# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2005 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 #============================================================================= _audit_creation_method SHELXL _publ_contact_author_name 'ProfD Lars Wesemann' _publ_contact_author_address ; Anorganische Chemie Universitat Tubingen Auf der Morgenstelle 18 Tübingen 72076 GERMANY ; _publ_contact_author_phone ? _publ_contact_author_fax '+49 7071 295306' _publ_contact_author_email lars.wesemann@uni-tuebingen.de _publ_requested_category ? _publ_requested_coeditor_name ? # TITEL AND AUTHOR LIST _publ_section_title ; Formation of Novel Anionic Gold-Tin Cluster Compounds ; loop_ _publ_author_name _publ_author_address S.Hagen ; Institut fur Anorganische Chemie der Universitat Tubingen Auf der Morgenstelle 18 D-72076 Tubingen Germany ; L.Wesemann ; Institut fur Anorganische Chemie der Universitat Tubingen Auf der Morgenstelle 18 D-72076 Tubingen Germany ; I.Pantenburg ; Institut fur Anorganische Chemie Universitat zu Koln Greinstrase 6 D-50939 Koln Germany ; data_lwsh45 _database_code_depnum_ccdc_archive 'CCDC 253768' _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C55 H164 Au3 B33 Cl2 N3 P3 Sn3' _chemical_formula_weight 2335.40 _chemical_melting_point ? _chemical_compound_source ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 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' Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 15.6847(14) _cell_length_b 16.7136(14) _cell_length_c 21.813(2) _cell_angle_alpha 100.469(7) _cell_angle_beta 97.728(7) _cell_angle_gamma 116.274(6) _cell_volume 4890.1(7) _cell_formula_units_Z 2 _cell_measurement_temperature 120(2) _cell_measurement_reflns_used 35860 _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description polyhedron _exptl_crystal_colour yellow _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.586 _exptl_crystal_density_method ? _exptl_crystal_F_000 2292 _exptl_absorpt_coefficient_mu 5.375 _exptl_absorpt_correction_type numerical _exptl_absorpt_correction_T_min 0.1831 _exptl_absorpt_correction_T_max 0.5390 _exptl_absorpt_process_details ; The absorption correction (X-RED; Stoe & Cie, 2001) was performed after optimizing the crystal shape using X-SHAPE (Stoe & Cie, 1999). ; _diffrn_ambient_temperature 120(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 'IPDS II (Stoe & Cie)' _diffrn_measurement_method '\w and \f scans' _diffrn_standards_number 'not measured' _diffrn_standards_interval_count 'not measured' _diffrn_standards_interval_time 'not measured' _diffrn_standards_decay_% 'not measured' _diffrn_reflns_number 61516 _diffrn_reflns_av_R_equivalents 0.0971 _diffrn_reflns_av_sigmaI/netI 0.1100 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 1.41 _diffrn_reflns_theta_max 26.12 _reflns_number_total 18924 _reflns_number_observed 11114 _reflns_observed_criterion >2sigma(I) _computing_data_collection 'X-Area (Stoe & Cie, 2001)' _computing_cell_refinement 'X-Area (Stoe & Cie, 2001)' _computing_data_reduction 'X-Area (Stoe & Cie, 2001)' _computing_structure_solution 'SIR92 (Altomare et al., 1997)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics 'DIAMOND (Brandenburg, 2001)' _computing_publication_material 'SHELXL-93 (Sheldrick, 1993)' _refine_special_details ; Refinement on F^2^ for ALL reflections except for 25 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w=1/[\s^2^(Fo^2^)+(0.0348P)^2^] 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 SHELXL _refine_ls_extinction_coef 0.00017(2) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 18899 _refine_ls_number_parameters 923 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0850 _refine_ls_R_factor_obs 0.0412 _refine_ls_wR_factor_all 0.0885 _refine_ls_wR_factor_obs 0.0801 _refine_ls_goodness_of_fit_all 0.812 _refine_ls_goodness_of_fit_obs 0.975 _refine_ls_restrained_S_all 0.813 _refine_ls_restrained_S_obs 0.975 _refine_ls_shift/esd_max 0.007 _refine_ls_shift/esd_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Au1 Au 0.32952(2) 0.50297(2) 0.31653(2) 0.02582(8) Uani 1 d . . Au2 Au 0.15025(2) 0.45428(2) 0.25928(2) 0.02885(8) Uani 1 d . . Au3 Au 0.22935(2) 0.56665(2) 0.39135(2) 0.03218(9) Uani 1 d . . Sn1 Sn 0.26142(4) 0.39321(4) 0.19279(3) 0.03094(14) Uani 1 d . . B101 B 0.1418(9) 0.2315(7) 0.3393(6) 0.049(3) Uani 1 d . . H101 H 0.1608(9) 0.2209(7) 0.2928(6) 0.058 Uiso 1 calc R . B102 B 0.0346(8) 0.2511(7) 0.3493(6) 0.046(3) Uani 1 d . . H102 H -0.0155(8) 0.2521(7) 0.3094(6) 0.055 Uiso 1 calc R . B103 B 0.2359(8) 0.2866(7) 0.4176(6) 0.048(3) Uani 1 d . . H103 H 0.3144(8) 0.3108(7) 0.4211(6) 0.057 Uiso 1 calc R . B104 B 0.0676(7) 0.3229(7) 0.4355(5) 0.039(3) Uani 1 d . . H104 H 0.0396(7) 0.3713(7) 0.4504(5) 0.047 Uiso 1 calc R . B105 B 0.1879(8) 0.3432(7) 0.4758(5) 0.043(3) Uani 1 d . . H105 H 0.2368(8) 0.4044(7) 0.5164(5) 0.051 Uiso 1 calc R . B106 B 0.0783(9) 0.2533(7) 0.4845(6) 0.048(3) Uani 1 d . . H106 H 0.0564(9) 0.2576(7) 0.5303(6) 0.058 Uiso 1 calc R . B107 B 0.1788(8) 0.2349(7) 0.4746(5) 0.047(3) Uani 1 d . . H107 H 0.2233(8) 0.2287(7) 0.5151(5) 0.056 Uiso 1 calc R . B108 B -0.0088(7) 0.2016(7) 0.4113(5) 0.042(3) Uani 1 d . . H108 H -0.0872(7) 0.1730(7) 0.4102(5) 0.050 Uiso 1 calc R . B109 B 0.1528(7) 0.1681(7) 0.3948(5) 0.039(3) Uani 1 d . . H109 H 0.1795(7) 0.1179(7) 0.3829(5) 0.047 Uiso 1 calc R . B110 B 0.0333(8) 0.1473(7) 0.3539(5) 0.044(3) Uani 1 d . . H110 H -0.0172(8) 0.0838(7) 0.3155(5) 0.053 Uiso 1 calc R . B111 B 0.0593(6) 0.1479(6) 0.4364(5) 0.034(2) Uani 1 d . . H111 H 0.0256(6) 0.0834(6) 0.4511(5) 0.041 Uiso 1 calc R . Sn2 Sn 0.30009(4) 0.65768(4) 0.30239(3) 0.03567(15) Uani 1 d . . B201 B 0.3310(8) 0.7011(7) 0.2089(5) 0.038(2) Uani 1 d . . H201 H 0.3122(8) 0.6406(7) 0.1691(5) 0.046 Uiso 1 calc R . B202 B 0.2347(7) 0.7265(7) 0.2393(5) 0.038(2) Uani 1 d . . H202 H 0.1553(7) 0.6824(7) 0.2192(5) 0.046 Uiso 1 calc R . B203 B 0.4434(8) 0.7540(6) 0.2773(6) 0.045(3) Uani 1 d . . H203 H 0.4959(8) 0.7271(6) 0.2809(6) 0.054 Uiso 1 calc R . B204 B 0.2895(7) 0.7949(6) 0.3260(5) 0.035(2) Uani 1 d . . H204 H 0.2450(7) 0.7938(6) 0.3611(5) 0.042 Uiso 1 calc R . B205 B 0.4172(7) 0.8120(6) 0.3494(5) 0.035(2) Uani 1 d . . H205 H 0.4531(7) 0.8218(6) 0.3991(5) 0.042 Uiso 1 calc R . B206 B 0.3929(8) 0.8996(7) 0.3277(6) 0.045(3) Uani 1 d . . H206 H 0.4134(8) 0.9643(7) 0.3639(6) 0.054 Uiso 1 calc R . B207 B 0.4830(7) 0.8742(6) 0.2998(5) 0.036(2) Uani 1 d . . H207 H 0.5618(7) 0.9227(6) 0.3190(5) 0.043 Uiso 1 calc R . B208 B 0.2860(7) 0.8461(7) 0.2632(5) 0.041(3) Uani 1 d . . H208 H 0.2366(7) 0.8764(7) 0.2585(5) 0.050 Uiso 1 calc R . B209 B 0.4326(7) 0.8095(6) 0.2176(5) 0.035(2) Uani 1 d . . H209 H 0.4793(7) 0.8165(6) 0.1833(5) 0.042 Uiso 1 calc R . B210 B 0.3105(8) 0.7924(7) 0.1948(5) 0.041(2) Uani 1 d . . H210 H 0.2777(8) 0.7878(7) 0.1455(5) 0.049 Uiso 1 calc R . B211 B 0.4043(7) 0.8987(7) 0.2471(5) 0.038(2) Uani 1 d . . H211 H 0.4319(7) 0.9628(7) 0.2316(5) 0.046 Uiso 1 calc R . Sn3 Sn 0.18527(4) 0.38587(4) 0.37944(3) 0.03720(15) Uani 1 d . . B301 B 0.3744(7) 0.4231(7) 0.1300(5) 0.038(2) Uani 1 d . . H301 H 0.4340(7) 0.4949(7) 0.1495(5) 0.045 Uiso 1 calc R . B302 B 0.3609(7) 0.3281(7) 0.1676(5) 0.037(2) Uani 1 d . . H302 H 0.4127(7) 0.3387(7) 0.2115(5) 0.045 Uiso 1 calc R . B303 B 0.2301(7) 0.2423(6) 0.1486(5) 0.035(2) Uani 1 d . . H303 H 0.1980(7) 0.1985(6) 0.1800(5) 0.043 Uiso 1 calc R . B304 B 0.1580(7) 0.2812(7) 0.0965(5) 0.042(2) Uani 1 d . . H304 H 0.0807(7) 0.2621(7) 0.0943(5) 0.050 Uiso 1 calc R . B305 B 0.2505(8) 0.3934(7) 0.0850(4) 0.040(2) Uani 1 d . . H305 H 0.2312(8) 0.4465(7) 0.0754(4) 0.048 Uiso 1 calc R . B306 B 0.3320(8) 0.3707(7) 0.0463(5) 0.041(2) Uani 1 d . . H306 H 0.3653(8) 0.4103(7) 0.0130(5) 0.049 Uiso 1 calc R . B307 B 0.3985(8) 0.3335(8) 0.0964(5) 0.045(3) Uani 1 d . . H307 H 0.4743(8) 0.3493(8) 0.0959(5) 0.054 Uiso 1 calc R . B308 B 0.3117(7) 0.2262(7) 0.1063(5) 0.040(2) Uani 1 d . . H308 H 0.3315(7) 0.1719(7) 0.1116(5) 0.048 Uiso 1 calc R . B309 B 0.1932(8) 0.1987(7) 0.0643(5) 0.041(3) Uani 1 d . . H309 H 0.1359(8) 0.1263(7) 0.0427(5) 0.050 Uiso 1 calc R . B310 B 0.2045(7) 0.2881(7) 0.0260(5) 0.041(2) Uani 1 d . . H310 H 0.1553(7) 0.2746(7) -0.0200(5) 0.049 Uiso 1 calc R . B311 B 0.2945(7) 0.2506(6) 0.0306(5) 0.036(2) Uani 1 d . . H311 H 0.3028(7) 0.2123(6) -0.0128(5) 0.043 Uiso 1 calc R . P1 P 0.49300(14) 0.55533(14) 0.36280(10) 0.0282(5) Uani 1 d . . C1 C 0.3170(7) 0.7702(6) 0.5123(5) 0.051(2) Uani 1 d . . H1A H 0.3733(7) 0.7609(6) 0.5234(5) 0.070(4) Uiso 1 calc R . H1B H 0.3283(7) 0.8043(6) 0.4800(5) 0.070(4) Uiso 1 calc R . C2 C 0.3124(9) 0.8308(7) 0.5724(5) 0.066(3) Uani 1 d . . H2A H 0.3724(9) 0.8884(7) 0.5873(5) 0.110(6) Uiso 1 calc R . H2B H 0.3035(9) 0.7991(7) 0.6055(5) 0.110(6) Uiso 1 calc R . H2C H 0.2584(9) 0.8426(7) 0.5619(5) 0.110(6) Uiso 1 calc R . C3 C 0.1135(8) 0.6878(8) 0.4512(6) 0.072(3) Uani 1 d . . H3A H 0.0964(8) 0.7113(8) 0.4891(6) 0.070(4) Uiso 1 calc R . H3B H 0.1385(8) 0.7366(8) 0.4299(6) 0.070(4) Uiso 1 calc R . C4 C 0.0290(9) 0.6115(10) 0.4096(8) 0.118(6) Uani 1 d . . H4A H -0.0193(9) 0.6301(10) 0.3978(8) 0.110(6) Uiso 1 calc R . H4B H 0.0032(9) 0.5634(10) 0.4308(8) 0.110(6) Uiso 1 calc R . H4C H 0.0453(9) 0.5887(10) 0.3717(8) 0.110(6) Uiso 1 calc R . C5 C 0.1853(8) 0.6041(7) 0.5414(5) 0.059(3) Uani 1 d . . H5A H 0.1672(8) 0.6398(7) 0.5721(5) 0.070(4) Uiso 1 calc R . H5B H 0.1297(8) 0.5424(7) 0.5243(5) 0.070(4) Uiso 1 calc R . C6 C 0.2701(9) 0.5970(7) 0.5760(5) 0.069(3) Uani 1 d . . H6A H 0.2519(9) 0.5680(7) 0.6097(5) 0.110(6) Uiso 1 calc R . H6B H 0.3251(9) 0.6579(7) 0.5941(5) 0.110(6) Uiso 1 calc R . H6C H 0.2876(9) 0.5605(7) 0.5462(5) 0.110(6) Uiso 1 calc R . P2 P -0.0055(2) 0.4105(2) 0.20318(12) 0.0404(6) Uani 1 d . . C7 C 0.5500(6) 0.6674(5) 0.4219(4) 0.033(2) Uani 1 d . . H7A H 0.6172(6) 0.6839(5) 0.4408(4) 0.070(4) Uiso 1 calc R . H7B H 0.5518(6) 0.7138(5) 0.4003(4) 0.070(4) Uiso 1 calc R . C8 C 0.4968(6) 0.6695(6) 0.4756(4) 0.040(2) Uani 1 d . . H8A H 0.5303(6) 0.7303(6) 0.5052(4) 0.110(6) Uiso 1 calc R . H8B H 0.4961(6) 0.6248(6) 0.4979(4) 0.110(6) Uiso 1 calc R . H8C H 0.4307(6) 0.6548(6) 0.4574(4) 0.110(6) Uiso 1 calc R . C9 C 0.5125(6) 0.4785(5) 0.4053(4) 0.033(2) Uani 1 d . . H9A H 0.5811(6) 0.5078(5) 0.4277(4) 0.070(4) Uiso 1 calc R . H9B H 0.4742(6) 0.4694(5) 0.4373(4) 0.070(4) Uiso 1 calc R . C10 C 0.4841(7) 0.3843(5) 0.3607(4) 0.043(2) Uani 1 d . . H10A H 0.4957(7) 0.3466(5) 0.3855(4) 0.110(6) Uiso 1 calc R . H10B H 0.5227(7) 0.3928(5) 0.3295(4) 0.110(6) Uiso 1 calc R . H10C H 0.4158(7) 0.3543(5) 0.3392(4) 0.110(6) Uiso 1 calc R . C11 C 0.5678(6) 0.5690(6) 0.3038(4) 0.036(2) Uani 1 d . . H11A H 0.5380(6) 0.5112(6) 0.2701(4) 0.070(4) Uiso 1 calc R . H11B H 0.5666(6) 0.6163(6) 0.2843(4) 0.070(4) Uiso 1 calc R . C12 C 0.6752(6) 0.5955(7) 0.3311(5) 0.048(2) Uani 1 d . . H12A H 0.7088(6) 0.6012(7) 0.2971(5) 0.110(6) Uiso 1 calc R . H12B H 0.6776(6) 0.5483(7) 0.3494(5) 0.110(6) Uiso 1 calc R . H12C H 0.7062(6) 0.6536(7) 0.3636(5) 0.110(6) Uiso 1 calc R . P3 P 0.2104(2) 0.6577(2) 0.47637(12) 