# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics # This journal is © The Owner Societies 2013 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # ####################################################################### data_dpad2 _database_code_depnum_ccdc_archive 'CCDC 907703' #TrackingRef '14937_web_deposit_cif_file_0_MatthewPolson_1351119995.Au8(PPh3)8(NO3)2.cif' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C144 H120 Au8 P8, 2(N O3), 4(C H2 Cl2)' _chemical_compound_source 'Synthesized by the authors. See text' _chemical_formula_sum 'C148 H128 Au8 Cl8 N2 O6 P8' _chemical_formula_weight 4137.62 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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Au Au -2.0133 8.8022 '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 _symmetry_space_group_name_Hall -p1 _space_group_IT_number 2 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 16.8008(5) _cell_length_b 17.0945(5) _cell_length_c 28.2942(10) _cell_angle_alpha 83.338(2) _cell_angle_beta 84.698(2) _cell_angle_gamma 62.656(2) _cell_volume 7162.4(4) _cell_formula_units_Z 2 _cell_measurement_temperature 113(2) _cell_measurement_reflns_used 9134 _cell_measurement_theta_max 22.74 _cell_measurement_theta_min 2.40 _exptl_crystal_description block _exptl_crystal_colour red _exptl_crystal_size_max 0.31 _exptl_crystal_size_mid 0.21 _exptl_crystal_size_min 0.2 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.919 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3932 _exptl_absorpt_coefficient_mu 8.453 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.596791 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_process_details 'APEXII v2008.3-0 (Bruker, 2008)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 113(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker APEXII CCD area detector' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 0 _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 96342 _diffrn_reflns_av_R_equivalents 0.1170 _diffrn_reflns_av_sigmaI/netI 0.1715 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -33 _diffrn_reflns_limit_l_max 33 _diffrn_reflns_theta_min 1.57 _diffrn_reflns_theta_max 25.05 _reflns_number_total 25320 _reflns_number_gt 13905 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'APEXII v2008.3-0 (Bruker 2008)' _computing_cell_refinement 'APEXII v2008.3-0' _computing_data_reduction 'SAINT v7.53A (Bruker, 2008)' _computing_structure_refinement ; XH, G.M. Sheldrick, Acta Cryst. (2008). A64, 112-122 ; _computing_structure_solution ; XS, G.M. Sheldrick, Acta Cryst. (2008). A64, 112-122 ; _computing_molecular_graphics ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_publication_material ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _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^)+(0.0537P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_parameters 1663 _refine_ls_number_reflns 25320 _refine_ls_number_restraints 145 _refine_ls_R_factor_all 0.1241 _refine_ls_R_factor_gt 0.0634 _refine_ls_wR_factor_gt 0.1305 _refine_ls_wR_factor_ref 0.1446 _refine_ls_restrained_S_all 0.948 _refine_ls_goodness_of_fit_ref 0.946 _refine_ls_shift/su_max <0.001 _refine_ls_shift/su_mean <0.001 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 0.67331(2) 0.40231(3) 0.742086(16) 0.02256(12) Uani 1 1 d . . . Au2 Au 0.60249(2) 0.30438(3) 0.806533(17) 0.02316(12) Uani 1 1 d . . . Au3 Au 0.60399(2) 0.57654(3) 0.773252(17) 0.02321(12) Uani 1 1 d . . . Au4 Au 0.50198(3) 0.48723(3) 0.698384(16) 0.02513(12) Uani 1 1 d . . . Au5 Au 0.42425(2) 0.65188(3) 0.741989(17) 0.02289(12) Uani 1 1 d . . . Au6 Au 0.51051(2) 0.48351(2) 0.789345(15) 0.01603(11) Uani 1 1 d . . . Au7 Au 0.43090(2) 0.38811(3) 0.762883(17) 0.02540(12) Uani 1 1 d . . . Au8 Au 0.33089(2) 0.56142(3) 0.793356(17) 0.02506(12) Uani 1 1 d . . . P1 P 0.50238(16) 0.49272(17) 0.87314(10) 0.0191(7) Uani 1 1 d . . . P2 P 0.35717(17) 0.79873(18) 0.70954(12) 0.0275(9) Uani 1 1 d . . . P3 P 0.68541(16) 0.65050(18) 0.78166(11) 0.0240(8) Uani 1 1 d . . . P4 P 0.49955(18) 0.4906(2) 0.61842(11) 0.0298(9) Uani 1 1 d . . . P5 P 0.67365(17) 0.16290(17) 0.84366(11) 0.0242(8) Uani 1 1 d . . . P6 P 0.36673(17) 0.30810(18) 0.73593(12) 0.0300(9) Uani 1 1 d . . . P7 P 0.81324(16) 0.32684(19) 0.70455(11) 0.0260(8) Uani 1 1 d . . . P8 P 0.18126(17) 0.62303(19) 0.81519(12) 0.0288(9) Uani 1 1 d . . . C1 C 0.4480(6) 0.1906(7) 0.7299(4) 0.033(3) Uani 1 1 d U . . C2 C 0.4272(6) 0.1246(6) 0.7374(4) 0.023(2) Uani 1 1 d U . . H2 H 0.3692 0.1349 0.7501 0.028 Uiso 1 1 calc R . . C3 C 0.4883(8) 0.0418(8) 0.7272(5) 0.060(4) Uani 1 1 d . . . H3 H 0.4707 -0.0039 0.7286 0.072 Uiso 1 1 calc R . . C4 C 0.5799(7) 0.0233(7) 0.7143(4) 0.034(3) Uani 1 1 d . . . H4 H 0.6241 -0.0356 0.7103 0.041 Uiso 1 1 calc R . . C5 C 0.6021(7) 0.0883(9) 0.7079(4) 0.049(4) Uani 1 1 d . . . H5 H 0.6621 0.0776 0.6993 0.059 Uiso 1 1 calc R . . C6 C 0.5345(7) 0.1737(7) 0.7141(4) 0.035(3) Uani 1 1 d . . . H6 H 0.5484 0.2219 0.7073 0.042 Uiso 1 1 calc R . . C7 C 0.2821(6) 0.2906(6) 0.7742(4) 0.025(3) Uani 1 1 d . . . C8 C 0.2037(6) 0.2949(6) 0.7550(5) 0.035(4) Uani 1 1 d . . . H8 H 0.1905 0.3153 0.7226 0.042 Uiso 1 1 calc R . . C9 C 0.1481(6) 0.2690(7) 0.7839(5) 0.046(4) Uani 1 1 d . . . H9 H 0.0974 0.2699 0.7710 0.056 Uiso 1 1 calc R . . C10 C 0.1651(8) 0.2415(8) 0.8316(5) 0.052(4) Uani 1 1 d . . . H10 H 0.1282 0.2205 0.8508 0.062 Uiso 1 1 calc R . . C11 C 0.2372(7) 0.2447(7) 0.8515(5) 0.046(4) Uani 1 1 d . . . H11 H 0.2474 0.2305 0.8845 0.055 Uiso 1 1 calc R . . C12 C 0.2931(7) 0.2696(7) 0.8208(5) 0.043(4) Uani 1 1 d . . . H12 H 0.3421 0.2717 0.8340 0.052 Uiso 1 1 calc R . . C13 C 0.3137(5) 0.3535(7) 0.6798(4) 0.026(3) Uani 1 1 d . . . C14 C 0.3151(7) 0.2982(7) 0.6454(4) 0.038(4) Uani 1 1 d . . . H14 H 0.3505 0.2360 0.6499 0.045 Uiso 1 1 calc R . . C15 C 0.2655(7) 0.3350(7) 0.6062(5) 0.038(4) Uani 1 1 d . . . H15 H 0.2658 0.2980 0.5835 0.046 Uiso 1 1 calc R . . C16 C 0.2158(7) 0.4235(8) 0.5991(4) 0.038(4) Uani 1 1 d . . . H16 H 0.1824 0.4487 0.5713 0.046 Uiso 1 1 calc R . . C17 C 0.2138(7) 0.4781(8) 0.6333(5) 0.048(4) Uani 1 1 d . . . H17 H 0.1776 0.5402 0.6288 0.058 Uiso 1 1 calc R . . C18 C 0.2629(6) 0.4430(7) 0.6723(4) 0.037(4) Uani 1 1 d . . . H18 H 0.2622 0.4806 0.6947 0.045 Uiso 1 1 calc R . . C19 C 0.1149(6) 0.6234(7) 0.7673(4) 0.032(3) Uani 1 1 d . . . C20 C 0.1173(7) 0.6697(8) 0.7233(4) 0.047(4) Uani 1 1 d . . . H20 H 0.1568 0.6959 0.7184 0.056 Uiso 1 1 calc R . . C21 C 0.0648(7) 0.6779(8) 0.6880(5) 0.050(4) Uani 1 1 d . . . H21 H 0.0649 0.7129 0.6594 0.060 Uiso 1 1 calc R . . C22 C 0.0126(7) 0.6373(8) 0.6927(5) 0.052(4) Uani 1 1 d . . . H22 H -0.0240 0.6433 0.6675 0.063 Uiso 1 1 calc R . . C23 C 0.0120(7) 0.5876(9) 0.7334(5) 0.063(5) Uani 1 1 d . . . H23 H -0.0238 0.5574 0.7358 0.076 Uiso 1 1 calc R . . C24 C 0.0632(8) 0.5790(9) 0.7728(5) 0.061(5) Uani 1 1 d . . . H24 H 0.0619 0.5445 0.8014 0.074 Uiso 1 1 calc R . . C25 C 0.1759(6) 0.4808(7) 0.8683(5) 0.037(4) Uani 1 1 d . . . H25 H 0.2066 0.4487 0.8416 0.044 Uiso 1 1 calc R . . C26 C 0.1557(7) 0.4375(8) 0.9109(5) 0.050(4) Uani 1 1 d . . . H26 H 0.1750 0.3756 0.9123 0.059 Uiso 1 1 calc R . . C27 C 0.1102(7) 0.4815(8) 0.9491(5) 0.047(4) Uani 1 1 d . . . H27 H 0.0966 0.4517 0.9767 0.057 Uiso 1 1 calc R . . C28 C 0.0835(8) 0.5731(9) 0.9468(5) 0.062(5) Uani 1 1 d . . . H28 H 0.0516 0.6050 0.9733 0.074 Uiso 1 1 calc R . . C29 C 0.1025(7) 0.6182(7) 0.9064(4) 0.040(4) Uani 1 1 d . . . H29 H 0.0840 0.6799 0.9057 0.048 Uiso 1 1 calc R . . C30 C 0.1491(6) 0.5716(7) 0.8671(4) 0.029(3) Uani 1 1 d . . . C31 C 0.1327(6) 0.7365(7) 0.8276(4) 0.030(3) Uani 1 1 d . . . C32 C 0.0390(7) 0.7917(7) 0.8253(4) 0.037(4) Uani 1 1 d . . . H32 H 0.0013 0.7693 0.8156 0.045 Uiso 1 1 calc R . . C33 C 0.0028(8) 0.8776(8) 0.8370(5) 0.052(5) Uani 1 1 d . . . H33 H -0.0597 0.9143 0.8341 0.062 Uiso 1 1 calc R . . C34 C 0.0535(8) 0.9115(8) 0.8525(6) 0.061(5) Uani 1 1 d . . . H34 H 0.0262 0.9699 0.8623 0.073 Uiso 1 1 calc R . . C35 C 0.1455(7) 0.8602(8) 0.8540(4) 0.045(4) Uani 1 1 d . . . H35 H 0.1824 0.8840 0.8630 0.054 Uiso 1 1 calc R . . C36 C 0.1839(6) 0.7715(7) 0.8418(4) 0.032(3) Uani 1 1 d . . . H36 H 0.2468 0.7358 0.8435 0.038 Uiso 1 1 calc R . . C37 C 0.4169(6) 0.8235(7) 0.6605(4) 0.033(3) Uani 1 1 d . . . C38 C 0.4511(7) 0.7679(8) 0.6225(5) 0.049(4) Uani 1 1 d . . . H38 H 0.4512 0.7120 0.6260 0.059 Uiso 1 1 calc R . . C39 C 0.4823(8) 0.7925(8) 0.5832(5) 0.059(4) Uani 1 1 d . . . H39 H 0.5006 0.7550 0.5579 0.071 Uiso 1 1 calc R . . C40 C 0.4907(9) 0.8715(9) 0.5756(5) 0.065(5) Uani 1 1 d . . . H40 H 0.5190 0.8840 0.5471 0.077 Uiso 1 1 calc R . . C41 C 0.4586(9) 0.9276(10) 0.6087(6) 0.077(6) Uani 1 1 d . . . H41 H 0.4603 0.9827 0.6034 0.093 Uiso 1 1 calc R . . C42 C 0.4203(7) 0.9059(7) 0.6538(5) 0.050(4) Uani 1 1 d . . . H42 H 0.3982 0.9457 0.6781 0.060 Uiso 1 1 calc R . . C43 C 0.2432(6) 0.8465(6) 0.6866(4) 0.030(3) Uani 1 1 d . . . C44 C 0.2268(7) 0.8841(8) 0.6399(4) 0.044(4) Uani 1 1 d . . . H44 H 0.2736 0.8827 0.6178 0.053 Uiso 1 1 calc R . . C45 C 0.1346(7) 0.9252(7) 0.6273(5) 0.052(4) Uani 1 1 d . . . H45 H 0.1205 0.9518 0.5959 0.062 Uiso 1 1 calc R . . C46 C 0.0667(7) 0.9279(8) 0.6581(5) 0.043(4) Uani 1 1 d . . . H46 H 0.0065 0.9556 0.6484 0.051 Uiso 1 1 calc R . . C47 C 0.0870(7) 0.8899(9) 0.7035(5) 0.063(5) Uani 1 1 d . . . H47 H 0.0407 0.8924 0.7262 0.075 Uiso 1 1 calc R . . C48 C 0.1749(7) 0.8481(7) 0.7159(5) 0.043(3) Uani 1 1 d U . . H48 H 0.1882 0.8188 0.7469 0.052 Uiso 1 1 calc R . . C49 C 0.3396(6) 0.8763(6) 0.7541(4) 0.022(3) Uani 1 1 d . . . C50 C 0.2776(6) 0.9624(6) 0.7481(4) 0.029(3) Uani 1 1 d . . . H50 H 0.2433 0.9819 0.7205 0.035 Uiso 1 1 calc R . . C51 C 0.2623(7) 1.0230(8) 0.7808(5) 0.050(4) Uani 1 1 d . . . H51 H 0.2162 1.0821 0.7770 0.060 Uiso 1 1 calc R . . C52 C 0.3181(7) 0.9929(8) 0.8198(5) 0.047(4) Uani 1 1 d . . . H52 H 0.3131 1.0333 0.8417 0.056 Uiso 1 1 calc R . . C53 C 0.3773(8) 0.9091(8) 0.8264(5) 0.058(4) Uani 1 1 d . . . H53 H 0.4094 0.8883 0.8548 0.069 Uiso 1 1 calc R . . C54 C 0.3946(7) 0.8461(7) 0.7895(5) 0.048(4) Uani 1 1 d . . . H54 H 0.4424 0.7878 0.7915 0.058 Uiso 1 1 calc R . . C55 C 0.6341(6) 0.7350(7) 0.8237(4) 0.030(3) Uani 1 1 d . . . C56 C 0.6175(6) 0.8216(6) 0.8128(4) 0.020(2) Uani 1 1 d U . . H56 H 0.6242 0.8427 0.7808 0.024 Uiso 1 1 calc R . . C57 C 0.5903(7) 0.8784(8) 0.8498(5) 0.056(5) Uani 1 1 d . . . H57 H 0.5878 0.9354 0.8437 0.067 Uiso 1 1 calc R . . C58 C 0.5673(7) 0.8517(7) 0.8949(5) 0.046(4) Uani 1 1 d . . . H58 H 0.5425 0.8921 0.9188 0.055 Uiso 1 1 calc R . . C59 C 0.5810(6) 0.7649(7) 0.9045(4) 0.037(3) Uani 1 1 d . . . H59 H 0.5666 0.7446 0.9352 0.045 Uiso 1 1 calc R . . C60 C 0.6161(6) 0.7083(6) 0.8681(4) 0.025(3) Uani 1 1 d . . . H60 H 0.6279 0.6484 0.8750 0.030 Uiso 1 1 calc R . . C61 C 0.7091(7) 0.7031(7) 0.7290(4) 0.031(3) Uani 1 1 d U . . C62 C 0.7759(6) 0.7347(7) 0.7234(4) 0.032(3) Uani 1 1 d . . . H62 H 0.8109 0.7272 0.7496 0.039 Uiso 1 1 calc R . . C63 C 0.7899(8) 0.7746(8) 0.6820(5) 0.053(4) Uani 1 1 d . . . H63 H 0.8330 0.7965 0.6798 0.064 Uiso 1 1 calc R . . C64 C 0.7426(8) 0.7845(8) 0.6424(5) 0.055(4) Uani 1 1 d . . . H64 H 0.7552 0.8106 0.6131 0.066 Uiso 1 1 calc R . . C65 C 0.6797(8) 0.7575(8) 0.6452(5) 0.059(4) Uani 1 1 d . . . H65 H 0.6466 0.7659 0.6180 0.071 Uiso 1 1 calc R . . C66 C 0.6619(8) 0.7174(8) 0.6871(5) 0.047(4) Uani 1 1 d . . . H66 H 0.6166 0.6986 0.6880 0.057 Uiso 1 1 calc R . . C67 C 0.7964(6) 0.5783(6) 0.8061(4) 0.023(3) Uani 1 1 d . . . C68 C 0.8297(6) 0.6043(7) 0.8404(4) 0.033(4) Uani 1 1 d . . . H68 H 0.7962 0.6608 0.8522 0.040 Uiso 1 1 calc R . . C69 C 0.9148(7) 0.5454(7) 0.8578(5) 0.041(4) Uani 1 1 d . . . H69 H 0.9401 0.5633 0.8805 0.049 Uiso 1 1 calc R . . C70 C 0.9609(7) 0.4629(7) 0.8422(5) 0.040(4) Uani 1 1 d . . . H70 H 1.0169 0.4225 0.8550 0.049 Uiso 1 1 calc R . . C71 C 0.9251(6) 0.4379(7) 0.8070(5) 0.038(4) Uani 1 1 d . . . H71 H 0.9581 0.3814 0.7951 0.046 Uiso 1 1 calc R . . C72 C 0.8441(6) 0.4943(7) 0.7901(4) 0.031(3) Uani 1 1 d . . . H72 H 0.8194 0.4765 0.7671 0.038 Uiso 1 1 calc R . . C73 C 0.5991(6) 0.4890(6) 0.9002(4) 0.016(3) Uani 1 1 d U . . C74 C 0.6846(6) 0.4474(6) 0.8778(4) 0.025(3) Uani 1 1 d . . . H74 H 0.6912 0.4231 0.8483 0.030 Uiso 1 1 calc R . . C75 C 0.7585(6) 0.4414(7) 0.8979(4) 