 calc RD . . C105 C 0.679(2) 0.779(2) -0.116(2) 0.108(6) Uani 1 1 d GU . . H105 H 0.6632 0.8199 -0.1306 0.130 Uiso 1 1 calc R . . C106 C 0.6558(19) 0.759(2) -0.0683(19) 0.108(6) Uani 1 1 d GU . . H106 H 0.6238 0.7861 -0.0496 0.130 Uiso 1 1 calc RD . . C107 C 0.7372(15) 0.7337(15) 0.1200(12) 0.062(4) Uani 1 1 d GU . . C108 C 0.7587(16) 0.7069(12) 0.1799(16) 0.062(4) Uani 1 1 d GU . . H108 H 0.7303 0.6583 0.1684 0.074 Uiso 1 1 calc R . . C109 C 0.8218(17) 0.7511(15) 0.2567(14) 0.062(4) Uani 1 1 d GU . . H109 H 0.8366 0.7327 0.2976 0.074 Uiso 1 1 calc R . . C110 C 0.8634(15) 0.8221(15) 0.2736(12) 0.062(4) Uani 1 1 d GU . . H110 H 0.9033 0.8501 0.3222 0.074 Uiso 1 1 calc RD . . C111 C 0.8419(16) 0.8489(12) 0.2137(16) 0.062(4) Uani 1 1 d GU . . H111 H 0.8703 0.8974 0.2252 0.074 Uiso 1 1 calc R . . C112 C 0.7788(17) 0.8047(16) 0.1369(14) 0.062(4) Uani 1 1 d GU . . H112 H 0.7641 0.8230 0.0959 0.074 Uiso 1 1 calc R . . C113 C 0.6435(17) 0.5813(12) 0.0021(16) 0.056(4) Uani 1 1 d GU . . C114 C 0.5687(13) 0.5307(16) -0.0346(15) 0.056(4) Uani 1 1 d GU . . H114 H 0.5204 0.5475 -0.0528 0.067 Uiso 1 1 calc R . . C115 C 0.5647(12) 0.4553(14) -0.0448(15) 0.056(4) Uani 1 1 d GU . . H115 H 0.5137 0.4207 -0.0699 0.067 Uiso 1 1 calc R . . C116 C 0.6355(16) 0.4307(12) -0.0182(16) 0.056(4) Uani 1 1 d GU . . H116 H 0.6327 0.3792 -0.0252 0.067 Uiso 1 1 calc R . . C117 C 0.7102(13) 0.4813(16) 0.0185(15) 0.056(4) Uani 1 1 d GU . . H117 H 0.7585 0.4644 0.0367 0.067 Uiso 1 1 calc R . . C118 C 0.7142(12) 0.5566(14) 0.0287(15) 0.056(4) Uani 1 1 d GU . . H118 H 0.7653 0.5912 0.0538 0.067 Uiso 1 1 calc R . . C119 C 0.5627(12) 0.7045(16) 0.0091(15) 0.054(4) Uani 1 1 d GU . . C120 C 0.4963(15) 0.6808(15) -0.0673(12) 0.054(4) Uani 1 1 d GU . . H120 H 0.4990 0.6482 -0.1124 0.065 Uiso 1 1 calc R . . C121 C 0.4261(12) 0.7047(16) -0.0776(11) 0.054(4) Uani 1 1 d GU . . H121 H 0.3807 0.6884 -0.1297 0.065 Uiso 1 1 calc R . . C122 C 0.4222(12) 0.7523(16) -0.0115(15) 0.054(4) Uani 1 1 d GU . . H122 H 0.3741 0.7686 -0.0186 0.065 Uiso 1 1 calc R . . C123 C 0.4885(15) 0.7761(15) 0.0648(12) 0.054(4) Uani 1 1 d GU . . H123 H 0.4858 0.8086 0.1099 0.065 Uiso 1 1 calc R . . C124 C 0.5588(12) 0.7522(16) 0.0751(11) 0.054(4) Uani 1 1 d GU . . H124 H 0.6041 0.7684 0.1272 0.065 Uiso 1 1 calc R . . P2 P 0.4274(7) 0.8376(8) 0.2945(7) 0.058(3) Uani 1 1 d . . . C201 C 0.3560(17) 0.812(2) 0.1910(13) 0.097(7) Uani 1 1 d GU . . C202 C 0.307(2) 0.739(2) 0.1468(19) 0.097(7) Uani 1 1 d GU . . H202 H 0.3118 0.7038 0.1714 0.116 Uiso 1 1 calc R . . C203 C 0.2495(17) 0.7162(17) 0.0666(19) 0.097(7) Uani 1 1 d GU . . H203 H 0.2158 0.6661 0.0364 0.116 Uiso 1 1 calc R . . C204 C 0.2420(16) 0.767(2) 0.0306(13) 0.097(7) Uani 1 1 d GU . . H204 H 0.2030 0.7519 -0.0242 0.116 Uiso 1 1 calc R . . C205 C 0.2914(19) 0.841(2) 0.0748(19) 0.097(7) Uani 1 1 d GU . . H205 H 0.2866 0.8728 0.0520 0.116 Uiso 1 1 calc RD . . C206 C 0.3484(17) 0.8629(17) 0.1550(19) 0.097(7) Uani 1 1 d GU . . H206 H 0.3822 0.9131 0.1853 0.116 Uiso 1 1 calc R . . C207 C 0.5071(14) 0.7912(17) 0.3076(17) 0.070(5) Uani 1 1 d GU . . C208 C 0.5044(13) 0.7355(18) 0.2417(13) 0.070(5) Uani 1 1 d GU . . H208 H 0.4592 0.7214 0.1898 0.084 Uiso 1 1 calc R . . C209 C 0.5679(16) 0.7003(16) 0.2517(14) 0.070(5) Uani 1 1 d GU . . H209 H 0.5661 0.6622 0.2066 0.084 Uiso 1 1 calc R . . C210 C 0.6340(14) 0.7209(17) 0.3275(16) 0.070(5) Uani 1 1 d GU . . H210 H 0.6774 0.6969 0.3344 0.084 Uiso 1 1 calc R . . C211 C 0.6367(13) 0.7767(18) 0.3934(12) 0.070(5) Uani 1 1 d GU . . H211 H 0.6819 0.7908 0.4453 0.084 Uiso 1 1 calc R . . C212 C 0.5732(16) 0.8119(16) 0.3835(14) 0.070(5) Uani 1 1 d GU . . H212 H 0.5750 0.8500 0.4285 0.084 Uiso 1 1 calc R . . C213 C 0.3686(19) 0.818(2) 0.335(2) 0.090(6) Uani 1 1 d GU . . C214 C 0.302(2) 0.8490(18) 0.3264(19) 0.090(6) Uani 1 1 d GU . . H214 H 0.2900 0.8829 0.3005 0.108 Uiso 1 1 calc R . . C215 C 0.2538(16) 0.8299(19) 0.356(2) 0.090(6) Uani 1 1 d GU . . H215 H 0.2085 0.8508 0.3497 0.108 Uiso 1 1 calc R . . C216 C 0.2717(18) 0.780(2) 0.3935(19) 0.090(6) Uani 1 1 d GU . . H216 H 0.2386 0.7672 0.4135 0.108 Uiso 1 1 calc R . . C217 C 0.338(2) 0.7497(18) 0.4022(19) 0.090(6) Uani 1 1 d GU . . H217 H 0.3503 0.7157 0.4281 0.108 Uiso 1 1 calc R . . C218 C 0.3865(16) 0.769(2) 0.373(2) 0.090(6) Uani 1 1 d GU . . H218 H 0.4318 0.7479 0.3789 0.108 Uiso 1 1 calc R . . C219 C 0.469(2) 0.9361(15) 0.336(2) 0.090(6) Uani 1 1 d GU . . C220 C 0.525(2) 0.9589(19) 0.3161(18) 0.090(6) Uani 1 1 d GU . . H220 H 0.5362 0.9224 0.2795 0.108 Uiso 1 1 calc R . . C221 C 0.5646(18) 1.035(2) 0.349(2) 0.090(6) Uani 1 1 d GU . . H221 H 0.6026 1.0508 0.3357 0.108 Uiso 1 1 calc R . . C222 C 0.548(2) 1.0886(15) 0.4030(19) 0.090(6) Uani 1 1 d GU . . H222 H 0.5754 1.1407 0.4258 0.108 Uiso 1 1 calc R . . C223 C 0.493(2) 1.0658(19) 0.4231(18) 0.090(6) Uani 1 1 d GU . . H223 H 0.4817 1.1023 0.4597 0.108 Uiso 1 1 calc R . . C224 C 0.4533(19) 0.990(2) 0.390(2) 0.090(6) Uani 1 1 d GU . . H224 H 0.4153 0.9740 0.4035 0.107 Uiso 1 1 calc R . . P3 P 0.0322(7) 0.8863(7) 0.0857(7) 0.055(3) Uani 1 1 d . . . C301 C -0.0303(16) 0.9430(16) 0.1152(16) 0.061(4) Uani 1 1 d GU . . C302 C -0.1143(17) 0.9176(13) 0.0718(13) 0.061(4) Uani 1 1 d GU . . H302 H -0.1393 0.8698 0.0274 0.073 Uiso 1 1 calc R . . C303 C -0.1616(12) 0.9621(17) 0.0934(14) 0.061(4) Uani 1 1 d GU . . H303 H -0.2147 0.9459 0.0660 0.073 Uiso 1 1 calc RD . . C304 C -0.1249(16) 1.0320(15) 0.1585(16) 0.061(4) Uani 1 1 d GU . . H304 H -0.1572 1.0624 0.1732 0.073 Uiso 1 1 calc R . . C305 C -0.0409(17) 1.0574(13) 0.2019(13) 0.061(4) Uani 1 1 d GU . . H305 H -0.0159 1.1052 0.2463 0.073 Uiso 1 1 calc R . . C306 C 0.0064(12) 1.0129(17) 0.1802(14) 0.061(4) Uani 1 1 d GU . . H306 H 0.0637 1.0303 0.2099 0.073 Uiso 1 1 calc R . . C307 C -0.0195(14) 0.8393(14) -0.0191(10) 0.051(4) Uani 1 1 d GU . . C308 C -0.0228(14) 0.7634(14) -0.0566(14) 0.051(4) Uani 1 1 d GU . . H308 H 0.0026 0.7359 -0.0254 0.061 Uiso 1 1 calc R . . C309 C -0.0633(15) 0.7276(12) -0.1397(14) 0.051(4) Uani 1 1 d GU . . H309 H -0.0656 0.6757 -0.1653 0.061 Uiso 1 1 calc R . . C310 C -0.1005(14) 0.7679(14) -0.1853(10) 0.051(4) Uani 1 1 d GU . . H310 H -0.1281 0.7434 -0.2420 0.061 Uiso 1 1 calc R . . C311 C -0.0971(14) 0.8438(14) -0.1478(13) 0.051(4) Uani 1 1 d GU . . H311 H -0.1225 0.8713 -0.1790 0.061 Uiso 1 1 calc R . . C312 C -0.0566(15) 0.8796(11) -0.0647(14) 0.051(4) Uani 1 1 d GU . . H312 H -0.0543 0.9315 -0.0391 0.061 Uiso 1 1 calc R . . C313 C 0.0506(17) 0.8196(14) 0.1311(16) 0.058(4) Uani 1 1 d GU . . C314 C 0.0025(14) 0.8056(15) 0.1627(16) 0.058(4) Uani 1 1 d GU . . H314 H -0.0368 0.8337 0.1631 0.070 Uiso 1 1 calc R . . C315 C 0.0118(15) 0.7505(16) 0.1936(15) 0.058(4) Uani 1 1 d GU . . H315 H -0.0211 0.7409 0.2151 0.070 Uiso 1 1 calc R . . C316 C 0.0692(16) 0.7094(14) 0.1930(15) 0.058(4) Uani 1 1 d GU . . H316 H 0.0755 0.6717 0.2142 0.070 Uiso 1 1 calc R . . C317 C 0.1173(14) 0.7234(15) 0.1615(15) 0.058(4) Uani 1 1 d GU . . H317 H 0.1566 0.6953 0.1611 0.070 Uiso 1 1 calc R . . C318 C 0.1080(15) 0.7785(16) 0.1305(15) 0.058(4) Uani 1 1 d GU . . H318 H 0.1409 0.7880 0.1090 0.070 Uiso 1 1 calc R . . C319 C 0.1300(15) 0.9413(18) 0.1194(17) 0.071(5) Uani 1 1 d GU . . C320 C 0.1847(18) 0.9733(19) 0.2011(16) 0.071(5) Uani 1 1 d GU . . H320 H 0.1727 0.9601 0.2365 