0.0411(6) Uani 1 d . . C13 C -0.0723(6) 0.2881(7) 0.1630(5) 0.060(3) Uani 1 d . . H13A H -0.0312(6) 0.2719(7) 0.1397(5) 0.070(4) Uiso 1 calc R . H13B H -0.0843(6) 0.2542(7) 0.1954(5) 0.070(4) Uiso 1 calc R . C14 C -0.1713(7) 0.2552(8) 0.1158(6) 0.082(4) Uani 1 d . . H14A H -0.2014(7) 0.1895(8) 0.0968(6) 0.110(6) Uiso 1 calc R . H14B H -0.1605(7) 0.2866(8) 0.0826(6) 0.110(6) Uiso 1 calc R . H14C H -0.2137(7) 0.2689(8) 0.1385(6) 0.110(6) Uiso 1 calc R . C15 C -0.0036(7) 0.4768(7) 0.1442(5) 0.057(3) Uani 1 d . . H15A H -0.0693(7) 0.4493(7) 0.1172(5) 0.070(4) Uiso 1 calc R . H15B H 0.0143(7) 0.5395(7) 0.1671(5) 0.070(4) Uiso 1 calc R . C16 C 0.0644(7) 0.4811(7) 0.1025(5) 0.062(3) Uani 1 d . . H16A H 0.0607(7) 0.5167(7) 0.0733(5) 0.110(6) Uiso 1 calc R . H16B H 0.0464(7) 0.4195(7) 0.0785(5) 0.110(6) Uiso 1 calc R . H16C H 0.1301(7) 0.5099(7) 0.1286(5) 0.110(6) Uiso 1 calc R . C17 C -0.0848(7) 0.4336(7) 0.2482(6) 0.059(3) Uani 1 d . . H17A H -0.0555(7) 0.4999(7) 0.2669(6) 0.070(4) Uiso 1 calc R . H17B H -0.1472(7) 0.4135(7) 0.2190(6) 0.070(4) Uiso 1 calc R . C18 C -0.1030(8) 0.3850(8) 0.3019(6) 0.073(3) Uani 1 d . . H18A H -0.1454(8) 0.3996(8) 0.3240(6) 0.110(6) Uiso 1 calc R . H18B H -0.0417(8) 0.4056(8) 0.3316(6) 0.110(6) Uiso 1 calc R . H18C H -0.1334(8) 0.3191(8) 0.2836(6) 0.110(6) Uiso 1 calc R . N1 N -0.1790(5) -0.0408(5) 0.3704(4) 0.046(2) Uani 1 d . . H1 H -0.1244(5) 0.0157(5) 0.3818(4) 0.049(16) Uiso 1 calc R . C19 C -0.2419(7) -0.0400(7) 0.4164(5) 0.052(3) Uani 1 d . . H19A H -0.2923(7) -0.1030(7) 0.4112(5) 0.070(4) Uiso 1 calc R . H19B H -0.2741(7) -0.0044(7) 0.4064(5) 0.070(4) Uiso 1 calc R . C20 C -0.1812(7) 0.0024(7) 0.4871(5) 0.055(3) Uani 1 d . . H20A H -0.1255(7) 0.0622(7) 0.4917(5) 0.070(4) Uiso 1 calc R . H20B H -0.1568(7) -0.0379(7) 0.4997(5) 0.070(4) Uiso 1 calc R . C21 C -0.2489(8) 0.0137(7) 0.5312(5) 0.065(3) Uani 1 d . . H21A H -0.2106(8) 0.0407(7) 0.5754(5) 0.070(4) Uiso 1 calc R . H21B H -0.2693(8) 0.0570(7) 0.5195(5) 0.070(4) Uiso 1 calc R . C22 C -0.3375(8) -0.0737(7) 0.5273(5) 0.068(3) Uani 1 d . . H22A H -0.3746(8) -0.0609(7) 0.5555(5) 0.110(6) Uiso 1 calc R . H22B H -0.3182(8) -0.1165(7) 0.5400(5) 0.110(6) Uiso 1 calc R . H22C H -0.3770(8) -0.1003(7) 0.4840(5) 0.110(6) Uiso 1 calc R . C23 C -0.1475(7) -0.1137(6) 0.3735(5) 0.053(3) Uani 1 d . . H23A H -0.2045(7) -0.1745(6) 0.3558(5) 0.070(4) Uiso 1 calc R . H23B H -0.1229(7) -0.1078(6) 0.4182(5) 0.070(4) Uiso 1 calc R . C24 C -0.0691(7) -0.1079(7) 0.3376(5) 0.051(2) Uani 1 d . . H24A H -0.0110(7) -0.0479(7) 0.3556(5) 0.070(4) Uiso 1 calc R . H24B H -0.0929(7) -0.1136(7) 0.2927(5) 0.070(4) Uiso 1 calc R . C25 C -0.0426(7) -0.1851(6) 0.3424(5) 0.053(3) Uani 1 d . . H25A H -0.0131(7) -0.1756(6) 0.3870(5) 0.070(4) Uiso 1 calc R . H25B H -0.1021(7) -0.2445(6) 0.3286(5) 0.070(4) Uiso 1 calc R . C26 C 0.0280(8) -0.1877(8) 0.3016(6) 0.070(3) Uani 1 d . . H26A H 0.0424(8) -0.2368(8) 0.3060(6) 0.110(6) Uiso 1 calc R . H26B H 0.0876(8) -0.1296(8) 0.3157(6) 0.110(6) Uiso 1 calc R . H26C H -0.0014(8) -0.1983(8) 0.2573(6) 0.110(6) Uiso 1 calc R . C27 C -0.2360(6) -0.0566(6) 0.3022(4) 0.043(2) Uani 1 d . . H27A H -0.2040(6) -0.0741(6) 0.2713(4) 0.070(4) Uiso 1 calc R . H27B H -0.3017(6) -0.1079(6) 0.2941(4) 0.070(4) Uiso 1 calc R . C28 C -0.2435(7) 0.0278(6) 0.2913(5) 0.054(3) Uani 1 d . . H28A H -0.1783(7) 0.0793(6) 0.2983(5) 0.070(4) Uiso 1 calc R . H28B H -0.2758(7) 0.0458(6) 0.3217(5) 0.070(4) Uiso 1 calc R . C29 C -0.3020(6) 0.0052(6) 0.2224(5) 0.051(3) Uani 1 d . . H29A H -0.3661(6) -0.0484(6) 0.2140(5) 0.070(4) Uiso 1 calc R . H29B H -0.2676(6) -0.0080(6) 0.1916(5) 0.070(4) Uiso 1 calc R . C30 C -0.3126(9) 0.0932(9) 0.2167(7) 0.102(5) Uani 1 d . . H30A H -0.3489(9) 0.0820(9) 0.1742(7) 0.110(6) Uiso 1 calc R . H30B H -0.2487(9) 0.1457(9) 0.2252(7) 0.110(6) Uiso 1 calc R . H30C H -0.3467(9) 0.1055(9) 0.2475(7) 0.110(6) Uiso 1 calc R . N2 N 0.4351(5) 0.6884(5) 0.0675(4) 0.046(2) Uani 1 d . . H2 H 0.4275(5) 0.7047(5) 0.1077(4) 0.049(16) Uiso 1 calc R . C31 C 0.5099(7) 0.6553(6) 0.0750(5) 0.048(2) Uani 1 d . . H31A H 0.4776(7) 0.5919(6) 0.0780(5) 0.070(4) Uiso 1 calc R . H31B H 0.5351(7) 0.6550(6) 0.0368(5) 0.070(4) Uiso 1 calc R . C32 C 0.5943(8) 0.7127(8) 0.1327(6) 0.065(3) Uani 1 d . . H32A H 0.6305(8) 0.7749(8) 0.1284(6) 0.070(4) Uiso 1 calc R . H32B H 0.5695(8) 0.7168(8) 0.1709(6) 0.070(4) Uiso 1 calc R . C33 C 0.6611(8) 0.6725(7) 0.1402(7) 0.075(4) Uani 1 d . . H33A H 0.6281(8) 0.6151(7) 0.1520(7) 0.070(4) Uiso 1 calc R . H33B H 0.6761(8) 0.6577(7) 0.0993(7) 0.070(4) Uiso 1 calc R . C34 C 0.7533(11) 0.7354(8) 0.1892(7) 0.106(5) Uani 1 d . . H34A H 0.7939(11) 0.7063(8) 0.1922(7) 0.110(6) Uiso 1 calc R . H34B H 0.7391(11) 0.7492(8) 0.2300(7) 0.110(6) Uiso 1 calc R . H34C H 0.7871(11) 0.7918(8) 0.1772(7) 0.110(6) Uiso 1 calc R . C35 C 0.4732(7) 0.7757(6) 0.0457(5) 0.051(2) Uani 1 d . . H35A H 0.5355(7) 0.8222(6) 0.0747(5) 0.070(4) Uiso 1 calc R . H35B H 0.4840(7) 0.7628(6) 0.0031(5) 0.070(4) Uiso 1 calc R . C36 C 0.4015(8) 0.8121(7) 0.0445(5) 0.063(3) Uani 1 d . . H36A H 0.3675(8) 0.7969(7) 0.0782(5) 0.070(4) Uiso 1 calc R . H36B H 0.3530(8) 0.7811(7) 0.0037(5) 0.070(4) Uiso 1 calc R . C37 C 0.4484(8) 0.9160(7) 0.0537(6) 0.067(3) Uani 1 d . . H37A H 0.4823(8) 0.9313(7) 0.0200(6) 0.070(4) Uiso 1 calc R . H37B H 0.4968(8) 0.9471(7) 0.0945(6) 0.070(4) Uiso 1 calc R . C38 C 0.3745(8) 0.9528(8) 0.0524(7) 0.078(4) Uani 1 d . . H38A H 0.4084(8) 1.0186(8) 0.0584(7) 0.110(6) Uiso 1 calc R . H38B H 0.3417(8) 0.9393(8) 0.0863(7) 0.110(6) Uiso 1 calc R . H38C H 0.3272(8) 0.9235(8) 0.0117(7) 0.110(6) Uiso 1 calc R . C39 C 0.3358(8) 0.6132(7) 0.0283(5) 0.063(3) Uani 1 d . . H39A H 0.2888(8) 0.6358(7) 0.0315(5) 0.070(4) Uiso 1 calc R . H39B H 0.3161(8) 0.5607(7) 0.0464(5) 0.070(4) Uiso 1 calc R . C40 C 0.3323(9) 0.5811(8) -0.0415(6) 0.074(3) Uani 1 d . . H40A H 0.3817(9) 0.5618(8) -0.0453(6) 0.070(4) Uiso 1 calc R . H40B H 0.3462(9) 0.6318(8) -0.0611(6) 0.070(4) Uiso 1 calc R . C41 C 0.2306(9) 0.4999(8) -0.0762(7) 0.085(4) Uani 1 d . . H41A H 0.2207(9) 0.4469(8) -0.0600(7) 0.070(4) Uiso 1 calc R . H41B H 0.1810(9) 0.5168(8) -0.0670(7) 0.070(4) Uiso 1 calc R . C42 C 0.2187(12) 0.4736(10) -0.1477(7) 0.120(6) Uani 1 d . . H42A H 0.1543(12) 0.4227(10) -0.1678(7) 0.110(6) Uiso 1 calc R . H42B H 0.2669(12) 0.4557(10) -0.1569(7) 0.110(6) Uiso 1 calc R . H42C H 0.2274(12) 0.5257(10) -0.1639(7) 0.110(6) Uiso 1 calc R . N3 N 0.1291(5) 0.0230(4) 0.1644(3) 0.035(2) Uani 1 d . . H3 H 0.1587(5) 0.0785(4) 0.1552(3) 0.049(16) Uiso 1 calc R . C43 C 0.1873(6) 0.0365(6) 0.2305(4) 0.041(2) Uani 1 d . . H43A H 0.1746(6) 0.0757(6) 0.2624(4) 0.070(4) Uiso 1 calc R . H43B H 0.1645(6) -0.0233(6) 0.2398(4) 0.070(4) Uiso 1 calc R . C44 C 0.2959(6) 0.0793(6) 0.2367(4) 0.041(2) Uani 1 d . . H44A H 0.3179(6) 0.1332(6) 0.2200(4) 0.070(4) Uiso 1 calc R . H44B H 0.3112(6) 0.0350(6) 0.2120(4) 0.070(4) Uiso 1 calc R . C45 C 0.3487(6) 0.1079(6) 0.3079(5) 0.044(2) Uani 1 d . . H45A H 0.3309(6) 0.1507(6) 0.3319(5) 0.070(4) Uiso 1 calc R . H45B H 0.3253(6) 0.0533(6) 0.3238(5) 0.070(4) Uiso 1 calc R . C46 C 0.4599(7) 0.1533(6) 0.3212(6) 0.063(3) Uani 1 d . . H46A H 0.4872(7) 0.1691(6) 0.3666(6) 0.110(6) Uiso 1 calc R . H46B H 0.4842(7) 0.2085(6) 0.3068(6) 0.110(6) Uiso 1 calc R . H46C H 0.4785(7) 0.1110(6) 0.2987(6) 0.110(6) Uiso 1 calc R . C47 C 0.0283(6) 0.0067(6) 0.1685(4) 0.040(2) Uani 1 d . . H47A H 0.0342(6) 0.0546(6) 0.2040(4) 0.070(4) Uiso 1 calc R . H47B H -0.0062(6) -0.0524(6) 0.1780(4) 0.070(4) Uiso 1 calc R . C48 C -0.0324(6) 0.0060(6) 0.1084(4) 0.040(2) Uani 1 d . . H48A H -0.0484(6) -0.0480(6) 0.0741(4) 0.070(4) Uiso 1 calc R . H48B H 0.0051(6) 0.0609(6) 0.0948(4) 0.070(4) Uiso 1 calc R . C49 C -0.1268(7) 0.0041(7) 0.1208(5) 0.053(3) Uani 1 d . . H49A H -0.1105(7) 0.0544(7) 0.1582(5) 0.070(4) Uiso 1 calc R . H49B H -0.1668(7) -0.0538(7) 0.1303(5) 0.070(4) Uiso 1 calc R . C50 C -0.1865(8) 0.0135(7) 0.0628(5) 0.060(3) Uani 1 d . . H50A H -0.2449(8) 0.0119(7) 0.0727(5) 0.110(6) Uiso 1 calc R . H50B H -0.2039(8) -0.0369(7) 0.0259(5) 0.110(6) Uiso 1 calc R . H50C H -0.1476(8) 0.0712(7) 0.0538(5) 0.110(6) Uiso 1 calc R . C51 C 0.1333(6) -0.0457(5) 0.1117(4) 0.037(2) Uani 1 d . . H51A H 0.2015(6) -0.0266(5) 0.1118(4) 0.070(4) Uiso 1 calc R . H51B H 0.1017(6) -0.0445(5) 0.0708(4) 0.070(4) Uiso 1 calc R . C52 C 0.0848(6) -0.1451(5) 0.1170(4) 0.042(2) Uani 1 d . . H52A H 0.0171(6) -0.1645(5) 0.1185(4) 0.070(4) Uiso 1 calc R . H52B H 0.1184(6) -0.1482(5) 0.1566(4) 0.070(4) Uiso 1 calc R . C53 C 0.0884(7) -0.2103(6) 0.0597(5) 0.053(3) Uani 1 d . . H53A H 0.0519(7) -0.2097(6) 0.0203(5) 0.070(4) Uiso 1 calc R . H53B H 0.1558(7) -0.1891(6) 0.0569(5) 0.070(4) Uiso 1 calc R . C54 C 0.0452(9) -0.3079(6) 0.0667(6) 0.080(4) Uani 1 d . . H54A H 0.0479(9) -0.3480(6) 0.0303(6) 0.110(6) Uiso 1 calc R . H54B H -0.0218(9) -0.3291(6) 0.0688(6) 0.110(6) Uiso 1 calc R . H54C H 0.0820(9) -0.3085(6) 0.1053(6) 0.110(6) Uiso 1 calc R . C55 C -0.4537(9) 0.2454(12) 0.1846(6) 0.112(6) Uani 1 d . . H55A H -0.4954(9) 0.2714(12) 0.1721(6) 0.070(4) Uiso 1 calc R . H55B H -0.4908(9) 0.1944(12) 0.2017(6) 0.070(4) Uiso 1 calc R . Cl1 Cl -0.3538(3) 0.3285(4) 0.2438(2) 0.140(2) Uani 1 d . . Cl2 Cl -0.4239(2) 0.2029(2) 0.1172(2) 0.0803(9) Uani 1 d . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Au1 0.0253(2) 0.0245(2) 0.0297(2) 0.00988(13) 0.00851(13) 0.01219(13) Au2 0.0254(2) 0.0294(2) 0.0325(2) 0.01070(14) 0.00834(14) 0.01261(14) Au3 0.0404(2) 0.0273(2) 0.0364(2) 0.01476(15) 0.0207(2) 0.01729(15) Sn1 0.0383(3) 0.0270(3) 0.0315(3) 0.0105(2) 0.0150(3) 0.0161(3) B101 0.076(8) 0.032(5) 0.051(7) 0.011(5) 0.033(6) 0.032(6) B102 0.041(6) 0.035(5) 0.059(7) 0.028(5) 0.004(5) 0.012(5) B103 0.035(6) 0.042(6) 0.084(9) 0.035(6) 0.025(6) 0.024(5) B104 0.043(6) 0.035(5) 0.054(7) 0.022(5) 0.035(5) 0.020(5) B105 0.051(6) 0.033(5) 0.038(6) 0.017(5) 0.010(5) 0.013(5) B106 0.075(8) 0.032(5) 0.047(7) 0.024(5) 0.027(6) 0.023(5) B107 0.039(6) 0.043(6) 0.041(6) 0.017(5) -0.009(5) 0.009(5) B108 0.033(5) 0.042(6) 0.059(7) 0.026(5) 0.016(5) 0.019(5) B109 0.034(5) 0.034(5) 0.057(7) 0.024(5) 0.026(5) 0.014(4) B110 0.045(6) 0.033(5) 0.047(7) 0.019(5) 0.001(5) 0.012(5) B111 0.025(5) 0.028(5) 0.040(6) 0.018(4) 0.004(4) 0.003(4) Sn2 0.0446(3) 0.0275(3) 0.0450(4) 0.0202(3) 0.0233(3) 0.0186(3) B201 0.056(6) 0.036(5) 0.029(5) 0.019(4) 0.023(5) 0.020(5) B202 0.032(5) 0.039(5) 0.045(6) 0.014(5) 0.011(5) 0.016(4) B203 0.052(6) 0.031(5) 0.075(8) 0.033(5) 0.046(6) 0.025(5) B204 0.040(5) 0.028(5) 0.049(6) 0.017(5) 0.023(5) 0.022(4) B205 0.040(5) 0.030(5) 0.041(6) 0.013(4) 0.021(5) 0.017(4) B206 0.058(7) 0.030(5) 0.059(7) 0.019(5) 0.027(6) 0.027(5) B207 0.035(5) 0.030(5) 0.041(6) 0.016(4) 0.014(5) 0.012(4) B208 0.034(5) 0.049(6) 0.057(7) 0.029(5) 0.021(5) 0.025(5) B209 0.030(5) 0.036(5) 0.048(6) 0.018(5) 0.021(5) 0.019(4) B210 0.046(6) 0.047(6) 0.035(6) 0.017(5) 0.011(5) 0.024(5) B211 0.043(6) 0.036(5) 0.053(7) 0.025(5) 0.024(5) 0.024(5) Sn3 0.0449(3) 0.0271(3) 0.0447(4) 0.0195(3) 0.0222(3) 0.0148(3) B301 0.036(5) 0.033(5) 0.037(6) 0.015(4) 0.024(5) 0.006(4) B302 