0.032(3) Uani 1 1 d . . . H75 H 0.8166 0.4101 0.8834 0.038 Uiso 1 1 calc R . . C76 C 0.7477(7) 0.4821(7) 0.9402(5) 0.041(4) Uani 1 1 d . . . H76 H 0.7984 0.4811 0.9532 0.049 Uiso 1 1 calc R . . C77 C 0.6644(6) 0.5233(7) 0.9629(4) 0.033(3) Uani 1 1 d . . . H77 H 0.6584 0.5483 0.9921 0.039 Uiso 1 1 calc R . . C78 C 0.5893(6) 0.5284(6) 0.9432(4) 0.028(3) Uani 1 1 d . . . H78 H 0.5317 0.5581 0.9584 0.034 Uiso 1 1 calc R . . C79 C 0.4110(6) 0.5934(6) 0.8978(4) 0.020(3) Uani 1 1 d U . . C80 C 0.4164(6) 0.6725(6) 0.8881(4) 0.026(3) Uani 1 1 d . . . H80 H 0.4602 0.6760 0.8653 0.031 Uiso 1 1 calc R . . C81 C 0.3593(6) 0.7448(7) 0.9109(4) 0.032(3) Uani 1 1 d . . . H81 H 0.3659 0.7974 0.9050 0.038 Uiso 1 1 calc R . . C82 C 0.2924(7) 0.7439(7) 0.9423(4) 0.034(4) Uani 1 1 d . . . H82 H 0.2535 0.7946 0.9584 0.041 Uiso 1 1 calc R . . C83 C 0.2836(7) 0.6677(7) 0.9497(4) 0.039(4) Uani 1 1 d . . . H83 H 0.2362 0.6661 0.9702 0.047 Uiso 1 1 calc R . . C84 C 0.3434(7) 0.5922(7) 0.9275(4) 0.032(4) Uani 1 1 d . . . H84 H 0.3367 0.5396 0.9332 0.039 Uiso 1 1 calc R . . C85 C 0.4848(6) 0.4042(6) 0.9086(4) 0.017(3) Uani 1 1 d . . . C86 C 0.4171(7) 0.3843(7) 0.8983(4) 0.035(4) Uani 1 1 d . . . H86 H 0.3813 0.4159 0.8720 0.042 Uiso 1 1 calc R . . C87 C 0.4004(7) 0.3210(7) 0.9248(4) 0.035(4) Uani 1 1 d . . . H87 H 0.3544 0.3082 0.9163 0.043 Uiso 1 1 calc R . . C88 C 0.4506(7) 0.2755(7) 0.9639(4) 0.031(3) Uani 1 1 d . . . H88 H 0.4372 0.2338 0.9837 0.037 Uiso 1 1 calc R . . C89 C 0.5214(6) 0.2917(6) 0.9742(4) 0.028(3) Uani 1 1 d . . . H89 H 0.5597 0.2574 0.9993 0.034 Uiso 1 1 calc R . . C90 C 0.5355(7) 0.3576(6) 0.9478(4) 0.028(3) Uani 1 1 d . . . H90 H 0.5806 0.3714 0.9565 0.034 Uiso 1 1 calc R . . C91 C 0.5986(6) 0.1246(6) 0.8767(4) 0.026(3) Uani 1 1 d U . . C92 C 0.5258(7) 0.1304(6) 0.8549(5) 0.041(4) Uani 1 1 d . . . H92 H 0.5149 0.1563 0.8231 0.049 Uiso 1 1 calc R . . C93 C 0.4687(7) 0.0999(7) 0.8778(5) 0.044(4) Uani 1 1 d . . . H93 H 0.4214 0.1011 0.8613 0.053 Uiso 1 1 calc R . . C94 C 0.4802(8) 0.0670(8) 0.9254(5) 0.051(5) Uani 1 1 d . . . H94 H 0.4391 0.0484 0.9418 0.061 Uiso 1 1 calc R . . C95 C 0.5513(7) 0.0615(7) 0.9487(5) 0.050(4) Uani 1 1 d . . . H95 H 0.5612 0.0378 0.9809 0.060 Uiso 1 1 calc R . . C96 C 0.6078(7) 0.0918(7) 0.9237(5) 0.040(4) Uani 1 1 d . . . H96 H 0.6558 0.0899 0.9399 0.048 Uiso 1 1 calc R . . C97 C 0.7548(7) 0.1484(7) 0.8857(4) 0.036(4) Uani 1 1 d . . . C98 C 0.7545(7) 0.2234(7) 0.9011(4) 0.032(4) Uani 1 1 d . . . H98 H 0.7148 0.2809 0.8883 0.038 Uiso 1 1 calc R . . C99 C 0.8141(8) 0.2118(8) 0.9358(5) 0.046(4) Uani 1 1 d . . . H99 H 0.8128 0.2629 0.9467 0.055 Uiso 1 1 calc R . . C100 C 0.8733(8) 0.1318(9) 0.9546(5) 0.069(5) Uani 1 1 d . . . H100 H 0.9111 0.1265 0.9790 0.083 Uiso 1 1 calc R . . C101 C 0.8771(8) 0.0589(9) 0.9375(5) 0.063(5) Uani 1 1 d . . . H101 H 0.9198 0.0017 0.9491 0.076 Uiso 1 1 calc R . . C102 C 0.8176(7) 0.0677(8) 0.9024(5) 0.046(4) Uani 1 1 d . . . H102 H 0.8219 0.0162 0.8904 0.055 Uiso 1 1 calc R . . C103 C 0.7372(6) 0.0756(7) 0.8035(4) 0.028(3) Uani 1 1 d . . . C104 C 0.7348(6) -0.0058(7) 0.8087(4) 0.032(4) Uani 1 1 d . . . H104 H 0.6967 -0.0168 0.8326 0.039 Uiso 1 1 calc R . . C105 C 0.7889(7) -0.0705(7) 0.7783(5) 0.043(4) Uani 1 1 d . . . H105 H 0.7881 -0.1261 0.7821 0.052 Uiso 1 1 calc R . . C106 C 0.8417(6) -0.0561(7) 0.7442(5) 0.039(4) Uani 1 1 d . . . H106 H 0.8770 -0.1004 0.7233 0.046 Uiso 1 1 calc R . . C107 C 0.8449(7) 0.0247(8) 0.7392(5) 0.054(4) Uani 1 1 d . . . H107 H 0.8813 0.0357 0.7142 0.065 Uiso 1 1 calc R . . C108 C 0.7968(6) 0.0871(8) 0.7694(4) 0.033(3) Uani 1 1 d . . . H108 H 0.8038 0.1395 0.7674 0.040 Uiso 1 1 calc R . . C109 C 0.8707(6) 0.3895(6) 0.6810(4) 0.022(3) Uani 1 1 d U . . C110 C 0.8293(7) 0.4768(7) 0.6693(4) 0.035(4) Uani 1 1 d . . . H110 H 0.7660 0.5066 0.6746 0.042 Uiso 1 1 calc R . . C111 C 0.8721(8) 0.5273(7) 0.6500(5) 0.050(4) Uani 1 1 d . . . H111 H 0.8391 0.5893 0.6428 0.060 Uiso 1 1 calc R . . C112 C 0.9667(7) 0.4831(8) 0.6414(5) 0.046(4) Uani 1 1 d . . . H112 H 0.9976 0.5139 0.6256 0.055 Uiso 1 1 calc R . . C113 C 1.0123(7) 0.3954(8) 0.6565(5) 0.048(3) Uani 1 1 d U . . H113 H 1.0760 0.3668 0.6542 0.057 Uiso 1 1 calc R . . C114 C 0.9669(7) 0.3477(8) 0.6750(5) 0.041(4) Uani 1 1 d . . . H114 H 1.0000 0.2863 0.6840 0.049 Uiso 1 1 calc R . . C115 C 0.8894(6) 0.2420(6) 0.7447(4) 0.024(3) Uani 1 1 d . . . C116 C 0.9627(6) 0.1630(7) 0.7291(5) 0.037(4) Uani 1 1 d . . . H116 H 0.9686 0.1510 0.6967 0.045 Uiso 1 1 calc R . . C117 C 1.0236(7) 0.1055(8) 0.7601(5) 0.050(4) Uani 1 1 d . . . H117 H 1.0701 0.0519 0.7495 0.060 Uiso 1 1 calc R . . C118 C 1.0192(7) 0.1237(8) 0.8073(5) 0.051(4) Uani 1 1 d . . . H118 H 1.0646 0.0845 0.8282 0.061 Uiso 1 1 calc R . . C119 C 0.9485(7) 0.1987(8) 0.8234(5) 0.044(4) Uani 1 1 d . . . H119 H 0.9438 0.2100 0.8559 0.053 Uiso 1 1 calc R . . C120 C 0.8852(6) 0.2569(6) 0.7928(4) 0.029(3) Uani 1 1 d . . . H120 H 0.8373 0.3086 0.8044 0.035 Uiso 1 1 calc R . . C121 C 0.8149(6) 0.2693(7) 0.6544(4) 0.032(4) Uani 1 1 d . . . C122 C 0.8562(8) 0.2703(8) 0.6125(5) 0.054(4) Uani 1 1 d . . . H122 H 0.8846 0.3077 0.6074 0.065 Uiso 1 1 calc R . . C123 C 0.8616(8) 0.2219(9) 0.5756(5) 0.063(5) Uani 1 1 d . . . H123 H 0.8910 0.2274 0.5460 0.076 Uiso 1 1 calc R . . C124 C 0.8233(7) 0.1654(8) 0.5830(5) 0.052(4) Uani 1 1 d . . . H124 H 0.8286 0.1281 0.5593 0.063 Uiso 1 1 calc R . . C125 C 0.7784(8) 0.1644(8) 0.6245(5) 0.059(5) Uani 1 1 d . . . H125 H 0.7496 0.1274 0.6295 0.071 Uiso 1 1 calc R . . C126 C 0.4086(6) 0.5886(7) 0.5933(4) 0.023(3) Uani 1 1 d . . . C127 C 0.4144(7) 0.6295(7) 0.5500(4) 0.041(4) Uani 1 1 d . . . H127 H 0.4697 0.6060 0.5320 0.050 Uiso 1 1 calc R . . C128 C 0.3420(7) 0.7049(8) 0.5310(4) 0.043(4) Uani 1 1 d . . . H128 H 0.3484 0.7328 0.5008 0.051 Uiso 1 1 calc R . . C129 C 0.2599(7) 0.7389(7) 0.5571(5) 0.044(4) Uani 1 1 d . . . H129 H 0.2098 0.7901 0.5448 0.053 Uiso 1 1 calc R . . C130 C 0.2526(7) 0.6972(8) 0.6009(5) 0.047(4) Uani 1 1 d . . . H130 H 0.1965 0.7194 0.6182 0.056 Uiso 1 1 calc R . . C131 C 0.3250(6) 0.6242(7) 0.6201(4) 0.033(4) Uani 1 1 d . . . H131 H 0.3193 0.5978 0.6508 0.040 Uiso 1 1 calc R . . C132 C 0.6014(6) 0.4911(7) 0.5874(4) 0.027(3) Uani 1 1 d U . . C133 C 0.6260(8) 0.5519(8) 0.5980(5) 0.050(4) Uani 1 1 d . . . H133 H 0.5912 0.5911 0.6215 0.060 Uiso 1 1 calc R . . C134 C 0.6993(7) 0.5593(8) 0.5764(5) 0.057(4) Uani 1 1 d . . . H134 H 0.7171 0.6003 0.5858 0.068 Uiso 1 1 calc R . . C135 C 0.7228(7) 0.4436(9) 0.5296(5) 0.057(5) Uani 1 1 d . . . H135 H 0.7567 0.4054 0.5055 0.069 Uiso 1 1 calc R . . C136 C 0.6494(7) 0.4355(8) 0.5531(5) 0.044(4) Uani 1 1 d . . . H136 H 0.6335 0.3920 0.5454 0.053 Uiso 1 1 calc R . . C137 C 0.4907(6) 0.3997(7) 0.5952(4) 0.031(3) Uani 1 1 d . . . C138 C 0.4327(6) 0.4109(7) 0.5604(4) 0.026(3) Uani 1 1 d . . . H138 H 0.3926 0.4690 0.5485 0.032 Uiso 1 1 calc R . . C139 C 0.4323(7) 0.3422(8) 0.5433(5) 0.042(4) Uani 1 1 d . . . H139 H 0.3940 0.3515 0.5183 0.050 Uiso 1 1 calc R . . C140 C 0.4872(8) 0.2564(8) 0.5616(5) 0.049(4) Uani 1 1 d . . . H140 H 0.4842 0.2073 0.5508 0.058 Uiso 1 1 calc R . . C141 C 0.5449(9) 0.2449(9) 0.5950(5) 0.065(5) Uani 1 1 d . . . H141 H 0.5858 0.1864 0.6060 0.078 Uiso 1 1 calc R . . C142 C 0.7730(7) 0.2158(8) 0.6600(5) 0.049(4) Uani 1 1 d . . . H142 H 0.7397 0.2141 0.6888 0.059 Uiso 1 1 calc R . . C143 C 0.7461(7) 0.5051(9) 0.5406(5) 0.055(5) Uani 1 1 d . . . H143 H 0.7949 0.5110 0.5237 0.066 Uiso 1 1 calc R . . C144 C 0.5465(8) 0.3150(9) 0.6139(5) 0.054(4) Uani 1 1 d . . . H144 H 0.5847 0.3055 0.6390 0.065 Uiso 1 1 calc R . . N11 N 0.70102(5) 0.80433(6) 0.49669(5) 0.145(6) Uani 1 1 d D . . O11 O 0.70645(7) 0.72557(5) 0.51870(7) 0.134(6) Uani 1 1 d D . . O12 O 0.64101(6) 0.84559(11) 0.47687(6) 0.108(4) Uani 1 1 d D . . O13 O 0.75776(6) 0.81223(9) 0.51553(8) 0.134(6) Uani 1 1 d D . . N21 N 0.281405(12) 0.98525(4) 0.95193(6) 0.0999(10) Uani 1 1 d DU . . O21 O 0.27065(13) 1.07096(8) 0.9468(4) 0.1531(17) Uani 1 1 d DU . . O22 O 0.35029(9) 0.93318(12) 0.9503(3) 0.1307(16) Uani 1 1 d DU . . O23 O 0.20726(3) 0.99546(10) 0.94615(11) 0.255(2) Uani 1 1 d DU . . C550 C 0.9503(5) 0.6232(8) 0.5253(3) 0.077(6) Uani 0.60 1 d PDU . . H55A H 0.8899 0.6715 0.5321 0.093 Uiso 0.60 1 calc PR . . H55B H 0.9515 0.5680 0.5414 0.093 Uiso 0.60 1 calc PR . . Cl50 Cl 1.0211(4) 0.6419(4) 0.5506(2) 0.077(2) Uani 0.60 1 d PD . . Cl51 Cl 0.9611(4) 0.6132(4) 0.46537(19) 0.073(2) Uani 0.60 1 d PD . . C510 C 0.1981(7) 0.1277(12) 0.6058(5) 0.084(9) Uani 0.71 1 d PD . . H51A H 0.2376 0.0643 0.6021 0.100 Uiso 0.71 1 calc PR . . H51B H 0.2201 0.1614 0.5820 0.100 Uiso 0.71 1 calc PR . . Cl10 Cl 0.2124(3) 0.1473(3) 0.65700(19) 0.0585(16) Uani 0.71 1 d PD . . Cl11 Cl 0.0939(3) 0.1499(3) 0.5906(2) 0.0683(18) Uani 0.71 1 d PD . . C520 C 0.2535(12) 0.1732(13) 1.0378(8) 0.090(5) Uani 0.75 1 d PU . . H52A H 0.3173 0.1417 1.0461 0.108 Uiso 0.75 1 calc PR . . H52B H 0.2422 0.1366 1.0172 0.108 Uiso 0.75 1 calc PR . . Cl20 Cl 0.1768(3) 0.1908(3) 1.0957(2) 0.0740(17) Uani 0.75 1 d P . . Cl21 Cl 0.2343(4) 0.2614(4) 1.0114(3) 0.118(2) Uani 0.75 1 d P . . C530 C 0.0460(12) 0.2126(10) 0.9695(5) 0.095(6) Uani 0.63 1 d PDU . . H53A H 0.1060 0.2066 0.9749 0.114 Uiso 0.63 1 calc PR . . H53B H 0.0563 0.1633 0.9507 0.114 Uiso 0.63 1 calc PR . . Cl30 Cl -0.0006(3) 0.2989(3) 0.9360(2) 0.0531(18) Uani 0.63 1 d PD . . Cl31 Cl 0.0045(4) 0.1921(4) 1.0231(2) 0.079(2) Uani 0.63 1 d PD . . C540 C 0.9127(8) 0.8829(10) 0.5497(4) 0.115(7) Uani 0.61 1 d PDU . . H54A H 0.8552 0.9068 0.5337 0.138 Uiso 0.61 1 calc PR . . H54B H 0.9441 0.8186 0.5464 0.138 Uiso 0.61 1 calc PR . . Cl40 Cl 0.8894(4) 0.8965(5) 0.6056(3) 0.124(2) Uani 0.61 1 d PDU . . Cl41 Cl 0.9761(5) 0.9287(6) 0.5190(3) 0.149(3) Uani 0.61 1 d PDU . . C560 C 0.6392(13) 0.0221(12) 0.5222(8) 0.076(8) Uani 0.70 1 d P . . H56A H 0.5775 0.0647 0.5133 0.092 Uiso 0.70 1 calc PR . . H56B H 0.6535 -0.0347 0.5095 0.092 Uiso 0.70 1 calc PR . . Cl60 Cl 0.6418(4) 0.0073(3) 0.5805(2) 0.083(2) Uani 0.70 1 d P . . Cl61 Cl 0.7150(4) 0.0621(4) 0.4942(2) 0.090(2) Uani 0.70 1 d P . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Au1 0.01919(17) 0.0247(2) 0.0228(3) -0.00540(19) 0.00249(18) -0.00893(15) Au2 0.02289(18) 0.0187(2) 0.0259(3) -0.00213(19) 0.00094(19) -0.00812(15) Au3 0.02357(17) 0.0225(2) 0.0264(3) -0.00315(19) -0.00274(18) -0.01234(15) Au4 0.02895(19) 0.0321(2) 0.0135(3) -0.00509(19) -0.00147(19) -0.01227(17) Au5 0.02322(18) 0.0205(2) 0.0231(3) -0.00199(19) -0.00249(18) -0.00804(15) Au6 0.01826(16) 0.01888(19) 0.0121(2) -0.00371(17) -0.00001(16) -0.00902(14) Au7 0.02652(18) 0.0256(2) 0.0282(3) -0.0050(2) -0.00264(19) -0.01446(16) Au8 0.01948(18) 0.0269(2) 0.0275(3) -0.0038(2) 0.00029(19) -0.00935(16) P1 0.0260(12) 0.0270(14) 0.0070(16) -0.0050(12) 0.0031(12) -0.0142(10) P2 0.0278(13) 0.0237(14) 0.031(2) -0.0038(14) -0.0005(14) -0.0112(11) P3 0.0192(11) 0.0264(14) 0.027(2) 0.0015(13) -0.0005(12) -0.0120(10) P4 0.0292(13) 0.0444(17) 0.0139(18) -0.0039(14) -0.0031(13) -0.0143(12) P5 0.0261(13) 0.0142(13) 0.028(2) -0.0002(13) -0.0013(13) -0.0056(11) P6 0.0357(13) 0.0314(15) 0.033(2) -0.0111(14) -0.0022(14) -0.0220(11) P7 0.0180(12) 0.0309(15) 0.0247(19) -0.0072(14) 0.0017(13) -0.0066(11) P8 0.0195(12) 0.0322(15) 0.034(2) -0.0102(14) -0.0029(13) -0.0093(11) C1 0.017(4) 0.038(5) 0.040(6) 0.008(4) -0.022(4) -0.009(3) C2 0.015(3) 0.025(3) 0.027(4) -0.002(3) -0.005(3) -0.006(2) C3 0.092(7) 0.056(7) 0.063(11) -0.016(7) -0.018(8) -0.055(6) C4 0.057(6) 0.033(6) 0.022(8) -0.008(5) 0.002(6) -0.029(5) C5 0.042(6) 0.087(9) 0.021(8) -0.014(7) 0.021(6) -0.033(6) C6 0.054(6) 0.032(6) 0.028(8) -0.017(5) 0.028(6) -0.029(5) C7 0.031(5) 0.011(5) 0.037(8) -0.012(5) -0.012(5) -0.007(4) C8 0.044(6) 0.021(5) 0.044(9) -0.008(5) 0.009(6) -0.019(4) C9 0.017(5) 0.061(7) 0.069(10) -0.036(7) 0.013(6) -0.020(5) C10 0.049(7) 0.046(7) 0.053(10) -0.029(7) 0.020(7) -0.013(6) C11 0.062(6) 0.037(6) 0.053(10) -0.015(6) 0.007(7) -0.033(5) C12 0.041(6) 0.026(6) 0.070(11) -0.009(6) -0.015(7) -0.019(5) C13 0.013(4) 0.037(6) 0.038(8) -0.003(5) 0.000(5) -0.019(4) C14 0.049(6) 0.033(6) 0.035(9) 0.002(6) -0.008(6) -0.023(5) C15 0.049(6) 0.042(6) 0.035(9) -0.013(6) 0.003(6) -0.029(5) C16 0.044(6) 0.063(7) 0.014(7) 0.007(6) 0.000(5) -0.032(5) C17 0.053(7) 0.043(7) 0.046(10) -0.006(7) 0.006(7) -0.021(6) C18 0.039(5) 