0.086 Uiso 1 1 calc R . . C321 C 0.2570(16) 1.0247(18) 0.2309(12) 0.072(5) Uani 1 1 d GU . . H321 H 0.2944 1.0466 0.2867 0.086 Uiso 1 1 calc R . . C322 C 0.2746(14) 1.0441(17) 0.1790(17) 0.072(5) Uani 1 1 d GU . . H322 H 0.3203 1.0767 0.1979 0.086 Uiso 1 1 calc R . . C323 C 0.2198(17) 1.0121(18) 0.0973(15) 0.072(5) Uani 1 1 d GU . . H323 H 0.2309 1.0243 0.0645 0.086 Uiso 1 1 calc RD . . C324 C 0.1475(16) 0.9607(18) 0.0675(13) 0.072(5) Uani 1 1 d GU . . H324 H 0.1101 0.9388 0.0117 0.086 Uiso 1 1 calc R . . O401 O 0.335(2) 0.052(3) 0.427(2) 0.131(15) Uiso 1 1 d DU . . C401 C 0.265(2) 0.044(3) 0.411(3) 0.089(15) Uiso 1 1 d DU . . H401 H 0.2344 0.0606 0.3696 0.107 Uiso 1 1 calc R . . N401 N 0.221(2) 0.017(3) 0.438(2) 0.105(14) Uiso 1 1 d DU . . C402 C 0.268(3) -0.001(4) 0.506(3) 0.14(3) Uiso 1 1 d DU . . H40A H 0.2366 -0.0168 0.5215 0.211 Uiso 1 1 calc RDU . . H40B H 0.3062 0.0395 0.5455 0.211 Uiso 1 1 calc RU . . H40C H 0.2914 -0.0373 0.4918 0.211 Uiso 1 1 calc RU . . C403 C 0.134(2) 0.007(4) 0.406(3) 0.107(19) Uiso 1 1 d DU . . H40D H 0.1181 -0.0085 0.4396 0.161 Uiso 1 1 calc RU . . H40E H 0.1057 -0.0328 0.3512 0.161 Uiso 1 1 calc RU . . H40F H 0.1197 0.0545 0.4051 0.161 Uiso 1 1 calc RU . . O501 O 0.637(2) 0.887(3) 0.241(3) 0.143(17) Uiso 1 1 d DU . . C501 C 0.705(3) 0.908(3) 0.296(3) 0.13(2) Uiso 1 1 d DU . . H501 H 0.7210 0.8777 0.3265 0.156 Uiso 1 1 calc R . . N501 N 0.762(2) 0.971(2) 0.320(3) 0.116(16) Uiso 1 1 d DU . . C502 C 0.732(3) 1.017(3) 0.275(4) 0.15(3) Uiso 1 1 d DU . . H50A H 0.7752 1.0613 0.2954 0.231 Uiso 1 1 calc RU . . H50B H 0.6866 1.0339 0.2812 0.231 Uiso 1 1 calc RU . . H50C H 0.7130 0.9869 0.2184 0.231 Uiso 1 1 calc RU . . C503 C 0.846(2) 0.992(3) 0.383(3) 0.11(2) Uiso 1 1 d DU . . H50D H 0.8709 1.0349 0.3880 0.171 Uiso 1 1 calc RU . . H50E H 0.8700 0.9561 0.3698 0.171 Uiso 1 1 calc RDU . . H50F H 0.8482 0.9972 0.4281 0.171 Uiso 1 1 calc RU . . O601 O 0.457(6) 0.229(6) 0.324(6) 0.25(4) Uiso 0.719(9) 1 d PDU A 2 C601 C 0.513(5) 0.224(5) 0.311(6) 0.19(4) Uiso 0.719(9) 1 d PDU A 2 H601 H 0.5590 0.2658 0.3453 0.228 Uiso 0.719(9) 1 calc PR A 2 N601 N 0.522(6) 0.167(5) 0.255(5) 0.17(4) Uiso 0.719(9) 1 d PDU A 2 C602 C 0.559(7) 0.195(6) 0.217(6) 0.20(5) Uiso 0.719(9) 1 d PDU A 2 H60A H 0.5732 0.1530 0.1860 0.293 Uiso 0.719(9) 1 calc PRU A 2 H60B H 0.6080 0.2352 0.2579 0.293 Uiso 0.719(9) 1 calc PRU A 2 H60C H 0.5207 0.2147 0.1811 0.293 Uiso 0.719(9) 1 calc PRU A 2 C603 C 0.483(7) 0.087(5) 0.219(7) 0.23(5) Uiso 0.719(9) 1 d PDU A 2 H60D H 0.5017 0.0616 0.1881 0.351 Uiso 0.719(9) 1 calc PRU A 2 H60E H 0.4305 0.0793 0.1908 0.351 Uiso 0.719(9) 1 calc PRDU A 2 H60F H 0.4941 0.0701 0.2573 0.351 Uiso 0.719(9) 1 calc PRU A 2 O611 O 0.398(6) 0.201(4) 0.442(7) 0.15(5) Uiso 0.281(9) 1 d PDU A 1 C611 C 0.411(5) 0.267(3) 0.455(5) 0.07(3) Uiso 0.281(9) 1 d PDU A 1 H611 H 0.4362 0.3020 0.5091 0.088 Uiso 0.281(9) 1 calc PR A 1 N611 N 0.395(4) 0.298(3) 0.400(4) 0.06(3) Uiso 0.281(9) 1 d PDU A 1 C612 C 0.356(9) 0.241(5) 0.318(4) 0.09(5) Uiso 0.281(9) 1 d PDU A 1 H61A H 0.3682 0.2608 0.2851 0.129 Uiso 0.281(9) 1 calc PRU A 1 H61B H 0.2973 0.2272 0.2964 0.129 Uiso 0.281(9) 1 calc PRU A 1 H61C H 0.3768 0.1953 0.3178 0.129 Uiso 0.281(9) 1 calc PRU A 1 C613 C 0.408(5) 0.377(4) 0.414(5) 0.02(2) Uiso 0.281(9) 1 d PDU A 1 H61D H 0.4301 0.3859 0.3813 0.029 Uiso 0.281(9) 1 calc PRU A 1 H61E H 0.4455 0.4082 0.4705 0.029 Uiso 0.281(9) 1 calc PRU A 1 H61F H 0.3558 0.3918 0.3986 0.029 Uiso 0.281(9) 1 calc PRU A 1 O621 O 0.751(3) 0.410(3) -0.140(4) 0.28(4) Uiso 1 1 d DU . . C621 C 0.806(3) 0.464(3) -0.086(3) 0.19(3) Uiso 1 1 d DU . . H621 H 0.8108 0.4730 -0.0349 0.229 Uiso 1 1 calc R . . N621 N 0.862(2) 0.513(2) -0.084(2) 0.144(19) Uiso 1 1 d DU . . C622 C 0.854(4) 0.501(4) -0.161(3) 0.14(3) Uiso 1 1 d DU . . H62A H 0.8953 0.5406 -0.1539 0.217 Uiso 1 1 calc RU . . H62B H 0.8003 0.5035 -0.1970 0.217 Uiso 1 1 calc RU . . H62C H 0.8631 0.4512 -0.1837 0.217 Uiso 1 1 calc RU . . C623 C 0.923(3) 0.579(3) -0.014(3) 0.12(2) Uiso 1 1 d DU . . H62D H 0.9533 0.6053 -0.0305 0.177 Uiso 1 1 calc RU . . H62E H 0.9599 0.5615 0.0255 0.177 Uiso 1 1 calc RU . . H62F H 0.8965 0.6131 0.0093 0.177 Uiso 1 1 calc RU . . O631 O 0.521(7) -0.033(8) 0.106(8) 0.17(6) Uiso 0.281(9) 1 d PDU A 1 C631 C 0.497(5) 0.008(6) 0.071(7) 0.20(6) Uiso 0.281(9) 1 d PDU A 1 H631 H 0.5372 0.0359 0.0681 0.235 Uiso 0.281(9) 1 calc PR A 1 N631 N 0.422(4) 0.019(4) 0.035(5) 0.18(5) Uiso 0.281(9) 1 d PDU A 1 C632 C 0.361(7) -0.024(10) 0.041(9) 0.10(6) Uiso 0.281(9) 1 d PDU A 1 H63A H 0.3088 -0.0122 0.0149 0.152 Uiso 0.281(9) 1 calc PRU A 1 H63B H 0.3776 -0.0118 0.0971 0.152 Uiso 0.281(9) 1 calc PRU A 1 H63C H 0.3553 -0.0787 0.0137 0.152 Uiso 0.281(9) 1 calc PRU A 1 C633 C 0.398(2) 0.070(3) -0.005(6) 0.10(5) Uiso 0.281(9) 1 d PDU A 1 H63D H 0.3404 0.0686 -0.0231 0.143 Uiso 0.281(9) 1 calc PRU A 1 H63E H 0.4068 0.0546 -0.0508 0.143 Uiso 0.281(9) 1 calc PRU A 1 H63F H 0.4304 0.1222 0.0325 0.143 Uiso 0.281(9) 1 calc PRU A 1 O641 O 0.483(5) 0.646(4) 0.408(5) 0.38(5) Uiso 1 1 d DU . . C641 C 0.463(4) 0.612(4) 0.338(5) 0.37(4) Uiso 1 1 d DU . . H641 H 0.4694 0.6450 0.3137 0.445 Uiso 1 1 calc R . . N641 N 0.434(3) 0.538(4) 0.286(4) 0.27(3) Uiso 1 1 d DU . . C642 C 0.425(5) 0.485(4) 0.321(5) 0.21(4) Uiso 1 1 d DU . . H64A H 0.4010 0.4337 0.2792 0.312 Uiso 1 1 calc RU . . H64B H 0.3908 0.4996 0.3447 0.312 Uiso 1 1 calc RU . . H64C H 0.4790 0.4875 0.3626 0.312 Uiso 1 1 calc RU . . C643 C 0.420(5) 0.508(6) 0.205(4) 0.31(6) Uiso 1 1 d DU . . H64D H 0.3947 0.4535 0.1789 0.471 Uiso 1 1 calc RU . . H64E H 0.4715 0.5170 0.2055 0.471 Uiso 1 1 calc RU . . H64F H 0.3837 0.5339 0.1750 0.471 Uiso 1 1 calc RU . . 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 0.0427(8) 0.0276(10) 0.0347(7) 0.0177(7) 0.0183(6) 0.0103(7) Pt2 0.0414(8) 0.0273(10) 0.0358(8) 0.0169(7) 0.0188(6) 0.0102(7) Pt3 0.0409(8) 0.0261(9) 0.0348(7) 0.0167(7) 0.0183(6) 0.0103(7) Pt4 0.0382(8) 0.0307(10) 0.0359(7) 0.0176(7) 0.0185(6) 0.0080(7) Pt5 0.0383(7) 0.0288(10) 0.0327(7) 0.0161(7) 0.0149(6) 0.0059(7) Pt6 0.0468(8) 0.0286(10) 0.0337(7) 0.0169(7) 0.0197(7) 0.0130(7) Pt7 0.0385(8) 0.0344(10) 0.0380(8) 0.0207(7) 0.0190(6) 0.0109(7) Pt8 0.0366(7) 0.0323(10) 0.0387(8) 0.0219(7) 0.0155(6) 0.0061(7) Pt9 0.0496(9) 0.0295(10) 0.0354(8) 0.0175(7) 0.0203(7) 0.0122(8) Pt10 0.0460(8) 0.0365(11) 0.0387(8) 0.0211(8) 0.0229(7) 0.0141(8) Pt11 0.0429(8) 0.0375(11) 0.0371(8) 0.0165(8) 0.0163(7) 0.0088(8) Pt12 0.0455(8) 0.0355(11) 0.0395(8) 0.0183(8) 0.0194(7) 0.0071(8) Pt13 0.0394(8) 0.0304(10) 0.0405(8) 0.0202(8) 0.0169(7) 0.0075(7) Cd1 0.0490(16) 0.0328(19) 0.0372(14) 0.0175(14) 0.0225(13) 0.0137(14) Cd2 0.0481(16) 0.0314(19) 0.0389(15) 0.0203(14) 0.0222(13) 0.0119(14) Cd3 0.0407(15) 0.0327(19) 0.0400(15) 0.0200(14) 0.0137(12) 0.0053(14) Cd4 0.0415(15) 0.0363(19) 0.0374(14) 0.0213(14) 0.0180(12) 0.0119(14) Cd5 0.0441(15) 0.0323(19) 0.0357(14) 0.0158(14) 0.0206(12) 0.0106(14) Cd6 0.0363(14) 0.039(2) 0.0426(15) 0.0238(15) 0.0155(12) 0.0061(14) Br1 0.106(4) 0.067(4) 0.071(3) 0.042(3) 0.052(3) 0.050(3) Br2 0.063(3) 0.041(3) 0.061(3) 0.028(2) 0.026(2) 0.005(2) Br3 0.088(4) 0.054(4) 0.081(3) 0.021(3) 0.003(3) 0.006(3) Br4 0.047(2) 0.058(3) 0.053(2) 0.027(2) 0.011(2) 0.012(2) Br5 0.068(3) 0.063(4) 0.040(2) 0.025(2) 0.026(2) 0.018(3) Br6 0.062(3) 0.138(6) 