0.043(6) 0.043(6) 0.031(5) 0.003(5) 0.010(5) 0.026(5) B303 0.048(6) 0.027(5) 0.038(6) 0.012(4) 0.016(5) 0.020(4) B304 0.031(5) 0.048(6) 0.045(6) 0.020(5) 0.012(5) 0.014(5) B305 0.072(7) 0.045(6) 0.022(5) 0.025(4) 0.026(5) 0.036(6) B306 0.055(7) 0.039(6) 0.033(6) 0.019(5) 0.022(5) 0.021(5) B307 0.037(6) 0.062(7) 0.038(6) 0.014(5) 0.013(5) 0.024(5) B308 0.051(6) 0.060(7) 0.033(6) 0.023(5) 0.018(5) 0.042(6) B309 0.050(6) 0.034(5) 0.040(6) 0.009(5) 0.029(5) 0.016(5) B310 0.039(6) 0.050(6) 0.031(6) 0.000(5) 0.008(5) 0.024(5) B311 0.037(5) 0.031(5) 0.044(6) 0.013(4) 0.023(5) 0.016(4) P1 0.0265(10) 0.0287(10) 0.0291(11) 0.0098(9) 0.0069(9) 0.0124(9) C1 0.066(6) 0.045(5) 0.039(6) 0.003(4) 0.013(5) 0.029(5) C2 0.094(9) 0.053(6) 0.058(7) 0.004(5) 0.023(6) 0.044(6) C3 0.081(8) 0.060(7) 0.077(8) 0.008(6) 0.042(7) 0.033(6) C4 0.075(9) 0.099(11) 0.132(14) -0.040(10) 0.038(9) 0.025(8) C5 0.070(7) 0.055(6) 0.050(6) 0.019(5) 0.030(6) 0.023(6) C6 0.126(10) 0.064(7) 0.039(6) 0.027(5) 0.031(7) 0.054(7) P2 0.0271(11) 0.0506(14) 0.0443(14) 0.0182(12) 0.0094(10) 0.0170(11) C7 0.030(4) 0.028(4) 0.039(5) 0.013(4) 0.006(4) 0.011(4) C8 0.043(5) 0.037(5) 0.036(5) 0.008(4) 0.008(4) 0.018(4) C9 0.033(4) 0.033(4) 0.033(5) 0.013(4) 0.011(4) 0.013(4) C10 0.057(6) 0.030(4) 0.041(5) 0.012(4) 0.015(5) 0.019(4) C11 0.028(4) 0.044(5) 0.045(5) 0.022(4) 0.015(4) 0.018(4) C12 0.036(5) 0.061(6) 0.054(6) 0.030(5) 0.021(5) 0.022(5) P3 0.0476(14) 0.0515(14) 0.0375(13) 0.0122(11) 0.0198(11) 0.0324(12) C13 0.026(5) 0.057(6) 0.073(8) -0.011(6) 0.005(5) 0.010(4) C14 0.041(6) 0.076(8) 0.095(10) -0.007(7) -0.012(6) 0.016(6) C15 0.038(5) 0.067(7) 0.061(7) 0.016(6) -0.005(5) 0.027(5) C16 0.060(7) 0.055(6) 0.058(7) 0.025(6) 0.013(6) 0.013(5) C17 0.044(6) 0.049(6) 0.085(8) 0.013(6) 0.004(6) 0.027(5) C18 0.061(7) 0.093(9) 0.076(9) 0.025(7) 0.030(7) 0.041(7) N1 0.042(4) 0.047(4) 0.051(5) 0.014(4) 0.019(4) 0.020(4) C19 0.057(6) 0.054(6) 0.059(7) 0.024(5) 0.030(5) 0.031(5) C20 0.053(6) 0.043(5) 0.054(6) 0.014(5) 0.015(5) 0.011(5) C21 0.084(8) 0.050(6) 0.060(7) 0.015(5) 0.020(6) 0.031(6) C22 0.077(8) 0.067(7) 0.059(7) 0.022(6) 0.033(6) 0.028(6) C23 0.064(6) 0.042(5) 0.062(7) 0.019(5) 0.025(6) 0.028(5) C24 0.049(6) 0.057(6) 0.064(7) 0.024(5) 0.022(5) 0.036(5) C25 0.056(6) 0.048(6) 0.074(7) 0.033(5) 0.028(6) 0.031(5) C26 0.072(8) 0.069(7) 0.079(9) 0.025(6) 0.042(7) 0.035(6) C27 0.042(5) 0.047(5) 0.046(6) 0.016(5) 0.009(4) 0.025(4) C28 0.044(6) 0.036(5) 0.068(7) 0.023(5) 0.014(5) 0.003(4) C29 0.025(4) 0.051(6) 0.066(7) 0.034(5) -0.004(4) 0.005(4) C30 0.058(8) 0.108(10) 0.117(12) 0.077(10) -0.015(7) 0.012(7) N2 0.053(5) 0.046(4) 0.044(5) 0.017(4) 0.019(4) 0.024(4) C31 0.070(7) 0.046(5) 0.052(6) 0.026(5) 0.031(5) 0.039(5) C32 0.062(7) 0.066(7) 0.069(8) 0.008(6) 0.006(6) 0.040(6) C33 0.061(7) 0.054(7) 0.106(10) 0.001(7) 0.000(7) 0.037(6) C34 0.119(12) 0.060(8) 0.122(13) -0.006(8) -0.008(10) 0.051(8) C35 0.058(6) 0.048(6) 0.059(7) 0.028(5) 0.023(5) 0.029(5) C36 0.082(8) 0.059(6) 0.056(7) 0.026(6) 0.030(6) 0.033(6) C37 0.077(8) 0.055(7) 0.087(9) 0.024(6) 0.036(7) 0.041(6) C38 0.077(8) 0.063(7) 0.116(11) 0.035(7) 0.046(8) 0.041(7) C39 0.066(7) 0.045(6) 0.057(7) 0.025(5) 0.010(6) 0.007(5) C40 0.093(9) 0.073(8) 0.074(9) 0.036(7) 0.026(7) 0.047(7) C41 0.086(9) 0.050(7) 0.102(11) 0.026(7) -0.018(8) 0.027(7) C42 0.176(16) 0.102(11) 0.091(12) -0.003(9) -0.034(11) 0.102(12) N3 0.036(4) 0.028(4) 0.045(4) 0.015(3) 0.011(3) 0.015(3) C43 0.046(5) 0.031(5) 0.048(6) 0.013(4) 0.009(5) 0.020(4) C44 0.050(5) 0.035(5) 0.047(6) 0.017(4) 0.010(5) 0.026(4) C45 0.038(5) 0.034(5) 0.054(6) 0.006(4) 0.001(4) 0.016(4) C46 0.056(6) 0.042(6) 0.086(9) 0.006(6) 0.012(6) 0.024(5) C47 0.042(5) 0.036(5) 0.044(5) 0.009(4) 0.009(4) 0.020(4) C48 0.027(4) 0.039(5) 0.053(6) 0.015(4) 0.013(4) 0.013(4) C49 0.046(6) 0.054(6) 0.058(7) 0.023(5) 0.004(5) 0.023(5) C50 0.069(7) 0.058(6) 0.066(7) 0.014(6) 0.020(6) 0.041(6) C51 0.048(5) 0.033(4) 0.033(5) 0.009(4) 0.008(4) 0.023(4) C52 0.040(5) 0.026(4) 0.050(6) 0.009(4) -0.002(4) 0.013(4) C53 0.061(6) 0.047(6) 0.045(6) 0.000(5) -0.002(5) 0.029(5) C54 0.089(9) 0.034(6) 0.084(9) -0.012(6) -0.020(7) 0.023(6) C55 0.073(9) 0.205(17) 0.049(8) -0.007(9) 0.003(7) 0.077(11) Cl1 0.066(2) 0.227(5) 0.076(3) -0.005(3) 0.022(2) 0.043(3) Cl2 0.088(2) 0.102(2) 0.082(2) 0.045(2) 0.039(2) 0.060(2) _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 Au1 P1 2.314(2) . ? Au1 Au2 2.6055(5) . ? Au1 Sn1 2.7353(8) . ? Au1 Au3 2.7934(5) . ? Au1 Sn2 2.8814(7) . ? Au1 Sn3 2.9535(7) . ? Au2 P2 2.299(2) . ? Au2 Sn1 2.8114(7) . ? Au2 Au3 2.8940(6) . ? Au2 Sn2 3.0224(7) . ? Au2 Sn3 3.1204(7) . ? Au3 P3 2.317(2) . ? Au3 Sn2 2.7329(7) . ? Au3 Sn3 2.7371(7) . ? Sn1 B301 2.321(8) . ? Sn1 B303 2.329(9) . ? Sn1 B302 2.332(9) . ? Sn1 B305 2.336(9) . ? Sn1 B304 2.349(11) . ? B101 B110 1.780(14) . ? B101 B109 1.79(2) . ? B101 B103 1.87(2) . ? B101 B102 1.88(2) . ? B101 Sn3 2.312(9) . ? B101 H101 1.10 . ? B102 B110 1.748(14) . ? B102 B108 1.771(15) . ? B102 B104 1.90(2) . ? B102 Sn3 2.328(10) . ? B102 H102 1.10 . ? B103 B109 1.747(14) . ? B103 B107 1.761(15) . ? B103 B105 1.88(2) . ? B103 Sn3 2.359(10) . ? B103 H103 1.10 . ? B104 B106 1.762(14) . ? B104 B108 1.766(14) . ? B104 B105 1.82(2) . ? B104 Sn3 2.315(8) . ? B104 H104 1.10 . ? B105 B107 1.747(15) . ? B105 B106 1.776(14) . ? B105 Sn3 2.341(10) . ? B105 H105 1.10 . ? B106 B108 1.74(2) . ? B106 B111 1.753(14) . ? B106 B107 1.77(2) . ? B106 H106 1.10 . ? B107 B111 1.746(13) . ? B107 B109 1.77(2) . ? B107 H107 1.10 . ? B108 B111 1.764(14) . ? B108 B110 1.78(2) . ? B108 H108 1.10 . ? B109 B111 1.765(13) . ? B109 B110 1.814(15) . ? B109 H109 1.10 . ? B110 B111 1.788(14) . ? B110 H110 1.10 . ? B111 H111 1.10 . ? Sn2 B203 2.322(9) . ? Sn2 B201 2.327(9) . ? Sn2 B205 2.328(9) . ? Sn2 B204 2.342(9) . ? Sn2 B202 2.347(10) . ? B201 B209 1.760(13) . ? B201 B210 1.761(14) . ? B201 B203 1.88(2) . ? B201 B202 1.907(14) . ? B201 H201 1.10 . ? B202 B208 1.732(14) . ? B202 B210 1.764(13) . ? B202 B204 1.878(14) . ? B202 H202 1.10 . ? B203 B209 1.762(15) . ? B203 B207 1.767(13) . ? B203 B205 1.887(14) . ? B203 H203 1.10 . ? B204 B208 1.750(14) . ? B204 B206 1.774(13) . ? B204 B205 1.876(14) . ? B204 H204 1.10 . ? B205 B207 1.754(12) . ? B205 B206 1.791(14) . ? B205 H205 1.10 . ? B206 B208 1.78(2) . ? B206 B211 1.788(15) . ? B206 B207 1.793(14) . ? B206 H206 1.10 . ? B207 B209 1.780(14) . ? B207 B211 1.802(14) . ? B207 H207 1.10 . ? B208 B210 1.777(15) . ? B208 B211 1.783(13) . ? B208 H208 1.10 . ? B209 B211 1.775(13) . ? B209 B210 1.790(14) . ? B209 H209 1.10 . ? B210 B211 1.767(15) . ? B210 H210 1.10 . ? B211 H211 1.10 . ? B301 B307 1.760(15) . ? B301 B306 1.766(14) . ? B301 B305 1.856(15) . ? B301 B302 1.859(14) . ? B301 H301 1.10 . ? B302 B308 1.737(14) . ? B302 B307 1.736(14) . ? B302 B303 1.841(14) . ? B302 H302 1.10 . ? B303 B308 1.760(13) . ? B303 B309 1.761(14) . ? B303 B304 1.888(15) . ? B303 H303 1.10 . ? B304 B309 1.767(14) . ? B304 B310 1.788(14) . ? B304 B305 1.883(13) . ? B304 H304 1.10 . ? B305 B310 1.754(14) . ? B305 B306 1.758(14) . ? B305 H305 1.10 . ? B306 B311 1.772(13) . ? B306 B307 1.78(2) . ? B306 B310 1.787(14) . ? B306 H306 1.10 . ? B307 B308 1.782(15) . ? B307 B311 1.812(15) . ? B307 H307 1.10 . ? B308 B309 1.772(15) . ? B308 B311 1.785(14) . ? B308 H308 1.10 . ? B309 B311 1.773(12) . ? B309 B310 1.79(2) . ? B309 H309 1.10 . ? B310 B311 1.778(14) . ? B310 H310 1.10 . ? B311 H311 1.10 . ? P1 C7 1.816(8) . ? P1 C9 1.818(8) . ? P1 C11 1.833(8) . ? C1 C2 1.534(12) . ? C1 P3 1.809(9) . ? C1 H1A 0.97 . ? C1 H1B 0.97 . ? C2 H2A 0.96 . ? C2 H2B 0.96 . ? C2 H2C 0.96 . ? C3 C4 1.40(2) . ? C3 P3 1.848(12) . ? C3 H3A 0.97 . ? C3 H3B 0.97 . ? C4 H4A 0.96 . ? C4 H4B 0.96 . ? C4 H4C 0.96 . ? C5 C6 1.502(15) . ? C5 P3 1.808(10) . ? C5 H5A 0.97 . ? C5 H5B 0.97 . ? C6 H6A 0.96 . ? C6 H6B 0.96 . ? C6 H6C 0.96 . ? P2 C13 1.804(10) . ? P2 C17 1.810(10) . ? P2 C15 1.839(10) . ? C7 C8 1.531(11) . ? C7 H7A 0.97 . ? C7 H7B 0.97 . ? C8 H8A 0.96 . ? C8 H8B 0.96 . ? C8 H8C 0.96 . ? C9 C10 1.526(11) . ? C9 H9A 0.97 . ? C9 H9B 0.97 . ? C10 H10A 0.96 . ? C10 H10B 0.96 . ? C10 H10C 0.96 . ? C11 C12 1.536(11) . ? C11 H11A 0.97 . ? C11 H11B 0.97 . ? C12 H12A 0.96 . ? C12 H12B 0.96 . ? C12 H12C 0.96 . ? C13 C14 1.545(14) . ? C13 H13A 0.97 . ? C13 H13B 0.97 . ? C14 H14A 0.96 . ? C14 H14B 0.96 . ? C14 H14C 0.96 . ? C15 C16 1.478(13) . ? C15 H15A 0.97 . ? C15 H15B 0.97 . ? C16 H16A 0.96 . ? C16 H16B 0.96 . ? C16 H16C 0.96 . ? C17 C18 1.530(15) . ? C17 H17A 0.97 . ? C17 H17B 0.97 . ? C18 H18A 0.96 . ? C18 H18B 0.96 . ? C18 H18C 0.96 . ? N1 C19 1.501(11) . ? N1 C23 1.512(11) . ? N1 C27 1.541(11) . ? N1 H1 0.91 . ? C19 C20 1.548(14) . ? C19 H19A 0.97 . ? C19 H19B 0.97 . ? C20 C21 1.573(14) . ? C20 H20A 0.97 . ? C20 H20B 0.97 . ? C21 C22 1.483(13) . ? C21 H21A 0.97 . ? C21 H21B 0.97 . ? C22 H22A 0.96 . ? C22 H22B 0.96 . ? C22 H22C 0.96 . ? C23 C24 1.522(12) . ? C23 H23A 0.97 . ? C23 H23B 0.97 . ? C24 C25 1.538(12) . ? C24 H24A 0.97 . ? C24 H24B 0.97 . ? C25 C26 1.522(13) . ? C25 H25A 0.97 . ? C25 H25B 0.97 . ? C26 H26A 0.96 . ? C26 H26B 0.96 . ? C26 H26C 0.96 . ? C27 C28 1.522(12) . ? C27 H27A 0.97 . ? C27 H27B 0.97 . ? C28 C29 1.537(13) . ? C28 H28A 0.97 . ? C28 H28B 0.97 . ? C29 C30 1.57(2) . ? C29 H29A 0.97 . ? C29 H29B 0.97 . ? C30 H30A 0.96 . ? C30 H30B 0.96 . ? C30 H30C 0.96 . ? N2 C39 1.502(12) . ? N2 C31 1.505(11) . ? N2 C35 1.506(11) . ? N2 H2 0.91 . ? C31 C32 1.498(14) . ? C31 H31A 0.97 . ? C31 H31B 0.97 . ? C32 C33 1.481(14) . ? C32 H32A 0.97 . ? C32 H32B 0.97 . ? C33 C34 1.47(2) . ? C33 H33A 0.97 . ? C33 H33B 0.97 . ? C34 H34A 0.96 . ? C34 H34B 0.96 . ? C34 H34C 0.96 . ? C35 C36 1.497(14) . ? C35 H35A 0.97 . ? C35 H35B 0.97 . ? C36 C37 1.517(13) . ? C36 H36A 0.97 . ? C36 H36B 0.97 . ? C37 C38 1.532(14) . ? C37 H37A 0.97 . ? C37 H37B 0.97 . ? C38 H38A 0.96 . ? C38 H38B 0.96 . ? C38 H38C 0.96 . ? C39 C40 1.505(15) . ? C39 H39A 0.97 . ? C39 H39B 0.97 . ? C40 C41 1.53(2) . ? C40 H40A 0.97 . ? C40 H40B 0.97 . ? C41 C42 1.50(2) . ? C41 H41A 0.97 . ? C41 H41B 0.97 . ? C42 H42A 0.96 . ? C42 H42B 0.96 . ? C42 H42C 0.96 . ? N3 C47 1.499(10) . ? N3 C51 1.500(10) . ? N3 C43 1.521(11) . ? N3 H3 0.91 . ? C43 C44 1.502(12) . ? C43 H43A 0.97 . ? C43 H43B 0.97 . ? C44 C45 1.536(12) . ? C44 H44A 0.97 . ? C44 H44B 0.97 . ? C45 C46 1.522(12) . ? C45 H45A 0.97 . ? C45 H45B 0.97 . ? C46 H46A 0.96 . ? C46 H46B 0.96 . ? C46 H46C 0.96 . ? C47 C48 1.508(12) . ? C47 H47A 0.97 . ? C47 H47B 0.97 . ? C48 C49 1.529(12) . ? C48 H48A 0.97 . ? C48 H48B 0.97 . ? C49 C50 1.544(14) . ? C49 H49A 0.97 . ? C49 H49B 0.97 . ? C50 H50A 0.96 . ? C50 H50B 0.96 . ? C50 H50C 0.96 . ? C51 C52 1.526(10) . ? C51 H51A 0.97 . ? C51 H51B 0.97 . ? C52 C53 1.528(12) . ? C52 H52A 0.97 . ? C52 H52B 0.97 . ? C53 C54 1.510(13) . ? C53 H53A 0.97 . ? C53 H53B 0.97 . ? C54 H54A 0.96 . ? C54 H54B 0.96 . ? C54 H54C 0.96 . ? C55 Cl1 1.712(13) . ? C55 Cl2 1.728(12) . ? C55 H55A 0.97 . ? C55 H55B 0.97 . ? 