0.050(7) 0.030(8) 0.005(6) -0.006(6) -0.028(5) C19 0.025(5) 0.031(6) 0.047(9) 0.003(6) -0.006(5) -0.020(4) C20 0.050(5) 0.096(8) 0.020(8) -0.008(7) 0.009(6) -0.056(5) C21 0.050(6) 0.082(8) 0.039(9) -0.008(7) -0.007(6) -0.045(5) C22 0.038(6) 0.078(9) 0.046(10) 0.009(7) -0.019(6) -0.032(6) C23 0.056(6) 0.113(9) 0.047(10) 0.005(8) -0.008(7) -0.063(6) C24 0.071(7) 0.091(9) 0.045(10) -0.006(8) -0.003(7) -0.055(6) C25 0.011(5) 0.029(6) 0.066(10) -0.014(6) -0.006(5) -0.003(4) C26 0.044(6) 0.043(7) 0.056(11) -0.010(7) 0.022(7) -0.018(5) C27 0.073(7) 0.047(7) 0.029(9) 0.013(6) 0.007(7) -0.039(6) C28 0.082(9) 0.054(8) 0.038(10) -0.001(7) 0.021(8) -0.026(7) C29 0.059(6) 0.044(6) 0.028(8) -0.005(6) 0.021(6) -0.036(5) C30 0.019(5) 0.026(6) 0.039(8) 0.006(6) -0.007(5) -0.007(4) C31 0.028(5) 0.033(6) 0.029(8) -0.002(5) -0.015(5) -0.010(4) C32 0.034(5) 0.043(7) 0.031(8) -0.003(6) -0.013(6) -0.013(5) C33 0.035(6) 0.026(7) 0.066(11) 0.006(7) -0.020(7) 0.010(6) C34 0.053(8) 0.032(7) 0.082(13) 0.002(8) 0.003(8) -0.007(6) C35 0.041(6) 0.061(8) 0.036(9) 0.012(7) -0.019(6) -0.025(5) C36 0.026(5) 0.035(6) 0.033(8) -0.004(6) 0.001(5) -0.014(5) C37 0.031(5) 0.038(6) 0.040(8) -0.028(5) 0.021(5) -0.023(4) C38 0.057(7) 0.060(8) 0.034(9) -0.006(7) 0.020(7) -0.032(6) C39 0.093(8) 0.057(8) 0.045(10) -0.015(7) 0.005(8) -0.047(6) C40 0.088(9) 0.075(9) 0.025(9) 0.002(8) 0.025(8) -0.039(7) C41 0.083(9) 0.058(9) 0.074(13) 0.006(9) 0.043(9) -0.029(7) C42 0.059(7) 0.040(7) 0.062(11) -0.009(7) 0.010(7) -0.032(5) C43 0.048(5) 0.022(5) 0.035(8) 0.000(5) -0.003(6) -0.029(4) C44 0.042(6) 0.071(8) 0.019(8) 0.009(7) -0.010(6) -0.025(6) C45 0.077(7) 0.046(7) 0.045(9) 0.023(6) -0.036(7) -0.038(6) C46 0.022(5) 0.054(8) 0.041(9) -0.006(7) -0.010(6) -0.006(5) C47 0.026(6) 0.108(10) 0.056(11) -0.006(9) -0.001(7) -0.033(6) C48 0.049(5) 0.054(5) 0.033(6) 0.000(5) 0.000(5) -0.031(4) C49 0.020(5) 0.006(5) 0.037(8) -0.008(5) 0.003(5) -0.002(4) C50 0.029(5) 0.036(6) 0.033(8) -0.007(5) -0.006(5) -0.022(4) C51 0.046(6) 0.055(7) 0.057(10) -0.017(7) 0.002(7) -0.027(6) C52 0.025(5) 0.052(8) 0.058(10) -0.007(7) 0.005(6) -0.014(5) C53 0.068(7) 0.070(9) 0.040(9) 0.022(7) -0.042(7) -0.035(6) C54 0.067(6) 0.027(6) 0.066(10) 0.027(6) -0.042(7) -0.034(5) C55 0.032(5) 0.043(6) 0.026(8) -0.005(5) 0.012(5) -0.029(4) C56 0.018(3) 0.018(3) 0.019(4) -0.001(3) 0.009(3) -0.006(2) C57 0.035(6) 0.048(7) 0.091(13) -0.004(8) 0.001(7) -0.027(5) C58 0.039(6) 0.030(6) 0.080(11) -0.026(6) 0.005(7) -0.021(5) C59 0.047(6) 0.057(7) 0.020(8) -0.011(6) 0.011(6) -0.035(5) C60 0.039(5) 0.013(5) 0.026(7) -0.005(5) -0.009(5) -0.011(4) C61 0.043(5) 0.022(5) 0.029(6) -0.003(4) -0.021(4) -0.011(4) C62 0.040(5) 0.037(6) 0.024(8) 0.004(6) -0.004(5) -0.022(5) C63 0.065(7) 0.041(7) 0.068(12) -0.010(7) 0.001(8) -0.036(5) C64 0.084(7) 0.070(8) 0.026(9) 0.026(7) -0.012(7) -0.055(6) C65 0.085(8) 0.060(8) 0.041(10) 0.030(7) -0.031(7) -0.043(6) C66 0.045(6) 0.057(8) 0.033(9) 0.021(7) -0.007(6) -0.021(6) C67 0.033(4) 0.016(5) 0.030(7) 0.011(5) -0.017(5) -0.019(4) C68 0.034(5) 0.028(6) 0.035(8) 0.005(6) -0.012(6) -0.011(5) C69 0.029(5) 0.035(6) 0.061(10) -0.009(6) 0.003(6) -0.016(5) C70 0.025(5) 0.029(6) 0.059(10) 0.011(6) 0.000(6) -0.010(5) C71 0.025(5) 0.030(6) 0.049(9) -0.012(6) 0.004(6) -0.001(5) C72 0.029(5) 0.035(6) 0.039(8) -0.014(5) -0.007(5) -0.019(4) C73 0.019(4) 0.021(4) 0.008(5) -0.005(4) 0.007(4) -0.009(3) C74 0.025(4) 0.033(5) 0.026(7) 0.003(5) -0.006(5) -0.023(4) C75 0.027(5) 0.044(6) 0.031(8) -0.010(6) 0.006(5) -0.022(4) C76 0.036(5) 0.036(6) 0.060(10) 0.010(6) -0.023(6) -0.023(5) C77 0.042(6) 0.044(6) 0.015(7) 0.002(5) -0.006(5) -0.023(5) C78 0.036(5) 0.022(6) 0.025(8) 0.007(5) -0.005(5) -0.014(4) C79 0.022(4) 0.024(4) 0.011(5) -0.005(4) -0.004(4) -0.005(3) C80 0.038(5) 0.027(6) 0.011(7) -0.001(5) -0.006(5) -0.013(4) C81 0.039(5) 0.026(6) 0.033(8) -0.012(5) -0.008(6) -0.015(4) C82 0.053(6) 0.018(6) 0.020(7) -0.004(5) -0.009(6) -0.005(5) C83 0.039(6) 0.044(7) 0.026(8) -0.009(6) 0.006(6) -0.011(5) C84 0.029(6) 0.019(6) 0.024(8) 0.004(5) 0.010(5) 0.007(5) C85 0.029(5) 0.012(5) 0.012(6) -0.002(4) 0.000(5) -0.010(4) C86 0.044(6) 0.029(6) 0.025(8) -0.010(6) -0.010(6) -0.008(5) C87 0.050(6) 0.027(6) 0.035(9) 0.000(6) 0.006(6) -0.024(5) C88 0.045(6) 0.026(6) 0.015(7) -0.006(5) 0.012(5) -0.012(5) C89 0.043(5) 0.027(6) 0.017(7) 0.005(5) -0.006(5) -0.018(5) C90 0.030(5) 0.015(5) 0.031(8) -0.010(5) 0.008(5) -0.004(4) C91 0.037(4) 0.015(4) 0.030(6) 0.004(4) -0.006(4) -0.016(3) C92 0.048(6) 0.015(5) 0.058(10) 0.012(6) 0.004(7) -0.018(5) C93 0.035(6) 0.027(6) 0.062(11) -0.009(6) 0.025(6) -0.010(5) C94 0.041(6) 0.035(7) 0.062(11) 0.010(7) 0.014(7) -0.011(5) C95 0.050(7) 0.027(7) 0.060(11) -0.001(7) 0.022(7) -0.011(6) C96 0.035(6) 0.028(7) 0.040(9) 0.003(6) -0.005(6) 0.001(5) C97 0.045(6) 0.024(6) 0.039(9) -0.014(6) -0.003(6) -0.013(5) C98 0.039(6) 0.016(6) 0.033(8) -0.003(5) 0.006(6) -0.007(5) C99 0.063(7) 0.040(7) 0.034(9) -0.001(6) -0.002(7) -0.022(6) C100 0.055(7) 0.073(9) 0.066(10) -0.038(8) -0.032(7) -0.005(7) C101 0.041(7) 0.071(10) 0.054(10) -0.004(8) -0.024(7) -0.002(7) C102 0.035(6) 0.030(7) 0.063(10) -0.019(7) -0.003(7) -0.004(5) C103 0.016(5) 0.027(6) 0.034(8) -0.005(5) 0.003(5) -0.003(4) C104 0.021(5) 0.030(6) 0.035(8) 0.001(6) 0.001(5) -0.004(5) C105 0.046(6) 0.023(6) 0.067(10) -0.017(6) -0.004(7) -0.018(5) C106 0.027(5) 0.028(6) 0.054(10) -0.009(6) 0.006(6) -0.006(5) C107 0.053(6) 0.060(7) 0.063(11) -0.029(7) 0.025(7) -0.037(5) C108 0.020(5) 0.056(7) 0.030(8) -0.017(6) 0.009(5) -0.022(5) C109 0.014(4) 0.031(5) 0.021(5) -0.008(4) 0.005(4) -0.009(3) C110 0.043(6) 0.050(7) 0.010(7) -0.006(6) 0.004(5) -0.019(5) C111 0.078(7) 0.029(6) 0.055(11) -0.003(6) 0.017(7) -0.038(5) C112 0.063(6) 0.064(7) 0.035(9) -0.022(6) 0.023(6) -0.050(5) C113 0.044(5) 0.060(5) 0.053(7) -0.002(5) 0.006(5) -0.038(4) C114 0.041(6) 0.039(7) 0.042(9) 0.016(6) -0.002(6) -0.022(5) C115 0.025(4) 0.028(5) 0.026(8) 0.007(5) 0.006(5) -0.020(4) C116 0.035(5) 0.054(7) 0.027(8) 0.007(6) -0.006(5) -0.025(5) C117 0.037(6) 0.061(8) 0.048(10) -0.014(7) 0.005(7) -0.017(6) C118 0.033(6) 0.051(7) 0.070(11) 0.020(7) -0.020(7) -0.023(5) C119 0.044(6) 0.061(8) 0.023(8) 0.001(6) 0.007(6) -0.024(6) C120 0.023(5) 0.022(5) 0.041(9) 0.000(6) 0.005(5) -0.012(4) C121 0.015(5) 0.035(7) 0.027(8) 0.002(6) 0.005(5) 0.003(5) C122 0.073(6) 0.061(7) 0.058(11) -0.024(7) 0.006(7) -0.053(5) C123 0.065(7) 0.107(10) 0.028(9) -0.026(8) 0.003(7) -0.044(7) C124 0.049(6) 0.071(8) 0.045(9) -0.030(7) -0.013(6) -0.027(6) C125 0.069(7) 0.060(8) 0.060(11) -0.020(7) -0.012(8) -0.035(6) C126 0.028(5) 0.038(6) 0.010(7) -0.002(5) 0.004(5) -0.022(4) C127 0.049(6) 0.054(7) 0.023(8) -0.017(6) -0.004(6) -0.021(5) C128 0.069(7) 0.056(7) 0.007(7) 0.005(6) -0.001(6) -0.033(6) C129 0.047(6) 0.034(7) 0.050(10) -0.011(6) -0.014(6) -0.013(5) C130 0.028(5) 0.067(8) 0.039(9) 0.010(7) 0.007(6) -0.020(5) C131 0.025(5) 0.037(6) 0.030(8) 0.008(6) -0.009(5) -0.010(5) C132 0.028(4) 0.036(5) 0.019(5) -0.009(4) -0.006(4) -0.014(3) C133 0.073(7) 0.058(8) 0.027(9) -0.003(7) 0.011(7) -0.039(6) C134 0.058(6) 0.079(8) 0.060(11) -0.015(7) 0.006(7) -0.055(5) C135 0.042(7) 0.087(10) 0.036(10) -0.008(8) 0.010(7) -0.025(7) C136 0.031(5) 0.060(8) 0.042(9) -0.008(7) -0.006(6) -0.020(5) C137 0.032(5) 0.056(6) 0.018(7) -0.021(5) 0.019(5) -0.031(4) C138 0.028(5) 0.031(6) 0.019(7) -0.006(5) 0.000(5) -0.012(4) C139 0.032(5) 0.068(8) 0.028(8) -0.011(7) 0.006(6) -0.025(5) C140 0.070(8) 0.040(7) 0.028(9) -0.010(6) -0.001(7) -0.017(6) C141 0.064(9) 0.034(8) 0.065(12) -0.007(8) -0.018(8) 0.008(7) C142 0.061(6) 0.073(8) 0.037(9) -0.013(7) 0.015(7) -0.051(5) C143 0.038(6) 0.078(9) 0.055(11) 0.006(8) -0.007(7) -0.033(6) C144 0.068(7) 0.073(9) 0.027(8) -0.009(7) -0.024(7) -0.032(7) N11 0.183(8) 0.259(13) 0.087(12) -0.011(10) -0.054(9) -0.173(8) O11 0.223(11) 0.119(9) 0.085(11) 0.015(8) -0.016(10) -0.102(8) O12 0.098(6) 0.204(10) 0.063(9) -0.032(7) 0.004(6) -0.101(6) O13 0.137(9) 0.179(12) 0.088(11) -0.034(9) -0.003(9) -0.070(9) N21 0.108 0.097 0.100 -0.012(3) -0.004(3) -0.049(2) O21 0.155 0.155 0.162 -0.022(6) -0.011(6) -0.078(4) O22 0.140 0.135 0.124 -0.008(6) -0.012(6) -0.068(4) O23 0.258 0.242 0.250 -0.015(7) 0.022(7) -0.106(5) C550 0.090(8) 0.067(8) 0.064(8) -0.008(6) -0.011(7) -0.024(5) Cl50 0.087(4) 0.063(4) 0.069(5) 0.015(4) -0.041(4) -0.023(3) Cl51 0.117(5) 0.056(4) 0.035(4) -0.010(3) -0.009(4) -0.027(3) C510 0.042(10) 0.094(15) 0.11(2) 0.037(14) -0.019(12) -0.033(10) Cl10 0.086(3) 0.040(3) 0.050(4) 0.013(2) -0.022(3) -0.029(2) Cl11 0.072(3) 0.055(3) 0.076(4) -0.007(3) -0.017(3) -0.025(2) C520 0.094(7) 0.088(7) 0.105(8) -0.024(6) -0.047(6) -0.044(5) Cl20 0.097(3) 0.084(3) 0.059(4) 0.015(3) -0.015(3) -0.059(2) Cl21 0.143(4) 0.142(4) 0.096(5) 0.067(4) -0.051(4) -0.098(3) C530 0.086(8) 0.101(8) 0.098(9) -0.006(7) 0.003(7) -0.044(5) Cl30 0.063(3) 0.041(3) 0.037(4) 0.000(3) 0.001(3) -0.009(2) Cl31 0.144(5) 0.051(3) 0.040(4) -0.011(3) -0.025(4) -0.038(3) C540 0.117(8) 0.113(8) 0.123(9) -0.013(7) -0.004(7) -0.057(6) Cl40 0.177(4) 0.203(5) 0.082(6) 0.046(4) -0.042(4) -0.170(3) Cl41 0.138(5) 0.204(6) 0.144(7) -0.119(5) 0.063(5) -0.100(5) C560 0.096(14) 0.022(10) 0.092(19) -0.019(11) -0.031(14) -0.002(10) Cl60 0.121(4) 0.037(3) 0.072(5) 0.010(3) -0.006(4) -0.022(3) Cl61 0.151(4) 0.073(3) 0.059(5) 0.008(3) -0.005(4) -0.065(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Au1 Au2 2.8748(6) . ? Au1 Au3 2.8701(6) . ? Au1 Au4 2.8852(6) . ? Au1 Au6 2.7318(5) . ? Au1 P7 2.322(3) . ? Au2 Au6 2.7290(5) . ? Au2 Au7 2.8882(6) . ? Au2 P5 2.317(3) . ? Au3 Au5 2.8664(5) . ? Au3 Au6 2.6828(6) . ? Au3 P3 2.290(3) . ? Au4 Au5 2.8777(6) . ? Au4 Au6 2.5827(6) . ? Au4 Au7 2.8925(7) . ? Au4 P4 2.260(3) . ? Au5 Au6 2.7950(6) . ? Au5 Au8 2.8723(7) . ? Au5 P2 2.339(3) . ? Au6 Au7 2.7352(6) . ? Au6 Au8 2.6783(5) . ? Au6 P1 2.382(3) . ? Au7 Au8 2.8453(6) . ? Au7 P6 2.316(3) . ? Au8 P8 2.290(3) . ? P1 C73 1.833(10) . ? P1 C79 1.860(9) . ? P1 C85 1.841(10) . ? P2 C37 1.764(12) . ? P2 C43 1.850(10) . ? P2 C49 1.843(11) . ? P3 C55 1.818(12) . ? P3 C61 1.760(12) . ? P3 C67 1.845(9) . ? P4 C126 1.794(9) . ? P4 C132 1.853(11) . ? P4 C137 1.826(12) . ? P5 C91 1.814(11) . ? P5 C97 1.804(12) . ? P5 C103 1.833(11) . ? P6 C1 1.857(10) . ? P6 C7 1.822(11) . ? P6 C13 1.805(11) . ? P7 C109 1.784(11) . ? P7 C115 1.792(10) . ? P7 C121 1.810(13) . ? P8 C19 1.831(12) . ? P8 C30 1.793(12) . ? P8 C31 1.790(11) . ? C1 C2 1.316(15) . ? C1 C6 1.386(14) . ? C2 H2 0.9500 . ? C2 C3 1.358(14) . ? C3 H3 0.9500 . ? C3 C4 1.442(16) . ? C4 H4 0.9500 . ? C4 C5 1.315(17) . ? C5 H5 0.9500 . ? C5 C6 1.396(15) . ? C6 H6 0.9500 . ? C7 C8 1.439(15) . ? C7 C12 1.332(17) . ? C8 H8 0.9500 . ? C8 C9 1.376(16) . ? C9 H9 0.9500 . ? C9 C10 1.388(18) . ? C10 H10 0.9500 . ? C10 C11 1.408(18) . ? C11 H11 0.9500 . ? C11 C12 1.395(17) . ? C12 H12 0.9500 . ? C13 C14 1.424(16) . ? C13 C18 1.368(14) . ? C14 H14 0.9500 . ? C14 C15 1.360(16) . ? C15 H15 0.9500 . ? C15 C16 1.352(14) . ? C16 H16 0.9500 . ? C16 C17 1.408(18) . ? C17 H17 0.9500 . ? C17 C18 1.348(17) . ? C18 H18 0.9500 . ? C19 C20 1.402(16) . ? C19 C24 1.381(17) . ? C20 H20 0.9500 . ? C20 C21 1.347(17) . ? C21 H21 0.9500 . ? C21 C22 1.336(18) . ? C22 H22 0.9500 . ? C22 C23 1.351(18) . ? C23 H23 0.9500 . ? C23 C24 1.423(19) . ? C24 H24 0.9500 . ? C25 H25 0.9500 . ? C25 C26 1.438(17) . ? C25 C30 1.401(15) . ? C26 H26 0.9500 . ? C26 C27 1.352(17) . ? C27 H27 0.9500 . ? C27 C28 1.412(17) . ? C28 H28 0.9500 . ? C28 C29 1.399(17) . ? C29 H29 0.9500 . ? C29 C30 1.398(16) . ? C31 C32 1.418(13) . ? C31 C36 1.360(16) . ? C32 H32 0.9500 . ? C32 C33 1.374(16) . ? C33 H33 0.9500 . ? C33 C34 1.36(2) . ? C34 H34 0.9500 . ? C34 C35 1.385(15) . ? C35 H35 0.9500 . ? C35 C36 1.420(16) . ? C36 H36 0.9500 . ? C37 C38 1.416(17) . ? C37 C42 1.426(16) . ? C38 H38 0.9500 . ? C38 C39 1.293(18) . ? C39 H39 0.9500 . ? C39 C40 1.413(19) . ? C40 H40 0.9500 . ? C40 C41 1.32(2) . ? C41 H41 0.9500 . ? C41 C42 1.461(19) . ? C42 H42 0.9500 . ? C43 C44 1.395(16) . ? C43 C48 1.342(15) . ? C44 H44 0.9500 . ? C44 C45 1.436(15) . ? C45 H45 0.9500 . ? C45 C46 1.356(16) . ? C46 H46 0.9500 . ? C46 C47 1.368(18) . ? C47 H47 0.9500 . ? C47 C48 1.372(15) . ? C48 H48 0.9500 . ? C49 C50 1.359(12) . ? C49 C54 1.316(15) . ? C50 H50 0.9500 . ? C50 C51 1.387(17) . ? C51 H51 0.9500 . ? C51 