0.110(4) 0.062(4) 0.050(3) 0.016(3) Br7 0.029(8) 0.080(17) 0.119(17) 0.059(15) 0.009(9) -0.009(9) C1 0.047(13) 0.058(19) 0.022(12) 0.018(13) 0.007(12) 0.016(14) C2 0.055(15) 0.028(16) 0.055(15) 0.027(13) 0.026(12) 0.008(13) C3 0.073(19) 0.10(3) 0.08(2) 0.06(2) 0.045(15) 0.038(18) C4 0.045(14) 0.027(16) 0.045(12) 0.027(13) 0.017(12) 0.000(12) C5 0.048(10) 0.035(11) 0.046(10) 0.019(8) 0.017(8) 0.004(8) C6 0.054(10) 0.057(11) 0.057(9) 0.024(8) 0.031(7) 0.011(8) C7 0.047(15) 0.026(17) 0.056(15) 0.011(16) 0.022(12) -0.002(14) C8 0.101(13) 0.099(13) 0.097(13) 0.038(8) 0.051(9) 0.024(8) C9 0.099(14) 0.102(14) 0.099(13) 0.046(9) 0.051(9) 0.018(8) C10 0.064(18) 0.08(2) 0.062(16) 0.048(16) 0.035(17) 0.003(17) O1 0.048(12) 0.064(18) 0.020(11) 0.018(12) 0.012(10) 0.010(12) O2 0.058(14) 0.030(15) 0.052(13) 0.027(11) 0.032(11) 0.009(11) O3 0.070(18) 0.10(3) 0.084(19) 0.059(19) 0.053(14) 0.032(17) O4 0.050(13) 0.029(15) 0.040(11) 0.019(12) 0.012(10) 0.000(11) O5 0.056(11) 0.041(12) 0.049(11) 0.008(10) 0.020(10) -0.002(10) O6 0.057(9) 0.058(10) 0.062(9) 0.024(7) 0.030(7) 0.015(7) O7 0.050(14) 0.027(16) 0.066(14) 0.011(15) 0.020(11) -0.007(13) O8 0.104(12) 0.101(13) 0.097(12) 0.040(8) 0.052(9) 0.020(8) O9 0.104(13) 0.105(14) 0.103(13) 0.044(9) 0.048(9) 0.023(8) O10 0.061(17) 0.08(2) 0.066(15) 0.049(15) 0.035(15) 0.007(16) P1 0.039(6) 0.059(9) 0.055(7) 0.028(6) 0.020(5) 0.003(6) C101 0.097(10) 0.166(13) 0.072(9) 0.065(9) 0.041(8) 0.009(11) C102 0.097(10) 0.166(13) 0.072(9) 0.065(9) 0.041(8) 0.009(11) C103 0.097(10) 0.166(13) 0.072(9) 0.065(9) 0.041(8) 0.009(11) C104 0.097(10) 0.166(13) 0.072(9) 0.065(9) 0.041(8) 0.009(11) C105 0.097(10) 0.166(13) 0.072(9) 0.065(9) 0.041(8) 0.009(11) C106 0.097(10) 0.166(13) 0.072(9) 0.065(9) 0.041(8) 0.009(11) C107 0.101(10) 0.040(9) 0.062(8) 0.030(7) 0.046(7) 0.032(8) C108 0.101(10) 0.040(9) 0.062(8) 0.030(7) 0.046(7) 0.032(8) C109 0.101(10) 0.040(9) 0.062(8) 0.030(7) 0.046(7) 0.032(8) C110 0.101(10) 0.040(9) 0.062(8) 0.030(7) 0.046(7) 0.032(8) C111 0.101(10) 0.040(9) 0.062(8) 0.030(7) 0.046(7) 0.032(8) C112 0.101(10) 0.040(9) 0.062(8) 0.030(7) 0.046(7) 0.032(8) C113 0.062(8) 0.044(9) 0.063(8) 0.015(8) 0.036(7) 0.017(8) C114 0.062(8) 0.044(9) 0.063(8) 0.015(8) 0.036(7) 0.017(8) C115 0.062(8) 0.044(9) 0.063(8) 0.015(8) 0.036(7) 0.017(8) C116 0.062(8) 0.044(9) 0.063(8) 0.015(8) 0.036(7) 0.017(8) C117 0.062(8) 0.044(9) 0.063(8) 0.015(8) 0.036(7) 0.017(8) C118 0.062(8) 0.044(9) 0.063(8) 0.015(8) 0.036(7) 0.017(8) C119 0.046(7) 0.056(10) 0.054(8) 0.024(7) 0.019(7) 0.014(7) C120 0.046(7) 0.056(10) 0.054(8) 0.024(7) 0.019(7) 0.014(7) C121 0.046(7) 0.056(10) 0.054(8) 0.024(7) 0.019(7) 0.014(7) C122 0.046(7) 0.056(10) 0.055(8) 0.024(7) 0.019(7) 0.014(7) C123 0.046(7) 0.056(10) 0.055(8) 0.024(7) 0.019(7) 0.014(7) C124 0.046(7) 0.056(10) 0.054(8) 0.024(7) 0.019(7) 0.014(7) P2 0.049(6) 0.054(9) 0.061(7) 0.013(7) 0.027(6) 0.008(6) C201 0.079(10) 0.103(12) 0.063(10) 0.002(9) 0.018(8) 0.052(10) C202 0.079(10) 0.103(12) 0.063(10) 0.002(9) 0.018(8) 0.052(10) C203 0.079(10) 0.103(12) 0.063(10) 0.002(9) 0.018(8) 0.052(10) C204 0.079(10) 0.102(12) 0.063(10) 0.002(9) 0.017(8) 0.052(10) C205 0.079(10) 0.102(12) 0.063(10) 0.002(9) 0.018(8) 0.052(10) C206 0.079(10) 0.103(12) 0.063(10) 0.002(9) 0.018(8) 0.052(10) C207 0.048(8) 0.070(11) 0.060(9) 0.014(8) 0.009(7) 0.012(8) C208 0.048(8) 0.070(11) 0.060(9) 0.014(8) 0.009(7) 0.012(8) C209 0.048(8) 0.070(11) 0.060(9) 0.014(8) 0.009(7) 0.012(8) C210 0.048(8) 0.070(11) 0.060(9) 0.014(8) 0.009(7) 0.012(8) C211 0.048(8) 0.070(11) 0.059(9) 0.014(8) 0.009(7) 0.012(8) C212 0.048(8) 0.070(11) 0.059(9) 0.014(8) 0.009(7) 0.012(8) C213 0.082(10) 0.072(11) 0.104(10) 0.013(9) 0.055(8) 0.006(9) C214 0.082(10) 0.072(11) 0.104(10) 0.013(9) 0.055(8) 0.006(9) C215 0.082(10) 0.072(11) 0.104(10) 0.013(9) 0.055(8) 0.006(9) C216 0.082(10) 0.072(11) 0.104(10) 0.013(9) 0.055(8) 0.006(9) C217 0.082(10) 0.072(11) 0.104(10) 0.013(9) 0.055(8) 0.006(9) C218 0.082(10) 0.072(11) 0.104(10) 0.013(9) 0.055(8) 0.006(9) C219 0.109(11) 0.060(11) 0.078(10) 0.016(9) 0.039(8) 0.008(10) C220 0.109(11) 0.060(11) 0.078(10) 0.015(9) 0.039(8) 0.008(10) C221 0.109(11) 0.060(11) 0.078(10) 0.015(9) 0.039(8) 0.008(10) C222 0.109(11) 0.060(11) 0.078(10) 0.015(9) 0.039(8) 0.008(10) C223 0.109(11) 0.060(11) 0.078(10) 0.015(9) 0.039(8) 0.008(10) C224 0.109(11) 0.060(11) 0.078(10) 0.016(9) 0.039(8) 0.008(10) P3 0.078(8) 0.047(8) 0.056(7) 0.029(6) 0.039(6) 0.017(7) C301 0.091(9) 0.058(10) 0.049(8) 0.030(7) 0.040(7) 0.023(8) C302 0.091(9) 0.058(10) 0.049(8) 0.030(7) 0.040(7) 0.023(8) C303 0.091(9) 0.058(10) 0.049(8) 0.030(7) 0.040(7) 0.023(8) C304 0.091(9) 0.058(10) 0.049(8) 0.030(7) 0.040(7) 0.023(8) C305 0.091(9) 0.058(10) 0.049(8) 0.030(7) 0.039(7) 0.023(8) C306 0.091(9) 0.058(10) 0.049(8) 0.030(7) 0.040(7) 0.023(8) C307 0.071(8) 0.043(9) 0.061(8) 0.038(7) 0.038(7) 0.015(8) C308 0.071(8) 0.043(9) 0.061(8) 0.038(7) 0.038(7) 0.015(8) C309 0.071(8) 0.043(9) 0.061(8) 0.038(7) 0.038(7) 0.015(8) C310 0.071(8) 0.043(9) 0.061(8) 0.038(7) 0.038(7) 0.015(8) C311 0.071(8) 0.043(9) 0.061(8) 0.038(7) 0.038(7) 0.015(8) C312 0.071(8) 0.043(9) 0.061(8) 0.038(7) 0.038(7) 0.015(8) C313 0.064(9) 0.049(10) 0.059(8) 0.025(7) 0.027(7) 0.008(8) C314 0.064(9) 0.049(10) 0.059(8) 0.025(7) 0.027(7) 0.008(8) C315 0.064(9) 0.049(10) 0.059(8) 0.025(7) 0.027(7) 0.008(8) C316 0.064(9) 0.049(10) 0.059(8) 0.025(7) 0.027(7) 0.008(8) C317 0.064(9) 0.049(10) 0.059(8) 0.025(7) 0.027(7) 0.008(8) C318 0.064(9) 0.049(10) 0.059(8) 0.025(7) 0.027(7) 0.008(8) C319 0.080(9) 0.074(10) 0.075(9) 0.046(8) 0.039(8) 0.018(8) C320 0.080(9) 0.074(10) 0.075(9) 0.046(8) 0.039(8) 0.018(8) C321 0.080(9) 0.074(10) 0.075(9) 0.046(8) 0.039(8) 0.018(8) C322 0.080(9) 0.075(10) 0.075(9) 0.046(8) 0.039(8) 0.018(8) C323 0.080(9) 0.074(10) 0.075(9) 0.046(8) 0.039(8) 0.018(8) C324 0.080(9) 0.074(10) 0.075(9) 0.046(8) 0.039(8) 0.018(8) _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 Pt10 2.582(2) . ? Pt1 Pt9 2.583(2) . ? Pt1 Pt3 2.7019(19) 2_766 ? Pt1 Pt3 2.711(2) . ? Pt1 Pt6 2.715(2) . ? Pt1 Pt6 2.716(2) ? ? Pt1 Pt7 2.799(2) . ? Pt1 Pt4 2.808(2) . ? Pt1 Pt2 2.814(2) . ? Pt1 Pt5 2.832(2) . ? Pt1 Cd1 3.102(3) . ? Pt1 Cd5 3.134(3) . ? Pt2 C6 1.83(5) . ? Pt2 Pt6 2.800(2) . ? Pt2 Cd3 2.807(3) . ? Pt2 Pt3 2.822(2) 2_766 ? Pt2 Cd2 2.827(3) . ? Pt2 Cd1 2.835(3) . ? Pt2 Pt13 2.855(2) . ? Pt2 Pt9 2.8766(19) . ? Pt2 Pt11 2.881(2) . ? Pt3 Pt8 2.5741(19) . ? Pt3 Pt13 2.579(2) 2_766 ? Pt3 Pt1 2.7019(19) 2_766 ? Pt3 Pt6 2.713(2) ? ? Pt3 Pt6 2.714(2) . ? Pt3 Pt7 2.801(2) 2_766 ? Pt3 Pt5 2.801(2) . ? Pt3 Pt4 2.8108(19) . ? Pt3 Pt2 2.822(2) 2_766 ? Pt3 Cd4 3.118(3) . ? Pt3 Cd2 3.142(3) 2_766 ? Pt4 C2 1.85(4) . ? Pt4 Cd6 2.802(3) . ? Pt4 Cd2 2.823(4) 2_766 ? Pt4 Cd5 2.839(3) . ? Pt4 Pt8 2.845(2) . ? Pt4 Pt10 2.852(3) . ? Pt4 Pt11 2.885(2) 2_766 ? Pt5 C4 1.77(3) . ? Pt5 Pt6 2.7899(19) . ? Pt5 Cd3 2.794(3) . ? Pt5 Cd4 2.809(3) . ? Pt5 Cd5 2.825(3) . ? Pt5 Pt12 2.882(2) . ? Pt5 Pt8 2.891(2) . ? Pt5 Pt9 2.893(2) . ? Pt6 Pt12 2.581(2) . ? Pt6 Pt11 2.584(2) . ? Pt6 Pt3 2.713(2) 2_766 ? Pt6 Pt1 2.716(2) 2_766 ? Pt6 Pt4 2.8090(19) 2_766 ? Pt6 Pt7 2.830(2) 2_766 ? Pt6 Cd3 3.112(3) . ? Pt6 Cd6 3.137(3) 2_766 ? Pt7 C10 1.71(5) . ? Pt7 Cd1 2.795(3) . ? Pt7 Pt3 2.801(2) 2_766 ? Pt7 Cd6 2.833(3) . ? Pt7 Cd4 2.837(3) 2_766 ? Pt7 