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 P1 Au1 Au2 175.31(5) . . ? P1 Au1 Sn1 115.56(5) . . ? Au2 Au1 Sn1 63.47(2) . . ? P1 Au1 Au3 116.19(5) . . ? Au2 Au1 Au3 64.720(15) . . ? Sn1 Au1 Au3 128.17(2) . . ? P1 Au1 Sn2 109.67(5) . . ? Au2 Au1 Sn2 66.63(2) . . ? Sn1 Au1 Sn2 101.84(2) . . ? Au3 Au1 Sn2 57.554(15) . . ? P1 Au1 Sn3 116.56(5) . . ? Au2 Au1 Sn3 67.96(2) . . ? Sn1 Au1 Sn3 101.32(2) . . ? Au3 Au1 Sn3 56.80(2) . . ? Sn2 Au1 Sn3 110.74(2) . . ? P2 Au2 Au1 176.68(6) . . ? P2 Au2 Sn1 116.51(7) . . ? Au1 Au2 Sn1 60.52(2) . . ? P2 Au2 Au3 122.21(6) . . ? Au1 Au2 Au3 60.785(14) . . ? Sn1 Au2 Au3 121.28(2) . . ? P2 Au2 Sn2 118.96(6) . . ? Au1 Au2 Sn2 61.06(2) . . ? Sn1 Au2 Sn2 96.69(2) . . ? Au3 Au2 Sn2 54.97(2) . . ? P2 Au2 Sn3 121.28(6) . . ? Au1 Au2 Sn3 61.33(2) . . ? Sn1 Au2 Sn3 95.68(2) . . ? Au3 Au2 Sn3 53.98(2) . . ? Sn2 Au2 Sn3 102.80(2) . . ? P3 Au3 Sn2 113.16(6) . . ? P3 Au3 Sn3 124.10(6) . . ? Sn2 Au3 Sn3 122.74(2) . . ? P3 Au3 Au1 157.05(6) . . ? Sn2 Au3 Au1 62.84(2) . . ? Sn3 Au3 Au1 64.55(2) . . ? P3 Au3 Au2 146.94(7) . . ? Sn2 Au3 Au2 64.90(2) . . ? Sn3 Au3 Au2 67.24(2) . . ? Au1 Au3 Au2 54.495(12) . . ? B301 Sn1 B303 80.7(3) . . ? B301 Sn1 B302 47.1(4) . . ? B303 Sn1 B302 46.5(3) . . ? B301 Sn1 B305 47.0(4) . . ? B303 Sn1 B305 80.5(3) . . ? B302 Sn1 B305 79.9(4) . . ? B301 Sn1 B304 81.3(3) . . ? B303 Sn1 B304 47.6(4) . . ? B302 Sn1 B304 80.6(4) . . ? B305 Sn1 B304 47.4(3) . . ? B301 Sn1 Au1 116.2(3) . . ? B303 Sn1 Au1 132.3(3) . . ? B302 Sn1 Au1 111.5(3) . . ? B305 Sn1 Au1 144.6(2) . . ? B304 Sn1 Au1 162.5(2) . . ? B301 Sn1 Au2 147.9(3) . . ? B303 Sn1 Au2 129.1(2) . . ? B302 Sn1 Au2 161.6(3) . . ? B305 Sn1 Au2 118.3(3) . . ? B304 Sn1 Au2 108.9(3) . . ? Au1 Sn1 Au2 56.01(2) . . ? B110 B101 B109 61.1(6) . . ? B110 B101 B103 106.4(7) . . ? B109 B101 B103 57.0(6) . . ? B110 B101 B102 57.0(6) . . ? B109 B101 B102 106.3(7) . . ? B103 B101 B102 108.7(7) . . ? B110 B101 Sn3 117.5(6) . . ? B109 B101 Sn3 118.3(7) . . ? B103 B101 Sn3 67.7(4) . . ? B102 B101 Sn3 66.5(4) . . ? B110 B101 H101 121.5(5) . . ? B109 B101 H101 121.1(5) . . ? B103 B101 H101 122.4(5) . . ? B102 B101 H101 123.0(5) . . ? Sn3 B101 H101 110.0(3) . . ? B110 B102 B108 60.8(6) . . ? B110 B102 B101 58.6(6) . . ? B108 B102 B101 106.2(7) . . ? B110 B102 B104 106.2(7) . . ? B108 B102 B104 57.4(6) . . ? B101 B102 B104 106.3(7) . . ? B110 B102 Sn3 118.1(7) . . ? B108 B102 Sn3 116.9(7) . . ? B101 B102 Sn3 65.6(4) . . ? B104 B102 Sn3 65.5(4) . . ? B110 B102 H102 120.3(5) . . ? B108 B102 H102 121.3(5) . . ? B101 B102 H102 123.4(5) . . ? B104 B102 H102 124.0(5) . . ? Sn3 B102 H102 111.2(3) . . ? B109 B103 B107 60.7(6) . . ? B109 B103 B101 59.1(6) . . ? B107 B103 B101 106.9(7) . . ? B109 B103 B105 106.4(7) . . ? B107 B103 B105 57.3(6) . . ? B101 B103 B105 107.2(7) . . ? B109 B103 Sn3 117.8(7) . . ? B107 B103 Sn3 116.9(6) . . ? B101 B103 Sn3 65.1(4) . . ? B105 B103 Sn3 66.0(4) . . ? B109 B103 H103 120.3(5) . . ? B107 B103 H103 121.2(5) . . ? B101 B103 H103 122.9(5) . . ? B105 B103 H103 123.5(5) . . ? Sn3 B103 H103 111.5(2) . . ? B106 B104 B108 59.1(6) . . ? B106 B104 B105 59.3(6) . . ? B108 B104 B105 106.3(7) . . ? B106 B104 B102 106.1(7) . . ? B108 B104 B102 57.7(5) . . ? B105 B104 B102 108.7(7) . . ? B106 B104 Sn3 120.2(6) . . ? B108 B104 Sn3 117.7(6) . . ? B105 B104 Sn3 67.7(4) . . ? B102 B104 Sn3 66.2(4) . . ? B106 B104 H104 120.6(5) . . ? B108 B104 H104 122.1(4) . . ? B105 B104 H104 121.8(4) . . ? B102 B104 H104 123.2(5) . . ? Sn3 B104 H104 109.5(2) . . ? B107 B105 B106 60.2(6) . . ? B107 B105 B104 107.1(7) . . ? B106 B105 B104 58.6(6) . . ? B107 B105 B103 58.0(6) . . ? B106 B105 B103 106.7(7) . . ? B104 B105 B103 109.1(7) . . ? B107 B105 Sn3 118.4(7) . . ? B106 B105 Sn3 118.2(7) . . ? B104 B105 Sn3 66.2(4) . . ? B103 B105 Sn3 67.0(5) . . ? B107 B105 H105 120.9(5) . . ? B106 B105 H105 121.0(5) . . ? B104 B105 H105 122.2(5) . . ? B103 B105 H105 122.3(5) . . ? Sn3 B105 H105 110.3(2) . . ? B108 B106 B111 60.6(6) . . ? B108 B106 B104 60.6(6) . . ? B111 B106 B104 109.7(8) . . ? B108 B106 B107 108.0(8) . . ? B111 B106 B107 59.5(6) . . ? B104 B106 B107 109.1(7) . . ? B108 B106 B105 109.6(7) . . ? B111 B106 B105 108.0(8) . . ? B104 B106 B105 62.1(6) . . ? B107 B106 B105 59.1(6) . . ? B108 B106 H106 121.1(5) . . ? B111 B106 H106 121.5(4) . . ? B104 B106 H106 120.0(5) . . ? B107 B106 H106 122.3(5) . . ? B105 B106 H106 121.1(5) . . ? B111 B107 B105 109.7(8) . . ? B111 B107 B103 109.3(8) . . ? B105 B107 B103 64.7(6) . . ? B111 B107 B106 59.9(6) . . ? B105 B107 B106 60.7(6) . . ? B103 B107 B106 112.4(7) . . ? B111 B107 B109 60.2(5) . . ? B105 B107 B109 111.1(7) . . ? B103 B107 B109 59.3(6) . . ? B106 B107 B109 108.9(8) . . ? B111 B107 H107 121.8(5) . . ? B105 B107 H107 118.9(5) . . ? B103 B107 H107 119.0(5) . . ? B106 B107 H107 120.6(5) . . ? B109 B107 H107 121.6(5) . . ? B106 B108 B111 60.0(6) . . ? B106 B108 B104 60.3(6) . . ? B111 B108 B104 109.0(7) . . ? B106 B108 B102 112.9(7) . . ? B111 B108 B102 109.4(7) . . ? B104 B108 B102 65.0(6) . . ? B106 B108 B110 109.6(8) . . ? B111 B108 B110 60.6(6) . . ? B104 B108 B110 110.8(7) . . ? B102 B108 B110 59.0(6) . . ? B106 B108 H108 120.2(5) . . ? B111 B108 H108 121.9(4) . . ? B104 B108 H108 119.3(4) . . ? B102 B108 H108 118.8(5) . . ? B110 B108 H108 121.4(5) . . ? B103 B109 B111 109.1(7) . . ? B103 B109 B107 60.0(6) . . ? B111 B109 B107 59.2(6) . . ? B103 B109 B101 63.9(6) . . ? B111 B109 B101 108.7(7) . . ? B107 B109 B101 110.1(7) . . ? B103 B109 B110 110.3(7) . . ? B111 B109 B110 59.9(6) . . ? B107 B109 B110 107.0(7) . . ? B101 B109 B110 59.2(6) . . ? B103 B109 H109 119.4(5) . . ? B111 B109 H109 122.0(4) . . ? B107 B109 H109 122.2(5) . . ? B101 B109 H109 119.9(5) . . ? B110 B109 H109 122.1(5) . . ? B102 B110 B101 64.5(6) . . ? B102 B110 B108 60.3(6) . . ? B101 B110 B108 110.3(7) . . ? B102 B110 B111 109.3(8) . . ? B101 B110 B111 108.0(7) . . ? B108 B110 B111 59.2(6) . . ? B102 B110 B109 111.1(7) . . ? B101 B110 B109 59.6(6) . . ? B108 B110 B109 106.4(8) . . ? B111 B110 B109 58.7(5) . . ? B102 B110 H110 118.6(5) . . ? B101 B110 H110 119.7(5) . . ? B108 B110 H110 122.2(5) . . ? B111 B110 H110 122.6(4) . . ? B109 B110 H110 122.4(5) . . ? B107 B111 B106 60.6(6) . . ? B107 B111 B108 107.8(7) . . ? B106 B111 B108 59.3(6) . . ? B107 B111 B109 60.6(6) . . ? B106 B111 B109 109.8(7) . . ? B108 B111 B109 109.3(7) . . ? B107 B111 B110 109.3(7) . . ? B106 B111 B110 108.6(7) . . ? B108 B111 B110 60.1(6) . . ? B109 B111 B110 61.4(6) . . ? B107 B111 H111 121.3(5) . . ? B106 B111 H111 121.3(4) . . ? B108 B111 H111 122.0(4) . . ? B109 B111 H111 120.2(5) . . ? B110 B111 H111 120.9(4) . . ? B203 Sn2 B201 47.8(4) . . ? B203 Sn2 B205 47.9(3) . . ? B201 Sn2 B205 81.7(4) . . ? B203 Sn2 B204 81.8(3) . . ? B201 Sn2 B204 81.6(3) . . ? B205 Sn2 B204 47.4(3) . . ? B203 Sn2 B202 82.2(4) . . ? B201 Sn2 B202 48.1(3) . . ? B205 Sn2 B202 81.3(4) . . ? B204 Sn2 B202 47.2(4) . . ? B203 Sn2 Au3 143.3(3) . . ? B201 Sn2 Au3 165.9(3) . . ? B205 Sn2 Au3 112.4(2) . . ? B204 Sn2 Au3 106.7(2) . . ? B202 Sn2 Au3 130.1(2) . . ? B203 Sn2 Au1 102.6(2) . . ? B201 Sn2 Au1 114.4(3) . . ? B205 Sn2 Au1 123.8(3) . . ? B204 Sn2 Au1 162.0(3) . . ? B202 Sn2 Au1 150.1(3) . . ? Au3 Sn2 Au1 59.61(2) . . ? B203 Sn2 Au2 137.0(3) . . ? B201 Sn2 Au2 105.9(3) . . ? B205 Sn2 Au2 172.4(3) . . ? B204 Sn2 Au2 133.8(2) . . ? B202 Sn2 Au2 104.5(2) . . ? Au3 Sn2 Au2 60.13(2) . . ? Au1 Sn2 Au2 52.310(13) . . ? B209 B201 B210 61.1(5) . . ? B209 B201 B203 57.7(5) . . ? B210 B201 B203 107.0(7) . . ? B209 B201 B202 106.3(6) . . ? B210 B201 B202 57.3(5) . . ? B203 B201 B202 108.1(6) . . ? B209 B201 Sn2 117.2(6) . . ? B210 B201 Sn2 117.5(6) . . ? B203 B201 Sn2 65.9(4) . . ? B202 B201 Sn2 66.5(4) . . ? B209 B201 H201 121.2(4) . . ? B210 B201 H201 120.8(5) . . ? B203 B201 H201 122.8(4) . . ? B202 B201 H201 123.0(4) . . ? Sn2 B201 H201 111.0(2) . . ? B208 B202 B210 61.1(6) . . ? B208 B202 B204 57.8(5) . . ? B210 B202 B204 106.6(7) . . ? B208 B202 B201 106.1(6) . . ? B210 B202 B201 57.2(5) . . ? B204 B202 B201 107.4(7) . . ? B208 B202 Sn2 117.4(6) . . ? B210 B202 Sn2 116.4(6) . . ? B204 B202 Sn2 66.2(4) . . ? B201 B202 Sn2 65.4(4) . . ? B208 B202 H202 120.8(5) . . ? B210 B202 H202 121.3(5) . . ? B204 B202 H202 122.8(4) . . ? B201 B202 H202 123.6(4) . . ? Sn2 B202 H202 111.5(2) . . ? B209 B203 B207 60.6(5) . . ? B209 B203 B201 57.6(6) . . ? B207 B203 B201 106.2(7) . . ? B209 B203 B205 105.9(6) . . ? B207 B203 B205 57.3(5) . . ? B201 B203 B205 107.6(7) . . ? B209 B203 Sn2 117.4(6) . . ? B207 B203 Sn2 117.2(6) . . ? B201 B203 Sn2 66.3(4) . . ? B205 B203 Sn2 66.2(4) . . ? B209 B203 H203 121.3(4) . . ? B207 B203 H203 121.4(5) . . ? B201 B203 H203 123.0(4) . . ? B205 B203 H203 123.3(5) . . ? Sn2 B203 H203 110.9(3) . . ? B208 B204 B206 60.7(6) . . ? B208 B204 B205 106.8(6) . . ? B206 B204 B205 58.7(5) . . ? B208 B204 B202 56.9(6) . . ? B206 B204 B202 106.6(7) . . ? B205 B204 B202 108.5(6) . . ? B208 B204 Sn2 116.8(6) . . ? B206 B204 Sn2 118.1(5) . . ? B205 B204 Sn2 65.9(4) . . ? B202 B204 Sn2 66.5(4) . . ? B208 B204 H204 121.6(4) . . ? B206 B204 H204 120.5(5) . . ? B205 B204 H204 122.3(4) . . ? B202 B204 H204 122.9(4) . . ? Sn2 B204 H204 111.0(2) . . ? B207 B205 B206 60.7(5) . . ? B207 B205 B204 106.6(7) . . ? B206 B205 B204 57.8(5) . . ? B207 B205 B203 57.9(5) . . ? B206 B205 B203 106.9(7) . . ? B204 B205 B203 108.4(7) . . ? B207 B205 Sn2 117.5(6) . . ? B206 B205 Sn2 118.0(6) . . ? B204 B205 Sn2 66.7(4) . . ? B203 B205 Sn2 65.9(4) . . ? B207 B205 H205 121.1(5) . . ? B206 B205 H205 120.8(5) . . ? B204 B205 H205 122.6(4) . . ? B203 B205 H205 122.8(5) . . ? Sn2 B205 H205 110.8(3) . . ? B204 B206 B208 59.0(6) . . ? B204 B206 B211 108.6(8) . . ? B208 B206 B211 60.0(6) . . ? B204 B206 B205 63.5(5) . . ? B208 B206 B205 109.2(7) . . ? B211 B206 B205 108.4(7) . . ? B204 B206 B207 109.5(6) . . ? B208 B206 B207 107.7(8) . . ? B211 B206 B207 60.5(6) . . ? B205 B206 B207 58.6(5) . . ? B204 B206 H206 120.2(5) . . ? B208 B206 H206 122.2(5) . . ? B211 B206 H206 121.5(4) . . ? B205 B206 H206 120.6(5) . . ? B207 B206 H206 122.0(5) . . ? B205 B207 B203 64.8(5) . . ? B205 B207 B209 111.0(7) . . ? B203 B207 B209 59.6(6) . . ? B205 B207 B206 60.6(5) . . ? B203 B207 B206 112.2(6) . . ? B209 B207 B206 107.9(7) . . ? B205 B207 B211 109.4(7) . . ? B203 B207 B211 109.0(7) . . ? B209 B207 B211 59.4(6) . . ? B206 B207 B211 59.6(6) . . ? B205 B207 H207 118.8(5) . . ? B203 B207 H207 118.9(5) . . ? B209 B207 H207 122.1(4) . . ? B206 B207 H207 121.0(5) . . ? B211 B207 H207 122.2(4) . . ? B202 B208 B204 65.3(6) . . ? B202 B208 B210 60.4(6) . . ? B204 B208 B210 111.8(7) . . ? B202 B208 B206 112.9(7) . . ? B204 B208 B206 60.3(6) . . ? B210 B208 B206 108.5(7) . . ? B202 B208 B211 110.1(7) . . ? B204 B208 B211 109.9(7) . . ? B210 B208 B211 59.5(6) . . ? B206 B208 B211 60.2(6) . . ? B202 B208 H208 118.0(5) . . ? B204 B208 H208 118.6(4) . . ? B210 B208 H208 121.5(5) . . ? B206 B208 H208 120.8(5) . . ? B211 B208 H208 121.7(5) . . ? B201 B209 B203 64.7(6) . . ? B201 B209 B211 109.2(6) . . ? B203 B209 B211 110.5(7) . . ? B201 B209 B207 111.2(7) . . ? B203 B209 B207 59.8(6) . . ? B211 B209 B207 60.9(6) . . ? B201 B209 B210 59.5(5) . . ? B203 B209 