C52 1.408(18) . ? C52 H52 0.9500 . ? C52 C53 1.319(15) . ? C53 H53 0.9500 . ? C53 C54 1.500(18) . ? C54 H54 0.9500 . ? C55 C56 1.377(14) . ? C55 C60 1.342(15) . ? C56 H56 0.9500 . ? C56 C57 1.410(17) . ? C57 H57 0.9500 . ? C57 C58 1.387(19) . ? C58 H58 0.9500 . ? C58 C59 1.391(16) . ? C59 H59 0.9500 . ? C59 C60 1.393(15) . ? C60 H60 0.9500 . ? C61 C62 1.444(16) . ? C61 C66 1.422(17) . ? C62 H62 0.9500 . ? C62 C63 1.343(17) . ? C63 H63 0.9500 . ? C63 C64 1.383(19) . ? C64 H64 0.9500 . ? C64 C65 1.326(18) . ? C65 H65 0.9500 . ? C65 C66 1.377(18) . ? C66 H66 0.9500 . ? C67 C68 1.374(16) . ? C67 C72 1.391(13) . ? C68 H68 0.9500 . ? C68 C69 1.412(13) . ? C69 H69 0.9500 . ? C69 C70 1.365(15) . ? C70 H70 0.9500 . ? C70 C71 1.408(18) . ? C71 H71 0.9500 . ? C71 C72 1.348(13) . ? C72 H72 0.9500 . ? C73 C74 1.402(12) . ? C73 C78 1.416(15) . ? C74 H74 0.9500 . ? C74 C75 1.370(14) . ? C75 H75 0.9500 . ? C75 C76 1.410(17) . ? C76 H76 0.9500 . ? C76 C77 1.379(14) . ? C77 H77 0.9500 . ? C77 C78 1.389(15) . ? C78 H78 0.9500 . ? C79 C80 1.391(15) . ? C79 C84 1.355(14) . ? C80 H80 0.9500 . ? C80 C81 1.360(14) . ? C81 H81 0.9500 . ? C81 C82 1.370(15) . ? C82 H82 0.9500 . ? C82 C83 1.367(16) . ? C83 H83 0.9500 . ? C83 C84 1.397(14) . ? C84 H84 0.9500 . ? C85 C86 1.389(15) . ? C85 C90 1.392(14) . ? C86 H86 0.9500 . ? C86 C87 1.365(16) . ? C87 H87 0.9500 . ? C87 C88 1.385(15) . ? C88 H88 0.9500 . ? C88 C89 1.400(16) . ? C89 H89 0.9500 . ? C89 C90 1.379(15) . ? C90 H90 0.9500 . ? C91 C92 1.378(16) . ? C91 C96 1.376(16) . ? C92 H92 0.9500 . ? C92 C93 1.371(16) . ? C93 H93 0.9500 . ? C93 C94 1.392(18) . ? C94 H94 0.9500 . ? C94 C95 1.378(18) . ? C95 H95 0.9500 . ? C95 C96 1.383(17) . ? C96 H96 0.9500 . ? C97 C98 1.399(16) . ? C97 C102 1.358(14) . ? C98 H98 0.9500 . ? C98 C99 1.400(17) . ? C99 H99 0.9500 . ? C99 C100 1.350(16) . ? C100 H100 0.9500 . ? C100 C101 1.36(2) . ? C101 H101 0.9500 . ? C101 C102 1.419(18) . ? C102 H102 0.9500 . ? C103 C104 1.402(16) . ? C103 C108 1.390(15) . ? C104 H104 0.9500 . ? C104 C105 1.393(15) . ? C105 H105 0.9500 . ? C105 C106 1.330(17) . ? C106 H106 0.9500 . ? C106 C107 1.396(17) . ? C107 H107 0.9500 . ? C107 C108 1.348(16) . ? C108 H108 0.9500 . ? C109 C110 1.341(14) . ? C109 C114 1.439(13) . ? C110 H110 0.9500 . ? C110 C111 1.398(17) . ? C111 H111 0.9500 . ? C111 C112 1.422(15) . ? C112 H112 0.9500 . ? C112 C113 1.368(15) . ? C113 H113 0.9500 . ? C113 C114 1.385(17) . ? C114 H114 0.9500 . ? C115 C116 1.430(13) . ? C115 C120 1.403(16) . ? C116 H116 0.9500 . ? C116 C117 1.350(15) . ? C117 H117 0.9500 . ? C117 C118 1.394(19) . ? C118 H118 0.9500 . ? C118 C119 1.378(15) . ? C119 H119 0.9500 . ? C119 C120 1.368(15) . ? C120 H120 0.9500 . ? C121 C122 1.319(17) . ? C121 C142 1.377(17) . ? C122 H122 0.9500 . ? C122 C123 1.377(19) . ? C123 H123 0.9500 . ? C123 C124 1.38(2) . ? C124 H124 0.9500 . ? C124 C125 1.336(18) . ? C125 H125 0.9500 . ? C125 C142 1.381(19) . ? C126 C127 1.358(16) . ? C126 C131 1.428(13) . ? C127 H127 0.9500 . ? C127 C128 1.397(14) . ? C128 H128 0.9500 . ? C128 C129 1.400(15) . ? C129 H129 0.9500 . ? C129 C130 1.381(17) . ? C130 H130 0.9500 . ? C130 C131 1.379(14) . ? C131 H131 0.9500 . ? C132 C133 1.353(17) . ? C132 C136 1.364(16) . ? C133 H133 0.9500 . ? C133 C134 1.376(17) . ? C134 H134 0.9500 . ? C134 C143 1.380(18) . ? C135 H135 0.9500 . ? C135 C136 1.404(17) . ? C135 C143 1.35(2) . ? C136 H136 0.9500 . ? C137 C138 1.385(15) . ? C137 C144 1.386(15) . ? C138 H138 0.9500 . ? C138 C139 1.324(16) . ? C139 H139 0.9500 . ? C139 C140 1.392(15) . ? C140 H140 0.9500 . ? C140 C141 1.351(19) . ? C141 H141 0.9500 . ? C141 C144 1.379(19) . ? C142 H142 0.9500 . ? C143 H143 0.9500 . ? C144 H144 0.9500 . ? N11 O11 1.3827(13) . ? N11 O12 1.0899(12) . ? N11 O13 1.2000(9) . ? N21 O21 1.3831(13) . ? N21 O22 1.0896(13) . ? N21 O23 1.2000(2) . ? C550 H55A 0.9900 . ? C550 H55B 0.9900 . ? C550 Cl50 1.611(10) . ? C550 Cl51 1.709(9) . ? C510 H51A 0.9900 . ? C510 H51B 0.9900 . ? C510 Cl10 1.588(13) . ? C510 Cl11 1.698(11) . ? C520 H52A 0.9900 . ? C520 H52B 0.9900 . ? C520 Cl20 1.95(2) . ? C520 Cl21 1.51(2) . ? C530 H53A 0.9900 . ? C530 H53B 0.9900 . ? C530 Cl30 1.562(13) . ? C530 Cl31 1.677(14) . ? C540 H54A 0.9900 . ? C540 H54B 0.9900 . ? C540 Cl40 1.609(11) . ? C540 Cl41 1.714(12) . ? C560 H56A 0.9900 . ? C560 H56B 0.9900 . ? C560 Cl60 1.64(2) . ? C560 Cl61 1.79(2) . ? 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 Au2 Au1 Au4 87.525(17) . . ? Au3 Au1 Au2 108.069(19) . . ? Au3 Au1 Au4 79.629(15) . . ? Au6 Au1 Au2 58.188(14) . . ? Au6 Au1 Au3 57.164(14) . . ? Au6 Au1 Au4 54.666(14) . . ? P7 Au1 Au2 118.95(8) . . ? P7 Au1 Au3 124.81(8) . . ? P7 Au1 Au4 127.03(8) . . ? P7 Au1 Au6 177.06(8) . . ? Au1 Au2 Au7 92.824(17) . . ? Au6 Au2 Au1 58.282(14) . . ? Au6 Au2 Au7 58.196(15) . . ? P5 Au2 Au1 130.37(7) . . ? P5 Au2 Au6 163.41(8) . . ? P5 Au2 Au7 127.92(8) . . ? Au5 Au3 Au1 99.995(19) . . ? Au6 Au3 Au1 58.823(15) . . ? Au6 Au3 Au5 60.379(15) . . ? P3 Au3 Au1 126.12(6) . . ? P3 Au3 Au5 126.77(6) . . ? P3 Au3 Au6 164.34(8) . . ? Au1 Au4 Au7 92.518(17) . . ? Au5 Au4 Au1 99.372(19) . . ? Au5 Au4 Au7 100.303(18) . . ? Au6 Au4 Au1 59.642(15) . . ? Au6 Au4 Au5 61.295(16) . . ? Au6 Au4 Au7 59.624(17) . . ? P4 Au4 Au1 118.51(7) . . ? P4 Au4 Au5 118.73(8) . . ? P4 Au4 Au6 177.85(8) . . ? P4 Au4 Au7 122.13(9) . . ? Au3 Au5 Au4 79.815(15) . . ? Au3 Au5 Au8 109.697(18) . . ? Au6 Au5 Au3 56.554(14) . . ? Au6 Au5 Au4 54.142(14) . . ? Au6 Au5 Au8 56.386(14) . . ? Au8 Au5 Au4 78.043(17) . . ? P2 Au5 Au3 119.03(8) . . ? P2 Au5 Au4 131.77(8) . . ? P2 Au5 Au6 173.29(9) . . ? P2 Au5 Au8 125.34(7) . . ? Au1 Au6 Au5 105.321(19) . . ? Au1 Au6 Au7 99.553(18) . . ? Au2 Au6 Au1 63.530(15) . . ? Au2 Au6 Au5 161.69(2) . . ? Au2 Au6 Au7 63.817(15) . . ? Au3 Au6 Au1 64.013(16) . . ? Au3 Au6 Au2 118.447(17) . . ? Au3 Au6 Au5 63.067(15) . . ? Au3 Au6 Au7 154.28(2) . . ? Au4 Au6 Au1 65.692(16) . . ? Au4 Au6 Au2 97.149(19) . . ? Au4 Au6 Au3 88.81(2) . . ? Au4 Au6 Au5 64.563(17) . . ? Au4 Au6 Au7 65.828(18) . . ? Au4 Au6 Au8 86.945(18) . . ? Au7 Au6 Au5 106.457(18) . . ? Au8 Au6 Au1 152.34(2) . . ? Au8 Au6 Au2 119.34(2) . . ? Au8 Au6 Au3 122.144(19) . . ? Au8 Au6 Au5 63.265(15) . . ? Au8 Au6 Au7 63.406(16) . . ? P1 Au6 Au1 120.15(6) . . ? P1 Au6 Au2 87.68(6) . . ? P1 Au6 Au3 92.25(7) . . ? P1 Au6 Au4 173.84(6) . . ? P1 Au6 Au5 110.62(6) . . ? P1 Au6 Au7 113.42(7) . . ? P1 Au6 Au8 87.35(6) . . ? Au2 Au7 Au4 87.132(17) . . ? Au6 Au7 Au2 57.987(14) . . ? Au6 Au7 Au4 54.548(16) . . ? Au6 Au7 Au8 57.322(14) . . ? Au8 Au7 Au2 108.98(2) . . ? Au8 Au7 Au4 78.236(17) . . ? P6 Au7 Au2 122.46(7) . . ? P6 Au7 Au4 122.16(9) . . ? P6 Au7 Au6 176.62(9) . . ? P6 Au7 Au8 123.91(6) . . ? Au6 Au8 Au5 60.350(15) . . ? Au6 Au8 Au7 59.271(15) . . ? Au7 Au8 Au5 101.572(18) . . ? P8 Au8 Au5 126.15(8) . . ? P8 Au8 Au6 166.88(9) . . ? P8 Au8 Au7 124.23(8) . . ? C73 P1 Au6 118.0(3) . . ? C73 P1 C79 100.1(5) . . ? C73 P1 C85 102.9(5) . . ? C79 P1 Au6 117.7(3) . . ? C85 P1 Au6 113.9(4) . . ? C85 P1 C79 101.8(5) . . ? C37 P2 Au5 115.2(3) . . ? C37 P2 C43 101.5(5) . . ? C37 P2 C49 106.6(5) . . ? C43 P2 Au5 119.4(4) . . ? C49 P2 Au5 111.7(3) . . ? C49 P2 C43 100.7(5) . . ? C55 P3 Au3 113.8(4) . . ? C55 P3 C67 102.9(5) . . ? C61 P3 Au3 115.7(4) . . ? C61 P3 C55 105.8(5) . . ? C61 P3 C67 104.2(5) . . ? C67 P3 Au3 113.1(3) . . ? C126 P4 Au4 112.8(4) . . ? C126 P4 C132 104.4(5) . . ? C126 P4 C137 104.7(5) . . ? C132 P4 Au4 112.5(4) . . ? C137 P4 Au4 116.8(4) . . ? C137 P4 C132 104.5(5) . . ? C91 P5 Au2 114.4(3) . . ? C91 P5 C103 102.8(5) . . ? C97 P5 Au2 114.4(4) . . ? C97 P5 C91 105.1(6) . . ? C97 P5 C103 103.6(5) . . ? C103 P5 Au2 115.1(4) . . ? C1 P6 Au7 112.8(4) . . ? C7 P6 Au7 118.4(4) . . ? C7 P6 C1 98.3(5) . . ? C13 P6 Au7 113.8(4) . . ? C13 P6 C1 107.9(5) . . ? C13 P6 C7 104.0(5) . . ? C109 P7 Au1 117.4(3) . . ? C109 P7 C115 104.7(5) . . ? C109 P7 C121 103.1(5) . . ? C115 P7 Au1 110.8(4) . . ? C115 P7 C121 104.4(5) . . ? C121 P7 Au1 115.1(3) . . ? C19 P8 Au8 111.2(4) . . ? C30 P8 Au8 116.6(3) . . ? C30 P8 C19 105.7(5) . . ? C31 P8 Au8 115.0(4) . . ? C31 P8 C19 103.9(5) . . ? C31 P8 C30 103.2(5) . . ? C2 C1 P6 124.2(7) . . ? C2 C1 C6 119.2(9) . . ? C6 C1 P6 116.5(9) . . ? C1 C2 H2 119.8 . . ? C1 C2 C3 120.4(10) . . ? C3 C2 H2 119.8 . . ? C2 C3 H3 120.0 . . ? C2 C3 C4 119.9(12) . . ? C4 C3 H3 120.0 . . ? C3 C4 H4 120.1 . . ? C5 C4 C3 119.8(10) . . ? C5 C4 H4 120.1 . . ? C4 C5 H5 121.2 . . ? C4 C5 C6 117.7(11) . . ? C6 C5 H5 121.2 . . ? C1 C6 C5 122.4(11) . . ? C1 C6 H6 118.8 . . ? C5 C6 H6 118.8 . . ? C8 C7 P6 121.3(9) . . ? C12 C7 P6 120.6(8) . . ? C12 C7 C8 118.1(11) . . ? C7 C8 H8 120.3 . . ? C9 C8 C7 119.3(12) . . ? C9 C8 H8 120.3 . . ? C8 C9 H9 119.6 . . ? C8 C9 C10 120.9(12) . . ? C10 C9 H9 119.6 . . ? C9 C10 H10 120.1 . . ? C9 C10 C11 119.7(13) . . ? C11 C10 H10 120.1 . . ? C10 C11 H11 121.2 . . ? C12 C11 C10 117.5(13) . . ? C12 C11 H11 121.2 . . ? C7 C12 C11 124.0(12) . . ? C7 C12 H12 118.0 . . ? C11 C12 H12 118.0 . . ? C14 C13 P6 121.6(8) . . ? C18 C13 P6 119.0(9) . . ? C18 C13 C14 119.0(10) . . ? C13 C14 H14 120.2 . . ? C15 C14 C13 119.7(10) . . ? C15 C14 H14 120.2 . . ? C14 C15 H15 119.6 . . ? C16 C15 C14 120.7(12) . . ? C16 C15 H15 119.6 . . ? C15 C16 H16 120.2 . . ? C15 C16 C17 119.6(11) . . ? C17 C16 H16 120.2 . . ? C16 C17 H17 119.8 . . ? C18 C17 C16 120.5(11) . . ? C18 C17 H17 119.8 . . ? C13 C18 H18 119.8 . . ? C17 C18 C13 120.5(12) . . ? C17 C18 H18 119.8 . . ? C20 C19 P8 118.8(9) . . ? C24 C19 P8 122.3(10) . . ? C24 C19 C20 118.8(12) . . ? C19 C20 H20 119.3 . . ? C21 C20 C19 121.5(12) . . ? C21 C20 H20 119.3 . . ? C20 C21 H21 119.6 . . ? C22 C21 C20 120.8(13) . . ? C22 C21 H21 119.6 . . ? C21 C22 H22 120.1 . . ? C21 C22 C23 119.9(13) . . ? C23 C22 H22 120.1 . . ? C22 C23 H23 118.9 . . ? C22 C23 C24 122.2(14) . . ? C24 C23 H23 118.9 . . ? C19 C24 C23 116.7(13) . . ? C19 C24 H24 121.7 . . ? C23 C24 H24 121.7 . . ? C26 C25 H25 120.9 . . ? C30 C25 H25 120.9 . . ? C30 C25 C26 118.3(11) . . ? C25 C26 H26 118.8 . . ? C27 C26 C25 122.4(12) . . ? C27 C26 H26 118.8 . . ? C26 C27 H27 121.0 . . ? C26 C27 C28 117.9(12) . . ? C28 C27 H27 121.0 . . ? C27 C28 H28 119.0 . . ? C29 C28 C27 121.9(12) . . ? C29 C28 H28 119.0 . . ? C28 C29 H29 120.4 . . ? C30 C29 C28 119.3(11) . . ? C30 C29 H29 120.4 . . ? C25 C30 P8 117.6(9) . . ? C29 C30 P8 122.2(9) . . ? C29 C30 C25 120.2(11) . . ? C32 C31 P8 121.2(9) . . ? C36 C31 P8 121.0(7) . . ? C36 C31 C32 117.8(10) . . ? C31 C32 H32 120.0 . . ? C33 C32 C31 120.1(12) . . ? C33 C32 H32 120.0 . . ? C32 C33 H33 118.9 . . ? C34 C33 C32 122.1(11) . . ? C34 C33 H33 118.9 . . ? C33 C34 H34 120.4 . . ? C33 C34 C35 119.3(12) . . ? C35 C34 H34 120.4 . . ? C34 C35 H35 120.4 . . ? C34 C35 C36 119.1(12) . . ? C36 C35 H35 120.4 . . ? C31 C36 C35 121.5(9) . . ? C31 C36 H36 119.2 . . ? C35 C36 H36 119.2 . . ? C38 C37 P2 120.4(9) . . ? C38 C37 C42 117.3(11) . . ? C42 C37 P2 121.5(9) . . ? C37 C38 H38 119.6 . . ? C39 C38 C37 120.8(13) . . ? C39 C38 H38 119.6 . . ? C38 C39 H39 117.9 . . ? C38 C39 C40 124.1(14) . . ? C40 C39 H39 117.9 . . ? C39 C40 H40 120.7 . . ? C41 C40 C39 118.5(14) . . ? C41 C40 H40 120.7 . . ? C40 C41 H41 119.7 . . ? C40 C41 C42 120.7(15) . . ? C42 C41 H41 119.7 . . ? C37 C42 C41 118.4(12) . . ? C37 C42 H42 120.8 . . ? C41 C42 H42 120.8 . . ? C44 C43 P2 120.7(8) . . ? C48 C43 P2 119.6(9) . . ? C48 C43 C44 119.6(10) . . ? C43 C44 H44 122.2 . . ? C43 C44 C45 115.6(11) . . ? C45 C44 H44 122.2 . . ? C44 C45 H45 118.3 . . ? C46 C45 C44 123.5(12) . . ? C46 C45 H45 118.3 . . ? C45 C46 H46 120.9 . . ? C45 C46 C47 118.2(10) . . ? C47 C46 H46 120.9 . . ? C46 C47 H47 120.3 . . ? C46 C47 C48 119.4(12) . . ? C48 C47 H47 120.3 . . ? C43 C48 C47 123.6(12) . . ? C43 C48 H48 118.2 . . ? C47 C48 H48 118.2 . . ? C50 C49 P2 120.8(9) . . ? C54 C49 P2 116.9(8) . . ? C54 C49 C50 122.1(11) . . ? C49 C50 H50 118.6 . . ? C49 C50 C51 122.7(11) . . ? C51 C50 H50 118.6 . . ? C50 C51 H51 121.5 . . ? C50 C51 C52 116.9(10) . . ? C52 C51 H51 121.5 . . ? C51 C52 H52 119.7 . . ? C53 C52 C51 120.6(13) . . ? C53 C52 H52 119.7 . . ? C52 C53 H53 119.6 . . ? C52 C53 C54 120.9(12) . . ? C54 C53 H53 119.6 . . ? C49 C54 C53 116.2(9) . . ? C49 C54 H54 121.9 . . ? C53 C54 H54 121.9 . . ? C56 C55 P3 123.7(9) . . ? C60 C55 P3 116.6(8) . . ? C60 C55 C56 