Pt12 2.864(2) 2_766 ? Pt7 Pt13 2.870(2) . ? Pt7 Pt10 2.903(2) . ? Pt8 C1 1.79(3) . ? Pt8 Cd2 2.803(3) 2_766 ? Pt8 Cd4 2.807(3) . ? Pt8 Cd5 2.914(3) . ? Pt8 Pt13 3.031(2) 2_766 ? Pt9 C5 1.80(4) . ? Pt9 Cd5 2.798(3) . ? Pt9 Cd1 2.799(3) . ? Pt9 Cd3 2.921(3) . ? Pt9 Pt10 3.019(2) . ? Pt10 C3 1.78(4) . ? Pt10 Cd5 2.811(3) . ? Pt10 Cd1 2.812(3) . ? Pt10 Cd6 2.897(3) . ? Pt11 C8 1.71(7) . ? Pt11 Pt17 2.754(17) . ? Pt11 Cd3 2.830(3) . ? Pt11 Cd6 2.839(4) 2_766 ? Pt11 Pt4 2.885(2) 2_766 ? Pt11 Cd2 2.943(3) . ? Pt11 Pt12 3.016(2) . ? Pt12 C9 1.78(6) . ? Pt12 Pt17 2.750(18) . ? Pt12 Cd6 2.807(3) 2_766 ? Pt12 Cd3 2.856(4) . ? Pt12 Pt7 2.864(2) 2_766 ? Pt12 Cd4 2.987(3) . ? Pt13 C7 1.80(5) . ? Pt13 Pt3 2.579(2) 2_766 ? Pt13 Cd2 2.800(3) . ? Pt13 Cd4 2.819(3) 2_766 ? Pt13 Cd1 2.948(3) . ? Pt13 Pt8 3.031(2) 2_766 ? Cd1 Br1 2.563(6) . ? Cd2 Br2 2.548(5) . ? Cd2 Pt8 2.803(3) 2_766 ? Cd2 Pt4 2.823(3) 2_766 ? Cd2 Pt3 3.142(3) 2_766 ? Cd3 Br3 2.550(6) . ? Cd3 Pt17 3.319(17) . ? Cd4 Br4 2.544(5) . ? Cd4 Pt13 2.819(3) 2_766 ? Cd4 Pt7 2.837(3) 2_766 ? Cd5 Br5 2.552(4) . ? Cd6 Br6 2.538(5) . ? Cd6 Pt12 2.807(3) 2_766 ? Cd6 Pt11 2.839(4) 2_766 ? Pt17 Br7 2.41(2) . ? Pt17 C9 2.49(7) . ? Pt17 C8 2.55(6) . ? C1 O1 1.18(4) . ? C2 O2 1.15(4) . ? C3 O3 1.21(5) . ? C4 O4 1.18(4) . ? C5 O5 1.15(4) . ? C6 O6 1.24(5) . ? C7 O7 1.17(5) . ? C8 O8 1.26(7) . ? C9 O9 1.13(6) . ? C10 O10 1.25(5) . ? P1 C107 1.78(2) . ? P1 C101 1.78(2) . ? P1 C119 1.79(2) . ? P1 C113 1.79(2) . ? C101 C102 1.3900 . ? C101 C106 1.3900 . ? C102 C103 1.3900 . ? C102 H102 0.9500 . ? C103 C104 1.3900 . ? C103 H103 0.9500 . ? C104 C105 1.3900 . ? C104 H104 0.9500 . ? C105 C106 1.3900 . ? C105 H105 0.9500 . ? C106 H106 0.9500 . ? C107 C108 1.3900 . ? C107 C112 1.3900 . ? C108 C109 1.3900 . ? C108 H108 0.9500 . ? C109 C110 1.3900 . ? C109 H109 0.9500 . ? C110 C111 1.3900 . ? C110 H110 0.8800 . ? C111 C112 1.3900 . ? C111 H111 0.9500 . ? C112 H112 0.9500 . ? C113 C114 1.3900 . ? C113 C118 1.3900 . ? C114 C115 1.3900 . ? C114 H114 0.9500 . ? C115 C116 1.3900 . ? C115 H115 0.9500 . ? C116 C117 1.3900 . ? C116 H116 0.9500 . ? C117 C118 1.3900 . ? C117 H117 0.9500 . ? C118 H118 0.9500 . ? C119 C120 1.3900 . ? C119 C124 1.3900 . ? C120 C121 1.3900 . ? C120 H120 0.9500 . ? C121 C122 1.3900 . ? C121 H121 0.9500 . ? C122 C123 1.3900 . ? C122 H122 0.9500 . ? C123 C124 1.3900 . ? C123 H123 0.9500 . ? C124 H124 0.9500 . ? P2 C213 1.75(2) . ? P2 C219 1.76(3) . ? P2 C207 1.77(2) . ? P2 C201 1.79(2) . ? C201 C202 1.3900 . ? C201 C206 1.3900 . ? C202 C203 1.3900 . ? C202 H202 0.9500 . ? C203 C204 1.3900 . ? C203 H203 0.9500 . ? C204 C205 1.3900 . ? C204 H204 0.9500 . ? C205 C206 1.3900 . ? C205 H205 0.8800 . ? C206 H206 0.9500 . ? C207 C208 1.3900 . ? C207 C212 1.3900 . ? C208 C209 1.3900 . ? C208 H208 0.9500 . ? C209 C210 1.3900 . ? C209 H209 0.9500 . ? C210 C211 1.3900 . ? C210 H210 0.9500 . ? C211 C212 1.3900 . ? C211 H211 0.9500 . ? C212 H212 0.9500 . ? C213 C214 1.3900 . ? C213 C218 1.3900 . ? C214 C215 1.3900 . ? C214 H214 0.9500 . ? C215 C216 1.3900 . ? C215 H215 0.9500 . ? C216 C217 1.3900 . ? C216 H216 0.9500 . ? C217 C218 1.3900 . ? C217 H217 0.9500 . ? C218 H218 0.9500 . ? C219 C220 1.3900 . ? C219 C224 1.3900 . ? C220 C221 1.3900 . ? C220 H220 0.9500 . ? C221 C222 1.3900 . ? C221 H221 0.9500 . ? C222 C223 1.3900 . ? C222 H222 0.9500 . ? C223 C224 1.3900 . ? C223 H223 0.9500 . ? C224 H224 0.9500 . ? P3 C307 1.76(2) . ? P3 C319 1.79(2) . ? P3 C313 1.79(2) . ? P3 C301 1.82(2) . ? C301 C302 1.3900 . ? C301 C306 1.3900 . ? C302 C303 1.3900 . ? C302 H302 0.9500 . ? C303 C304 1.3900 . ? C303 H303 0.8800 . ? C304 C305 1.3900 . ? C304 H304 0.9500 . ? C305 C306 1.3900 . ? C305 H305 0.9500 . ? C306 H306 0.9500 . ? C307 C308 1.3900 . ? C307 C312 1.3900 . ? C308 C309 1.3900 . ? C308 H308 0.9500 . ? C309 C310 1.3900 . ? C309 H309 0.9500 . ? C310 C311 1.3900 . ? C310 H310 0.9500 . ? C311 C312 1.3900 . ? C311 H311 0.9500 . ? C312 H312 0.9500 . ? C313 C314 1.3900 . ? C313 C318 1.3900 . ? C314 C315 1.3900 . ? C314 H314 0.9500 . ? C315 C316 1.3900 . ? C315 H315 0.9500 . ? C316 C317 1.3900 . ? C316 H316 0.9500 . ? C317 C318 1.3900 . ? C317 H317 0.9500 . ? C318 H318 0.9500 . ? C319 C320 1.3900 . ? C319 C324 1.3900 . ? C320 C321 1.3900 . ? C320 H320 0.9500 . ? C321 C322 1.3900 . ? C321 H321 0.9500 . ? C322 C323 1.3900 . ? C322 H322 0.8800 . ? C323 C324 1.3900 . ? C323 H323 0.8800 . ? C324 H324 0.9500 . ? O401 C401 1.206(13) . ? C401 N401 1.362(12) . ? C401 H401 0.9500 . ? N401 C403 1.453(12) . ? N401 C402 1.455(13) . ? C402 H40A 0.8800 . ? C402 H40B 0.8800 . ? C402 H40C 0.8800 . ? C403 H40D 0.9800 . ? C403 H40E 0.9800 . ? C403 H40F 0.9800 . ? O501 C501 1.207(13) . ? C501 N501 1.361(13) . ? C501 H501 0.9500 . ? N501 C503 1.449(13) . ? N501 C502 1.455(13) . ? C502 H50A 0.9800 . ? C502 H50B 0.9800 . ? C502 H50C 0.9800 . ? C503 H50D 0.8800 . ? C503 H50E 0.8800 . ? C503 H50F 0.8800 . ? O601 C601 1.211(13) . ? C601 N601 1.364(13) . ? C601 H601 0.9500 . ? N601 C603 1.454(13) . ? N601 C602 1.454(13) . ? C602 H60A 0.9800 . ? C602 H60B 0.9800 . ? C602 H60C 0.9800 . ? C603 H60D 0.8800 . ? C603 H60E 0.8800 . ? C603 H60F 0.8800 . ? O611 C611 1.210(13) . ? C611 N611 1.362(13) . ? C611 H611 0.9500 . ? N611 C613 1.448(13) . ? N611 C612 1.456(13) . ? C612 H61A 0.9800 . ? C612 H61B 0.9800 . ? C612 H61C 0.9800 . ? C613 H61D 0.9800 . ? C613 H61E 0.9800 . ? C613 H61F 0.9800 . ? O621 C621 1.208(13) . ? C621 N621 1.363(13) . ? C621 H621 0.9500 . ? N621 C622 1.453(13) . ? N621 C623 1.453(13) . ? C622 H62A 0.9800 . ? C622 H62B 0.9800 . ? C622 H62C 0.9800 . ? C623 H62D 0.9800 . ? C623 H62E 0.9800 . ? C623 H62F 0.9800 . ? O631 C631 1.208(13) . ? C631 N631 1.364(13) . ? C631 H631 0.9500 . ? N631 C633 1.452(13) . ? N631 C632 1.453(13) . ? C632 H63A 0.9800 . ? C632 H63B 0.9800 . ? C632 H63C 0.9800 . ? C633 H63D 0.9800 . ? C633 H63E 0.9800 . ? C633 H63F 0.9800 . ? O641 C641 1.208(16) . ? C641 N641 1.361(15) . ? C641 H641 0.9500 . ? N641 C643 1.452(15) . ? N641 C642 1.453(15) . ? C642 H64A 0.9800 . ? C642 H64B 0.9800 . ? C642 H64C 0.9800 . ? C643 H64D 0.9800 . ? C643 H64E 0.9800 . ? C643 H64F 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 Pt10 Pt1 Pt9 71.53(6) . . ? Pt10 Pt1 Pt3 126.00(7) . 2_766 ? Pt9 Pt1 Pt3 125.29(7) . 2_766 ? Pt10 Pt1 Pt3 124.37(7) . . ? Pt9 Pt1 Pt3 124.50(7) . . ? Pt3 Pt1 Pt3 89.93(6) 2_766 . ? Pt10 Pt1 Pt6 170.27(8) . . ? Pt9 Pt1 Pt6 98.79(7) . . ? Pt3 Pt1 Pt6 60.11(5) 2_766 . ? Pt3 Pt1 Pt6 60.03(6) . . ? Pt3 Pt1 Pt6 60.12(6) 2_766 ? ? Pt3 Pt1 Pt6 60.00(6) . ? ? Pt6 Pt1 Pt6 90.30(6) . ? ? Pt10 Pt1 Pt7 65.17(6) . . ? Pt9 Pt1 Pt7 113.12(7) . . ? Pt3 Pt1 Pt7 61.18(5) 2_766 . ? Pt3 Pt1 Pt7 121.73(7) . . ? Pt6 Pt1 Pt7 121.27(6) . . ? Pt10 Pt1 Pt4 63.73(6) . . ? Pt9 Pt1 Pt4 112.89(7) . . ? Pt3 Pt1 Pt4 121.22(7) 2_766 . ? Pt3 Pt1 Pt4 61.21(6) . . ? Pt6 Pt1 Pt4 121.22(7) . . ? Pt7 Pt1 Pt4 90.53(6) . . ? Pt10 Pt1 Pt2 113.90(8) . . ? Pt9 Pt1 Pt2 64.24(6) . . ? Pt3 Pt1 Pt2 61.50(5) 2_766 . ? Pt3 Pt1 Pt2 120.83(7) . . ? Pt6 Pt1 Pt2 60.82(5) . . ? Pt7 Pt1 Pt2 89.97(6) . . ? Pt4 Pt1 Pt2 177.02(7) . . ? Pt10 Pt1 Pt5 112.95(6) . . ? Pt9 Pt1 Pt5 64.39(6) . . ? Pt3 Pt1 Pt5 120.46(6) 2_766 . ? Pt3 Pt1 Pt5 60.65(5) . . ? Pt6 Pt1 Pt5 60.34(5) . . ? Pt7 Pt1 Pt5 177.46(8) . . ? Pt4 Pt1 Pt5 90.05(6) . . ? Pt2 Pt1 Pt5 89.32(6) . . ? Pt10 Pt1 Cd1 58.45(7) . . ? Pt9 Pt1 Cd1 58.13(7) . . ? Pt3 Pt1 Cd1 86.27(7) 2_766 . ? Pt3 Pt1 Cd1 176.19(7) . . ? Pt6 Pt1 Cd1 117.66(8) . . ? Pt6 Pt1 Cd1 117.85(8) ? . ? Pt7 Pt1 Cd1 56.25(7) . . ? Pt4 Pt1 Cd1 121.09(8) . . ? Pt2 Pt1 Cd1 57.02(7) . . ? Pt5 Pt1 Cd1 121.43(8) . . ? Pt10 Pt1 Cd5 57.96(6) . . ? Pt9 Pt1 Cd5 57.63(7) . . ? Pt3 Pt1 Cd5 175.10(9) 2_766 . ? Pt3 Pt1 Cd5 85.23(7) . . ? Pt6 Pt1 Cd5 116.44(7) . . ? Pt7 Pt1 Cd5 122.26(7) . . ? Pt4 Pt1 Cd5 56.76(6) . . ? Pt2 Pt1 Cd5 120.63(8) . . ? Pt5 Pt1 Cd5 56.25(6) . . ? Cd1 Pt1 Cd5 98.57(8) . . ? C6 Pt2 Pt6 147.2(12) . . ? C6 Pt2 Cd3 85.6(13) . . ? Pt6 Pt2 Cd3 67.42(8) . . ? C6 Pt2 Pt1 143.8(12) . . ? Pt6 Pt2 Pt1 57.84(6) . . ? Cd3 Pt2 Pt1 89.81(8) . . ? C6 Pt2 Pt3 147.4(13) . 