B210 111.2(6) . . ? B211 B209 B210 59.4(5) . . ? B207 B209 B210 108.1(7) . . ? B201 B209 H209 119.4(4) . . ? B203 B209 H209 118.7(4) . . ? B211 B209 H209 121.2(4) . . ? B207 B209 H209 121.2(4) . . ? B210 B209 H209 122.0(5) . . ? B201 B210 B202 65.5(6) . . ? B201 B210 B211 109.5(8) . . ? B202 B210 B211 109.4(7) . . ? B201 B210 B208 110.7(7) . . ? B202 B210 B208 58.6(5) . . ? B211 B210 B208 60.4(6) . . ? B201 B210 B209 59.4(6) . . ? B202 B210 B209 111.3(7) . . ? B211 B210 B209 59.9(5) . . ? B208 B210 B209 107.7(7) . . ? B201 B210 H210 119.0(5) . . ? B202 B210 H210 119.1(5) . . ? B211 B210 H210 121.4(5) . . ? B208 B210 H210 122.1(5) . . ? B209 B210 H210 121.8(5) . . ? B210 B211 B209 60.7(6) . . ? B210 B211 B208 60.1(6) . . ? B209 B211 B208 108.1(7) . . ? B210 B211 B206 108.7(7) . . ? B209 B211 B206 108.3(7) . . ? B208 B211 B206 59.8(6) . . ? B210 B211 B207 108.2(7) . . ? B209 B211 B207 59.7(5) . . ? B208 B211 B207 107.1(7) . . ? B206 B211 B207 59.9(6) . . ? B210 B211 H211 121.1(5) . . ? B209 B211 H211 121.4(4) . . ? B208 B211 H211 122.1(5) . . ? B206 B211 H211 121.4(4) . . ? B207 B211 H211 122.2(4) . . ? B101 Sn3 B104 81.7(4) . . ? B101 Sn3 B102 47.8(4) . . ? B104 Sn3 B102 48.3(4) . . ? B101 Sn3 B105 80.8(4) . . ? B104 Sn3 B105 46.1(4) . . ? B102 Sn3 B105 80.9(4) . . ? B101 Sn3 B103 47.2(4) . . ? B104 Sn3 B103 80.3(4) . . ? B102 Sn3 B103 81.1(4) . . ? B105 Sn3 B103 47.1(4) . . ? B101 Sn3 Au3 164.0(3) . . ? B104 Sn3 Au3 108.6(2) . . ? B102 Sn3 Au3 130.6(3) . . ? B105 Sn3 Au3 115.3(3) . . ? B103 Sn3 Au3 144.9(3) . . ? B101 Sn3 Au1 110.6(3) . . ? B104 Sn3 Au1 167.2(2) . . ? B102 Sn3 Au1 138.0(3) . . ? B105 Sn3 Au1 137.1(3) . . ? B103 Sn3 Au1 110.5(2) . . ? Au3 Sn3 Au1 58.650(15) . . ? B101 Sn3 Au2 105.4(3) . . ? B104 Sn3 Au2 123.9(3) . . ? B102 Sn3 Au2 95.7(3) . . ? B105 Sn3 Au2 168.2(3) . . ? B103 Sn3 Au2 143.8(3) . . ? Au3 Sn3 Au2 58.78(2) . . ? Au1 Sn3 Au2 50.712(14) . . ? B307 B301 B306 60.8(6) . . ? B307 B301 B305 106.9(7) . . ? B306 B301 B305 58.0(6) . . ? B307 B301 B302 57.3(5) . . ? B306 B301 B302 105.7(7) . . ? B305 B301 B302 107.5(6) . . ? B307 B301 Sn1 118.6(6) . . ? B306 B301 Sn1 118.8(6) . . ? B305 B301 Sn1 66.9(4) . . ? B302 B301 Sn1 66.8(4) . . ? B307 B301 H301 120.8(4) . . ? B306 B301 H301 121.0(4) . . ? B305 B301 H301 122.7(4) . . ? B302 B301 H301 123.7(4) . . ? Sn1 B301 H301 109.6(2) . . ? B308 B302 B307 61.7(6) . . ? B308 B302 B303 58.9(5) . . ? B307 B302 B303 108.9(7) . . ? B308 B302 B301 107.8(7) . . ? B307 B302 B301 58.5(6) . . ? B303 B302 B301 108.8(7) . . ? B308 B302 Sn1 119.3(6) . . ? B307 B302 Sn1 119.1(6) . . ? B303 B302 Sn1 66.6(4) . . ? B301 B302 Sn1 66.1(4) . . ? B308 B302 H302 119.8(5) . . ? B307 B302 H302 119.6(5) . . ? B303 B302 H302 121.8(5) . . ? B301 B302 H302 122.7(4) . . ? Sn1 B302 H302 110.1(3) . . ? B308 B303 B309 60.4(6) . . ? B308 B303 B302 57.6(5) . . ? B309 B303 B302 105.9(7) . . ? B308 B303 B304 106.9(7) . . ? B309 B303 B304 57.8(6) . . ? B302 B303 B304 108.6(6) . . ? B308 B303 Sn1 118.4(6) . . ? B309 B303 Sn1 118.0(6) . . ? B302 B303 Sn1 66.8(4) . . ? B304 B303 Sn1 66.7(4) . . ? B308 B303 H303 120.9(4) . . ? B309 B303 H303 121.5(4) . . ? B302 B303 H303 122.9(5) . . ? B304 B303 H303 122.4(4) . . ? Sn1 B303 H303 110.1(2) . . ? B309 B304 B310 60.6(6) . . ? B309 B304 B305 104.8(6) . . ? B310 B304 B305 57.0(5) . . ? B309 B304 B303 57.5(6) . . ? B310 B304 B303 105.9(7) . . ? B305 B304 B303 106.1(7) . . ? B309 B304 Sn1 116.7(6) . . ? B310 B304 Sn1 117.0(6) . . ? B305 B304 Sn1 66.0(4) . . ? B303 B304 Sn1 65.6(4) . . ? B309 B304 H304 121.7(5) . . ? B310 B304 H304 121.2(5) . . ? B305 B304 H304 124.2(5) . . ? B303 B304 H304 123.7(4) . . ? Sn1 B304 H304 111.3(2) . . ? B310 B305 B306 61.2(6) . . ? B310 B305 B301 107.9(7) . . ? B306 B305 B301 58.4(6) . . ? B310 B305 B304 58.8(6) . . ? B306 B305 B304 107.8(7) . . ? B301 B305 B304 108.9(6) . . ? B310 B305 Sn1 119.2(6) . . ? B306 B305 Sn1 118.4(6) . . ? B301 B305 Sn1 66.1(4) . . ? B304 B305 Sn1 66.6(4) . . ? B310 B305 H305 119.9(5) . . ? B306 B305 H305 120.4(4) . . ? B301 B305 H305 122.4(4) . . ? B304 B305 H305 122.1(5) . . ? Sn1 B305 H305 110.3(2) . . ? B305 B306 B301 63.6(6) . . ? B305 B306 B311 108.7(7) . . ? B301 B306 B311 109.8(7) . . ? B305 B306 B307 110.2(7) . . ? B301 B306 B307 59.4(6) . . ? B311 B306 B307 61.3(6) . . ? B305 B306 B310 59.3(6) . . ? B301 B306 B310 110.5(7) . . ? B311 B306 B310 59.9(6) . . ? B307 B306 B310 109.1(7) . . ? B305 B306 H306 120.3(4) . . ? B301 B306 H306 119.7(4) . . ? B311 B306 H306 121.2(4) . . ? B307 B306 H306 121.0(5) . . ? B310 B306 H306 121.5(5) . . ? B302 B307 B301 64.3(6) . . ? B302 B307 B308 59.1(6) . . ? B301 B307 B308 110.3(7) . . ? B302 B307 B306 110.4(7) . . ? B301 B307 B306 59.8(6) . . ? B308 B307 B306 107.1(7) . . ? B302 B307 B311 108.0(7) . . ? B301 B307 B311 108.3(7) . . ? B308 B307 B311 59.6(5) . . ? B306 B307 B311 59.0(6) . . ? B302 B307 H307 119.8(5) . . ? B301 B307 H307 119.5(4) . . ? B308 B307 H307 122.1(5) . . ? B306 B307 H307 122.0(5) . . ? B311 B307 H307 122.6(4) . . ? B302 B308 B303 63.5(6) . . ? B302 B308 B309 110.1(7) . . ? B303 B308 B309 59.8(5) . . ? B302 B308 B307 59.1(6) . . ? B303 B308 B307 110.5(7) . . ? B309 B308 B307 108.6(7) . . ? B302 B308 B311 109.3(7) . . ? B303 B308 B311 109.4(7) . . ? B309 B308 B311 59.8(5) . . ? B307 B308 B311 61.1(6) . . ? B302 B308 H308 120.2(5) . . ? B303 B308 H308 119.7(4) . . ? B309 B308 H308 121.7(5) . . ? B307 B308 H308 121.2(5) . . ? B311 B308 H308 121.2(4) . . ? B303 B309 B304 64.7(6) . . ? B303 B309 B311 109.9(7) . . ? B304 B309 B311 110.3(7) . . ? B303 B309 B308 59.8(6) . . ? B304 B309 B308 111.9(7) . . ? B311 B309 B308 60.5(6) . . ? B303 B309 B310 111.4(7) . . ? B304 B309 B310 60.3(6) . . ? B311 B309 B310 59.8(5) . . ? B308 B309 B310 108.4(7) . . ? B303 B309 H309 119.1(4) . . ? B304 B309 H309 118.5(5) . . ? B311 B309 H309 121.3(5) . . ? B308 B309 H309 121.2(5) . . ? B310 B309 H309 121.5(5) . . ? B305 B310 B311 108.6(7) . . ? B305 B310 B304 64.2(5) . . ? B311 B310 B304 109.1(8) . . ? B305 B310 B306 59.5(6) . . ? B311 B310 B306 59.6(5) . . ? B304 B310 B306 110.8(7) . . ? B305 B310 B309 109.3(7) . . ? B311 B310 B309 59.5(5) . . ? B304 B310 B309 59.1(6) . . ? B306 B310 B309 106.7(8) . . ? B305 B310 H310 120.0(5) . . ? B311 B310 H310 121.9(5) . . ? B304 B310 H310 119.3(5) . . ? B306 B310 H310 122.0(5) . . ? B309 B310 H310 122.8(5) . . ? B306 B311 B309 108.3(7) . . ? B306 B311 B310 60.5(6) . . ? B309 B311 B310 60.7(6) . . ? B306 B311 B308 107.5(7) . . ? B309 B311 B308 59.7(6) . . ? B310 B311 B308 108.5(7) . . ? B306 B311 B307 59.7(6) . . ? B309 B311 B307 107.2(7) . . ? B310 B311 B307 108.2(7) . . ? B308 B311 B307 59.4(6) . . ? B306 B311 H311 121.8(4) . . ? B309 B311 H311 121.8(5) . . ? B310 B311 H311 120.9(5) . . ? B308 B311 H311 122.0(4) . . ? B307 B311 H311 122.3(4) . . ? C7 P1 C9 105.1(4) . . ? C7 P1 C11 105.8(4) . . ? C9 P1 C11 106.1(4) . . ? C7 P1 Au1 113.1(3) . . ? C9 P1 Au1 113.3(3) . . ? C11 P1 Au1 112.8(3) . . ? C2 C1 P3 116.6(7) . . ? C2 C1 H1A 108.1(6) . . ? P3 C1 H1A 108.1(3) . . ? C2 C1 H1B 108.1(6) . . ? P3 C1 H1B 108.1(3) . . ? H1A C1 H1B 107.3 . . ? C1 C2 H2A 109.5(5) . . ? C1 C2 H2B 109.5(5) . . ? H2A C2 H2B 109.5 . . ? C1 C2 H2C 109.5(6) . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? C4 C3 P3 112.2(9) . . ? C4 C3 H3A 109.2(7) . . ? P3 C3 H3A 109.2(4) . . ? C4 C3 H3B 109.2(9) . . ? P3 C3 H3B 109.2(4) . . ? H3A C3 H3B 107.9 . . ? C3 C4 H4A 109.5(8) . . ? C3 C4 H4B 109.5(9) . . ? H4A C4 H4B 109.5 . . ? C3 C4 H4C 109.5(7) . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? C6 C5 P3 113.9(7) . . ? C6 C5 H5A 108.8(6) . . ? P3 C5 H5A 108.8(3) . . ? C6 C5 H5B 108.8(6) . . ? P3 C5 H5B 108.8(3) . . ? H5A C5 H5B 107.7 . . ? C5 C6 H6A 109.5(5) . . ? C5 C6 H6B 109.5(6) . . ? H6A C6 H6B 109.5 . . ? C5 C6 H6C 109.5(6) . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C13 P2 C17 105.5(4) . . ? C13 P2 C15 109.6(5) . . ? C17 P2 C15 100.3(5) . . ? C13 P2 Au2 111.9(3) . . ? C17 P2 Au2 117.2(4) . . ? C15 P2 Au2 111.6(3) . . ? C8 C7 P1 113.4(5) . . ? C8 C7 H7A 108.9(5) . . ? P1 C7 H7A 108.9(3) . . ? C8 C7 H7B 108.9(5) . . ? P1 C7 H7B 108.9(3) . . ? H7A C7 H7B 107.7 . . ? C7 C8 H8A 109.5(4) . . ? C7 C8 H8B 109.5(5) . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5(5) . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C10 C9 P1 112.8(6) . . ? C10 C9 H9A 109.0(5) . . ? P1 C9 H9A 109.0(2) . . ? C10 C9 H9B 109.0(4) . . ? P1 C9 H9B 109.0(2) . . ? H9A C9 H9B 107.8 . . ? C9 C10 H10A 109.5(5) . . ? C9 C10 H10B 109.5(4) . . ? H10A C10 H10B 109.5 . . ? C9 C10 H10C 109.5(5) . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C12 C11 P1 115.0(6) . . ? C12 C11 H11A 108.5(5) . . ? P1 C11 H11A 108.5(3) . . ? C12 C11 H11B 108.5(4) . . ? P1 C11 H11B 108.5(3) . . ? H11A C11 H11B 107.5 . . ? C11 C12 H12A 109.5(5) . . ? C11 C12 H12B 109.5(4) . . ? H12A C12 H12B 109.5 . . ? C11 C12 H12C 109.5(5) . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C5 P3 C1 105.5(5) . . ? C5 P3 C3 109.3(5) . . ? C1 P3 C3 102.7(5) . . ? C5 P3 Au3 112.4(4) . . ? C1 P3 Au3 114.0(3) . . ? C3 P3 Au3 112.4(4) . . ? C14 C13 P2 115.4(8) . . ? C14 C13 H13A 108.4(6) . . ? P2 C13 H13A 108.4(3) . . ? C14 C13 H13B 108.4(7) . . ? P2 C13 H13B 108.4(4) . . ? H13A C13 H13B 107.5 . . ? C13 C14 H14A 109.5(6) . . ? C13 C14 H14B 109.5(7) . . ? H14A C14 H14B 109.5 . . ? C13 C14 H14C 109.5(6) . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C16 C15 P2 115.0(7) . . ? C16 C15 H15A 108.5(6) . . ? P2 C15 H15A 108.5(3) . . ? C16 C15 H15B 108.5(6) . . ? P2 C15 H15B 108.5(3) . . ? H15A C15 H15B 107.5 . . ? C15 C16 H16A 109.5(6) . . ? C15 C16 H16B 109.5(6) . . ? H16A C16 H16B 109.5 . . ? C15 C16 H16C 109.5(6) . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C18 C17 P2 113.2(7) . . ? C18 C17 H17A 108.9(6) . . ? P2 C17 H17A 108.9(3) . . ? C18 C17 H17B 108.9(6) . . ? P2 C17 H17B 108.9(4) . . ? H17A C17 H17B 107.8 . . ? C17 C18 H18A 109.5(5) . . ? C17 C18 H18B 109.5(6) . . ? H18A C18 H18B 109.5 . . ? C17 C18 H18C 109.5(6) . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C19 N1 C23 110.8(7) . . ? C19 N1 C27 108.9(7) . . ? C23 N1 C27 111.8(7) . . ? C19 N1 H1 108.4(5) . . ? C23 N1 H1 108.4(5) . . ? C27 N1 H1 108.4(4) . . ? N1 C19 C20 111.9(8) . . ? N1 C19 H19A 109.2(5) . . ? C20 C19 H19A 109.2(5) . . ? N1 C19 H19B 109.2(5) . . ? C20 C19 H19B 109.2(5) . . ? H19A C19 H19B 107.9 . . ? C19 C20 C21 108.7(8) . . ? C19 C20 H20A 110.0(5) . . ? C21 C20 H20A 110.0(5) . . ? C19 C20 H20B 110.0(5) . . ? C21 C20 H20B 110.0(6) . . ? H20A C20 H20B 108.3 . . ? C22 C21 C20 114.6(8) . . ? C22 C21 H21A 108.6(6) . . ? C20 C21 H21A 108.6(6) . . ? C22 C21 H21B 108.6(6) . . ? C20 C21 H21B 108.6(6) . . ? H21A C21 H21B 107.6 . . ? C21 C22 H22A 109.5(6) . . ? C21 C22 H22B 109.5(7) . . ? H22A C22 H22B 109.5 . . ? C21 C22 H22C 109.5(6) . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? N1 C23 C24 114.2(7) . . ? N1 C23 H23A 108.7(5) . . ? C24 C23 H23A 108.7(5) . . ? N1 C23 H23B 108.7(5) . . ? C24 C23 H23B 108.7(6) . . ? H23A C23 H23B 107.6 . . ? C23 C24 C25 110.7(8) . . ? C23 C24 H24A 109.5(5) . . ? C25 C24 H24A 109.5(5) . . ? C23 C24 H24B 109.5(6) . . ? C25 C24 H24B 109.5(6) . . ? H24A C24 H24B 108.1 . . ? C26 C25 C24 112.3(8) . . ? C26 C25 H25A 109.1(6) . . ? C24 C25 H25A 109.1(6) . . ? C26 C25 H25B 109.1(6) . . ? C24 C25 H25B 109.1(5) . . ? H25A C25 H25B 107.9 . . ? C25 C26 H26A 109.5(6) . . ? C25 C26 H26B 109.5(6) . . ? H26A C26 H26B 109.5 . . ? C25 C26 H26C 109.5(6) . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C28 C27 N1 113.8(7) . . ? C28 C27 H27A 108.8(5) . . ? N1 C27 H27A 108.8(4) . . ? C28 C27 H27B 108.8(5) . . ? N1 C27 H27B 108.8(4) . . ? H27A C27 H27B 107.7 . . ? C27 C28 C29 110.0(8) . . ? C27 C28 H28A 109.7(5) . . ? C29 C28 H28A 109.7(4) . . ? C27 C28 H28B 109.7(5) . . ? C29 C28 H28B 109.7(6) . . ? H28A C28 H28B 108.2 . . ? C28 C29 C30 106.8(9) . . ? C28 C29 H29A 110.4(4) . . ? C30 C29 H29A 110.4(5) . . ? C28 C29 H29B 110.4(6) . . ? C30 C29 H29B 110.4(7) . . ? H29A C29 H29B 108.6 . . ? C29 C30 H30A 109.5(6) . . ? C29 C30 H30B 109.5(5) . . ? H30A C30 H30B 109.5 . . ? C29 C30 H30C 109.5(7) . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C39 N2 C31 112.9(8) . . ? C39 N2 C35 114.4(8) . . ? C31 N2 C35 111.4(7) . . ? C39 N2 H2 105.8(5) . . ? C31 N2 H2 105.8(5) . . ? C35 N2 H2 105.8(5) . . ? C32 C31 N2 114.2(8) . . ? C32 C31 H31A 108.7(6) . . ? N2 C31 H31A 108.7(4) . . ? C32 C31 H31B 108.7(6) . . ? N2 C31 H31B 108.7(5) . . ? H31A C31 H31B 107.6 . . ? C33 C32 C31 111.6(9) . . ? C33 C32 H32A 109.3(6) . . ? C31 C32 H32A 109.3(6) . . ? C33 C32 H32B 109.3(7) . . ? C31 C32 H32B 109.3(6) . . ? H32A C32 H32B 108.0 . . ? C34 C33 C32 112.7(10) . . ? C34 C33 H33A 109.1(8) . . ? C32 C33 H33A 109.1(7) . . ? C34 C33 H33B 109.1(8) . . ? C32 C33 H33B 109.1(7) . . ? H33A C33 H33B 107.8 . . ? C33 C34 H34A 109.5(6) . . ? C33 C34 H34B 109.5(8) . . ? H34A C34 H34B 109.5 . . ? C33 C34 H34C 109.5(8) . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C36 C35 N2 110.3(7) . . ? C36 C35 H35A 109.6(6) . . ? N2 C35 H35A 109.6(5) . . ? C36 C35 H35B 109.6(6) . . ? N2 C35 H35B 109.6(5) . . ? H35A C35 H35B 108.1 . . ? C35 C36 C37 113.6(9) . . ? C35 C36 H36A 108.8(5) . . ? C37 C36 H36A 108.8(6) . . ? C35 C36 H36B 108.8(6) . . ? C37 C36 H36B 108.8(7) . . ? H36A C36 H36B 107.7 . . ? C36 C37 C38 113.3(9) . . ? C36 C37 H37A 108.9(6) . . ? C38 C37 H37A 108.9(6) . . ? C36 C37 H37B 108.9(7) . . ? C38 C37 H37B 108.9(7) . . ? H37A C37 H37B 107.7 . . ? C37 C38 H38A 109.5(6) . . ? C37 C38 H38B 109.5(6) . . ? H38A C38 H38B 109.5 . . ? C37 C38 H38C 109.5(7) . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? N2 C39 C40 113.5(9) . . ? N2 C39 H39A 108.9(5) . . ? C40 C39 H39A 108.9(7) . . ? N2 C39 H39B 108.9(5) . . ? C40 C39 H39B 108.9(6) . . ? H39A C39 H39B 107.7 . . ? C39 C40 C41 109.6(10) . . ? C39 C40 H40A 109.7(7) . . ? C41 C40 H40A 109.7(7) . . ? C39 C40 H40B 109.7(6) . . ? C41 C40 H40B 109.7(6) . . ? H40A C40 H40B 108.2 . . ? C42 C41 C40 111.8(12) . . ? C42 C41 H41A 109.3(7) . . ? C40 C41 H41A 109.3(6) . . ? C42 C41 H41B 109.3(8) . . ? C40 C41 H41B 109.3(7) . . ? H41A C41 H41B 107.9 . . ? C41 C42 H42A 109.5(8) . . ? C41 C42 H42B 109.5(8) . . ? H42A C42 H42B 109.5 . . ? C41 C42 H42C 109.5(7) . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? C47 N3 C51 115.6(6) . . ? C47 N3 C43 109.0(6) . . ? C51 N3 C43 113.8(6) . . ? C47 N3 H3 105.8(4) . . ? C51 N3 H3 105.8(4) . . ? C43 N3 H3 105.8(4) . . ? C44 C43 N3 113.5(7) . . ? C44 C43 H43A 108.9(5) . . ? N3 C43 H43A 108.9(4) . . ? C44 C43 H43B 108.9(5) . . ? N3 C43 H43B 108.9(4) . . ? H43A C43 H43B 107.7 . . ? C43 C44 C45 109.0(7) . . ? C43 C44 H44A 109.9(5) . . ? C45 C44 H44A 109.9(4) . . ? C43 C44 H44B 109.9(5) . . ? C45 C44 H44B 109.9(5) . . ? H44A C44 H44B 108.3 . . ? C46 C45 C44 114.6(8) . . ? C46 C45 H45A 108.6(5) . . ? C44 C45 H45A 108.6(5) . . ? C46 C45 H45B 108.6(5) . . ? C44 C45 H45B 108.6(4) . . ? H45A C45 H45B 107.6 . . ? C45 C46 H46A 109.5(6) . . ? C45 C46 H46B 109.5(5) . . ? H46A C46 H46B 109.5 . . ? C45 C46 H46C 109.5(5) . . ? H46A C46 H46C 109.5 . . ? H46B C46 H46C 109.5 . . ? N3 C47 C48 114.4(7) . . ? N3 C47 H47A 108.6(4) . . ? C48 C47 H47A 108.6(5) . . ? N3 C47 H47B 108.6(4) . . ? C48 C47 H47B 108.6(5) . . ? H47A C47 H47B 107.6 . . ? C47 C48 C49 110.3(7) . . ? C47 C48 H48A 109.6(5) . . ? C49 C48 H48A 109.6(5) . . ? C47 C48 H48B 109.6(4) . . ? C49 C48 H48B 109.6(5) . . ? H48A C48 H48B 108.1 . . ? C48 C49 C50 112.2(8) . . ? C48 C49 H49A 109.2(5) . . ? C50 C49 H49A 109.2(5) . . ? C48 C49 H49B 109.2(5) . . ? C50 C49 H49B 109.2(5) . . ? H49A C49 H49B 107.9 . . ? C49 C50 H50A 109.5(5) . . ? C49 C50 H50B 109.5(5) . . ? H50A C50 H50B 109.5 . . ? C49 C50 H50C 109.5(5) . . ? H50A C50 H50C 109.5 . . ? H50B C50 H50C 109.5 . . ? N3 C51 C52 114.4(7) . . ? N3 C51 H51A 108.7(4) . . ? C52 C51 H51A 108.7(5) . . ? N3 C51 H51B 108.7(4) . . ? C52 C51 H51B 108.7(5) . . ? H51A C51 H51B 107.6 . . ? C51 C52 C53 110.4(7) . . ? C51 C52 H52A 109.6(5) . . ? C53 C52 H52A 109.6(5) . . ? C51 C52 H52B 109.6(5) . . ? C53 C52 H52B 109.6(5) . . ? H52A C52 H52B 108.1 . . ? C54 C53 C52 110.4(9) . . ? C54 C53 H53A 109.6(6) . . ? C52 C53 H53A 109.6(5) . . ? C54 C53 H53B 109.6(6) . . ? C52 C53 H53B 109.6(5) . . ? H53A C53 H53B 108.1 . . ? C53 C54 H54A 109.5(6) . . ? C53 C54 H54B 109.5(6) . . ? H54A C54 H54B 109.5 . . ? C53 C54 H54C 109.5(6) . . ? H54A C54 H54C 109.5 . . ? H54B C54 H54C 109.5 . . ? Cl1 C55 Cl2 113.6(7) . . ? Cl1 C55 H55A 108.9(6) . . ? Cl2 C55 H55A 108.9(5) . . ? Cl1 C55 H55B 108.9(6) . . ? Cl2 C55 H55B 108.9(6) . . ? H55A C55 H55B 107.7 . . ? _refine_diff_density_max 1.381 _refine_diff_density_min -2.208 _refine_diff_density_rms 0.152 #===END data_lwsh61 _database_code_depnum_ccdc_archive 'CCDC 253769' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C102 H208 Au4 B44 N4 P4 Sn4' _chemical_formula_weight 3352.87 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Au Au -2.0133 8.8022 '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 15.5926(13) _cell_length_b 15.5891(13) _cell_length_c 17.4837(16) _cell_angle_alpha 68.083(7) _cell_angle_beta 64.030(6) _cell_angle_gamma 74.245(7) _cell_volume 3514.7(5) _cell_formula_units_Z 1 _cell_measurement_temperature 160(2) _cell_measurement_reflns_used 31905 _cell_measurement_theta_min 1.4 _cell_measurement_theta_max 27.3 _exptl_crystal_description polyhedron _exptl_crystal_colour yellow _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.1 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.584 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1644 _exptl_absorpt_coefficient_mu 4.944 _exptl_absorpt_correction_type numerical _exptl_absorpt_correction_T_min 0.2453 _exptl_absorpt_correction_T_max 0.6855 _exptl_absorpt_process_details ; The absorption correction (X-RED; Stoe & Cie, 2001) was performed after optimizing the crystal shape using X-SHAPE (Stoe & Cie, 1999). ; _diffrn_ambient_temperature 160(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 'IPDS II (Stoe & Cie)' _diffrn_measurement_method '\w and \f scans' _diffrn_detector_area_resol_mean 'not measured' _diffrn_standards_number 'not measured' _diffrn_standards_interval_count 'not measured' _diffrn_standards_interval_time 'not measured' _diffrn_standards_decay_% 'not measured' _diffrn_reflns_number 54953 _diffrn_reflns_av_R_equivalents 0.0669 _diffrn_reflns_av_sigmaI/netI 0.0773 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 1.42 _diffrn_reflns_theta_max 27.30 _reflns_number_total 15436 _reflns_number_gt 9957 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'X-Area (Stoe & Cie, 2001)' _computing_cell_refinement 'X-Area (Stoe & Cie, 2001)' _computing_data_reduction 'X-Area (Stoe & Cie, 2001)' _computing_structure_solution 'SIR92 (Altomare et al., 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'DIAMOND (Brandenburg, 2001)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0602P)^2^] 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 SHELXL _refine_ls_extinction_coef 0.00060(6) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 15436 _refine_ls_number_parameters 593 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0754 _refine_ls_R_factor_gt 0.0435 _refine_ls_wR_factor_ref 0.1058 _refine_ls_wR_factor_gt 0.0981 _refine_ls_goodness_of_fit_ref 0.872 _refine_ls_restrained_S_all 0.872 _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 Au1 Au 0.485176(18) 0.628895(19) 0.497295(19) 0.03202(8) Uani 1 1 d . . . Au2 Au 0.467190(18) 0.551504(19) 0.396137(19) 0.03195(8) Uani 1 1 d . . . P1 P 0.50658(13) 0.70515(13) 0.57862(14) 0.0355(4) Uani 1 1 d . . . C111 C 0.5668(5) 0.8089(5) 0.5156(6) 0.0444(19) Uani 1 1 d . . . C112 C 0.5991(6) 0.8366(6) 0.4236(7) 0.056(2) Uani 1 1 d . . . H112 H 0.5922 0.8006 0.3950 0.067(6) Uiso 1 1 calc R . . C113 C 0.6414(8) 0.9173(7) 0.3739(8) 0.076(3) Uani 1 1 d . . . H113 H 0.6627 0.9356 0.3121 0.067(6) Uiso 1 1 calc R . . C114 C 0.6522(7) 0.9711(6) 0.4161(9) 0.071(3) Uani 1 1 d . . . H114 H 0.6793 1.0263 0.3830 0.067(6) Uiso 1 1 calc R . . C115 C 0.6231(7) 0.9427(6) 0.5056(9) 0.067(3) Uani 1 1 d . . . H115 H 0.6331 0.9772 0.5337 0.067(6) Uiso 1 1 calc R . . C116 C 0.5782(7) 0.8623(6) 0.5567(7) 0.060(2) Uani 1 1 d . . . H116 H 0.5560 0.8451 0.6185 0.067(6) Uiso 1 1 calc R . . C121 C 0.3975(5) 0.7420(5) 0.6617(5) 0.0402(17) Uani 1 1 d . . . C122 C 0.3127(5) 0.7616(5) 0.6466(5) 0.0412(17) Uani 1 1 d . . . H122 H 0.3132 0.7528 0.5966 0.067(6) Uiso 1 1 calc R . . C123 C 0.2278(6) 0.7940(7) 0.7060(7) 0.060(2) Uani 1 1 d . . . H123 H 0.1714 0.8064 0.6957 0.067(6) Uiso 1 1 calc R . . C124 C 0.2254(7) 0.8082(7) 0.7799(7) 0.063(2) Uani 1 1 d . . . H124 H 0.1682 0.8312 0.8188 0.067(6) Uiso 1 1 calc R . . C125 C 0.3089(7) 0.7877(7) 0.7953(7) 0.069(3) Uani 1 1 d . . . H125 H 0.3075 0.7958 0.8460 0.067(6) Uiso 1 1 calc R . . C126 C 0.3938(6) 0.7557(6) 0.7380(6) 0.053(2) Uani 1 1 d . . . H126 H 0.4496 0.7429 0.7495 0.067(6) Uiso 1 1 calc R . . C12 C 0.4134(5) 0.3710(5) 0.3636(6) 0.0432(18) Uani 1 1 d . . . H12A H 0.4174 0.3441 0.3201 0.048(16) Uiso 1 1 calc R . . H12B H 0.3477 0.3714 0.4068 0.048(16) Uiso 1 1 calc R . . P2 P 0.43892(12) 0.49183(13) 0.30684(13) 0.0337(4) Uani 1 1 d . . . C211 C 0.3351(5) 0.5516(5) 0.2768(5) 0.0366(16) Uani 1 1 d . . . C212 C 0.3470(6) 0.6252(7) 0.1998(7) 0.060(2) Uani 1 1 d . . . H212 H 0.4081 0.6424 0.1631 0.067(6) Uiso 1 1 calc R . . C213 C 0.2687(7) 0.6740(8) 0.1766(7) 0.072(3) Uani 1 1 d . . . H213 H 0.2773 0.7233 0.1244 0.067(6) Uiso 1 1 calc R . . C214 C 0.1786(7) 0.6490(7) 0.2312(7) 0.062(3) Uani 1 1 d . . . H214 H 0.1263 0.6802 0.2151 0.067(6) Uiso 1 1 calc R . . C215 C 0.1652(6) 0.5784(7) 0.3092(7) 0.058(2) Uani 1 1 d . . . H215 H 0.1036 0.5630 0.3463 0.067(6) Uiso 1 1 calc R . . C216 C 0.2434(5) 0.5292(6) 0.3337(6) 0.049(2) Uani 1 1 d . . . H216 H 0.2340 0.4821 0.3874 0.067(6) Uiso 1 1 calc R . . C221 C 0.5371(5) 0.4832(5) 0.2025(5) 0.0412(17) Uani 1 1 d . . . C222 C 0.6300(6) 0.4810(7) 0.1943(7) 0.064(3) Uani 1 1 d . . . H222 H 0.6402 0.4896 0.2394 0.067(6) Uiso 1 1 calc R . . C223 C 0.7079(7) 0.4663(9) 0.1198(8) 0.079(3) Uani 1 1 d . . . H223 H 0.7700 0.4649 0.1151 0.067(6) Uiso 