119.7(10) . . ? C55 C56 H56 120.5 . . ? C55 C56 C57 119.0(11) . . ? C57 C56 H56 120.5 . . ? C56 C57 H57 119.8 . . ? C58 C57 C56 120.4(12) . . ? C58 C57 H57 119.8 . . ? C57 C58 H58 120.5 . . ? C57 C58 C59 119.0(12) . . ? C59 C58 H58 120.5 . . ? C58 C59 H59 120.7 . . ? C58 C59 C60 118.5(12) . . ? C60 C59 H59 120.7 . . ? C55 C60 C59 122.8(10) . . ? C55 C60 H60 118.6 . . ? C59 C60 H60 118.6 . . ? C62 C61 P3 125.1(9) . . ? C66 C61 P3 121.0(9) . . ? C66 C61 C62 113.9(11) . . ? C61 C62 H62 119.2 . . ? C63 C62 C61 121.7(12) . . ? C63 C62 H62 119.2 . . ? C62 C63 H63 119.5 . . ? C62 C63 C64 121.1(13) . . ? C64 C63 H63 119.5 . . ? C63 C64 H64 119.9 . . ? C65 C64 C63 120.3(13) . . ? C65 C64 H64 119.9 . . ? C64 C65 H65 119.6 . . ? C64 C65 C66 120.8(13) . . ? C66 C65 H65 119.6 . . ? C61 C66 H66 118.9 . . ? C65 C66 C61 122.2(13) . . ? C65 C66 H66 118.9 . . ? C68 C67 P3 121.6(7) . . ? C68 C67 C72 120.5(9) . . ? C72 C67 P3 117.8(8) . . ? C67 C68 H68 120.7 . . ? C67 C68 C69 118.7(10) . . ? C69 C68 H68 120.7 . . ? C68 C69 H69 119.8 . . ? C70 C69 C68 120.3(12) . . ? C70 C69 H69 119.8 . . ? C69 C70 H70 120.1 . . ? C69 C70 C71 119.7(10) . . ? C71 C70 H70 120.1 . . ? C70 C71 H71 120.0 . . ? C72 C71 C70 120.0(10) . . ? C72 C71 H71 120.0 . . ? C67 C72 H72 119.7 . . ? C71 C72 C67 120.7(11) . . ? C71 C72 H72 119.7 . . ? C74 C73 P1 119.5(8) . . ? C74 C73 C78 119.2(9) . . ? C78 C73 P1 121.3(7) . . ? C73 C74 H74 119.6 . . ? C75 C74 C73 120.8(11) . . ? C75 C74 H74 119.6 . . ? C74 C75 H75 120.3 . . ? C74 C75 C76 119.4(9) . . ? C76 C75 H75 120.3 . . ? C75 C76 H76 119.7 . . ? C77 C76 C75 120.7(10) . . ? C77 C76 H76 119.7 . . ? C76 C77 H77 119.9 . . ? C76 C77 C78 120.2(11) . . ? C78 C77 H77 119.9 . . ? C73 C78 H78 120.2 . . ? C77 C78 C73 119.6(9) . . ? C77 C78 H78 120.2 . . ? C80 C79 P1 117.9(8) . . ? C84 C79 P1 123.3(8) . . ? C84 C79 C80 118.6(9) . . ? C79 C80 H80 119.9 . . ? C81 C80 C79 120.2(10) . . ? C81 C80 H80 119.9 . . ? C80 C81 H81 119.1 . . ? C80 C81 C82 121.9(11) . . ? C82 C81 H81 119.1 . . ? C81 C82 H82 121.1 . . ? C83 C82 C81 117.9(10) . . ? C83 C82 H82 121.1 . . ? C82 C83 H83 119.6 . . ? C82 C83 C84 120.9(11) . . ? C84 C83 H83 119.6 . . ? C79 C84 C83 120.4(12) . . ? C79 C84 H84 119.8 . . ? C83 C84 H84 119.8 . . ? C86 C85 P1 120.8(8) . . ? C86 C85 C90 117.5(10) . . ? C90 C85 P1 121.6(8) . . ? C85 C86 H86 118.8 . . ? C87 C86 C85 122.4(11) . . ? C87 C86 H86 118.8 . . ? C86 C87 H87 120.1 . . ? C86 C87 C88 119.7(12) . . ? C88 C87 H87 120.1 . . ? C87 C88 H88 120.4 . . ? C87 C88 C89 119.3(11) . . ? C89 C88 H88 120.4 . . ? C88 C89 H89 120.1 . . ? C90 C89 C88 119.8(10) . . ? C90 C89 H89 120.1 . . ? C85 C90 H90 119.5 . . ? C89 C90 C85 121.1(11) . . ? C89 C90 H90 119.5 . . ? C92 C91 P5 119.6(9) . . ? C96 C91 P5 123.9(9) . . ? C96 C91 C92 116.5(11) . . ? C91 C92 H92 119.0 . . ? C93 C92 C91 121.9(12) . . ? C93 C92 H92 119.0 . . ? C92 C93 H93 120.1 . . ? C92 C93 C94 119.8(13) . . ? C94 C93 H93 120.1 . . ? C93 C94 H94 120.0 . . ? C95 C94 C93 120.0(13) . . ? C95 C94 H94 120.0 . . ? C94 C95 H95 121.1 . . ? C94 C95 C96 117.7(13) . . ? C96 C95 H95 121.1 . . ? C91 C96 C95 123.9(12) . . ? C91 C96 H96 118.0 . . ? C95 C96 H96 118.0 . . ? C98 C97 P5 118.8(8) . . ? C102 C97 P5 122.9(10) . . ? C102 C97 C98 118.3(11) . . ? C97 C98 H98 120.7 . . ? C97 C98 C99 118.5(10) . . ? C99 C98 H98 120.7 . . ? C98 C99 H99 118.3 . . ? C100 C99 C98 123.4(13) . . ? C100 C99 H99 118.3 . . ? C99 C100 H100 121.1 . . ? C99 C100 C101 117.9(13) . . ? C101 C100 H100 121.1 . . ? C100 C101 H101 119.8 . . ? C100 C101 C102 120.5(12) . . ? C102 C101 H101 119.8 . . ? C97 C102 C101 121.2(12) . . ? C97 C102 H102 119.4 . . ? C101 C102 H102 119.4 . . ? C104 C103 P5 122.7(9) . . ? C108 C103 P5 118.7(9) . . ? C108 C103 C104 118.3(10) . . ? C103 C104 H104 120.4 . . ? C105 C104 C103 119.2(11) . . ? C105 C104 H104 120.4 . . ? C104 C105 H105 119.3 . . ? C106 C105 C104 121.4(12) . . ? C106 C105 H105 119.3 . . ? C105 C106 H106 120.2 . . ? C105 C106 C107 119.6(11) . . ? C107 C106 H106 120.2 . . ? C106 C107 H107 119.7 . . ? C108 C107 C106 120.6(12) . . ? C108 C107 H107 119.7 . . ? C103 C108 H108 119.7 . . ? C107 C108 C103 120.7(12) . . ? C107 C108 H108 119.6 . . ? C110 C109 P7 123.6(8) . . ? C110 C109 C114 115.7(10) . . ? C114 C109 P7 120.6(8) . . ? C109 C110 H110 117.5 . . ? C109 C110 C111 124.9(10) . . ? C111 C110 H110 117.5 . . ? C110 C111 H111 121.0 . . ? C110 C111 C112 117.9(10) . . ? C112 C111 H111 121.0 . . ? C111 C112 H112 120.6 . . ? C113 C112 C111 118.8(11) . . ? C113 C112 H112 120.6 . . ? C112 C113 H113 119.5 . . ? C112 C113 C114 121.0(10) . . ? C114 C113 H113 119.5 . . ? C109 C114 H114 119.4 . . ? C113 C114 C109 121.2(10) . . ? C113 C114 H114 119.4 . . ? C116 C115 P7 122.9(9) . . ? C120 C115 P7 119.6(7) . . ? C120 C115 C116 117.0(9) . . ? C115 C116 H116 119.7 . . ? C117 C116 C115 120.5(12) . . ? C117 C116 H116 119.7 . . ? C116 C117 H117 119.5 . . ? C116 C117 C118 121.0(11) . . ? C118 C117 H117 119.5 . . ? C117 C118 H118 120.2 . . ? C119 C118 C117 119.6(11) . . ? C119 C118 H118 120.2 . . ? C118 C119 H119 119.9 . . ? C120 C119 C118 120.2(13) . . ? C120 C119 H119 119.9 . . ? C115 C120 H120 119.2 . . ? C119 C120 C115 121.6(10) . . ? C119 C120 H120 119.2 . . ? C122 C121 P7 126.1(11) . . ? C122 C121 C142 115.4(13) . . ? C142 C121 P7 118.4(9) . . ? C121 C122 H122 117.2 . . ? C121 C122 C123 125.6(13) . . ? C123 C122 H122 117.2 . . ? C122 C123 H123 121.1 . . ? C124 C123 C122 117.9(13) . . ? C124 C123 H123 121.1 . . ? C123 C124 H124 120.8 . . ? C125 C124 C123 118.3(13) . . ? C125 C124 H124 120.8 . . ? C124 C125 H125 119.2 . . ? C124 C125 C142 121.6(14) . . ? C142 C125 H125 119.2 . . ? C127 C126 P4 123.5(8) . . ? C127 C126 C131 118.4(9) . . ? C131 C126 P4 118.0(8) . . ? C126 C127 H127 118.8 . . ? C126 C127 C128 122.3(10) . . ? C128 C127 H127 118.8 . . ? C127 C128 H128 120.5 . . ? C127 C128 C129 119.0(11) . . ? C129 C128 H128 120.5 . . ? C128 C129 H129 120.4 . . ? C130 C129 C128 119.2(10) . . ? C130 C129 H129 120.4 . . ? C129 C130 H130 119.3 . . ? C131 C130 C129 121.5(10) . . ? C131 C130 H130 119.3 . . ? C126 C131 H131 120.3 . . ? C130 C131 C126 119.5(11) . . ? C130 C131 H131 120.3 . . ? C133 C132 P4 118.0(8) . . ? C133 C132 C136 119.5(11) . . ? C136 C132 P4 122.4(10) . . ? C132 C133 H133 118.6 . . ? C132 C133 C134 122.8(12) . . ? C134 C133 H133 118.6 . . ? C133 C134 H134 121.1 . . ? C133 C134 C143 117.8(13) . . ? C143 C134 H134 121.1 . . ? C136 C135 H135 119.5 . . ? C143 C135 H135 119.5 . . ? C143 C135 C136 121.0(13) . . ? C132 C136 C135 118.7(13) . . ? C132 C136 H136 120.7 . . ? C135 C136 H136 120.7 . . ? C138 C137 P4 123.9(8) . . ? C138 C137 C144 119.2(11) . . ? C144 C137 P4 116.8(9) . . ? C137 C138 H138 119.4 . . ? C139 C138 C137 121.2(10) . . ? C139 C138 H138 119.4 . . ? C138 C139 H139 119.6 . . ? C138 C139 C140 120.8(12) . . ? C140 C139 H139 119.6 . . ? C139 C140 H140 120.9 . . ? C141 C140 C139 118.3(13) . . ? C141 C140 H140 120.9 . . ? C140 C141 H141 118.9 . . ? C140 C141 C144 122.3(12) . . ? C144 C141 H141 118.9 . . ? C121 C142 C125 121.1(13) . . ? C121 C142 H142 119.5 . . ? C125 C142 H142 119.5 . . ? C134 C143 H143 119.9 . . ? C135 C143 C134 120.2(13) . . ? C135 C143 H143 119.9 . . ? C137 C144 H144 121.0 . . ? C141 C144 C137 118.0(12) . . ? C141 C144 H144 121.0 . . ? O12 N11 O11 116.07(12) . . ? O12 N11 O13 138.71(14) . . ? O13 N11 O11 102.55(11) . . ? O22 N21 O21 116.04(14) . . ? O22 N21 O23 138.79(19) . . ? O23 N21 O21 102.51(12) . . ? H55A C550 H55B 106.9 . . ? Cl50 C550 H55A 107.3 . . ? Cl50 C550 H55B 107.3 . . ? Cl50 C550 Cl51 119.9(7) . . ? Cl51 C550 H55A 107.3 . . ? Cl51 C550 H55B 107.3 . . ? H51A C510 H51B 106.9 . . ? Cl10 C510 H51A 107.4 . . ? Cl10 C510 H51B 107.4 . . ? Cl10 C510 Cl11 119.9(8) . . ? Cl11 C510 H51A 107.4 . . ? Cl11 C510 H51B 107.4 . . ? H52A C520 H52B 108.2 . . ? Cl20 C520 H52A 109.7 . . ? Cl20 C520 H52B 109.7 . . ? Cl21 C520 H52A 109.7 . . ? Cl21 C520 H52B 109.7 . . ? Cl21 C520 Cl20 109.7(11) . . ? H53A C530 H53B 106.3 . . ? Cl30 C530 H53A 106.0 . . ? Cl30 C530 H53B 106.0 . . ? Cl30 C530 Cl31 125.1(10) . . ? Cl31 C530 H53A 106.0 . . ? Cl31 C530 H53B 106.0 . . ? H54A C540 H54B 107.0 . . ? Cl40 C540 H54A 107.6 . . ? Cl40 C540 H54B 107.6 . . ? Cl40 C540 Cl41 118.8(9) . . ? Cl41 C540 H54A 107.6 . . ? Cl41 C540 H54B 107.6 . . ? H56A C560 H56B 107.6 . . ? Cl60 C560 H56A 108.6 . . ? Cl60 C560 H56B 108.6 . . ? Cl60 C560 Cl61 114.4(13) . . ? Cl61 C560 H56A 108.6 . . ? Cl61 C560 H56B 108.7 . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A C550 H55A O13 0.99 2.44 3.368(10) 155.6 . C550 H55B Cl51 0.99 2.77 3.593(14) 140.5 2_766 C510 H51B N11 0.99 2.63 3.570(15) 158.5 2_666 C510 H51B O12 0.99 2.70 3.564(14) 145.6 2_666 C510 H51B O13 0.99 2.76 3.577(15) 139.9 2_666 C540 H54A Cl61 0.99 2.81 3.659(14) 144.0 1_565 C540 H54B Cl50 0.99 2.68 3.658(16) 171.5 . C560 H56B N11 0.99 2.55 3.521(19) 166.7 1_545 C560 H56B O12 0.99 2.44 3.40(2) 163.1 1_545 C560 H56B O13 0.99 2.38 3.225(17) 142.3 1_545 _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 3.310 _refine_diff_density_min -2.142 _refine_diff_density_rms 0.288 # END OF CIF data_DPAC_2 _database_code_depnum_ccdc_archive 'CCDC 907704' #TrackingRef '14938_web_deposit_cif_file_0_MatthewPolson_1351120240.Au11(PPh3)8Cl3.cif' _audit_creation_date 2012-10-25 _audit_creation_method ; Olex2 1.2 (compiled 2012.05.09 svn.r2324, GUI svn.r4230) ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety '2(C144 H120 Au11 Cl2 P8), C H2 Cl2, 2(Cl)' _chemical_formula_sum 'C289 H242 Au22 Cl8 P16' _chemical_formula_weight 8827.24 _chemical_compound_source 'Synthesized by the authors. See text' _chemical_melting_point ? 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' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/c 1' _space_group_name_Hall '-P 2ybc' # END OF CIF loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 'x, y, z' 2 '-x, y+1/2, -z+1/2' 3 '-x, -y, -z' 4 'x, -y-1/2, z-1/2' _cell_length_a 22.5484(8) _cell_length_b 18.1152(6) _cell_length_c 34.6185(12) _cell_angle_alpha 90.00 _cell_angle_beta 95.997(2) _cell_angle_gamma 90.00 _cell_volume 14063.2(8) _cell_formula_units_Z 2 _cell_measurement_reflns_used 9284 _cell_measurement_temperature 113(2) _cell_measurement_theta_max 27.163 _cell_measurement_theta_min 2.249 _exptl_absorpt_coefficient_mu 11.640 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_correction_T_min 0.689795 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'APEXII v2008.3-0 (Bruker, 2008)' _exptl_crystal_colour red _exptl_crystal_density_diffrn 2.085 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate _exptl_crystal_F_000 8180 _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.02 _exptl_special_details ; ? ; _diffrn_reflns_av_R_equivalents 0.1616 _diffrn_reflns_av_unetI/netI 0.1066 _diffrn_reflns_limit_h_max 26 _diffrn_reflns_limit_h_min -26 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_l_max 41 _diffrn_reflns_limit_l_min -41 _diffrn_reflns_number 244873 _diffrn_reflns_theta_full 25.05 _diffrn_reflns_theta_max 25.05 _diffrn_reflns_theta_min 2.17 _diffrn_ambient_temperature 113(2) _diffrn_detector_area_resol_mean ? _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker APEXII CCD area detector' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source 'sealed tube' _diffrn_standards_decay_% ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_number 0 _reflns_number_gt 14477 _reflns_number_total 24902 _reflns_threshold_expression I>2\s(I) _computing_cell_refinement 'APEXII v2008.3-0' _computing_data_collection 'APEXII v2008.3-0 (Bruker 2008)' _computing_data_reduction 'SAINT v7.53A (Bruker, 2008)' _computing_molecular_graphics ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_publication_material ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_structure_refinement ; XH, G.M. Sheldrick, Acta Cryst. (2008). A64, 112-122 ; _computing_structure_solution ; XS, G.M. Sheldrick, Acta Cryst. (2008). A64, 112-122 ; _refine_diff_density_max 3.304 _refine_diff_density_min -3.030 _refine_diff_density_rms 0.347 _refine_ls_extinction_coef ? _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.024 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 1549 _refine_ls_number_reflns 24902 _refine_ls_number_restraints 66 _refine_ls_R_factor_all 0.1329 _refine_ls_R_factor_gt 0.0570 _refine_ls_restrained_S_all 1.024 _refine_ls_shift/su_max <0.001 _refine_ls_shift/su_mean <0.001 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0736P)^2^+164.7491P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1319 _refine_ls_wR_factor_ref 0.1614 _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. ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap 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 0.22042(3) 0.30706(3) 0.131775(18) 0.01771(16) Uani 1 1 d . . . Au2 Au 0.15331(3) 0.20272(4) 0.091913(18) 0.02166(17) Uani 1 1 d . . . Au3 Au 0.19082(3) 0.18836(4) 0.173886(19) 0.02415(17) Uani 1 1 d . . . Au4 Au 0.10464(3) 0.29691(4) 0.147806(19) 0.02349(17) Uani 1 1 d . . . Au5 Au 0.13881(3) 0.36737(4) 0.078025(19) 0.02436(17) Uani 1 1 d . . . Au6 Au 0.24696(3) 0.29090(4) 0.058219(19) 0.02369(17) Uani 1 1 d . . . Au7 Au 0.28309(3) 0.18232(4) 0.12196(2) 0.02406(17) Uani 1 1 d . . . Au8 Au 0.33735(3) 0.32860(4) 0.13940(2) 0.02585(18) Uani 1 1 d . . . Au9 Au 0.25598(4) 0.31500(4) 0.206884(19) 0.02683(18) Uani 1 1 d . . . Au10 Au 0.17459(3) 0.42744(4) 0.16258(2) 0.02433(18) Uani 1 1 d . . . Au11 Au 0.25426(3) 0.43707(4) 0.103549(19) 0.02286(17) Uani 1 1 d . . . Cl3 Cl 0.1650(3) 0.0834(3) 0.20852(15) 0.0474(15) Uani 1 1 d . . . Cl5 Cl 0.0683(2) 0.4222(3) 0.03152(14) 0.0374(12) Uani 1 1 d . . . P2 P 0.0916(2) 0.1202(2) 0.05873(12) 0.0218(11) Uani 1 1 d . . . C1 C 0.1234(9) 0.0852(9) 0.0156(5) 0.027(5) Uani 1 1 d . . . C2 C 0.1799(10) 0.0602(11) 0.0197(6) 0.045(6) Uani 1 1 d . . . H2 H 0.2013 0.0595 0.0441 0.054 Uiso 1 1 calc R . . C3 C 0.2065(10) 0.0353(12) -0.0122(5) 0.044(6) Uani 1 1 d . . . H3 H 0.2461 0.0201 -0.0093 0.053 Uiso 1 1 calc R . . C4 C 0.1742(10) 0.0333(10) -0.0484(5) 0.035(5) Uani 1 1 d . . . H4 H 0.1921 0.0172 -0.0700 0.042 Uiso 1 1 calc R . . C5 C 0.1172(10) 0.0543(12) -0.0523(5) 0.043(6) Uani 1 1 d . . . H5 H 0.0950 0.0503 -0.0764 0.052 Uiso 1 1 calc R . . C6 C 0.0902(9) 0.0826(11) -0.0207(6) 0.039(5) Uani 1 1 d . . . H6 H 0.0509 0.0992 -0.0239 0.046 Uiso 1 1 calc R . . C7 C 0.0183(9) 0.1580(10) 0.0416(5) 0.025(4) Uani 1 1 d . . . C8 C -0.0314(9) 0.1144(10) 0.0331(5) 0.030(5) Uani 1 1 d . . . H8 H -0.0277 0.0637 0.0371 0.036 Uiso 1 1 calc R . . C9 C -0.0858(9) 0.1419(11) 0.0192(6) 0.035(5) Uani 1 1 d . . . H9 H -0.1189 0.1113 0.0142 0.042 Uiso 1 1 calc R . . C10 C -0.0898(8) 0.2200(11) 0.0126(5) 0.033(5) Uani 1 1 d . . . H10 H -0.1253 0.2406 0.0014 0.040 Uiso 1 1 calc R . . C11 C -0.0421(9) 0.2634(11) 0.0227(6) 0.037(5) Uani 1 1 d . . . H11 H -0.0461 0.3145 0.0209 0.044 Uiso 1 1 calc R . . C12 C 0.0135(9) 0.2326(10) 0.0358(5) 0.028(5) Uani 1 1 d . . . H12 H 0.0468 0.2627 0.0405 0.034 Uiso 1 1 calc R . . C13 C 0.0734(9) 0.0368(9) 0.0850(5) 0.030(5) Uani 1 1 d . . . C14 C 0.0726(9) 0.0417(10) 0.1243(5) 0.032(5) Uani 1 1 d . . . H14 H 0.0866 0.0840 0.1376 0.039 Uiso 1 1 calc R . . C15 C 0.0509(10) -0.0168(13) 0.1440(6) 0.051(6) Uani 1 1 d . . . H15 H 0.0455 -0.0113 0.1701 0.061 Uiso 1 1 calc R . . C16 C 0.0367(10) -0.0844(11) 0.1256(7) 0.050(6) Uani 1 1 d . . . H16 H 0.0258 -0.1247 0.1399 0.060 Uiso 1 1 calc R . . C17 C 0.0391(8) -0.0902(9) 0.0865(6) 0.030(5) Uani 1 1 d . . . H17 H 0.0279 -0.1338 0.0735 0.036 Uiso 1 1 calc R . . C18 C 0.0589(8) -0.0290(10) 0.0661(5) 0.029(5) Uani 1 1 d . . . H18 H 0.0623 -0.0330 0.0396 0.035 Uiso 1 1 calc R . . P4 P 0.0114(2) 0.3014(2) 0.16798(13) 0.0221(10) Uani 1 1 d . . . C19 C 0.0165(8) 0.2925(9) 0.2200(5) 0.020(4) Uani 1 1 d U . . C20 C 0.0692(9) 0.2901(9) 0.2425(5) 0.027(4) Uani 1 1 d . . . H20 H 0.1039 0.2949 0.2304 0.032 Uiso 1 1 calc R . . C21 C 0.0748(12) 0.2808(10) 0.2838(6) 0.047(6) Uani 1 1 d . . . H21 H 0.1120 0.2782 0.2981 0.056 Uiso 1 1 calc R . . C22 C 0.0246(13) 0.2759(10) 0.3011(7) 0.050(7) Uani 1 1 d . . . H22 H 0.0274 0.2716 0.3280 0.060 Uiso 1 1 calc R . . C23 C -0.0307(11) 0.2768(10) 0.2807(6) 0.040(6) Uani 1 1 d . . . H23 H -0.0645 0.2730 0.2938 0.048 Uiso 1 1 calc R . . C24 C -0.0367(10) 0.2835(10) 0.2402(5) 0.033(5) Uani 1 1 d . . . H24 H -0.0743 0.2823 0.2263 0.040 Uiso 1 1 calc R . . C25 C -0.0412(8) 0.2275(9) 0.1511(5) 0.020(4) Uani 1 1 d . . . C26 C -0.0316(9) 0.1587(10) 0.1683(6) 0.036(5) Uani 1 1 d . . . H26 H 0.0003 0.1500 0.1871 0.043 Uiso 1 1 calc R . . C27 C -0.0729(10) 0.1023(11) 0.1557(6) 0.044(6) Uani 1 1 d . . . H27 H -0.0677 0.0554 0.1664 0.053 Uiso 1 1 calc R . . C28 C -0.1184(10) 0.1146(11) 0.1293(6) 0.042(6) Uani 1 1 d . . . H28 H -0.1450 0.0767 0.1220 0.051 Uiso 1 1 calc R . . C29 C -0.1263(11) 0.1819(12) 0.1129(6) 0.055(7) Uani 1 1 d . . . H29 H -0.1580 0.1896 0.0939 0.066 Uiso 1 1 calc R . . C30 C -0.0875(10) 0.2403(12) 0.1242(6) 0.048(6) Uani 1 1 d . . . H30 H -0.0937 0.2869 0.1132 0.058 Uiso 1 1 calc R . . C31 C -0.0301(9) 0.3842(10) 0.1521(5) 0.030(5) Uani 1 1 d . . . C32 C -0.0772(10) 0.4104(11) 0.1673(6) 0.044(6) Uani 1 1 d . . . H32 H -0.0864 0.3915 0.1910 0.052 Uiso 1 1 calc R . . C33 C -0.1137(12) 0.4657(14) 0.1492(7) 0.062(7) Uani 1 1 d . . . H33 H -0.1479 0.4812 0.1598 0.075 Uiso 1 1 calc R . . C34 C -0.0981(12) 0.4964(12) 0.1157(7) 0.056(7) Uani 1 1 d . . . H34 H -0.1222 0.5327 0.1032 0.067 Uiso 1 1 calc R . . C35 C -0.0476(12) 0.4746(13) 0.1003(8) 0.060(7) Uani 1 1 d . . . H35 H -0.0357 0.4975 0.0783 0.071 Uiso 1 1 calc R . . C36 C -0.0151(9) 0.4181(10) 0.1181(6) 0.037(5) Uani 1 1 d U . . H36 H 0.0184 0.4015 0.1071 0.044 Uiso 1 1 calc R . . P6 P 0.2616(2) 0.2813(3) -0.00628(13) 0.0262(11) Uani 1 1 d . . . C37 C 0.1937(8) 0.2844(9) -0.0393(5) 0.024(4) Uani 1 1 d U . . C38 C 0.1406(9) 0.2674(10) -0.0265(5) 0.030(5) Uani 1 1 d . . . H38 H 0.1405 0.2498 -0.0013 0.036 Uiso 1 1 calc R . . C39 C 0.0853(12) 0.2750(15) -0.0494(7) 0.063(7) Uani 1 1 d . . . H39 H 0.0497 0.2681 -0.0386 0.076 Uiso 1 1 calc R . . C40 C 0.0855(10) 0.2930(12) -0.0885(6) 0.045(6) Uani 1 1 d . . . H40 H 0.0499 0.2947 -0.1047 0.054 Uiso 1 1 calc R . . C41 C 0.1397(10) 0.3085(10) -0.1032(5) 0.038(5) Uani 1 1 d . . . H41 H 0.1409 0.3217 -0.1291 0.046 Uiso 1 1 calc R . . C42 C 0.1920(10) 0.3034(10) -0.0776(5) 0.035(5) Uani 1 1 d . . . H42 H 0.2281 0.3136 -0.0873 0.042 Uiso 1 1 calc R . . C43 C 0.3048(10) 0.3561(11) -0.0254(5) 0.037(5) Uani 1 1 d . . . C44 C 0.3543(9) 0.3476(11) -0.0436(5) 0.033(5) Uani 1 1 d . . . H44 H 0.3702 0.3005 -0.0453 0.040 Uiso 1 1 calc R . . C45 C 0.3824(12) 0.4051(14) -0.0596(6) 0.056(7) Uani 1 1 d . . . H45 H 0.4175 0.3984 -0.0710 0.067 Uiso 1 1 calc R . . C46 C 0.3562(15) 0.4733(18) -0.0580(7) 0.083(11) Uani 1 1 d . . . H46 H 0.3732 0.5134 -0.0694 0.100 Uiso 1 1 calc R . . C47 C 0.3053(14) 0.4837(13) -0.0399(6) 0.067(9) Uani 1 1 d . . . H47 H 0.2893 0.5308 -0.0384 0.081 Uiso 1 1 calc R . . C48 C 0.2780(11) 0.4248(11) -0.0240(5) 0.041(6) Uani 1 1 d . . . H48 H 0.2427 0.4308 -0.0126 0.049 Uiso 1 1 calc R . . C49 C 0.2994(9) 0.1982(10) -0.0184(5) 0.034(5) Uani 1 1 d . . . C50 C 0.2993(10) 0.1712(12) -0.0554(6) 0.045(6) Uani 1 1 d . . . H50 H 0.2781 0.1972 -0.0755 0.054 Uiso 1 1 calc R . . C51 C 0.3292(11) 0.1066(13) -0.0649(7) 0.053(7) Uani 1 1 d . . . H51 H 0.3255 0.0883 -0.0901 0.064 Uiso 1 1 calc R . . C52 C 0.3631(12) 0.0724(14) -0.0362(7) 0.060(7) Uani 1 1 d . . . H52 H 0.3855 0.0316 -0.0423 0.072 Uiso 1 1 calc R . . C53 C 0.3663(11) 0.0960(12) 0.0030(6) 0.051(6) Uani 1 1 d . . . H53 H 0.3893 0.0706 0.0225 0.061 Uiso 1 1 calc R . . P7 P 0.3296(2) 0.0685(3) 0.12736(14) 0.0265(11) Uani 1 1 d . . . C54 C 0.3340(9) 0.1587(11) 0.0115(6) 0.039(5) Uani 1 1 d . . . H54 H 0.3350 0.1748 0.0370 0.047 Uiso 1 1 calc R . . C55 C 0.2834(9) -0.0069(9) 0.1061(5) 0.027(5) Uani 1 1 d . . . C56 C 0.2342(9) -0.0226(10) 0.1209(6) 0.031(5) Uani 1 1 d . . . H56 H 0.2252 0.0057 0.1420 0.038 Uiso 1 1 calc R . . C57 C 0.1938(10) -0.0778(11) 0.1084(6) 0.040(5) Uani 1 1 d . . . H57 H 0.1600 -0.0876 0.1207 0.048 Uiso 1 1 calc R . . C58 C 0.2075(11) -0.1172(11) 0.0761(7) 0.050(6) Uani 1 1 d . . . H58 H 0.1825 -0.1546 0.0658 0.060 Uiso 1 1 calc R . . C59 C 0.2606(10) -0.0995(11) 0.0590(6) 0.042(5) Uani 1 1 d U . . H59 H 0.2710 -0.1267 0.0379 0.050 Uiso 1 1 calc R . . C60 C 0.2957(11) -0.0437(11) 0.0732(6) 0.050(6) Uani 1 1 d . . . H60 H 0.3286 -0.0299 0.0606 0.059 Uiso 1 1 calc R . . C61 C 0.3469(8) 0.0389(10) 0.1787(5) 0.025(4) Uani 1 1 d . . . C62 C 0.3456(8) 0.0908(10) 0.2084(5) 0.029(4) Uani 1 1 d U . . H62 H 0.3339 0.1393 0.2031 0.034 Uiso 1 1 calc R . . C63 C 0.3619(10) 0.0682(13) 0.2457(6) 0.047(6) Uani 1 1 d . . . H63 H 0.3624 0.1025 0.2658 0.056 Uiso 1 1 calc R . . C64 C 0.3772(9) -0.0024(12) 0.2543(6) 0.038(5) Uani 1 1 d . . . H64 H 0.3889 -0.0159 0.2799 0.046 Uiso 1 1 calc R . . C65 C 0.3757(11) -0.0542(14) 0.2252(7) 0.060(7) Uani 1 1 d . . . H65 H 0.3854 -0.1030 0.2312 0.071 Uiso 1 1 calc R . . C66 C 0.3600(9) -0.0344(11) 0.1872(6) 0.041(6) Uani 1 1 d . . . H66 H 0.3582 -0.0695 0.1675 0.049 Uiso 1 1 calc R . . C67 C 0.4035(9) 0.0606(10) 0.1103(5) 0.030(5) Uani 1 1 d . . . C68 C 0.4320(10) 0.1275(13) 0.1015(6) 0.047(6) Uani 1 1 d . . . H68 H 0.4119 0.1723 0.1014 0.056 Uiso 1 1 calc R . . C69 C 0.4914(10) 0.1238(12) 0.0932(7) 0.047(6) Uani 1 1 d . . . H69 H 0.5125 0.1668 0.0895 0.057 Uiso 1 1 calc R . . C70 C 0.5182(12) 0.0560(16) 0.0905(7) 0.064(8) Uani 1 1 d . . . H70 H 0.5569 0.0538 0.0836 0.077 Uiso 1 1 calc R . . C71 C 0.4881(13) -0.0105(14) 0.0980(8) 0.069(8) Uani 1 1 d . . . H71 H 0.5065 -0.0561 0.0961 0.083 Uiso 1 1 calc R . . P8 P 0.4383(2) 0.3502(3) 0.14460(15) 0.0308(12) Uani 1 1 d . . . C72 C 0.4315(10) -0.0056(13) 0.1081(7) 0.053(6) Uani 1 1 d . . . H72 H 0.4114 -0.0485 0.1135 0.063 Uiso 1 1 calc R . . C73 C 0.4831(8) 0.2928(10) 0.1782(5) 0.027(4) Uani 1 1 d . . . C74 C 0.4617(11) 0.2221(12) 0.1866(6) 0.046(6) Uani 1 1 d . . . H74 H 0.4223 0.2103 0.1783 0.055 Uiso 1 1 calc R . . C75 C 0.4982(12) 0.1684(14) 0.2073(8) 0.066(8) Uani 1 1 d . . . H75 H 0.4827 0.1217 0.2114 0.079 Uiso 1 1 calc R . . C76 C 0.5564(12) 0.1842(13) 0.2216(7) 0.056(7) Uani 1 1 d . . . H76 H 0.5812 0.1495 0.2350 0.067 Uiso 1 1 calc R . . C77 C 0.5752(11) 0.2556(13) 0.2145(6) 0.055(6) Uani 1 1 d . . . H77 H 0.6137 0.2693 0.2242 0.066 Uiso 1 1 calc R . . C78 C 0.5391(9) 0.3082(12) 0.1936(6) 0.038(5) Uani 1 1 d . . . H78 H 0.5544 0.3551 0.1902 0.046 Uiso 1 1 calc R . . C79 C 0.4610(9) 0.4438(10) 0.1618(5) 0.030(5) Uani 1 1 d . . . C80 C 0.4493(10) 0.4612(11) 0.1995(6) 0.042(6) Uani 1 1 d . . . H80 H 0.4310 0.4268 0.2143 0.050 Uiso 1 1 calc R . . C81 C 0.4648(11) 0.5290(12) 0.2147(8) 0.063(8) Uani 1 1 d . . . H81 H 0.4579 0.5407 0.2400 0.076 Uiso 1 1 calc R . . C82 C 0.4919(11) 0.5818(12) 0.1910(7) 0.050(6) Uani 1 1 d . . . H82 H 0.5017 0.6283 0.2012 0.060 Uiso 1 1 calc R . . C83 C 0.5034(11) 0.5656(13) 0.1541(7) 0.055(7) Uani 1 1 d . . . H83 H 0.5218 0.5999 0.1393 0.067 Uiso 1 1 calc R . . C84 C 0.4866(10) 0.4948(11) 0.1389(6) 0.041(5) Uani 1 1 d . . . H84 H 0.4928 0.4829 0.1136 0.049 Uiso 1 1 calc R . . C85 C 0.4732(8) 0.3336(9) 0.0998(5) 0.021(4) Uani 1 1 d U . . C86 C 0.5317(10) 0.3433(11) 0.0973(6) 0.039(5) Uani 1 1 d . . . H86 H 0.5558 0.3631 0.1182 0.047 Uiso 1 1 calc R . . C87 C 0.5572(12) 0.3232(14) 0.0625(7) 0.060(7) Uani 1 1 d . . . H87 H 0.5976 0.3310 0.0605 0.072 Uiso 1 1 calc R . . C88 C 0.5217(13) 0.2930(12) 0.0329(7) 0.056(7) Uani 1 1 d . . . H88 H 0.5380 0.2784 0.0105 0.067 Uiso 1 1 calc R . . C89 C 0.4632(13) 0.2835(11) 0.0353(6) 0.050(7) Uani 1 1 d . . . H89 H 0.4394 0.2639 0.0142 0.060 Uiso 1 1 calc R . . P9 P 0.2858(3) 0.3127(3) 0.27246(14) 0.0322(13) Uani 1 1 d . . . C90 C 0.4373(9) 0.3027(10) 0.0689(6) 0.038(5) Uani 1 1 d . . . H90 H 0.3969 0.2950 0.0705 0.046 Uiso 1 1 calc R . . C91 C 0.3592(10) 0.3531(13) 0.2860(6) 0.045(6) Uani 1 1 d . . . C92 C 0.3639(13) 0.4200(17) 0.3066(8) 0.080(9) Uani 1 1 d . . . H92 H 0.3305 0.4425 0.3151 0.096 Uiso 1 1 calc R . . C93 C 0.4241(18) 0.453(2) 0.3144(8) 0.102(12) Uani 1 1 d . . . H93 H 0.4292 0.4989 0.3268 0.123 Uiso 1 1 calc R . . C94 C 0.4722(16) 0.416(2) 0.3028(9) 0.094(11) Uani 1 1 d . . . H94 H 0.5100 0.4363 0.3075 0.112 Uiso 1 1 calc R . . C95 C 0.4663(13) 0.348(2) 0.2843(8) 0.091(11) Uani 1 1 d . . . H95 H 0.5000 0.3221 0.2791 0.109 Uiso 1 1 calc R . . C96 C 0.4101(12) 0.3194(17) 0.2736(7) 0.069(8) Uani 1 1 d . . . H96 H 0.4060 0.2775 0.2580 0.083 Uiso 1 1 calc R . . C97 C 0.2909(11) 0.2222(13) 0.2948(5) 0.044(6) Uani 1 1 d . . . C98 C 0.2460(13) 0.1757(14) 