2_766 ? Pt6 Pt2 Pt3 57.71(6) . 2_766 ? Cd3 Pt2 Pt3 124.82(9) . 2_766 ? Pt1 Pt2 Pt3 57.29(5) . 2_766 ? C6 Pt2 Cd2 87.9(12) . . ? Pt6 Pt2 Cd2 89.88(8) . . ? Cd3 Pt2 Cd2 119.94(9) . . ? Pt1 Pt2 Cd2 124.67(9) . . ? Pt3 Pt2 Cd2 67.59(7) 2_766 . ? C6 Pt2 Cd1 84.4(12) . . ? Pt6 Pt2 Cd1 124.26(9) . . ? Cd3 Pt2 Cd1 118.83(9) . . ? Pt1 Pt2 Cd1 66.62(7) . . ? Pt3 Pt2 Cd1 89.39(8) 2_766 . ? Cd2 Pt2 Cd1 119.77(9) . . ? C6 Pt2 Pt13 95.4(13) . . ? Pt6 Pt2 Pt13 111.35(7) . . ? Cd3 Pt2 Pt13 178.56(9) . . ? Pt1 Pt2 Pt13 90.08(6) . . ? Pt3 Pt2 Pt13 54.04(5) 2_766 . ? Cd2 Pt2 Pt13 59.05(7) . . ? Cd1 Pt2 Pt13 62.40(7) . . ? C6 Pt2 Pt9 93.0(12) . . ? Pt6 Pt2 Pt9 90.26(6) . . ? Cd3 Pt2 Pt9 61.84(7) . . ? Pt1 Pt2 Pt9 53.98(5) . . ? Pt3 Pt2 Pt9 110.92(7) 2_766 . ? Cd2 Pt2 Pt9 178.08(8) . . ? Cd1 Pt2 Pt9 58.69(6) . . ? Pt13 Pt2 Pt9 119.15(6) . . ? C6 Pt2 Pt11 96.8(12) . . ? Pt6 Pt2 Pt11 54.08(5) . . ? Cd3 Pt2 Pt11 59.65(7) . . ? Pt1 Pt2 Pt11 111.60(7) . . ? Pt3 Pt2 Pt11 90.48(6) 2_766 . ? Cd2 Pt2 Pt11 62.07(7) . . ? Cd1 Pt2 Pt11 177.89(8) . . ? Pt13 Pt2 Pt11 119.10(6) . . ? Pt9 Pt2 Pt11 119.45(6) . . ? Pt8 Pt3 Pt13 72.04(6) . 2_766 ? Pt8 Pt3 Pt1 170.86(8) . 2_766 ? Pt13 Pt3 Pt1 98.83(6) 2_766 2_766 ? Pt8 Pt3 Pt1 99.04(6) . . ? Pt13 Pt3 Pt1 171.03(7) 2_766 . ? Pt1 Pt3 Pt1 90.07(6) 2_766 . ? Pt1 Pt3 Pt6 60.18(5) 2_766 ? ? Pt1 Pt3 Pt6 60.09(5) . ? ? Pt8 Pt3 Pt6 125.35(7) . . ? Pt13 Pt3 Pt6 125.63(7) 2_766 . ? Pt1 Pt3 Pt6 60.19(5) 2_766 . ? Pt1 Pt3 Pt6 60.06(6) . . ? Pt6 Pt3 Pt6 90.38(6) ? . ? Pt8 Pt3 Pt7 113.71(6) . 2_766 ? Pt13 Pt3 Pt7 64.32(6) 2_766 2_766 ? Pt1 Pt3 Pt7 61.11(5) 2_766 2_766 ? Pt1 Pt3 Pt7 121.79(7) . 2_766 ? Pt6 Pt3 Pt7 61.73(5) . 2_766 ? Pt8 Pt3 Pt5 64.91(6) . . ? Pt13 Pt3 Pt5 113.56(7) 2_766 . ? Pt1 Pt3 Pt5 120.92(7) 2_766 . ? Pt1 Pt3 Pt5 61.82(6) . . ? Pt6 Pt3 Pt5 60.76(6) . . ? Pt7 Pt3 Pt5 89.71(6) 2_766 . ? Pt8 Pt3 Pt4 63.60(5) . . ? Pt13 Pt3 Pt4 112.61(7) 2_766 . ? Pt1 Pt3 Pt4 121.27(6) 2_766 . ? Pt1 Pt3 Pt4 61.10(5) . . ? Pt6 Pt3 Pt4 121.16(7) . . ? Pt7 Pt3 Pt4 176.74(7) 2_766 . ? Pt5 Pt3 Pt4 90.64(6) . . ? Pt8 Pt3 Pt2 112.70(7) . 2_766 ? Pt13 Pt3 Pt2 63.63(6) 2_766 2_766 ? Pt1 Pt3 Pt2 61.21(5) 2_766 2_766 ? Pt1 Pt3 Pt2 120.82(7) . 2_766 ? Pt6 Pt3 Pt2 121.39(6) . 2_766 ? Pt7 Pt3 Pt2 89.77(6) 2_766 2_766 ? Pt5 Pt3 Pt2 177.04(7) . 2_766 ? Pt4 Pt3 Pt2 89.72(6) . 2_766 ? Pt8 Pt3 Cd4 58.16(6) . . ? Pt13 Pt3 Cd4 58.39(7) 2_766 . ? Pt1 Pt3 Cd4 117.90(7) 2_766 . ? Pt1 Pt3 Cd4 118.07(8) . . ? Pt6 Pt3 Cd4 86.43(7) . . ? Pt7 Pt3 Cd4 56.97(6) 2_766 . ? Pt5 Pt3 Cd4 56.35(7) . . ? Pt4 Pt3 Cd4 120.79(7) . . ? Pt2 Pt3 Cd4 121.08(8) 2_766 . ? Pt8 Pt3 Cd2 57.70(6) . 2_766 ? Pt13 Pt3 Cd2 57.60(7) 2_766 2_766 ? Pt1 Pt3 Cd2 117.30(7) 2_766 2_766 ? Pt1 Pt3 Cd2 117.18(8) . 2_766 ? Pt6 Pt3 Cd2 175.54(8) . 2_766 ? Pt7 Pt3 Cd2 120.94(8) 2_766 2_766 ? Pt5 Pt3 Cd2 121.74(7) . 2_766 ? Pt4 Pt3 Cd2 56.30(7) . 2_766 ? Pt2 Pt3 Cd2 56.27(6) 2_766 2_766 ? Cd4 Pt3 Cd2 98.03(8) . 2_766 ? C2 Pt4 Cd6 84.3(12) . . ? C2 Pt4 Pt1 145.3(13) . . ? Cd6 Pt4 Pt1 89.53(8) . . ? C2 Pt4 Pt3 147.5(12) . . ? Cd6 Pt4 Pt3 125.39(7) . . ? Pt1 Pt4 Pt3 57.69(5) . . ? C2 Pt4 Cd2 86.6(13) . 2_766 ? Cd6 Pt4 Cd2 120.00(10) . 2_766 ? Pt1 Pt4 Cd2 125.21(8) . 2_766 ? Pt3 Pt4 Cd2 67.79(7) . 2_766 ? C2 Pt4 Cd5 86.0(12) . . ? Cd6 Pt4 Cd5 119.12(10) . . ? Pt1 Pt4 Cd5 67.42(7) . . ? Pt3 Pt4 Cd5 89.28(7) . . ? Cd2 Pt4 Cd5 119.17(9) 2_766 . ? C2 Pt4 Pt8 96.0(12) . . ? Cd6 Pt4 Pt8 179.17(10) . . ? Pt1 Pt4 Pt8 90.68(6) . . ? Pt3 Pt4 Pt8 54.14(5) . . ? Cd2 Pt4 Pt8 59.26(7) 2_766 . ? Cd5 Pt4 Pt8 61.69(7) . . ? C2 Pt4 Pt10 93.5(13) . . ? Cd6 Pt4 Pt10 61.65(8) . . ? Pt1 Pt4 Pt10 54.27(5) . . ? Pt3 Pt4 Pt10 111.52(7) . . ? Cd2 Pt4 Pt10 178.34(9) 2_766 . ? Cd5 Pt4 Pt10 59.20(7) . . ? Pt8 Pt4 Pt10 119.08(7) . . ? C2 Pt4 Pt11 94.8(12) . 2_766 ? Cd6 Pt4 Pt11 59.88(8) . 2_766 ? Pt1 Pt4 Pt11 111.37(6) . 2_766 ? Pt3 Pt4 Pt11 90.63(6) . 2_766 ? Cd2 Pt4 Pt11 62.06(7) 2_766 2_766 ? Cd5 Pt4 Pt11 178.59(9) . 2_766 ? Pt8 Pt4 Pt11 119.31(7) . 2_766 ? Pt10 Pt4 Pt11 119.57(7) . 2_766 ? C4 Pt5 Pt6 148.4(10) . . ? C4 Pt5 Cd3 88.0(11) . . ? Pt6 Pt5 Cd3 67.73(7) . . ? C4 Pt5 Pt3 144.0(12) . . ? Pt6 Pt5 Pt3 58.08(5) . . ? Cd3 Pt5 Pt3 125.49(8) . . ? C4 Pt5 Cd4 84.4(13) . . ? Pt6 Pt5 Cd4 91.32(7) . . ? Cd3 Pt5 Cd4 121.63(9) . . ? Pt3 Pt5 Cd4 67.55(7) . . ? C4 Pt5 Cd5 83.9(11) . . ? Pt6 Pt5 Cd5 124.85(8) . . ? Cd3 Pt5 Cd5 118.34(10) . . ? Pt3 Pt5 Cd5 89.76(8) . . ? Cd4 Pt5 Cd5 118.16(9) . . ? C4 Pt5 Pt1 145.7(12) . . ? Pt6 Pt5 Pt1 57.74(5) . . ? Cd3 Pt5 Pt1 89.71(7) . . ? Pt3 Pt5 Pt1 57.53(5) . . ? Cd4 Pt5 Pt1 124.96(8) . . ? Cd5 Pt5 Pt1 67.29(7) . . ? C4 Pt5 Pt12 96.8(11) . . ? Pt6 Pt5 Pt12 54.10(5) . . ? Cd3 Pt5 Pt12 60.39(7) . . ? Pt3 Pt5 Pt12 90.40(6) . . ? Cd4 Pt5 Pt12 63.30(7) . . ? Cd5 Pt5 Pt12 178.45(9) . . ? Pt1 Pt5 Pt12 111.55(6) . . ? C4 Pt5 Pt8 92.9(11) . . ? Pt6 Pt5 Pt8 111.59(7) . . ? Cd3 Pt5 Pt8 178.96(8) . . ? Pt3 Pt5 Pt8 53.75(5) . . ? Cd4 Pt5 Pt8 58.99(7) . . ? Cd5 Pt5 Pt8 61.29(7) . . ? Pt1 Pt5 Pt8 89.26(6) . . ? Pt12 Pt5 Pt8 119.96(7) . . ? C4 Pt5 Pt9 96.0(13) . . ? Pt6 Pt5 Pt9 90.12(6) . . ? Cd3 Pt5 Pt9 61.79(7) . . ? Pt3 Pt5 Pt9 110.75(6) . . ? Cd4 Pt5 Pt9 176.58(8) . . ? Cd5 Pt5 Pt9 58.57(7) . . ? Pt1 Pt5 Pt9 53.63(5) . . ? Pt12 Pt5 Pt9 119.96(7) . . ? Pt8 Pt5 Pt9 117.59(6) . . ? Pt12 Pt6 Pt11 71.46(6) . . ? Pt12 Pt6 Pt3 171.06(8) . 2_766 ? Pt11 Pt6 Pt3 99.71(7) . 2_766 ? Pt12 Pt6 Pt3 99.20(7) . . ? Pt11 Pt6 Pt3 170.66(7) . . ? Pt3 Pt6 Pt3 89.62(6) 2_766 . ? Pt12 Pt6 Pt1 126.30(7) . . ? Pt11 Pt6 Pt1 125.48(8) . . ? Pt3 Pt6 Pt1 59.71(5) 2_766 . ? Pt3 Pt6 Pt1 59.91(5) . . ? Pt12 Pt6 Pt1 123.71(8) . 2_766 ? Pt11 Pt6 Pt1 125.06(7) . 2_766 ? Pt3 Pt6 Pt1 59.91(6) 2_766 2_766 ? Pt3 Pt6 Pt1 59.69(6) . 2_766 ? Pt1 Pt6 Pt1 89.70(6) . 2_766 ? Pt12 Pt6 Pt5 64.78(5) . . ? Pt11 Pt6 Pt5 113.25(7) . . ? Pt3 Pt6 Pt5 121.62(6) 2_766 . ? Pt3 Pt6 Pt5 61.16(5) . . ? Pt1 Pt6 Pt5 61.91(5) . . ? Pt1 Pt6 Pt5 120.82(7) 2_766 . ? Pt12 Pt6 Pt2 114.06(7) . . ? Pt11 Pt6 Pt2 64.56(6) . . ? Pt3 Pt6 Pt2 61.56(5) 2_766 . ? Pt3 Pt6 Pt2 121.24(7) . . ? Pt1 Pt6 Pt2 61.34(6) . . ? Pt1 Pt6 Pt2 121.46(7) 2_766 . ? Pt5 Pt6 Pt2 90.47(6) . . ? Pt12 Pt6 Pt4 112.34(6) . 2_766 ? Pt11 Pt6 Pt4 64.52(5) . 2_766 ? Pt3 Pt6 Pt4 61.17(5) 2_766 2_766 ? Pt3 Pt6 Pt4 120.75(7) . 2_766 ? Pt1 Pt6 Pt4 120.87(6) . 2_766 ? Pt1 Pt6 Pt4 61.07(5) 2_766 2_766 ? Pt5 Pt6 Pt4 177.03(7) . 2_766 ? Pt2 Pt6 Pt4 90.21(6) . 2_766 ? Pt12 Pt6 Pt7 63.72(6) . 2_766 ? Pt11 Pt6 Pt7 113.36(7) . 2_766 ? Pt3 Pt6 Pt7 120.49(7) 2_766 2_766 ? Pt3 Pt6 Pt7 60.64(6) . 2_766 ? Pt1 Pt6 Pt7 120.55(7) . 2_766 ? Pt1 Pt6 Pt7 60.58(6) 2_766 2_766 ? Pt5 Pt6 Pt7 89.33(6) . 