1 1 calc R . . C224 C 0.6937(7) 0.4538(8) 0.0537(7) 0.070(3) Uani 1 1 d . . . H224 H 0.7462 0.4438 0.0036 0.067(6) Uiso 1 1 calc R . . C225 C 0.6012(7) 0.4558(7) 0.0602(6) 0.059(2) Uani 1 1 d . . . H225 H 0.5917 0.4488 0.0141 0.067(6) Uiso 1 1 calc R . . C226 C 0.5236(6) 0.4684(6) 0.1352(5) 0.048(2) Uani 1 1 d . . . H226 H 0.4619 0.4670 0.1408 0.067(6) Uiso 1 1 calc R . . Sn1 Sn 0.39983(3) 0.73458(4) 0.37890(4) 0.03854(12) Uani 1 1 d . . . B11 B 0.4004(6) 0.8191(7) 0.2388(6) 0.047(2) Uani 1 1 d . . . H11 H 0.4389 0.7771 0.1922 0.056 Uiso 1 1 calc R . . B12 B 0.4652(7) 0.8709(6) 0.2785(6) 0.044(2) Uani 1 1 d . . . H12 H 0.5439 0.8622 0.2571 0.053 Uiso 1 1 calc R . . B13 B 0.3804(6) 0.8815(6) 0.3915(6) 0.044(2) Uani 1 1 d . . . H13 H 0.4061 0.8781 0.4421 0.052 Uiso 1 1 calc R . . B14 B 0.2635(7) 0.8395(7) 0.4215(7) 0.051(2) Uani 1 1 d . . . H14 H 0.2146 0.8112 0.4904 0.061 Uiso 1 1 calc R . . B15 B 0.2764(7) 0.7991(8) 0.3263(7) 0.051(2) Uani 1 1 d . . . H15 H 0.2364 0.7455 0.3353 0.061 Uiso 1 1 calc R . . B16 B 0.2791(8) 0.9593(8) 0.3776(8) 0.061(3) Uani 1 1 d . . . H16 H 0.2403 1.0047 0.4211 0.073 Uiso 1 1 calc R . . B17 B 0.2188(8) 0.9123(8) 0.3370(8) 0.065(3) Uani 1 1 d . . . H17 H 0.1407 0.9286 0.3537 0.078 Uiso 1 1 calc R . . B18 B 0.3958(8) 0.9794(8) 0.2936(8) 0.058(3) Uani 1 1 d . . . H18 H 0.4311 1.0376 0.2828 0.070 Uiso 1 1 calc R . . B19 B 0.2978(7) 0.8992(8) 0.2319(7) 0.062(3) Uani 1 1 d . . . H19 H 0.2711 0.9065 0.1808 0.074 Uiso 1 1 calc R . . B110 B 0.4080(8) 0.9396(7) 0.2036(8) 0.058(3) Uani 1 1 d . . . H110 H 0.4526 0.9723 0.1341 0.069 Uiso 1 1 calc R . . B111 B 0.2959(9) 0.9972(8) 0.2618(8) 0.067(3) Uani 1 1 d . . . H111 H 0.2676 1.0678 0.2300 0.080 Uiso 1 1 calc R . . Sn2 Sn 0.66075(4) 0.53279(6) 0.40464(5) 0.0645(2) Uani 1 1 d . . . B21 B 0.8037(6) 0.4661(9) 0.4231(8) 0.066(3) Uani 1 1 d . . . H21 H 0.7904 0.4109 0.4870 0.079 Uiso 1 1 calc R . . B22 B 0.7560(7) 0.6580(8) 0.3106(8) 0.060(3) Uani 1 1 d . . . H22 H 0.7111 0.7262 0.3021 0.072 Uiso 1 1 calc R . . B23 B 0.7625(8) 0.5760(8) 0.2570(7) 0.059(3) Uani 1 1 d . . . H23 H 0.7215 0.5924 0.2145 0.071 Uiso 1 1 calc R . . B24 B 0.7947(7) 0.4552(7) 0.3198(8) 0.058(3) Uani 1 1 d . . . H24 H 0.7768 0.3937 0.3160 0.069 Uiso 1 1 calc R . . B25 B 0.7771(8) 0.5936(9) 0.4140(9) 0.067(3) Uani 1 1 d . . . H25 H 0.7448 0.6212 0.4714 0.080 Uiso 1 1 calc R . . B26 B 0.8582(8) 0.6374(7) 0.2256(8) 0.060(3) Uani 1 1 d . . . H26 H 0.8774 0.6940 0.1626 0.073 Uiso 1 1 calc R . . B27 B 0.8821(9) 0.5176(11) 0.2296(8) 0.084(5) Uani 1 1 d . . . H27 H 0.9165 0.4939 0.1697 0.101 Uiso 1 1 calc R . . B28 B 0.9061(7) 0.4553(9) 0.3285(10) 0.078(4) Uani 1 1 d . . . H28 H 0.9567 0.3907 0.3351 0.094 Uiso 1 1 calc R . . B29 B 0.8955(7) 0.5349(9) 0.3812(8) 0.064(3) Uani 1 1 d . . . H29 H 0.9388 0.5232 0.4206 0.076 Uiso 1 1 calc R . . B210 B 0.8693(8) 0.6457(9) 0.3167(8) 0.065(3) Uani 1 1 d . . . H210 H 0.8967 0.7050 0.3144 0.078 Uiso 1 1 calc R . . B211 B 0.9473(6) 0.5616(8) 0.2607(8) 0.058(3) Uani 1 1 d . . . H211 H 1.0242 0.5662 0.2199 0.069 Uiso 1 1 calc R . . N1 N 0.9198(5) 0.7665(5) 0.5067(5) 0.0470(15) Uiso 1 1 d . . . C31 C 0.9603(8) 0.6767(8) 0.4806(8) 0.079(3) Uiso 1 1 d . . . C32 C 0.8940(8) 0.8420(8) 0.4309(8) 0.074(3) Uiso 1 1 d . . . C33 C 0.9760(7) 0.8607(8) 0.3415(7) 0.070(3) Uiso 1 1 d . . . C34 C 0.9334(12) 0.9405(12) 0.2770(12) 0.124(5) Uiso 1 1 d . . . C35 C 0.8247(7) 0.7538(7) 0.5880(6) 0.058(2) Uiso 1 1 d . . . C36 C 0.8325(6) 0.6792(7) 0.6708(6) 0.056(2) Uiso 1 1 d . . . C37 C 0.7358(7) 0.6825(7) 0.7492(7) 0.067(2) Uiso 1 1 d . . . C38 C 0.9966(6) 0.7894(6) 0.5250(6) 0.0507(19) Uiso 1 1 d . . . C39 C 0.9620(10) 0.8775(10) 0.5549(10) 0.099(4) Uiso 1 1 d . . . C310 C 0.7395(8) 0.6030(8) 0.8329(8) 0.077(3) Uiso 1 1 d . . . C311 C 1.0078(12) 0.8873(12) 0.6097(12) 0.124(5) Uiso 1 1 d . . . C312 C 0.9806(12) 0.8322(13) 0.6941(13) 0.128(5) Uiso 1 1 d . . . C313 C 1.0220(13) 0.9625(13) 0.1803(12) 0.134(6) Uiso 1 1 d . . . N2 N 0.7060(5) 0.8227(6) 0.0181(5) 0.0610(19) Uiso 1 1 d . . . C41 C 0.5942(9) 0.7711(9) -0.0213(9) 0.087(3) Uiso 1 1 d . . . C42 C 0.6203(8) 0.8515(8) -0.0096(8) 0.078(3) Uiso 1 1 d . . . C43 C 0.7929(11) 0.7691(11) -0.0452(10) 0.110(4) Uiso 1 1 d . . . C44 C 0.883(2) 0.737(2) -0.0318(19) 0.207(10) Uiso 1 1 d . . . C45 C 1.0237(14) 0.6388(14) -0.0524(13) 0.145(6) Uiso 1 1 d . . . C46 C 0.9314(14) 0.6561(14) -0.0726(13) 0.140(6) Uiso 1 1 d . . . C47 C 0.6731(11) 0.7647(11) 0.1138(11) 0.109(4) Uiso 1 1 d . . . C48 C 0.4938(10) 0.8126(11) -0.0352(10) 0.104(4) Uiso 1 1 d . . . C49 C 0.4708(12) 0.7440(13) -0.0623(12) 0.129(5) Uiso 1 1 d . . . C410 C 0.7500(17) 0.9114(17) -0.0008(16) 0.165(8) Uiso 1 1 d . . . C411 C 0.751(2) 1.049(2) 0.0379(19) 0.205(10) Uiso 1 1 d . . . C412 C 0.8088(18) 1.0146(19) 0.0884(18) 0.196(10) Uiso 1 1 d . . . C413 C 0.687(3) 0.966(3) 0.046(2) 0.257(14) Uiso 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Au1 0.03090(14) 0.02804(15) 0.04050(17) -0.00825(12) -0.01925(12) -0.00151(11) Au2 0.03114(14) 0.02808(15) 0.04016(17) -0.00824(12) -0.01888(12) -0.00231(11) P1 0.0367(9) 0.0299(10) 0.0473(12) -0.0109(9) -0.0232(9) -0.0033(8) C111 0.039(4) 0.031(4) 0.067(6) -0.012(4) -0.029(4) 0.001(3) C112 0.047(5) 0.045(5) 0.066(6) -0.012(4) -0.011(4) -0.017(4) C113 0.075(7) 0.058(6) 0.074(7) -0.004(5) -0.008(6) -0.031(6) C114 0.059(6) 0.024(4) 0.127(10) -0.004(5) -0.044(6) -0.012(4) C115 0.069(6) 0.035(5) 0.114(10) -0.020(6) -0.052(7) -0.003(4) C116 0.077(6) 0.035(5) 0.083(7) -0.010(4) -0.044(6) -0.015(4) C121 0.046(4) 0.031(4) 0.051(5) -0.012(3) -0.025(4) -0.004(3) C122 0.038(4) 0.037(4) 0.052(5) -0.011(4) -0.021(4) -0.006(3) C123 0.044(5) 0.064(6) 0.076(7) -0.031(5) -0.019(5) -0.006(4) C124 0.054(5) 0.061(6) 0.064(6) -0.031(5) -0.010(5) 0.002(5) C125 0.078(7) 0.071(7) 0.069(7) -0.035(6) -0.039(6) 0.012(5) C126 0.053(5) 0.058(6) 0.064(6) -0.034(5) -0.033(5) 0.009(4) C12 0.033(4) 0.041(4) 0.060(5) -0.014(4) -0.020(4) -0.007(3) P2 0.0318(9) 0.0324(10) 0.0425(11) -0.0101(8) -0.0193(8) -0.0049(8) C211 0.036(4) 0.034(4) 0.046(4) -0.009(3) -0.023(3) -0.005(3) C212 0.048(5) 0.054(6) 0.066(6) -0.004(5) -0.025(5) -0.002(4) C213 0.065(6) 0.068(7) 0.069(7) 0.001(5) -0.043(6) 0.013(5) C214 0.056(5) 0.064(6) 0.079(7) -0.026(5) -0.050(5) 0.019(5) C215 0.038(4) 0.056(6) 0.093(8) -0.030(5) -0.034(5) 0.003(4) C216 0.037(4) 0.048(5) 0.069(6) -0.026(4) -0.023(4) 0.002(4) C221 0.037(4) 0.039(4) 0.047(5) -0.011(4) -0.014(3) -0.010(3) C222 0.035(4) 0.091(8) 0.074(7) -0.046(6) -0.005(4) -0.015(5) C223 0.043(5) 0.119(10) 0.088(8) -0.057(8) -0.009(5) -0.020(6) C224 0.051(5) 0.092(8) 0.055(6) -0.030(6) 0.000(5) -0.013(5) C225 0.065(6) 0.062(6) 0.050(5) -0.015(5) -0.019(5) -0.015(5) C226 0.048(4) 0.058(5) 0.043(5) -0.012(4) -0.021(4) -0.011(4) Sn1 0.0372(2) 0.0340(3) 0.0430(3) -0.0081(2) -0.0210(2) 0.0031(2) B11 0.042(5) 0.047(6) 0.042(5) -0.006(4) -0.018(4) 0.003(4) B12 0.051(5) 0.031(5) 0.050(6) -0.005(4) -0.025(4) -0.001(4) B13 0.046(5) 0.036(5) 0.048(5) -0.010(4) -0.024(4) 0.003(4) B14 0.038(4) 0.056(6) 0.059(6) -0.025(5) -0.025(5) 0.017(4) B15 0.042(5) 0.059(6) 0.053(6) -0.010(5) -0.028(5) -0.002(4) B16 0.057(6) 0.054(7) 0.068(7) -0.025(6) -0.030(6) 0.020(5) B17 0.054(6) 0.068(8) 0.070(8) -0.005(6) -0.045(6) 0.012(5) B18 0.061(6) 0.044(6) 0.073(8) -0.019(5) -0.036(6) 0.008(5) B19 0.054(6) 0.067(7) 0.053(6) -0.007(5) -0.031(5) 0.014(5) B110 0.061(6) 0.042(6) 0.063(7) -0.006(5) -0.033(6) 0.007(5) B111 0.075(7) 0.050(7) 0.069(8) -0.006(6) -0.043(6) 0.013(6) Sn2 0.0235(2) 0.1100(6) 0.0649(4) -0.0376(4) -0.0073(3) -0.0151(3) B21 0.031(4) 0.072(8) 0.070(8) 0.013(6) -0.026(5) -0.008(5) B22 0.047(5) 0.055(7) 0.086(8) -0.028(6) -0.030(6) 0.002(5) B23 0.070(6) 0.059(7) 0.061(6) 0.010(5) -0.044(6) -0.034(6) B24 0.052(5) 0.039(5) 0.076(8) -0.025(5) -0.007(5) -0.015(5) B25 0.054(6) 0.083(9) 0.073(8) -0.037(7) -0.011(6) -0.025(6) B26 0.071(7) 0.042(6) 0.080(8) 0.006(5) -0.050(6) -0.021(5) B27 0.069(7) 0.134(13) 0.063(8) -0.060(8) 0.014(6) -0.059(8) B28 0.038(5) 0.054(7) 0.104(11) -0.009(7) -0.014(6) 0.007(5) B29 0.045(5) 0.093(9) 0.059(7) -0.017(6) -0.019(5) -0.026(6) B210 0.058(6) 0.090(9) 0.056(7) -0.024(6) -0.019(5) -0.023(6) B211 0.028(4) 0.056(6) 0.077(8) -0.022(6) -0.008(5) -0.005(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Au1 P1 2.3323(18) . ? Au1 Au2 2.6217(4) . ? Au1 Sn1 2.7287(6) . ? Au1 Sn2 2.8398(8) . ? Au1 Au2 2.8457(5) 2_666 ? Au1 Sn2 3.3078(8) 2_666 ? Au2 P2 2.3253(18) . ? Au2 Sn1 2.7104(6) . ? Au2 Au1 2.8457(5) 2_666 ? Au2 Sn2 3.0164(6) . ? Au2 Sn2 3.1241(8) 2_666 ? P1 C121 1.806(8) . ? P1 C111 1.816(8) . ? P1 C12 1.841(8) 2_666 ? C111 C116 1.372(11) . ? C111 C112 1.385(12) . ? C112 C113 1.381(12) . ? C113 C114 1.387(15) . ? C114 C115 1.349(15) . ? C115 C116 1.397(13) . ? C121 C122 1.391(9) . ? C121 C126 1.403(11) . ? C122 C123 1.382(12) . ? C123 C124 1.372(13) . ? C124 C125 1.375(13) . ? C125 C126 1.363(13) . ? C12 P2 1.833(8) . ? C12 P1 1.841(8) 2_666 ? P2 C221 1.820(8) . ? P2 C211 1.823(7) . ? C211 C212 1.381(11) . ? C211 C216 1.386(10) . ? C212 C213 1.390(12) . ? C213 C214 1.372(14) . ? C214 C215 1.366(13) . ? C215 C216 1.401(11) . ? C221 C222 1.384(10) . ? C221 C226 1.388(11) . ? C222 C223 1.382(13) . ? C223 C224 1.357(14) . ? C224 C225 1.388(13) . ? C225 C226 1.377(12) . ? Sn1 B11 2.305(9) . ? Sn1 B13 2.308(9) . ? Sn1 B15 2.318(8) . ? Sn1 B14 2.320(9) . ? Sn1 B12 2.337(9) . ? B11 B19 1.761(13) . ? B11 B110 1.765(14) . ? B11 B15 1.886(13) . ? B11 B12 1.905(13) . ? B12 B110 1.765(13) . ? B12 B18 1.787(14) . ? B12 B13 1.875(14) . ? B13 B16 1.762(13) . ? B13 B18 1.791(15) . ? B13 B14 1.892(13) . ? B14 B16 1.775(16) . ? B14 B17 1.783(14) . ? B14 B15 1.905(15) . ? B15 B19 1.774(15) . ? B15 B17 1.786(16) . ? B16 B18 1.787(16) . ? B16 B111 1.800(17) . ? B16 B17 1.809(16) . ? B17 B19 1.759(17) . ? B17 B111 1.762(17) . ? B18 B111 1.796(15) . ? B18 B110 1.818(16) . ? B19 B111 1.779(18) . ? B19 B110 1.788(15) . ? B110 B111 1.781(17) . ? Sn2 B21 2.296(9) . ? Sn2 B24 2.298(11) . ? Sn2 B23 2.309(11) . ? Sn2 B25 2.350(10) . ? Sn2 B22 2.400(11) . ? Sn2 Au2 3.1241(8) 2_666 ? Sn2 Au1 3.3078(8) 2_666 ? B21 B29 1.750(14) . ? B21 B28 1.749(17) . ? B21 B25 1.876(18) . ? B21 B24 1.942(17) . ? B22 B26 1.691(17) . ? B22 B210 1.771(14) . ? B22 B23 1.808(16) . ? B22 B25 1.835(18) . ? B23 B26 1.765(12) . ? B23 B27 1.777(19) . ? B23 B24 1.852(15) . ? B24 B27 1.726(15) . ? B24 B28 1.809(16) . ? B25 B210 1.756(16) . ? B25 B29 1.768(17) . ? B26 B210 1.729(15) . ? B26 B211 1.737(14) . ? B26 B27 1.784(18) . ? B27 B211 1.715(14) . ? B27 B28 1.79(2) . ? B28 B211 1.735(16) . ? B28 B29 1.738(19) . ? B29 B210 1.730(18) . ? B29 B211 1.817(16) . ? B210 B211 1.791(17) . ? N1 C31 1.519(14) . ? N1 C38 1.522(10) . ? N1 C32 1.533(13) . ? N1 C35 1.537(11) . ? C32 C33 1.508(15) . ? C33 C34 1.555(19) . ? C34 C313 1.63(2) . ? C35 C36 1.512(13) . ? C36 C37 1.534(13) . ? C37 C310 1.537(15) . ? C38 C39 1.529(16) . ? C39 C311 1.49(2) . ? C311 C312 1.34(2) . ? N2 C47 1.501(17) . ? N2 C42 1.517(13) . ? N2 C410 1.57(2) . ? N2 C43 1.588(17) . ? C41 C42 1.524(16) . ? C41 C48 1.609(18) . ? C43 C44 1.45(3) . ? C44 C46 1.53(3) . ? C45 C46 1.56(2) . ? C48 C49 1.49(2) . ? C410 C413 1.31(4) . ? C411 C412 1.40(3) . ? C411 C413 1.77(4) . ? 