0.2857(6) 0.064(9) Uani 1 1 d . . . H98 H 0.2170 0.1892 0.2658 0.076 Uiso 1 1 calc R . . C99 C 0.2394(12) 0.1078(13) 0.3039(7) 0.057(7) Uani 1 1 d . . . H99 H 0.2083 0.0757 0.2961 0.068 Uiso 1 1 calc R . . C100 C 0.2813(13) 0.0916(15) 0.3338(8) 0.067(8) Uani 1 1 d U . . H100 H 0.2773 0.0483 0.3477 0.080 Uiso 1 1 calc R . . C101 C 0.3288(14) 0.1362(15) 0.3442(6) 0.072(10) Uani 1 1 d . . . H101 H 0.3572 0.1223 0.3643 0.087 Uiso 1 1 calc R . . C102 C 0.3348(10) 0.2007(14) 0.3253(5) 0.047(6) Uani 1 1 d . . . H102 H 0.3675 0.2309 0.3323 0.057 Uiso 1 1 calc R . . C103 C 0.2359(9) 0.3602(10) 0.3018(5) 0.032(5) Uani 1 1 d U . . C104 C 0.2073(11) 0.4234(11) 0.2876(5) 0.043(6) Uani 1 1 d . . . H104 H 0.2149 0.4417 0.2635 0.052 Uiso 1 1 calc R . . C105 C 0.1674(12) 0.4600(11) 0.3088(6) 0.052(7) Uani 1 1 d . . . H105 H 0.1493 0.5033 0.2993 0.063 Uiso 1 1 calc R . . C106 C 0.1544(12) 0.4309(11) 0.3451(6) 0.052(7) Uani 1 1 d . . . H106 H 0.1265 0.4539 0.3589 0.062 Uiso 1 1 calc R . . C107 C 0.1829(10) 0.3695(11) 0.3593(6) 0.045(6) Uani 1 1 d . . . H107 H 0.1746 0.3511 0.3832 0.053 Uiso 1 1 calc R . . P10 P 0.1352(2) 0.5356(2) 0.18334(14) 0.0264(12) Uani 1 1 d . . . C108 C 0.2251(10) 0.3324(11) 0.3386(5) 0.040(5) Uani 1 1 d . . . H108 H 0.2451 0.2909 0.3489 0.047 Uiso 1 1 calc R . . C109 C 0.0652(9) 0.5280(10) 0.2046(6) 0.033(5) Uani 1 1 d . . . C110 C 0.0598(11) 0.4763(11) 0.2322(5) 0.041(6) Uani 1 1 d . . . H110 H 0.0892 0.4405 0.2370 0.049 Uiso 1 1 calc R . . C111 C 0.0121(9) 0.4759(11) 0.2531(6) 0.036(5) Uani 1 1 d . . . H111 H 0.0109 0.4412 0.2728 0.043 Uiso 1 1 calc R . . C112 C -0.0338(11) 0.5242(10) 0.2465(6) 0.045(6) Uani 1 1 d . . . H112 H -0.0671 0.5213 0.2601 0.054 Uiso 1 1 calc R . . C113 C -0.0290(9) 0.5789(10) 0.2180(6) 0.037(5) Uani 1 1 d . . . H113 H -0.0584 0.6148 0.2133 0.045 Uiso 1 1 calc R . . C114 C 0.0189(10) 0.5782(12) 0.1978(6) 0.045(6) Uani 1 1 d . . . H114 H 0.0210 0.6131 0.1783 0.054 Uiso 1 1 calc R . . C115 C 0.1185(8) 0.6022(9) 0.1435(5) 0.025(4) Uani 1 1 d . . . C116 C 0.1249(10) 0.6765(10) 0.1498(5) 0.035(5) Uani 1 1 d . . . H116 H 0.1411 0.6935 0.1739 0.042 Uiso 1 1 calc R . . C117 C 0.1071(9) 0.7274(11) 0.1202(6) 0.035(5) Uani 1 1 d . . . H117 H 0.1114 0.7779 0.1244 0.042 Uiso 1 1 calc R . . C118 C 0.0835(10) 0.7010(12) 0.0852(6) 0.047(6) Uani 1 1 d . . . H118 H 0.0716 0.7337 0.0652 0.056 Uiso 1 1 calc R . . C119 C 0.0768(10) 0.6252(12) 0.0790(6) 0.044(6) Uani 1 1 d . . . H119 H 0.0599 0.6079 0.0550 0.053 Uiso 1 1 calc R . . C120 C 0.0952(9) 0.5760(12) 0.1081(5) 0.038(5) Uani 1 1 d . . . H120 H 0.0917 0.5254 0.1037 0.045 Uiso 1 1 calc R . . C121 C 0.1843(9) 0.5815(9) 0.2211(5) 0.025(4) Uani 1 1 d U . . C122 C 0.2409(12) 0.5639(12) 0.2235(7) 0.053(7) Uani 1 1 d . . . H122 H 0.2536 0.5302 0.2058 0.064 Uiso 1 1 calc R . . C123 C 0.2819(15) 0.5931(16) 0.2508(9) 0.081(9) Uani 1 1 d . . . H123 H 0.3223 0.5825 0.2513 0.097 Uiso 1 1 calc R . . C124 C 0.2605(16) 0.6393(19) 0.2780(8) 0.090(12) Uani 1 1 d . . . H124 H 0.2869 0.6576 0.2981 0.109 Uiso 1 1 calc R . . C125 C 0.1990(14) 0.6598(13) 0.2760(8) 0.069(8) Uani 1 1 d . . . H125 H 0.1854 0.6926 0.2938 0.083 Uiso 1 1 calc R . . P11 P 0.2853(2) 0.5495(3) 0.08235(14) 0.0267(12) Uani 1 1 d . . . C126 C 0.1617(11) 0.6298(11) 0.2473(5) 0.041(6) Uani 1 1 d . . . H126 H 0.1212 0.6411 0.2451 0.049 Uiso 1 1 calc R . . C127 C 0.2930(9) 0.6253(11) 0.1190(6) 0.037(5) Uani 1 1 d . . . C128 C 0.3361(10) 0.6154(12) 0.1502(6) 0.047(6) Uani 1 1 d . . . H128 H 0.3587 0.5725 0.1528 0.056 Uiso 1 1 calc R . . C129 C 0.3445(12) 0.6723(14) 0.1779(7) 0.058(7) Uani 1 1 d . . . H129 H 0.3740 0.6674 0.1987 0.070 Uiso 1 1 calc R . . C130 C 0.3107(10) 0.7338(13) 0.1750(6) 0.049(6) Uani 1 1 d . . . H130 H 0.3154 0.7702 0.1940 0.059 Uiso 1 1 calc R . . C131 C 0.2683(11) 0.7416(13) 0.1427(7) 0.058(7) Uani 1 1 d . . . H131 H 0.2473 0.7856 0.1389 0.069 Uiso 1 1 calc R . . C132 C 0.2574(10) 0.6845(10) 0.1162(6) 0.040(5) Uani 1 1 d . . . H132 H 0.2257 0.6873 0.0967 0.049 Uiso 1 1 calc R . . C133 C 0.2424(9) 0.5877(10) 0.0400(6) 0.034(5) Uani 1 1 d . . . C134 C 0.1892(9) 0.5497(10) 0.0273(5) 0.032(5) Uani 1 1 d . . . H134 H 0.1749 0.5121 0.0421 0.038 Uiso 1 1 calc R . . C135 C 0.1576(10) 0.5711(11) -0.0096(6) 0.041(5) Uani 1 1 d . . . H135 H 0.1240 0.5447 -0.0194 0.049 Uiso 1 1 calc R . . C136 C 0.1764(11) 0.6299(11) -0.0305(6) 0.046(6) Uani 1 1 d . . . H136 H 0.1553 0.6446 -0.0537 0.055 Uiso 1 1 calc R . . C137 C 0.2284(12) 0.6667(13) -0.0155(6) 0.052(6) Uani 1 1 d . . . H137 H 0.2422 0.7059 -0.0294 0.063 Uiso 1 1 calc R . . C138 C 0.2596(10) 0.6468(11) 0.0190(7) 0.049(6) Uani 1 1 d . . . H138 H 0.2932 0.6738 0.0283 0.059 Uiso 1 1 calc R . . C139 C 0.3599(8) 0.5457(10) 0.0670(5) 0.025(4) Uani 1 1 d . . . C140 C 0.3802(9) 0.4811(10) 0.0517(5) 0.030(5) Uani 1 1 d . . . H140 H 0.3566 0.4389 0.0504 0.036 Uiso 1 1 calc R . . C141 C 0.4349(9) 0.4799(11) 0.0387(6) 0.034(5) Uani 1 1 d . . . H141 H 0.4494 0.4357 0.0297 0.041 Uiso 1 1 calc R . . C142 C 0.4688(9) 0.5418(12) 0.0384(6) 0.037(5) Uani 1 1 d . . . H142 H 0.5054 0.5401 0.0283 0.045 Uiso 1 1 calc R . . C143 C 0.4497(10) 0.6066(12) 0.0530(6) 0.041(5) Uani 1 1 d . . . H143 H 0.4733 0.6487 0.0532 0.049 Uiso 1 1 calc R . . C144 C 0.3946(8) 0.6090(11) 0.0674(5) 0.029(5) Uani 1 1 d . . . H144 H 0.3810 0.6528 0.0774 0.035 Uiso 1 1 calc R . . C500 C 0.220(2) 0.908(3) 0.2455(13) 0.055(13) Uani 0.50 1 d PU . . H50A H 0.2558 0.9173 0.2327 0.066 Uiso 0.50 1 calc PR . . H50B H 0.2023 0.9551 0.2499 0.066 Uiso 0.50 1 calc PR . . Cl50 Cl 0.1752(13) 0.8640(10) 0.2156(6) 0.161(11) Uani 0.50 1 d P . . Cl51 Cl 0.2412(10) 0.8748(9) 0.2855(7) 0.134(8) Uani 0.50 1 d P . . Cl10 Cl 0.5355(14) 0.7450(16) 0.1189(11) 0.096(11) Uani 0.25 1 d P . . Cl12 Cl 0.3983(14) 0.6850(15) 0.5353(10) 0.085(9) Uani 0.25 1 d PU . . Cl13 Cl 0.7020(12) 0.0829(18) 0.1129(8) 0.082(10) Uani 0.25 1 d P . . Cl14 Cl 0.4159(16) 0.7996(13) 0.1217(10) 0.093(12) Uani 0.25 1 d P . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Au1 0.0240(4) 0.0187(3) 0.0107(3) -0.0002(3) 0.0031(3) 0.0004(3) Au2 0.0279(4) 0.0230(4) 0.0138(3) -0.0027(3) 0.0008(3) -0.0001(3) Au3 0.0312(5) 0.0246(4) 0.0166(3) 0.0039(3) 0.0026(3) 0.0007(3) Au4 0.0267(4) 0.0244(4) 0.0202(4) 0.0000(3) 0.0066(3) -0.0006(3) Au5 0.0294(5) 0.0258(4) 0.0174(4) 0.0031(3) -0.0001(3) 0.0021(3) Au6 0.0307(5) 0.0284(4) 0.0128(3) -0.0012(3) 0.0059(3) 0.0002(3) Au7 0.0281(4) 0.0223(4) 0.0218(4) -0.0013(3) 0.0029(3) 0.0031(3) Au8 0.0236(4) 0.0252(4) 0.0280(4) 0.0002(3) -0.0006(3) -0.0011(3) Au9 0.0348(5) 0.0326(4) 0.0125(3) -0.0025(3) 0.0000(3) 0.0008(3) Au10 0.0324(5) 0.0192(4) 0.0231(4) -0.0012(3) 0.0112(3) 0.0008(3) Au11 0.0271(4) 0.0227(4) 0.0195(4) 0.0041(3) 0.0059(3) -0.0005(3) Cl3 0.065(4) 0.041(3) 0.036(3) 0.022(2) 0.008(3) -0.014(3) Cl5 0.046(3) 0.031(3) 0.032(3) 0.010(2) -0.013(2) -0.001(2) P2 0.027(3) 0.025(2) 0.013(2) -0.0015(19) -0.001(2) -0.003(2) C1 0.057(15) 0.012(9) 0.010(9) -0.001(7) -0.012(9) -0.004(9) C2 0.049(15) 0.047(13) 0.037(13) -0.024(10) -0.011(11) 0.025(11) C3 0.047(15) 0.062(15) 0.023(11) -0.006(10) 0.001(10) 0.020(12) C4 0.055(16) 0.036(12) 0.014(10) -0.008(8) 0.000(10) -0.004(10) C5 0.048(16) 0.065(15) 0.014(10) -0.016(10) -0.006(10) 0.005(12) C6 0.028(13) 0.054(14) 0.036(12) -0.003(10) 0.015(10) 0.009(10) C7 0.033(12) 0.028(10) 0.015(9) -0.005(8) 0.011(8) -0.005(9) C8 0.038(13) 0.024(10) 0.025(10) -0.002(8) -0.005(9) 0.007(9) C9 0.031(13) 0.036(12) 0.037(12) -0.002(9) -0.002(10) -0.009(10) C10 0.012(11) 0.051(13) 0.035(12) 0.005(10) -0.007(9) 0.014(9) C11 0.028(13) 0.039(12) 0.042(12) -0.001(10) -0.003(10) 0.014(10) C12 0.032(13) 0.038(11) 0.015(9) 0.007(8) 0.003(8) 0.002(9) C13 0.050(14) 0.014(9) 0.024(10) 0.002(8) -0.006(9) 0.014(9) C14 0.039(14) 0.031(11) 0.028(11) 0.004(9) 0.009(10) -0.003(9) C15 0.049(16) 0.073(17) 0.031(12) -0.001(12) 0.011(11) -0.010(13) C16 0.054(17) 0.029(12) 0.064(17) 0.027(11) -0.003(13) -0.009(11) C17 0.024(12) 0.015(9) 0.047(13) 0.012(9) -0.011(10) 0.002(8) C18 0.027(12) 0.036(11) 0.026(10) -0.001(9) 0.008(9) 0.001(9) P4 0.028(3) 0.020(2) 0.019(2) 0.0003(19) 0.005(2) -0.002(2) C19 0.014(7) 0.015(7) 0.030(7) -0.004(6) -0.001(6) -0.005(6) C20 0.040(13) 0.017(9) 0.026(10) -0.004(8) 0.009(9) 0.014(8) C21 0.09(2) 0.027(12) 0.025(11) 0.004(9) 0.006(12) 0.009(12) C22 0.09(2) 0.020(11) 0.042(14) -0.010(10) 0.019(15) -0.017(12) C23 0.058(17) 0.020(10) 0.048(14) -0.008(9) 0.044(13) -0.009(10) C24 0.045(14) 0.025(10) 0.031(11) -0.007(8) 0.008(10) -0.006(9) C25 0.013(10) 0.029(10) 0.019(9) 0.003(7) 0.008(8) -0.011(8) C26 0.037(13) 0.024(10) 0.043(12) -0.006(9) -0.016(10) -0.007(9) C27 0.059(17) 0.026(11) 0.047(14) -0.001(10) -0.003(12) 0.007(11) C28 0.052(16) 0.039(13) 0.037(13) -0.011(10) 0.008(12) -0.019(11) C29 0.072(19) 0.051(15) 0.038(13) -0.003(11) -0.020(12) -0.022(13) C30 0.061(17) 0.044(13) 0.036(13) 0.005(10) -0.013(12) -0.015(12) C31 0.034(13) 0.031(11) 0.027(11) -0.008(8) 0.009(9) 0.007(9) C32 0.051(16) 0.037(12) 0.042(13) -0.003(10) 0.003(12) 0.003(11) C33 0.056(19) 0.070(18) 0.062(17) -0.011(14) 0.008(14) 0.024(14) C34 0.07(2) 0.041(14) 0.058(16) 0.007(12) -0.017(14) 0.022(13) C35 0.059(19) 0.042(14) 0.075(19) 0.001(13) -0.002(15) -0.013(13) C36 0.036(9) 0.032(8) 0.041(8) 0.018(7) 0.001(7) 0.005(7) P6 0.033(3) 0.031(3) 0.016(2) -0.002(2) 0.006(2) 0.003(2) C37 0.027(8) 0.022(7) 0.025(7) -0.011(6) 0.008(7) 0.004(6) C38 0.042(14) 0.033(11) 0.016(10) 0.001(8) 0.012(9) -0.005(9) C39 0.046(17) 0.10(2) 0.050(16) 0.001(14) 0.019(13) -0.021(15) C40 0.027(13) 0.060(15) 0.047(14) -0.009(12) -0.006(11) -0.001(11) C41 0.067(17) 0.036(12) 0.011(9) 0.001(8) -0.001(10) 0.003(11) C42 0.049(15) 0.044(12) 0.014(10) -0.010(9) 0.013(9) 0.008(10) C43 0.054(16) 0.038(12) 0.019(10) 0.011(9) 0.006(10) -0.015(11) C44 0.041(14) 0.036(11) 0.022(10) 0.012(9) 0.002(10) -0.014(10) C45 0.060(18) 0.065(17) 0.045(14) -0.029(13) 0.018(13) -0.021(14) C46 0.13(3) 0.10(2) 0.019(13) 0.012(14) -0.015(16) -0.06(2) C47 0.12(3) 0.047(15) 0.036(14) 0.005(11) 0.037(16) 0.019(16) C48 0.064(17) 0.033(12) 0.029(11) -0.008(9) 0.018(11) -0.006(11) C49 0.043(14) 0.032(11) 0.028(11) -0.011(9) 0.008(10) 0.001(10) C50 0.065(17) 0.049(14) 0.023(11) -0.011(10) 0.010(11) 0.012(12) C51 0.072(19) 0.055(15) 0.036(13) -0.001(11) 0.020(13) 0.013(13) C52 0.07(2) 0.064(17) 0.047(15) -0.016(13) 0.013(14) 0.021(14) C53 0.073(19) 0.049(14) 0.033(12) -0.006(10) 0.017(12) 0.015(12) P7 0.030(3) 0.024(3) 0.025(3) -0.003(2) 0.000(2) 0.001(2) C54 0.044(14) 0.035(12) 0.041(13) -0.007(10) 0.012(11) 0.015(10) C55 0.045(14) 0.011(9) 0.024(10) -0.001(7) -0.001(9) 0.013(8) C56 0.033(13) 0.030(11) 0.033(11) 0.003(9) 0.011(10) -0.006(9) C57 0.034(14) 0.040(13) 0.045(13) 0.007(11) -0.008(11) 0.002(10) C58 0.051(16) 0.035(12) 0.057(15) -0.003(11) -0.026(13) -0.012(11) C59 0.056(10) 0.033(8) 0.036(8) -0.012(7) 0.004(8) -0.002(7) C60 0.052(16) 0.042(13) 0.049(14) -0.010(11) -0.022(12) -0.007(11) C61 0.020(11) 0.027(10) 0.026(10) 0.006(8) 0.002(8) 0.000(8) C62 0.025(8) 0.027(8) 0.035(8) 0.007(7) 0.009(7) 0.012(6) C63 0.048(15) 0.064(16) 0.025(11) 0.013(11) -0.013(10) 0.005(12) C64 0.036(14) 0.055(14) 0.024(11) 0.014(10) -0.003(10) 0.008(11) C65 0.07(2) 0.068(17) 0.039(14) 0.028(13) 0.000(13) 0.003(14) C66 0.043(15) 0.032(12) 0.043(13) -0.021(10) -0.009(11) 0.007(10) C67 0.050(14) 0.026(10) 0.013(9) -0.004(8) -0.003(9) 0.008(10) C68 0.041(15) 0.063(16) 0.036(13) -0.010(11) 0.008(11) 0.021(12) C69 0.038(15) 0.036(13) 0.069(16) 0.001(11) 0.010(12) 0.010(11) C70 0.052(18) 0.09(2) 0.048(15) -0.003(14) 0.016(13) 0.032(16) C71 0.07(2) 0.044(15) 0.10(2) -0.006(15) 0.000(17) 0.031(14) P8 0.032(3) 0.030(3) 0.029(3) 0.002(2) -0.005(2) -0.002(2) C72 0.032(15) 0.050(14) 0.075(17) 0.004(13) 0.002(13) 0.026(11) C73 0.017(11) 0.028(10) 0.035(11) -0.007(8) -0.002(9) -0.014(8) C74 0.061(17) 0.051(14) 0.026(11) 0.023(10) 0.001(11) 0.004(12) C75 0.052(18) 0.056(16) 0.09(2) 0.037(15) 0.031(16) 0.013(13) C76 0.059(19) 0.054(16) 0.051(15) 0.011(12) -0.010(13) -0.001(13) C77 0.052(17) 0.062(16) 0.050(15) -0.011(13) 0.005(13) 0.002(13) C78 0.017(11) 0.060(14) 0.034(12) 0.000(10) -0.009(9) 0.018(10) C79 0.031(12) 0.027(10) 0.031(11) -0.003(9) -0.004(9) -0.001(9) C80 0.063(17) 0.029(11) 0.038(13) -0.006(9) 0.023(12) -0.008(10) C81 0.063(19) 0.032(13) 0.09(2) 0.001(14) -0.002(16) 