2_766 ? Pt2 Pt6 Pt7 177.59(7) . 2_766 ? Pt4 Pt6 Pt7 89.88(6) 2_766 2_766 ? Pt12 Pt6 Cd3 59.35(7) . . ? Pt11 Pt6 Cd3 58.71(7) . . ? Pt3 Pt6 Cd3 117.69(8) 2_766 . ? Pt3 Pt6 Cd3 117.08(7) . . ? Pt1 Pt6 Cd3 85.56(7) . . ? Pt1 Pt6 Cd3 175.23(8) 2_766 . ? Pt5 Pt6 Cd3 56.19(7) . . ? Pt2 Pt6 Cd3 56.40(7) . . ? Pt4 Pt6 Cd3 122.09(8) 2_766 . ? Pt7 Pt6 Cd3 121.68(8) 2_766 . ? Pt12 Pt6 Cd6 57.82(6) . 2_766 ? Pt11 Pt6 Cd6 58.55(7) . 2_766 ? Pt3 Pt6 Cd6 116.77(7) 2_766 2_766 ? Pt3 Pt6 Cd6 116.77(8) . 2_766 ? Pt1 Pt6 Cd6 174.27(9) . 2_766 ? Pt1 Pt6 Cd6 84.57(7) 2_766 2_766 ? Pt5 Pt6 Cd6 121.44(7) . 2_766 ? Pt2 Pt6 Cd6 121.86(8) . 2_766 ? Pt4 Pt6 Cd6 55.89(6) 2_766 2_766 ? Pt7 Pt6 Cd6 56.40(7) 2_766 2_766 ? Cd3 Pt6 Cd6 100.17(8) . 2_766 ? C10 Pt7 Cd1 89.2(17) . . ? C10 Pt7 Pt1 147.8(14) . . ? Cd1 Pt7 Pt1 67.37(7) . . ? C10 Pt7 Pt3 148.4(12) . 2_766 ? Cd1 Pt7 Pt3 90.66(8) . 2_766 ? Pt1 Pt7 Pt3 57.70(5) . 2_766 ? C10 Pt7 Cd6 82.6(14) . . ? Cd1 Pt7 Cd6 117.85(9) . . ? Pt1 Pt7 Cd6 89.09(7) . . ? Pt3 Pt7 Cd6 124.60(9) 2_766 . ? C10 Pt7 Cd4 85.7(13) . 2_766 ? Cd1 Pt7 Cd4 120.00(10) . 2_766 ? Pt1 Pt7 Cd4 124.67(8) . 2_766 ? Pt3 Pt7 Cd4 67.17(6) 2_766 2_766 ? Cd6 Pt7 Cd4 120.57(10) . 2_766 ? C10 Pt7 Pt12 91.0(17) . 2_766 ? Cd1 Pt7 Pt12 176.80(8) . 2_766 ? Pt1 Pt7 Pt12 111.12(7) . 2_766 ? Pt3 Pt7 Pt12 90.78(6) 2_766 2_766 ? Cd6 Pt7 Pt12 59.04(7) . 2_766 ? Cd4 Pt7 Pt12 63.20(7) 2_766 2_766 ? C10 Pt7 Pt13 98.7(14) . . ? Cd1 Pt7 Pt13 62.69(7) . . ? Pt1 Pt7 Pt13 90.08(6) . . ? Pt3 Pt7 Pt13 54.09(5) 2_766 . ? Cd6 Pt7 Pt13 178.69(9) . . ? Cd4 Pt7 Pt13 59.20(7) 2_766 . ? Pt12 Pt7 Pt13 120.39(6) 2_766 . ? C10 Pt7 Pt10 95.7(13) . . ? Cd1 Pt7 Pt10 59.11(7) . . ? Pt1 Pt7 Pt10 53.80(5) . . ? Pt3 Pt7 Pt10 111.24(6) 2_766 . ? Cd6 Pt7 Pt10 60.66(7) . . ? Cd4 Pt7 Pt10 178.32(8) 2_766 . ? Pt12 Pt7 Pt10 117.69(7) 2_766 . ? Pt13 Pt7 Pt10 119.53(7) . . ? C1 Pt8 Pt3 176.7(14) . . ? C1 Pt8 Cd2 105.5(13) . 2_766 ? Pt3 Pt8 Cd2 71.37(7) . 2_766 ? C1 Pt8 Cd4 110.2(12) . . ? Pt3 Pt8 Cd4 70.68(7) . . ? Cd2 Pt8 Cd4 114.79(9) 2_766 . ? C1 Pt8 Pt4 117.5(12) . . ? Pt3 Pt8 Pt4 62.25(5) . . ? Cd2 Pt8 Pt4 59.99(7) 2_766 . ? Cd4 Pt8 Pt4 131.70(8) . . ? C1 Pt8 Pt5 122.0(14) . . ? Pt3 Pt8 Pt5 61.34(5) . . ? Cd2 Pt8 Pt5 131.63(8) 2_766 . ? Cd4 Pt8 Pt5 59.05(7) . . ? Pt4 Pt8 Pt5 88.16(6) . . ? C1 Pt8 Cd5 90.1(14) . . ? Pt3 Pt8 Cd5 92.45(8) . . ? Cd2 Pt8 Cd5 117.33(9) 2_766 . ? Cd4 Pt8 Cd5 115.28(10) . . ? Pt4 Pt8 Cd5 59.06(7) . . ? Pt5 Pt8 Cd5 58.24(7) . . ? C1 Pt8 Pt13 123.4(14) . 2_766 ? Pt3 Pt8 Pt13 54.06(5) . 2_766 ? Cd2 Pt8 Pt13 57.21(7) 2_766 2_766 ? Cd4 Pt8 Pt13 57.59(7) . 2_766 ? Pt4 Pt8 Pt13 99.52(6) . 2_766 ? Pt5 Pt8 Pt13 98.96(6) . 2_766 ? Cd5 Pt8 Pt13 146.50(7) . 2_766 ? C5 Pt9 Pt1 175.6(12) . . ? C5 Pt9 Cd5 105.1(12) . . ? Pt1 Pt9 Cd5 71.12(8) . . ? C5 Pt9 Cd1 110.2(12) . . ? Pt1 Pt9 Cd1 70.26(8) . . ? Cd5 Pt9 Cd1 115.26(10) . . ? C5 Pt9 Pt2 122.4(12) . . ? Pt1 Pt9 Pt2 61.78(6) . . ? Cd5 Pt9 Pt2 131.33(8) . . ? Cd1 Pt9 Pt2 59.92(7) . . ? C5 Pt9 Pt5 118.4(12) . . ? Pt1 Pt9 Pt5 61.98(6) . . ? Cd5 Pt9 Pt5 59.50(7) . . ? Cd1 Pt9 Pt5 130.90(8) . . ? Pt2 Pt9 Pt5 86.92(6) . . ? C5 Pt9 Cd3 91.6(12) . . ? Pt1 Pt9 Cd3 92.05(8) . . ? Cd5 Pt9 Cd3 115.05(9) . . ? Cd1 Pt9 Cd3 116.21(9) . . ? Pt2 Pt9 Cd3 57.91(6) . . ? Pt5 Pt9 Cd3 57.43(7) . . ? C5 Pt9 Pt10 122.0(12) . . ? Pt1 Pt9 Pt10 54.21(5) . . ? Cd5 Pt9 Pt10 57.66(7) . . ? Cd1 Pt9 Pt10 57.67(7) . . ? Pt2 Pt9 Pt10 100.24(6) . . ? Pt5 Pt9 Pt10 99.58(7) . . ? Cd3 Pt9 Pt10 146.25(9) . . ? C3 Pt10 Pt1 178.0(17) . . ? C3 Pt10 Cd5 107.8(14) . . ? Pt1 Pt10 Cd5 70.92(7) . . ? C3 Pt10 Cd1 111.9(17) . . ? Pt1 Pt10 Cd1 70.07(7) . . ? Cd5 Pt10 Cd1 114.42(9) . . ? C3 Pt10 Pt4 116.1(18) . . ? Pt1 Pt10 Pt4 62.00(6) . . ? Cd5 Pt10 Pt4 60.17(7) . . ? Cd1 Pt10 Pt4 130.72(8) . . ? C3 Pt10 Cd6 87.1(18) . . ? Pt1 Pt10 Cd6 92.09(8) . . ? Cd5 Pt10 Cd6 116.84(10) . . ? Cd1 Pt10 Cd6 115.16(9) . . ? Pt4 Pt10 Cd6 58.32(7) . . ? C3 Pt10 Pt7 119.9(14) . . ? Pt1 Pt10 Pt7 61.03(5) . . ? Cd5 Pt10 Pt7 130.90(8) . . ? Cd1 Pt10 Pt7 58.52(7) . . ? Pt4 Pt10 Pt7 87.58(6) . . ? Cd6 Pt10 Pt7 58.46(7) . . ? C3 Pt10 Pt9 126.6(18) . . ? Pt1 Pt10 Pt9 54.26(5) . . ? Cd5 Pt10 Pt9 57.23(7) . . ? Cd1 Pt10 Pt9 57.25(7) . . ? Pt4 Pt10 Pt9 99.89(6) . . ? Cd6 Pt10 Pt9 146.34(8) . . ? Pt7 Pt10 Pt9 98.67(6) . . ? C8 Pt11 Pt6 176(2) . . ? C8 Pt11 Pt17 65(2) . . ? Pt6 Pt11 Pt17 110.9(4) . . ? C8 Pt11 Cd3 108.5(19) . . ? Pt6 Pt11 Cd3 70.00(7) . . ? Pt17 Pt11 Cd3 72.9(3) . . ? C8 Pt11 Cd6 107(2) . 2_766 ? Pt6 Pt11 Cd6 70.52(8) . 2_766 ? Pt17 Pt11 Cd6 76.2(4) . 2_766 ? Cd3 Pt11 Cd6 115.46(10) . 2_766 ? C8 Pt11 Pt2 122(2) . . ? Pt6 Pt11 Pt2 61.36(6) . . ? Pt17 Pt11 Pt2 131.1(3) . . ? Cd3 Pt11 Pt2 58.87(7) . . ? Cd6 Pt11 Pt2 130.38(9) 2_766 . ? C8 Pt11 Pt4 120.7(19) . 2_766 ? Pt6 Pt11 Pt4 61.53(6) . 2_766 ? Pt17 Pt11 Pt4 134.4(4) . 2_766 ? Cd3 Pt11 Pt4 130.17(8) . 2_766 ? Cd6 Pt11 Pt4 58.61(7) 2_766 2_766 ? Pt2 Pt11 Pt4 87.13(6) . 2_766 ? C8 Pt11 Cd2 92.7(19) . . ? Pt6 Pt11 Cd2 91.74(8) . . ? Pt17 Pt11 Cd2 157.3(4) . . ? Cd3 Pt11 Cd2 115.31(9) . . ? Cd6 Pt11 Cd2 114.81(9) 2_766 . ? Pt2 Pt11 Cd2 58.06(6) . . ? Pt4 Pt11 Cd2 57.95(7) 2_766 . ? C8 Pt11 Pt12 121.3(19) . . ? Pt6 Pt11 Pt12 54.22(5) . . ? Pt17 Pt11 Pt12 56.7(4) . . ? Cd3 Pt11 Pt12 58.38(7) . . ? Cd6 Pt11 Pt12 57.21(7) 2_766 . ? Pt2 Pt11 Pt12 99.94(6) . . ? Pt4 Pt11 Pt12 98.75(7) 2_766 . ? Cd2 Pt11 Pt12 145.95(8) . . ? C9 Pt12 Pt6 169.8(17) . . ? C9 Pt12 Pt17 62(2) . . ? Pt6 Pt12 Pt17 111.1(4) . . ? C9 Pt12 Cd6 99.2(17) . 2_766 ? Pt6 Pt12 Cd6 71.09(7) . 2_766 ? Pt17 Pt12 Cd6 76.8(4) . 2_766 ? C9 Pt12 Cd3 114(2) . . ? Pt6 Pt12 Cd3 69.62(7) . . ? Pt17 Pt12 Cd3 72.6(4) . . ? Cd6 Pt12 Cd3 115.65(10) 2_766 . ? C9 Pt12 Pt7 116(2) . 2_766 ? Pt6 Pt12 Pt7 62.38(6) . 2_766 ? Pt17 Pt12 Pt7 136.3(4) . 2_766 ? Cd6 Pt12 Pt7 59.93(7) 2_766 2_766 ? Cd3 Pt12 Pt7 130.33(8) . 2_766 ? C9 Pt12 Pt5 129.0(17) . . ? Pt6 Pt12 Pt5 61.13(5) . . ? Pt17 Pt12 Pt5 130.1(4) . . ? Cd6 Pt12 Pt5 130.80(8) 2_766 . ? Cd3 Pt12 Pt5 58.27(7) . . ? Pt7 Pt12 Pt5 86.87(6) 2_766 . ? C9 Pt12 Cd4 96(2) . . ? Pt6 Pt12 Cd4 91.69(7) . . ? Pt17 Pt12 Cd4 156.8(4) . . ? Cd6 Pt12 Cd4 116.35(10) 2_766 . ? Cd3 Pt12 Cd4 113.67(9) . . ? Pt7 Pt12 Cd4 57.96(7) 2_766 . ? Pt5 Pt12 Cd4 57.15(7) . . ? C9 Pt12 Pt11 118.3(19) . . ? Pt6 Pt12 Pt11 54.32(5) . . ? Pt17 Pt12 Pt11 56.9(4) . . ? Cd6 Pt12 Pt11 58.23(7) 2_766 . ? Cd3 Pt12 Pt11 57.55(7) . . ? Pt7 Pt12 Pt11 100.63(6) 2_766 . ? Pt5 Pt12 Pt11 99.10(6) . . ? Cd4 Pt12 Pt11 145.98(8) . . ? C7 Pt13 Pt3 172.8(12) . 2_766 ? C7 Pt13 Cd2 102.0(12) . . ? Pt3 Pt13 Cd2 71.34(8) 2_766 . ? C7 Pt13 Cd4 111.1(12) . 2_766 ? Pt3 Pt13 Cd4 70.41(8) 2_766 2_766 ? Cd2 Pt13 Cd4 114.50(10) . 2_766 ? C7 Pt13 Pt2 117.1(12) . . ? Pt3 Pt13 Pt2 62.33(6) 2_766 . ? Cd2 Pt13 Pt2 59.97(6) . . ? Cd4 Pt13 Pt2 131.57(9) 2_766 . ? C7 Pt13 Pt7 125.5(12) . . ? Pt3 Pt13 Pt7 61.58(6) 2_766 . ? Cd2 Pt13 Pt7 131.67(9) . . ? Cd4 Pt13 Pt7 59.81(7) 2_766 . ? Pt2 Pt13 Pt7 87.75(6) . . ? C7 Pt13 Cd1 93.6(13) . . ? Pt3 Pt13 Cd1 91.86(8) 2_766 . ? Cd2 Pt13 Cd1 116.86(9) . . ? Cd4 Pt13 Cd1 115.48(9) 2_766 . ? Pt2 Pt13 Cd1 58.47(6) . . ? Pt7 Pt13 Cd1 57.41(7) . . ? C7 Pt13 Pt8 120.5(13) . 2_766 ? Pt3 Pt13 Pt8 53.90(5) 2_766 2_766 ? Cd2 Pt13 Pt8 57.29(7) . 2_766 ? Cd4 Pt13 Pt8 57.22(7) 2_766 2_766 ? Pt2 Pt13 Pt8 99.52(6) . 2_766 ? Pt7 Pt13 Pt8 99.41(7) . 2_766 ? Cd1 Pt13 Pt8 145.76(9) . 