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 P1 Au1 Au2 176.16(5) . . ? P1 Au1 Sn1 116.95(5) . . ? Au2 Au1 Sn1 60.834(15) . . ? P1 Au1 Sn2 111.89(5) . . ? Au2 Au1 Sn2 66.913(16) . . ? Sn1 Au1 Sn2 107.80(2) . . ? P1 Au1 Au2 93.39(5) . 2_666 ? Au2 Au1 Au2 89.435(13) . 2_666 ? Sn1 Au1 Au2 147.793(15) . 2_666 ? Sn2 Au1 Au2 66.66(2) . 2_666 ? P1 Au1 Sn2 121.44(5) . 2_666 ? Au2 Au1 Sn2 62.328(15) . 2_666 ? Sn1 Au1 Sn2 94.547(19) . 2_666 ? Sn2 Au1 Sn2 101.943(17) . 2_666 ? Au2 Au1 Sn2 58.127(15) 2_666 2_666 ? P2 Au2 Au1 174.98(5) . . ? P2 Au2 Sn1 114.17(5) . . ? Au1 Au2 Sn1 61.534(15) . . ? P2 Au2 Au1 93.00(5) . 2_666 ? Au1 Au2 Au1 90.565(13) . 2_666 ? Sn1 Au2 Au1 149.471(17) . 2_666 ? P2 Au2 Sn2 124.69(5) . . ? Au1 Au2 Sn2 60.002(17) . . ? Sn1 Au2 Sn2 103.44(2) . . ? Au1 Au2 Sn2 68.632(19) 2_666 . ? P2 Au2 Sn2 109.52(5) . 2_666 ? Au1 Au2 Sn2 69.668(17) . 2_666 ? Sn1 Au2 Sn2 99.22(2) . 2_666 ? Au1 Au2 Sn2 56.577(18) 2_666 2_666 ? Sn2 Au2 Sn2 102.362(16) . 2_666 ? C121 P1 C111 104.3(4) . . ? C121 P1 C12 107.2(4) . 2_666 ? C111 P1 C12 102.2(3) . 2_666 ? C121 P1 Au1 115.1(2) . . ? C111 P1 Au1 116.8(3) . . ? C12 P1 Au1 110.2(3) 2_666 . ? C116 C111 C112 119.1(8) . . ? C116 C111 P1 121.8(7) . . ? C112 C111 P1 119.1(6) . . ? C113 C112 C111 120.5(9) . . ? C112 C113 C114 120.0(11) . . ? C115 C114 C113 119.4(9) . . ? C114 C115 C116 121.1(9) . . ? C111 C116 C115 119.8(10) . . ? C122 C121 C126 118.4(7) . . ? C122 C121 P1 117.5(6) . . ? C126 C121 P1 124.1(6) . . ? C123 C122 C121 119.9(8) . . ? C124 C123 C122 121.2(8) . . ? C123 C124 C125 118.9(9) . . ? C126 C125 C124 121.3(9) . . ? C125 C126 C121 120.3(8) . . ? P2 C12 P1 115.4(3) . 2_666 ? C221 P2 C211 105.1(4) . . ? C221 P2 C12 102.4(4) . . ? C211 P2 C12 103.9(3) . . ? C221 P2 Au2 117.3(2) . . ? C211 P2 Au2 115.3(2) . . ? C12 P2 Au2 111.1(3) . . ? C212 C211 C216 119.5(7) . . ? C212 C211 P2 119.4(6) . . ? C216 C211 P2 120.8(6) . . ? C211 C212 C213 120.7(8) . . ? C214 C213 C212 119.5(9) . . ? C215 C214 C213 120.4(8) . . ? C214 C215 C216 120.6(8) . . ? C211 C216 C215 119.1(9) . . ? C222 C221 C226 118.7(8) . . ? C222 C221 P2 118.3(6) . . ? C226 C221 P2 122.6(6) . . ? C223 C222 C221 120.8(9) . . ? C224 C223 C222 119.9(9) . . ? C223 C224 C225 120.4(9) . . ? C226 C225 C224 119.8(9) . . ? C225 C226 C221 120.4(7) . . ? B11 Sn1 B13 82.3(4) . . ? B11 Sn1 B15 48.2(3) . . ? B13 Sn1 B15 83.2(3) . . ? B11 Sn1 B14 82.4(4) . . ? B13 Sn1 B14 48.3(3) . . ? B15 Sn1 B14 48.5(4) . . ? B11 Sn1 B12 48.4(3) . . ? B13 Sn1 B12 47.6(3) . . ? B15 Sn1 B12 83.2(3) . . ? B14 Sn1 B12 82.4(4) . . ? B11 Sn1 Au2 113.5(3) . . ? B13 Sn1 Au2 158.4(2) . . ? B15 Sn1 Au2 118.3(3) . . ? B14 Sn1 Au2 144.4(3) . . ? B12 Sn1 Au2 132.4(2) . . ? B11 Sn1 Au1 154.0(2) . . ? B13 Sn1 Au1 101.6(2) . . ? B15 Sn1 Au1 157.3(3) . . ? B14 Sn1 Au1 119.6(3) . . ? B12 Sn1 Au1 116.5(2) . . ? Au2 Sn1 Au1 57.632(14) . . ? B19 B11 B110 61.0(6) . . ? B19 B11 B15 58.1(6) . . ? B110 B11 B15 107.6(7) . . ? B19 B11 B12 106.5(7) . . ? B110 B11 B12 57.4(5) . . ? B15 B11 B12 109.3(7) . . ? B19 B11 Sn1 117.4(6) . . ? B110 B11 Sn1 117.6(6) . . ? B15 B11 Sn1 66.3(4) . . ? B12 B11 Sn1 66.7(4) . . ? B110 B12 B18 61.6(6) . . ? B110 B12 B13 106.9(7) . . ? B18 B12 B13 58.5(6) . . ? B110 B12 B11 57.3(5) . . ? B18 B12 B11 106.9(6) . . ? B13 B12 B11 106.8(6) . . ? B110 B12 Sn1 116.0(6) . . ? B18 B12 Sn1 117.4(6) . . ? B13 B12 Sn1 65.4(4) . . ? B11 B12 Sn1 64.9(4) . . ? B16 B13 B18 60.4(6) . . ? B16 B13 B12 106.8(7) . . ? B18 B13 B12 58.3(5) . . ? B16 B13 B14 58.0(6) . . ? B18 B13 B14 107.1(6) . . ? B12 B13 B14 109.1(6) . . ? B16 B13 Sn1 117.8(6) . . ? B18 B13 Sn1 118.7(6) . . ? B12 B13 Sn1 67.0(4) . . ? B14 B13 Sn1 66.2(4) . . ? B16 B14 B17 61.1(6) . . ? B16 B14 B13 57.3(5) . . ? B17 B14 B13 105.8(7) . . ? B16 B14 B15 107.4(8) . . ? B17 B14 B15 57.8(6) . . ? B13 B14 B15 107.9(7) . . ? B16 B14 Sn1 116.6(6) . . ? B17 B14 Sn1 116.3(7) . . ? B13 B14 Sn1 65.5(4) . . ? B15 B14 Sn1 65.7(4) . . ? B19 B15 B17 59.2(6) . . ? B19 B15 B11 57.4(5) . . ? B17 B15 B11 104.6(7) . . ? B19 B15 B14 105.2(8) . . ? B17 B15 B14 57.7(6) . . ? B11 B15 B14 106.9(6) . . ? B19 B15 Sn1 116.3(6) . . ? B17 B15 Sn1 116.3(6) . . ? B11 B15 Sn1 65.6(4) . . ? B14 B15 Sn1 65.8(4) . . ? B13 B16 B14 64.7(6) . . ? B13 B16 B18 60.6(6) . . ? B14 B16 B18 112.6(8) . . ? B13 B16 B111 109.0(8) . . ? B14 B16 B111 108.4(8) . . ? B18 B16 B111 60.1(6) . . ? B13 B16 B17 110.4(8) . . ? B14 B16 B17 59.7(6) . . ? B18 B16 B17 107.7(8) . . ? B111 B16 B17 58.5(7) . . ? B19 B17 B111 60.7(7) . . ? B19 B17 B14 111.3(7) . . ? B111 B17 B14 109.7(7) . . ? B19 B17 B15 60.0(7) . . ? B111 B17 B15 110.6(8) . . ? B14 B17 B15 64.5(6) . . ? B19 B17 B16 108.9(8) . . ? B111 B17 B16 60.5(7) . . ? B14 B17 B16 59.2(6) . . ? B15 B17 B16 111.2(6) . . ? B16 B18 B12 109.6(8) . . ? B16 B18 B13 59.0(6) . . ? B12 B18 B13 63.2(6) . . ? B16 B18 B111 60.3(6) . . ? B12 B18 B111 107.6(8) . . ? B13 B18 B111 107.9(8) . . ? B16 B18 B110 107.0(8) . . ? B12 B18 B110 58.6(6) . . ? B13 B18 B110 108.3(7) . . ? B111 B18 B110 59.0(6) . . ? B17 B19 B11 111.3(7) . . ? B17 B19 B15 60.8(6) . . ? B11 B19 B15 64.5(6) . . ? B17 B19 B111 59.8(7) . . ? B11 B19 B111 109.2(8) . . ? B15 B19 B111 110.4(8) . . ? B17 B19 B110 108.0(8) . . ? B11 B19 B110 59.6(6) . . ? B15 B19 B110 111.7(7) . . ? B111 B19 B110 59.9(7) . . ? B11 B110 B12 65.3(5) . . ? B11 B110 B111 109.0(8) . . ? B12 B110 B111 109.2(8) . . ? B11 B110 B19 59.4(6) . . ? B12 B110 B19 111.5(7) . . ? B111 B110 B19 59.8(7) . . ? B11 B110 B18 111.8(8) . . ? B12 B110 B18 59.8(6) . . ? B111 B110 B18 59.9(6) . . ? B19 B110 B18 108.3(8) . . ? B17 B111 B19 59.5(7) . . ? B17 B111 B110 108.2(8) . . ? B19 B111 B110 60.3(6) . . ? B17 B111 B18 109.4(8) . . ? B19 B111 B18 109.8(8) . . ? B110 B111 B18 61.1(6) . . ? B17 B111 B16 61.0(7) . . ? B19 B111 B16 108.4(8) . . ? B110 B111 B16 108.0(7) . . ? B18 B111 B16 59.6(6) . . ? B21 Sn2 B24 50.0(5) . . ? B21 Sn2 B23 81.9(4) . . ? B24 Sn2 B23 47.4(4) . . ? B21 Sn2 B25 47.6(4) . . ? B24 Sn2 B25 82.4(4) . . ? B23 Sn2 B25 79.1(4) . . ? B21 Sn2 B22 79.6(4) . . ? B24 Sn2 B22 79.7(4) . . ? B23 Sn2 B22 45.1(4) . . ? B25 Sn2 B22 45.5(4) . . ? B21 Sn2 Au1 136.3(3) . . ? B24 Sn2 Au1 173.7(3) . . ? B23 Sn2 Au1 129.7(3) . . ? B25 Sn2 Au1 102.9(3) . . ? B22 Sn2 Au1 101.6(3) . . ? B21 Sn2 Au2 160.5(3) . . ? B24 Sn2 Au2 120.8(3) . . ? B23 Sn2 Au2 103.6(2) . . ? B25 Sn2 Au2 151.4(3) . . ? B22 Sn2 Au2 117.7(3) . . ? Au1 Sn2 Au2 53.085(13) . . ? B21 Sn2 Au2 94.7(3) . 2_666 ? B24 Sn2 Au2 125.8(3) . 2_666 ? B23 Sn2 Au2 172.8(3) . 2_666 ? B25 Sn2 Au2 103.2(3) . 2_666 ? B22 Sn2 Au2 140.6(3) . 2_666 ? Au1 Sn2 Au2 56.759(15) . 2_666 ? Au2 Sn2 Au2 77.638(17) . 2_666 ? B21 Sn2 Au1 108.4(3) . 2_666 ? B24 Sn2 Au1 99.6(2) . 2_666 ? B23 Sn2 Au1 127.1(2) . 2_666 ? B25 Sn2 Au1 145.6(3) . 2_666 ? B22 Sn2 Au1 169.0(3) . 2_666 ? Au1 Sn2 Au1 78.057(17) . 2_666 ? Au2 Sn2 Au1 53.241(13) . 2_666 ? Au2 Sn2 Au1 48.004(13) 2_666 2_666 ? B29 B21 B28 59.5(7) . . ? B29 B21 B25 58.2(6) . . ? B28 B21 B25 105.6(8) . . ? B29 B21 B24 105.9(7) . . ? B28 B21 B24 58.4(7) . . ? B25 B21 B24 106.6(7) . . ? B29 B21 Sn2 119.6(7) . . ? B28 B21 Sn2 118.0(7) . . ? B25 B21 Sn2 67.7(5) . . ? B24 B21 Sn2 65.1(4) . . ? B26 B22 B210 59.9(6) . . ? B26 B22 B23 60.5(6) . . ? B210 B22 B23 108.2(8) . . ? B26 B22 B25 107.2(8) . . ? B210 B22 B25 58.3(6) . . ? B23 B22 B25 109.1(8) . . ? B26 B22 Sn2 117.9(7) . . ? B210 B22 Sn2 117.0(7) . . ? B23 B22 Sn2 64.8(5) . . ? B25 B22 Sn2 65.9(5) . . ? B26 B23 B27 60.5(6) . . ? B26 B23 B22 56.5(6) . . ? B27 B23 B22 106.1(6) . . ? B26 B23 B24 106.2(7) . . ? B27 B23 B24 56.8(6) . . ? B22 B23 B24 110.6(7) . . ? B26 B23 Sn2 119.2(7) . . ? B27 B23 Sn2 116.7(7) . . ? B22 B23 Sn2 70.1(6) . . ? B24 B23 Sn2 66.0(5) . . ? B27 B24 B28 60.6(7) . . ? B27 B24 B23 59.4(7) . . ? B28 B24 B23 105.8(6) . . ? B27 B24 B21 104.8(7) . . ? B28 B24 B21 55.4(6) . . ? B23 B24 B21 105.3(7) . . ? B27 B24 Sn2 119.6(7) . . ? B28 B24 Sn2 115.2(7) . . ? B23 B24 Sn2 66.6(5) . . ? B21 B24 Sn2 64.9(4) . . ? B210 B25 B29 58.8(7) . . ? B210 B25 B22 59.0(6) . . ? B29 B25 B22 105.7(8) . . ? B210 B25 B21 105.3(8) . . ? B29 B25 B21 57.3(6) . . ? B22 B25 B21 108.3(8) . . ? B210 B25 Sn2 120.1(7) . . ? B29 B25 Sn2 116.1(7) . . ? B22 B25 Sn2 68.7(5) . . ? B21 B25 Sn2 64.7(4) . . ? B22 B26 B210 62.4(7) . . ? B22 B26 B211 113.2(8) . . ? B210 B26 B211 62.2(7) . . ? B22 B26 B23 63.0(7) . . ? B210 B26 B23 112.1(8) . . ? B211 B26 B23 109.4(7) . . ? B22 B26 B27 111.0(8) . . ? B210 B26 B27 108.6(8) . . ? B211 B26 B27 58.3(7) . . ? B23 B26 B27 60.1(6) . . ? B211 B27 B24 112.5(9) . . ? B211 B27 B23 109.8(8) . . ? B24 B27 B23 63.8(6) . . ? B211 B27 B26 59.5(6) . . ? B24 B27 B26 111.0(9) . . ? B23 B27 B26 59.4(7) . . ? B211 B27 B28 59.4(7) . . ? B24 B27 B28 62.0(7) . . ? B23 B27 B28 110.1(8) . . ? B26 B27 B28 105.5(8) . . ? B211 B28 B29 63.1(7) . . ? B211 B28 B21 112.3(9) . . ? B29 B28 B21 60.3(7) . . ? B211 B28 B27 58.3(7) . . ? B29 B28 B27 108.6(9) . . ? B21 B28 B27 110.7(8) . . ? B211 B28 B24 107.7(8) . . ? B29 B28 B24 112.5(8) . . ? B21 B28 B24 66.1(6) . . ? B27 B28 B24 57.4(6) . . ? B210 B29 B28 108.4(9) . . ? B210 B29 B21 112.2(7) . . ? B28 B29 B21 60.2(7) . . ? B210 B29 B25 60.3(7) . . ? B28 B29 B25 111.0(7) . . ? B21 B29 B25 64.5(6) . . ? B210 B29 B211 60.6(6) . . ? B28 B29 B211 58.4(7) . . ? B21 B29 B211 108.5(8) . . ? B25 B29 B211 109.1(8) . . ? B26 B210 B29 109.0(9) . . ? B26 B210 B25 109.1(7) . . ? B29 B210 B25 61.0(7) . . ? B26 B210 B22 57.8(6) . . ? B29 B210 B22 110.4(8) . . ? B25 B210 B22 62.7(7) . . ? B26 B210 B211 59.1(7) . . ? B29 B210 B211 62.1(7) . . ? B25 B210 B211 110.8(9) . . ? B22 B210 B211 106.9(7) . . ? B27 B211 B28 62.4(8) . . ? B27 B211 B26 62.2(7) . . ? B28 B211 B26 109.8(7) . . ? B27 B211 B210 108.8(7) . . ? B28 B211 B210 105.8(8) . . ? B26 B211 B210 58.7(6) . . ? B27 B211 B29 108.2(7) . . ? B28 B211 B29 58.5(7) . . ? B26 B211 B29 104.8(8) . . ? B210 B211 B29 57.3(7) . . ? C31 N1 C38 106.6(7) . . ? C31 N1 C32 108.4(8) . . ? C38 N1 C32 113.5(7) . . ? C31 N1 C35 110.0(7) . . ? C38 N1 C35 112.5(6) . . ? C32 N1 C35 105.7(7) . . ? C33 C32 N1 115.1(9) . . ? C32 C33 C34 105.6(10) . . ? C33 C34 C313 106.0(12) . . ? C36 C35 N1 114.9(7) . . ? C35 C36 C37 109.3(8) . . ? C36 C37 C310 110.5(9) . . ? N1 C38 C39 111.1(8) . . ? C311 C39 C38 116.7(12) . . ? C312 C311 C39 115.4(15) . . ? C47 N2 C42 107.7(8) . . ? C47 N2 C410 114.1(11) . . ? C42 N2 C410 109.9(11) . . ? C47 N2 C43 112.6(10) . . ? C42 N2 C43 110.8(9) . . ? C410 N2 C43 101.7(11) . . ? C42 C41 C48 103.8(11) . . ? N2 C42 C41 112.5(10) . . ? C44 C43 N2 120.0(16) . . ? C43 C44 C46 106(2) . . ? C44 C46 C45 94.7(17) . . ? C49 C48 C41 107.5(13) . . ? C413 C410 N2 110(2) . . ? C412 C411 C413 115(3) . . ? C410 C413 C411 106(3) . . ? _diffrn_measured_fraction_theta_max 0.975 _diffrn_reflns_theta_full 27.30 _diffrn_measured_fraction_theta_full 0.975 _refine_diff_density_max 2.457 _refine_diff_density_min -2.508 _refine_diff_density_rms 0.157