2_766 ? Br1 Cd1 Pt7 127.14(16) . . ? Br1 Cd1 Pt9 121.41(15) . . ? Pt7 Cd1 Pt9 106.86(11) . . ? Br1 Cd1 Pt10 118.99(15) . . ? Pt7 Cd1 Pt10 62.37(8) . . ? Pt9 Cd1 Pt10 65.08(7) . . ? Br1 Cd1 Pt2 130.62(17) . . ? Pt7 Cd1 Pt2 89.62(9) . . ? Pt9 Cd1 Pt2 61.39(7) . . ? Pt10 Cd1 Pt2 106.48(10) . . ? Br1 Cd1 Pt13 107.90(14) . . ? Pt7 Cd1 Pt13 59.90(7) . . ? Pt9 Cd1 Pt13 118.61(10) . . ? Pt10 Cd1 Pt13 119.97(11) . . ? Pt2 Cd1 Pt13 59.13(6) . . ? Br1 Cd1 Pt1 168.92(14) . . ? Pt7 Cd1 Pt1 56.37(7) . . ? Pt9 Cd1 Pt1 51.60(6) . . ? Pt10 Cd1 Pt1 51.47(7) . . ? Pt2 Cd1 Pt1 56.37(7) . . ? Pt13 Cd1 Pt1 83.03(8) . . ? Br2 Cd2 Pt13 121.26(15) . . ? Br2 Cd2 Pt8 119.28(13) . 2_766 ? Pt13 Cd2 Pt8 65.49(7) . 2_766 ? Br2 Cd2 Pt4 128.05(14) . 2_766 ? Pt13 Cd2 Pt4 105.84(10) . 2_766 ? Pt8 Cd2 Pt4 60.75(8) 2_766 2_766 ? Br2 Cd2 Pt2 130.91(15) . . ? Pt13 Cd2 Pt2 60.98(6) . . ? Pt8 Cd2 Pt2 105.95(10) 2_766 . ? Pt4 Cd2 Pt2 89.37(9) 2_766 . ? Br2 Cd2 Pt11 108.23(13) . . ? Pt13 Cd2 Pt11 118.83(9) . . ? Pt8 Cd2 Pt11 118.74(11) 2_766 . ? Pt4 Cd2 Pt11 59.99(7) 2_766 . ? Pt2 Cd2 Pt11 59.87(6) . . ? Br2 Cd2 Pt3 168.27(14) . 2_766 ? Pt13 Cd2 Pt3 51.05(6) . 2_766 ? Pt8 Cd2 Pt3 50.93(6) 2_766 2_766 ? Pt4 Cd2 Pt3 55.92(7) 2_766 2_766 ? Pt2 Cd2 Pt3 56.14(6) . 2_766 ? Pt11 Cd2 Pt3 83.38(8) . 2_766 ? Br3 Cd3 Pt5 129.62(17) . . ? Br3 Cd3 Pt2 128.31(18) . . ? Pt5 Cd3 Pt2 90.24(9) . . ? Br3 Cd3 Pt11 120.04(18) . . ? Pt5 Cd3 Pt11 105.92(11) . . ? Pt2 Cd3 Pt11 61.47(7) . . ? Br3 Cd3 Pt12 121.10(17) . . ? Pt5 Cd3 Pt12 61.34(8) . . ? Pt2 Cd3 Pt12 105.78(10) . . ? Pt11 Cd3 Pt12 64.07(8) . . ? Br3 Cd3 Pt9 107.25(18) . . ? Pt5 Cd3 Pt9 60.78(7) . . ? Pt2 Cd3 Pt9 60.25(7) . . ? Pt11 Cd3 Pt9 119.68(9) . . ? Pt12 Cd3 Pt9 119.91(11) . . ? Br3 Cd3 Pt6 169.13(19) . . ? Pt5 Cd3 Pt6 56.07(7) . . ? Pt2 Cd3 Pt6 56.19(7) . . ? Pt11 Cd3 Pt6 51.28(6) . . ? Pt12 Cd3 Pt6 51.03(7) . . ? Pt9 Cd3 Pt6 83.60(8) . . ? Br3 Cd3 Pt17 83.0(4) . . ? Pt5 Cd3 Pt17 113.0(4) . . ? Pt2 Cd3 Pt17 113.5(3) . . ? Pt11 Cd3 Pt17 52.5(3) . . ? Pt12 Cd3 Pt17 52.2(3) . . ? Pt9 Cd3 Pt17 169.8(3) . . ? Pt6 Cd3 Pt17 86.2(3) . . ? Br4 Cd4 Pt8 118.20(14) . . ? Br4 Cd4 Pt5 123.42(16) . . ? Pt8 Cd4 Pt5 61.96(7) . . ? Br4 Cd4 Pt13 125.40(16) . 2_766 ? Pt8 Cd4 Pt13 65.19(7) . 2_766 ? Pt5 Cd4 Pt13 106.26(10) . 2_766 ? Br4 Cd4 Pt7 133.69(14) . 2_766 ? Pt8 Cd4 Pt7 105.81(9) . 2_766 ? Pt5 Cd4 Pt7 88.82(8) . 2_766 ? Pt13 Cd4 Pt7 60.99(7) 2_766 2_766 ? Br4 Cd4 Pt12 106.60(14) . . ? Pt8 Cd4 Pt12 119.20(10) . . ? Pt5 Cd4 Pt12 59.54(7) . . ? Pt13 Cd4 Pt12 117.92(9) 2_766 . ? Pt7 Cd4 Pt12 58.85(6) 2_766 . ? Br4 Cd4 Pt3 169.16(14) . . ? Pt8 Cd4 Pt3 51.17(6) . . ? Pt5 Cd4 Pt3 56.10(6) . . ? Pt13 Cd4 Pt3 51.19(6) 2_766 . ? Pt7 Cd4 Pt3 55.87(6) 2_766 . ? Pt12 Cd4 Pt3 82.65(8) . . ? Br5 Cd5 Pt9 115.57(16) . . ? Br5 Cd5 Pt10 125.74(14) . . ? Pt9 Cd5 Pt10 65.12(8) . . ? Br5 Cd5 Pt5 121.40(14) . . ? Pt9 Cd5 Pt5 61.93(7) . . ? Pt10 Cd5 Pt5 106.48(9) . . ? Br5 Cd5 Pt4 136.37(16) . . ? Pt9 Cd5 Pt4 105.75(9) . . ? Pt10 Cd5 Pt4 60.62(7) . . ? Pt5 Cd5 Pt4 89.57(8) . . ? Br5 Cd5 Pt8 107.35(15) . . ? Pt9 Cd5 Pt8 120.00(9) . . ? Pt10 Cd5 Pt8 118.11(10) . . ? Pt5 Cd5 Pt8 60.46(7) . . ? Pt4 Cd5 Pt8 59.25(7) . . ? Br5 Cd5 Pt1 166.75(17) . . ? Pt9 Cd5 Pt1 51.25(6) . . ? Pt10 Cd5 Pt1 51.12(6) . . ? Pt5 Cd5 Pt1 56.46(6) . . ? Pt4 Cd5 Pt1 55.82(6) . . ? Pt8 Cd5 Pt1 83.24(8) . . ? Br6 Cd6 Pt4 132.50(17) . . ? Br6 Cd6 Pt12 115.53(16) . 2_766 ? Pt4 Cd6 Pt12 105.98(10) . 2_766 ? Br6 Cd6 Pt7 129.6(2) . . ? Pt4 Cd6 Pt7 89.97(8) . . ? Pt12 Cd6 Pt7 61.03(7) 2_766 . ? Br6 Cd6 Pt11 117.3(2) . 2_766 ? Pt4 Cd6 Pt11 61.51(7) . 2_766 ? Pt12 Cd6 Pt11 64.56(8) 2_766 2_766 ? Pt7 Cd6 Pt11 105.87(10) . 2_766 ? Br6 Cd6 Pt10 112.39(19) . . ? Pt4 Cd6 Pt10 60.03(7) . . ? Pt12 Cd6 Pt10 119.81(10) 2_766 . ? Pt7 Cd6 Pt10 60.87(7) . . ? Pt11 Cd6 Pt10 119.57(10) 2_766 . ? Br7 Pt17 C9 106.5(16) . . ? Br7 Pt17 C8 109.7(17) . . ? C9 Pt17 C8 141(2) . . ? Br7 Pt17 Pt12 145.9(9) . . ? C9 Pt17 Pt12 39.4(14) . . ? C8 Pt17 Pt12 103.8(16) . . ? Br7 Pt17 Pt11 147.0(10) . . ? C9 Pt17 Pt11 105.1(15) . . ? C8 Pt17 Pt11 37.4(15) . . ? Pt12 Pt17 Pt11 66.4(4) . . ? Br7 Pt17 Cd3 138.3(9) . . ? C9 Pt17 Cd3 83.7(14) . . ? C8 Pt17 Cd3 78.0(14) . . ? Pt12 Pt17 Cd3 55.2(3) . . ? Pt11 Pt17 Cd3 54.6(3) . . ? O1 C1 Pt8 175(4) . . ? O2 C2 Pt4 174(4) . . ? O3 C3 Pt10 170(5) . . ? O4 C4 Pt5 176(3) . . ? O5 C5 Pt9 174(4) . . ? O6 C6 Pt2 171(4) . . ? O7 C7 Pt13 172(4) . . ? O8 C8 Pt11 170(5) . . ? O8 C8 Pt17 112(4) . . ? Pt11 C8 Pt17 78(2) . . ? O9 C9 Pt12 169(6) . . ? O9 C9 Pt17 111(5) . . ? Pt12 C9 Pt17 78(2) . . ? O10 C10 Pt7 169(4) . . ? C107 P1 C101 108.6(15) . . ? C107 P1 C119 111.5(14) . . ? C101 P1 C119 109.1(16) . . ? C107 P1 C113 108.8(14) . . ? C101 P1 C113 110.3(17) . . ? C119 P1 C113 108.5(14) . . ? C102 C101 C106 120.0 . . ? C102 C101 P1 121(2) . . ? C106 C101 P1 119(2) . . ? C103 C102 C101 120.0 . . ? C103 C102 H102 120.0 . . ? C101 C102 H102 120.0 . . ? C102 C103 C104 120.0 . . ? C102 C103 H103 120.0 . . ? C104 C103 H103 120.0 . . ? C105 C104 C103 120.0 . . ? C105 C104 H104 120.0 . . ? C103 C104 H104 120.0 . . ? C106 C105 C104 120.0 . . ? C106 C105 H105 120.0 . . ? C104 C105 H105 120.0 . . ? C105 C106 C101 120.0 . . ? C105 C106 H106 120.0 . . ? C101 C106 H106 120.0 . . ? C108 C107 C112 120.0 . . ? C108 C107 P1 121.8(16) . . ? C112 C107 P1 118.2(16) . . ? C109 C108 C107 120.0 . . ? C109 C108 H108 120.0 . . ? C107 C108 H108 120.0 . . ? C108 C109 C110 120.0 . . ? C108 C109 H109 120.0 . . ? C110 C109 H109 120.0 . . ? C109 C110 C111 120.0 . . ? C109 C110 H110 120.0 . . ? C111 C110 H110 120.0 . . ? C112 C111 C110 120.0 . . ? C112 C111 H111 120.0 . . ? C110 C111 H111 120.0 . . ? C111 C112 C107 120.0 . . ? C111 C112 H112 120.0 . . ? C107 C112 H112 120.0 . . ? C114 C113 C118 120.0 . . ? C114 C113 P1 123.6(16) . . ? C118 C113 P1 116.4(16) . . ? C115 C114 C113 120.0 . . ? C115 C114 H114 120.0 . . ? C113 C114 H114 120.0 . . ? C116 C115 C114 120.0 . . ? C116 C115 H115 120.0 . . ? C114 C115 H115 120.0 . . ? C115 C116 C117 120.0 . . ? C115 C116 H116 120.0 . . ? C117 C116 H116 120.0 . . ? C118 C117 C116 120.0 . . ? C118 C117 H117 120.0 . . ? C116 C117 H117 120.0 . . ? C117 C118 C113 120.0 . . ? C117 C118 H118 120.0 . . ? C113 C118 H118 120.0 . . ? C120 C119 C124 120.0 . . ? C120 C119 P1 119.7(14) . . ? C124 C119 P1 120.1(14) . . ? C121 C120 C119 120.0 . . ? C121 C120 H120 120.0 . . ? C119 C120 H120 120.0 . . ? C120 C121 C122 120.0 . . ? C120 C121 H121 120.0 . . ? C122 C121 H121 120.0 . . ? C123 C122 C121 120.0 . . ? C123 C122 H122 120.0 . . ? C121 C122 H122 120.0 . . ? C122 C123 C124 120.0 . . ? C122 C123 H123 120.0 . . ? C124 C123 H123 120.0 . . ? C123 C124 C119 120.0 . . ? C123 C124 H124 120.0 . . ? C119 C124 H124 120.0 . . ? C213 P2 C219 109.8(19) . . ? C213 P2 C207 115.1(19) . . ? C219 P2 C207 108.2(17) . . ? C213 P2 C201 104.5(18) . . ? C219 P2 C201 106.5(19) . . ? C207 P2 C201 112.4(15) . . ? C202 C201 C206 120.0 . . ? C202 C201 P2 118(2) . . ? C206 C201 P2 122(2) . . ? C201 C202 C203 120.0 . . ? C201 C202 H202 120.0 . . ? C203 C202 H202 120.0 . . ? C202 C203 C204 120.0 . . ? C202 C203 H203 120.0 . . ? C204 C203 H203 120.0 . . ? C205 C204 C203 120.0 . . ? C205 C204 H204 120.0 . . ? C203 C204 H204 120.0 . . ? C206 C205 C204 120.0 . . ? C206 C205 H205 120.0 . . ? C204 C205 H205 120.0 . . ? C205 C206 C201 120.0 . . ? C205 C206 H206 120.0 . . ? C201 C206 H206 120.0 . . ? C208 C207 C212 120.0 . . ? C208 C207 P2 120.0(16) . . ? C212 C207 P2 120.0(16) . . ? C209 C208 C207 120.0 . . ? C209 C208 H208 120.0 . . ? C207 C208 H208 120.0 . . ? C208 C209 C210 120.0 . . ? C208 C209 H209 120.0 . . ? C210 C209 H209 120.0 . . ? C211 C210 C209 120.0 . . ? C211 C210 H210 120.0 . . ? C209 C210 H210 120.0 . . ? C210 C211 C212 120.0 . . ? C210 C211 H211 120.0 . . ? C212 C211 H211 120.0 . . ? C211 C212 C207 120.0 . . ? C211 C212 H212 120.0 . . ? C207 C212 H212 120.0 . . ? C214 C213 C218 120.0 . . ? C214 C213 P2 121(2) . . ? C218 C213 P2 119(2) . . ? C213 C214 C215 120.0 . . ? C213 C214 H214 120.0 . . ? C215 C214 H214 120.0 . . ? C216 C215 C214 120.0 . . ? C216 C215 H215 120.0 . . ? C214 C215 H215 120.0 . . ? C217 C216 C215 120.0 . . ? C217 C216 H216 120.0 . . ? C215 C216 H216 120.0 . . ? C216 C217 C218 120.0 . . ? C216 C217 H217 120.0 . . ? C218 C217 H217 120.0 . . ? C217 C218 C213 120.0 . . ? C217 C218 H218 120.0 . . ? C213 C218 H218 120.0 . . ? C220 C219 C224 120.0 . . ? C220 C219 P2 116(2) . . ? C224 C219 P2 124(2) . . ? C221 C220 C219 120.0 . . ? C221 C220 H220 120.0 . . ? C219 C220 H220 120.0 . . ? C220 C221 C222 120.0 . . ? C220 C221 H221 120.0 . . ? C222 C221 H221 120.0 . . ? C223 C222 C221 120.0 . . ? C223 C222 H222 120.0 . . ? C221 C222 H222 120.0 . . ? C222 C223 C224 120.0 . . ? C222 C223 H223 120.0 . . ? C224 C223 H223 120.0 . . ? C223 C224 C219 120.0 . . ? C223 C224 H224 120.0 . . ? C219 C224 H224 120.0 . . ? C307 P3 C319 109.7(14) . . ? C307 P3 C313 110.8(14) . . ? C319 P3 C313 105.6(15) . . ? C307 P3 C301 108.4(14) . . ? C319 P3 C301 113.2(16) . . ? C313 P3 C301 109.1(14) . . ? C302 C301 C306 120.0 . . ? C302 C301 P3 120.4(18) . . ? C306 C301 P3 119.6(18) . . ? C301 C302 C303 120.0 . . ? C301 C302 H302 120.0 . . ? C303 C302 H302 120.0 . . ? C304 C303 C302 120.0 . . ? C304 C303 H303 120.0 . . ? C302 C303 H303 120.0 . . ? C303 C304 C305 120.0 . . ? C303 C304 H304 120.0 . . ? C305 C304 H304 120.0 . . ? C306 C305 C304 120.0 . . ? C306 C305 H305 120.0 . . ? C304 C305 H305 120.0 . . ? C305 C306 C301 120.0 . . ? C305 C306 H306 120.0 . . ? C301 C306 H306 120.0 . . ? C308 C307 C312 120.0 . . ? C308 C307 P3 121.0(15) . . ? C312 C307 P3 119.0(15) . . ? C309 C308 C307 120.0 . . ? C309 C308 H308 120.0 . . ? C307 C308 H308 120.0 . . ? C310 C309 C308 120.0 . . ? C310 C309 H309 120.0 . . ? C308 C309 H309 120.0 . . ? C309 C310 C311 120.0 . . ? C309 C310 H310 120.0 . . ? C311 C310 H310 120.0 . . ? C312 C311 C310 120.0 . . ? C312 C311 H311 120.0 . . ? C310 C311 H311 120.0 . . ? C311 C312 C307 120.0 . . ? C311 C312 H312 120.0 . . ? C307 C312 H312 120.0 . . ? C314 C313 C318 120.0 . . ? C314 C313 P3 118.7(16) . . ? C318 C313 P3 121.2(16) . . ? C315 C314 C313 120.0 . . ? C315 C314 H314 120.0 . . ? C313 C314 H314 120.0 . . ? C314 C315 C316 120.0 . . ? C314 C315 H315 120.0 . . ? C316 C315 H315 120.0 . . ? C317 C316 C315 120.0 . . ? C317 C316 H316 120.0 . . ? C315 C316 H316 120.0 . . ? C318 C317 C316 120.0 . . ? C318 C317 H317 120.0 . . ? C316 C317 H317 120.0 . . ? C317 C318 C313 120.0 . . ? C317 C318 H318 120.0 . . ? C313 C318 H318 120.0 . . ? C320 C319 C324 120.0 . . ? C320 C319 P3 118.2(17) . . ? C324 C319 P3 121.3(17) . . ? C321 C320 C319 120.0 . . ? C321 C320 H320 120.0 . . ? C319 C320 H320 120.0 . . ? C320 C321 C322 120.0 . . ? C320 C321 H321 120.0 . . ? C322 C321 H321 120.0 . . ? C323 C322 C321 120.0 . . ? C323 C322 H322 120.0 . . ? C321 C322 H322 120.0 . . ? C324 C323 C322 120.0 . . ? C324 C323 H323 120.0 . . ? C322 C323 H323 120.0 . . ? C323 C324 C319 120.0 . . ? C323 C324 H324 120.0 . . ? C319 C324 H324 120.0 . . ? O401 C401 N401 134(4) . . ? O401 C401 H401 113.2 . . ? N401 C401 H401 113.2 . . ? C401 N401 C403 126(3) . . ? C401 N401 C402 114(3) . . ? C403 N401 C402 120(3) . . ? N401 C402 H40A 109.5 . . ? N401 C402 H40B 109.5 . . ? H40A C402 H40B 109.5 . . ? N401 C402 H40C 109.5 . . ? H40A C402 H40C 109.5 . . ? H40B C402 H40C 109.5 . . ? N401 C403 H40D 109.5 . . ? N401 C403 H40E 109.5 . . ? H40D C403 H40E 109.5 . . ? N401 C403 H40F 109.5 . . ? H40D C403 H40F 109.5 . . ? H40E C403 H40F 109.5 . . ? O501 C501 N501 127(4) . . ? O501 C501 H501 116.7 . . ? N501 C501 H501 116.7 . . ? C501 N501 C503 126(3) . . ? C501 N501 C502 113(3) . . ? C503 N501 C502 121(3) . . ? N501 C502 H50A 109.5 . . ? N501 C502 H50B 109.5 . . ? H50A C502 H50B 109.5 . . ? N501 C502 H50C 109.5 . . ? H50A C502 H50C 109.5 . . ? H50B C502 H50C 109.5 . . ? N501 C503 H50D 109.5 . . ? N501 C503 H50E 109.5 . . ? H50D C503 H50E 109.5 . . ? N501 C503 H50F 109.5 . . ? H50D C503 H50F 109.5 . . ? H50E C503 H50F 109.5 . . ? O601 C601 N601 131(4) . . ? O601 C601 H601 114.5 . . ? N601 C601 H601 114.5 . . ? C601 N601 C603 127(3) . . ? C601 N601 C602 114(3) . . ? C603 N601 C602 118(3) . . ? N601 C602 H60A 109.5 . . ? N601 C602 H60B 109.5 . . ? H60A C602 H60B 109.5 . . ? N601 C602 H60C 109.5 . . ? H60A C602 H60C 109.5 . . ? H60B C602 H60C 109.5 . . ? N601 C603 H60D 109.5 . . ? N601 C603 H60E 109.5 . . ? H60D C603 H60E 109.5 . . ? N601 C603 H60F 109.5 . . ? H60D C603 H60F 109.5 . . ? H60E C603 H60F 109.5 . . ? O611 C611 N611 127(4) . . ? O611 C611 H611 116.3 . . ? N611 C611 H611 116.3 . . ? C611 N611 C613 128(3) . . ? C611 N611 C612 113(3) . . ? C613 N611 C612 119(3) . . ? N611 C612 H61A 109.5 . . ? N611 C612 H61B 109.5 . . ? H61A C612 H61B 109.5 . . ? N611 C612 H61C 109.5 . . ? H61A C612 H61C 109.5 . . ? H61B C612 H61C 109.5 . . ? N611 C613 H61D 109.5 . . ? N611 C613 H61E 109.5 . . ? H61D C613 H61E 109.5 . . ? N611 C613 H61F 109.5 . . ? H61D C613 H61F 109.5 . . ? H61E C613 H61F 109.5 . . ? O621 C621 N621 132(4) . . ? O621 C621 H621 113.9 . . ? N621 C621 H621 113.9 . . ? C621 N621 C622 115(3) . . ? C621 N621 C623 127(3) . . ? C622 N621 C623 118(3) . . ? N621 C622 H62A 109.5 . . ? N621 C622 H62B 109.5 . . ? H62A C622 H62B 109.5 . . ? N621 C622 H62C 109.5 . . ? H62A C622 H62C 109.5 . . ? H62B C622 H62C 109.5 . . ? N621 C623 H62D 109.5 . . ? N621 C623 H62E 109.5 . . ? H62D C623 H62E 109.5 . . ? N621 C623 H62F 109.5 . . ? H62D C623 H62F 109.5 . . ? H62E C623 H62F 109.5 . . ? O631 C631 N631 131(5) . . ? O631 C631 H631 114.6 . . ? N631 C631 H631 114.6 . . ? C631 N631 C633 127(3) . . ? C631 N631 C632 114(3) . . ? C633 N631 C632 119(3) . . ? N631 C632 H63A 109.5 . . ? N631 C632 H63B 109.5 . . ? H63A C632 H63B 109.5 . . ? N631 C632 H63C 109.5 . . ? H63A C632 H63C 109.5 . . ? H63B C632 H63C 109.5 . . ? N631 C633 H63D 109.5 . . ? N631 C633 H63E 109.5 . . ? H63D C633 H63E 109.5 . . ? N631 C633 H63F 109.5 . . ? H63D C633 H63F 109.5 . . ? H63E C633 H63F 109.5 . . ? O641 C641 N641 134(5) . . ? O641 C641 H641 113.0 . . ? N641 C641 H641 113.0 . . ? C641 N641 C643 125(3) . . ? C641 N641 C642 115(3) . . ? C643 N641 C642 119(3) . . ? N641 C642 H64A 109.5 . . ? N641 C642 H64B 109.5 . . ? H64A C642 H64B 109.5 . . ? N641 C642 H64C 109.5 . . ? H64A C642 H64C 109.5 . . ? H64B C642 H64C 109.5 . . ? N641 C643 H64D 109.5 . . ? N641 C643 H64E 109.5 . . ? H64D C643 H64E 109.5 . . ? N641 C643 H64F 109.5 . . ? H64D C643 H64F 109.5 . . ? H64E C643 H64F 109.5 . . ? _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 25.03 _diffrn_measured_fraction_theta_full 0.994 _refine_diff_density_max 4.396 _refine_diff_density_min -5.209 _refine_diff_density_rms 0.513