0.016(12) C82 0.065(18) 0.030(12) 0.053(15) -0.011(11) -0.003(13) 0.005(11) C83 0.067(19) 0.051(15) 0.050(15) -0.013(12) 0.013(13) -0.028(13) C84 0.049(15) 0.036(12) 0.037(12) 0.011(10) -0.002(11) 0.000(10) C85 0.009(7) 0.021(7) 0.034(8) 0.003(6) 0.004(6) 0.002(6) C86 0.036(14) 0.036(12) 0.049(14) 0.003(10) 0.020(11) 0.000(10) C87 0.048(17) 0.071(18) 0.065(18) -0.003(14) 0.019(14) -0.001(14) C88 0.08(2) 0.047(15) 0.040(14) 0.010(11) 0.022(15) 0.022(14) C89 0.08(2) 0.038(13) 0.028(12) -0.001(10) 0.010(13) 0.012(13) P9 0.043(4) 0.039(3) 0.015(2) -0.002(2) 0.002(2) 0.003(3) C90 0.031(13) 0.032(11) 0.051(14) 0.027(10) 0.005(11) -0.001(9) C91 0.033(14) 0.069(16) 0.029(12) 0.004(11) -0.010(10) 0.003(12) C92 0.051(19) 0.12(3) 0.066(19) -0.026(18) -0.023(15) -0.017(17) C93 0.12(3) 0.13(3) 0.048(18) -0.028(19) -0.03(2) -0.04(3) C94 0.07(3) 0.15(4) 0.05(2) -0.01(2) -0.003(18) -0.04(2) C95 0.05(2) 0.18(4) 0.040(16) -0.02(2) 0.001(14) -0.02(2) C96 0.044(17) 0.13(3) 0.033(14) -0.001(15) 0.007(12) -0.009(17) C97 0.062(18) 0.061(15) 0.006(10) 0.000(9) -0.008(10) -0.003(13) C98 0.10(2) 0.068(18) 0.020(12) -0.001(12) 0.006(13) 0.055(17) C99 0.08(2) 0.046(14) 0.048(15) 0.013(12) 0.001(14) 0.007(13) C100 0.076(11) 0.064(10) 0.062(11) 0.014(8) 0.017(9) 0.004(9) C101 0.12(3) 0.08(2) 0.016(12) 0.020(13) 0.010(14) 0.054(19) C102 0.035(14) 0.088(18) 0.020(11) -0.006(11) 0.007(10) 0.028(12) C103 0.044(9) 0.034(8) 0.018(7) -0.005(6) 0.002(7) 0.001(7) C104 0.075(18) 0.042(13) 0.014(10) 0.006(9) 0.010(11) -0.002(12) C105 0.09(2) 0.030(12) 0.034(13) 0.010(10) 0.007(13) 0.000(12) C106 0.10(2) 0.033(12) 0.028(12) -0.009(10) 0.023(13) 0.018(13) C107 0.062(17) 0.042(13) 0.032(12) 0.004(10) 0.016(11) 0.011(12) P10 0.035(3) 0.019(2) 0.028(3) 0.002(2) 0.012(2) 0.004(2) C108 0.059(16) 0.047(13) 0.011(10) -0.005(9) -0.004(10) 0.011(11) C109 0.042(14) 0.021(10) 0.037(12) 0.006(9) 0.008(10) 0.012(9) C110 0.072(17) 0.036(12) 0.018(10) -0.008(9) 0.022(11) -0.004(11) C111 0.032(13) 0.041(12) 0.040(12) -0.004(10) 0.022(10) -0.003(10) C112 0.078(19) 0.026(11) 0.035(12) -0.018(9) 0.023(12) -0.004(11) C113 0.033(13) 0.028(11) 0.053(14) -0.003(10) 0.014(11) 0.009(9) C114 0.057(17) 0.048(14) 0.032(12) 0.003(10) 0.017(11) -0.009(12) C115 0.035(12) 0.020(9) 0.022(10) 0.006(8) 0.017(9) 0.005(8) C116 0.064(16) 0.029(11) 0.014(9) 0.001(8) 0.010(10) 0.017(10) C117 0.044(14) 0.031(11) 0.035(12) -0.001(9) 0.021(11) 0.007(9) C118 0.055(17) 0.041(13) 0.045(14) 0.007(11) 0.011(12) 0.010(11) C119 0.059(17) 0.050(14) 0.024(11) 0.002(10) 0.011(11) 0.005(12) C120 0.042(14) 0.049(13) 0.021(11) 0.002(9) 0.000(10) 0.005(10) C121 0.029(8) 0.017(7) 0.027(7) 0.007(6) -0.004(7) -0.016(6) C122 0.08(2) 0.034(13) 0.045(14) -0.010(11) -0.022(14) -0.003(12) C123 0.09(3) 0.08(2) 0.08(2) 0.028(18) 0.03(2) 0.005(18) C124 0.09(3) 0.13(3) 0.044(17) 0.031(18) -0.032(18) -0.06(2) C125 0.10(3) 0.033(13) 0.072(19) 0.001(13) -0.009(18) -0.003(14) P11 0.030(3) 0.020(2) 0.031(3) 0.010(2) 0.006(2) -0.003(2) C126 0.062(16) 0.034(12) 0.025(11) -0.009(9) -0.005(11) -0.001(11) C127 0.037(14) 0.042(13) 0.035(12) 0.011(10) 0.013(10) 0.005(10) C128 0.051(16) 0.049(14) 0.035(12) -0.003(10) -0.021(11) 0.021(11) C129 0.056(18) 0.072(18) 0.045(15) 0.004(13) -0.006(13) -0.004(14) C130 0.052(17) 0.060(16) 0.038(13) 0.003(11) 0.015(12) 0.008(13) C131 0.050(17) 0.054(16) 0.066(17) 0.000(13) -0.008(14) 0.014(13) C132 0.049(15) 0.026(11) 0.043(13) -0.001(10) -0.010(11) -0.002(10) C133 0.036(13) 0.031(11) 0.034(11) 0.016(9) -0.007(10) 0.004(9) C134 0.043(14) 0.026(10) 0.029(11) -0.002(8) 0.019(10) -0.002(9) C135 0.038(14) 0.036(12) 0.048(13) 0.002(10) -0.002(11) -0.003(10) C136 0.064(18) 0.041(13) 0.033(12) 0.014(10) 0.001(12) 0.028(12) C137 0.066(19) 0.053(15) 0.039(14) 0.018(12) 0.012(13) -0.006(13) C138 0.038(15) 0.028(11) 0.082(18) 0.028(12) 0.006(13) -0.001(10) C139 0.016(11) 0.042(11) 0.018(9) 0.003(8) 0.009(8) 0.008(9) C140 0.030(13) 0.034(11) 0.026(10) -0.011(9) 0.006(9) 0.000(9) C141 0.034(13) 0.027(11) 0.043(13) 0.003(9) 0.005(10) 0.002(9) C142 0.021(12) 0.057(14) 0.035(12) 0.000(10) 0.005(10) 0.000(10) C143 0.050(16) 0.040(13) 0.035(12) 0.008(10) 0.014(11) -0.009(11) C144 0.021(12) 0.038(11) 0.028(11) 0.005(9) 0.005(9) 0.007(9) C500 0.055(15) 0.048(15) 0.062(15) -0.003(10) 0.007(10) 0.006(9) Cl50 0.29(3) 0.079(13) 0.104(15) 0.021(11) -0.024(17) -0.080(16) Cl51 0.16(2) 0.060(10) 0.16(2) -0.017(12) -0.046(16) -0.013(11) Cl10 0.07(2) 0.062(18) 0.15(3) -0.019(19) -0.04(2) 0.012(15) Cl12 0.075(16) 0.063(14) 0.123(17) 0.025(13) 0.045(14) -0.014(12) Cl13 0.037(16) 0.14(3) 0.069(18) -0.045(18) -0.014(13) -0.019(16) Cl14 0.13(3) 0.038(14) 0.13(3) -0.003(15) 0.08(2) -0.039(16) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Au1 Au2 2.7075(9) . ? Au1 Au3 2.7199(9) . ? Au1 Au4 2.7312(10) . ? Au1 Au5 2.7067(10) . ? Au1 Au6 2.6919(9) . ? Au1 Au7 2.7055(9) . ? Au1 Au8 2.6511(10) . ? Au1 Au9 2.6436(9) . ? Au1 Au10 2.6814(9) . ? Au1 Au11 2.6906(9) . ? Au2 Au3 2.8870(9) . ? Au2 Au4 2.8816(9) . ? Au2 Au5 3.0334(10) . ? Au2 Au6 2.9810(10) . ? Au2 Au7 3.0243(10) . ? Au2 P2 2.270(5) . ? Au3 Au4 2.8445(10) . ? Au3 Au7 2.8904(10) . ? Au3 Au9 2.8942(10) . ? Au3 Cl3 2.353(5) . ? Au4 Au5 2.9065(10) . ? Au4 Au10 2.8586(10) . ? Au4 P4 2.286(5) . ? Au5 Au6 2.9470(10) . ? Au5 Au10 3.1479(10) . ? Au5 Au11 2.9447(11) . ? Au5 Cl5 2.361(5) . ? Au6 Au7 3.0043(10) . ? Au6 Au8 3.3647(10) . ? Au6 Au11 3.0735(10) . ? Au6 P6 2.298(5) . ? Au7 Au8 2.9545(10) . ? Au7 P7 2.312(5) . ? Au8 Au9 3.1274(10) . ? Au8 Au11 2.9026(10) . ? Au8 P8 2.297(6) . ? Au9 Au10 3.0465(10) . ? Au9 P9 2.300(5) . ? Au10 Au11 2.8637(10) . ? Au10 P10 2.297(5) . ? Au11 P11 2.298(4) . ? P2 C1 1.835(19) . ? P2 C7 1.83(2) . ? P2 C13 1.832(18) . ? C1 C2 1.35(3) . ? C1 C6 1.40(3) . ? C2 H2 0.9300 . ? C2 C3 1.39(3) . ? C3 H3 0.9300 . ? C3 C4 1.38(3) . ? C4 H4 0.9300 . ? C4 C5 1.33(3) . ? C5 H5 0.9300 . ? C5 C6 1.40(3) . ? C6 H6 0.9300 . ? C7 C8 1.38(3) . ? C7 C12 1.37(2) . ? C8 H8 0.9300 . ? C8 C9 1.37(3) . ? C9 H9 0.9300 . ? C9 C10 1.43(3) . ? C10 H10 0.9300 . ? C10 C11 1.35(3) . ? C11 H11 0.9300 . ? C11 C12 1.40(3) . ? C12 H12 0.9300 . ? C13 C14 1.37(2) . ? C13 C18 1.38(2) . ? C14 H14 0.9300 . ? C14 C15 1.38(3) . ? C15 H15 0.9300 . ? C15 C16 1.40(3) . ? C16 H16 0.9300 . ? C16 C17 1.36(3) . ? C17 H17 0.9300 . ? C17 C18 1.41(2) . ? C18 H18 0.9300 . ? P4 C19 1.801(18) . ? P4 C25 1.842(17) . ? P4 C31 1.822(19) . ? C19 C20 1.35(2) . ? C19 C24 1.46(3) . ? C20 H20 0.9300 . ? C20 C21 1.43(3) . ? C21 H21 0.9300 . ? C21 C22 1.34(3) . ? C22 H22 0.9300 . ? C22 C23 1.37(3) . ? C23 H23 0.9300 . ? C23 C24 1.40(3) . ? C24 H24 0.9300 . ? C25 C26 1.39(2) . ? C25 C30 1.35(3) . ? C26 H26 0.9300 . ? C26 C27 1.42(3) . ? C27 H27 0.9300 . ? C27 C28 1.32(3) . ? C28 H28 0.9300 . ? C28 C29 1.35(3) . ? C29 H29 0.9300 . ? C29 C30 1.40(3) . ? C30 H30 0.9300 . ? C31 C32 1.32(3) . ? C31 C36 1.40(3) . ? C32 H32 0.9300 . ? C32 C33 1.40(3) . ? C33 H33 0.9300 . ? C33 C34 1.37(3) . ? C34 H34 0.9300 . ? C34 C35 1.37(3) . ? C35 H35 0.9300 . ? C35 C36 1.37(3) . ? C36 H36 0.9300 . ? P6 C37 1.814(19) . ? P6 C43 1.832(19) . ? P6 C49 1.802(19) . ? C37 C38 1.35(2) . ? C37 C42 1.37(2) . ? C38 H38 0.9300 . ? C38 C39 1.41(3) . ? C39 H39 0.9300 . ? C39 C40 1.39(3) . ? C40 H40 0.9300 . ? C40 C41 1.40(3) . ? C41 H41 0.9300 . ? C41 C42 1.40(3) . ? C42 H42 0.9300 . ? C43 C44 1.35(3) . ? C43 C48 1.39(3) . ? C44 H44 0.9300 . ? C44 C45 1.36(3) . ? C45 H45 0.9300 . ? C45 C46 1.37(4) . ? C46 H46 0.9300 . ? C46 C47 1.37(4) . ? C47 H47 0.9300 . ? C47 C48 1.38(3) . ? C48 H48 0.9300 . ? C49 C50 1.37(3) . ? C49 C54 1.42(3) . ? C50 H50 0.9300 . ? C50 C51 1.41(3) . ? C51 H51 0.9300 . ? C51 C52 1.34(3) . ? C52 H52 0.9300 . ? C52 C53 1.42(3) . ? C53 H53 0.9300 . ? C53 C54 1.40(3) . ? P7 C55 1.825(19) . ? P7 C61 1.858(18) . ? P7 C67 1.83(2) . ? C54 H54 0.9300 . ? C55 C56 1.30(3) . ? C55 C60 1.37(3) . ? C56 H56 0.9300 . ? C56 C57 1.39(3) . ? C57 H57 0.9300 . ? C57 C58 1.39(3) . ? C58 H58 0.9300 . ? C58 C59 1.43(3) . ? C59 H59 0.9300 . ? C59 C60 1.35(3) . ? C60 H60 0.9300 . ? C61 C62 1.40(2) . ? C61 C66 1.38(2) . ? C62 H62 0.9300 . ? C62 C63 1.37(3) . ? C63 H63 0.9300 . ? C63 C64 1.35(3) . ? C64 H64 0.9300 . ? C64 C65 1.38(3) . ? C65 H65 0.9300 . ? C65 C66 1.37(3) . ? C66 H66 0.9300 . ? C67 C68 1.42(3) . ? C67 C72 1.36(3) . ? C68 H68 0.9300 . ? C68 C69 1.40(3) . ? C69 H69 0.9300 . ? C69 C70 1.38(3) . ? C70 H70 0.9300 . ? C70 C71 1.42(4) . ? C71 H71 0.9300 . ? C71 C72 1.36(3) . ? P8 C73 1.792(19) . ? P8 C79 1.851(19) . ? P8 C85 1.836(18) . ? C72 H72 0.9300 . ? C73 C74 1.41(3) . ? C73 C78 1.35(2) . ? C74 H74 0.9300 . ? C74 C75 1.42(3) . ? C75 H75 0.9300 . ? C75 C76 1.38(3) . ? C76 H76 0.9300 . ? C76 C77 1.39(3) . ? C77 H77 0.9300 . ? C77 C78 1.40(3) . ? C78 H78 0.9300 . ? C79 C80 1.40(3) . ? C79 C84 1.38(3) . ? C80 H80 0.9300 . ? C80 C81 1.37(3) . ? C81 H81 0.9300 . ? C81 C82 1.44(3) . ? C82 H82 0.9300 . ? C82 C83 1.36(3) . ? C83 H83 0.9300 . ? C83 C84 1.42(3) . ? C84 H84 0.9300 . ? C85 C86 1.34(3) . ? C85 C90 1.39(3) . ? C86 H86 0.9300 . ? C86 C87 1.43(3) . ? C87 H87 0.9300 . ? C87 C88 1.35(3) . ? C88 H88 0.9300 . ? C88 C89 1.34(3) . ? C89 H89 0.9300 . ? C89 C90 1.40(3) . ? P9 C91 1.82(2) . ? P9 C97 1.81(2) . ? P9 C103 1.810(19) . ? C90 H90 0.9300 . ? C91 C92 1.41(3) . ? C91 C96 1.41(3) . ? C92 H92 0.9300 . ? C92 C93 1.48(4) . ? C93 H93 0.9300 . ? C93 C94 1.38(4) . ? C94 H94 0.9300 . ? C94 C95 1.38(4) . ? C95 H95 0.9300 . ? C95 C96 1.39(4) . ? C96 H96 0.9300 . ? C97 C98 1.33(3) . ? C97 C102 1.42(3) . ? C98 H98 0.9300 . ? C98 C99 1.40(3) . ? C99 H99 0.9300 . ? C99 C100 1.36(3) . ? C100 H100 0.9300 . ? C100 C101 1.36(4) . ? C101 H101 0.9300 . ? C101 C102 1.35(3) . ? C102 H102 0.9300 . ? C103 C104 1.38(3) . ? C103 C108 1.41(3) . ? C104 H104 0.9300 . ? C104 C105 1.39(3) . ? C105 H105 0.9300 . ? C105 C106 1.42(3) . ? C106 H106 0.9300 . ? C106 C107 1.35(3) . ? C107 H107 0.9300 . ? C107 C108 1.42(3) . ? P10 C109 1.82(2) . ? P10 C115 1.842(17) . ? P10 C121 1.823(18) . ? C108 H108 0.9300 . ? C109 C110 1.35(2) . ? C109 C114 1.38(3) . ? C110 H110 0.9300 . ? C110 C111 1.36(3) . ? C111 H111 0.9300 . ? C111 C112 1.36(3) . ? C112 H112 0.9300 . ? C112 C113 1.41(3) . ? C113 H113 0.9300 . ? C113 C114 1.35(3) . ? C114 H114 0.9300 . ? C115 C116 1.37(2) . ? C115 C120 1.37(2) . ? C116 H116 0.9300 . ? C116 C117 1.41(3) . ? C117 H117 0.9300 . ? C117 C118 1.36(3) . ? C118 H118 0.9300 . ? C118 C119 1.39(3) . ? C119 H119 0.9300 . ? C119 C120 1.38(3) . ? C120 H120 0.9300 . ? C121 C122 1.31(3) . ? C121 C126 1.40(3) . ? C122 H122 0.9300 . ? C122 C123 1.36(4) . ? C123 H123 0.9300 . ? C123 C124 1.38(4) . ? C124 H124 0.9300 . ? C124 C125 1.43(4) . ? C125 H125 0.9300 . ? C125 C126 1.35(3) . ? P11 C127 1.87(2) . ? P11 C133 1.807(18) . ? P11 C139 1.818(18) . ? C126 H126 0.9300 . ? C127 C128 1.39(3) . ? C127 C132 1.34(3) . ? C128 H128 0.9300 . ? C128 C129 1.41(3) . ? C129 H129 0.9300 . ? C129 C130 1.35(3) . ? C130 H130 0.9300 . ? C130 C131 1.40(3) . ? C131 H131 0.9300 . ? C131 C132 1.39(3) . ? C132 H132 0.9300 . ? C133 C134 1.41(3) . ? C133 C138 1.37(3) . ? C134 H134 0.9300 . ? C134 C135 1.45(3) . ? C135 H135 0.9300 . ? C135 C136 1.38(3) . ? C136 H136 0.9300 . ? C136 C137 1.40(3) . ? C137 H137 0.9300 . ? C137 C138 1.37(3) . ? C138 H138 0.9300 . ? C139 C140 1.38(2) . ? C139 C144 1.39(3) . ? C140 H140 0.9300 . ? C140 C141 1.36(3) . ? C141 H141 0.9300 . ? C141 C142 1.36(3) . ? C142 H142 0.9300 . ? C142 C143 1.37(3) . ? C143 H143 0.9300 . ? C143 C144 1.39(3) . ? C144 H144 0.9300 . ? C500 H50A 0.9700 . ? C500 H50B 0.9700 . ? C500 Cl50 1.59(5) . ? C500 Cl51 1.53(5) . ? 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 Au2 Au1 Au3 64.27(3) . . ? Au2 Au1 Au4 63.99(3) . . ? Au3 Au1 Au4 62.91(3) . . ? Au5 Au1 Au2 68.15(3) . . ? Au5 Au1 Au3 120.02(3) . . ? Au5 Au1 Au4 64.62(3) . . ? Au6 Au1 Au2 67.02(3) . . ? Au6 Au1 Au3 120.82(3) . . ? Au6 Au1 Au4 119.77(3) . . ? Au6 Au1 Au5 66.17(3) . . ? Au6 Au1 Au7 67.64(3) . . ? Au7 Au1 Au2 67.93(3) . . ? Au7 Au1 Au3 64.38(3) . . ? Au7 Au1 Au4 119.49(3) . . ? Au7 Au1 Au5 125.26(3) . . ? Au8 Au1 Au2 130.58(3) . . ? Au8 Au1 Au3 111.11(3) . . ? Au8 Au1 Au4 162.08(3) . . ? Au8 Au1 Au5 127.35(3) . . ? Au8 Au1 Au6 78.06(3) . . ? Au8 Au1 Au7 66.94(3) . . ? Au8 Au1 Au10 105.15(3) . . ? Au8 Au1 Au11 65.82(3) . . ? Au9 Au1 Au2 129.44(3) . . ? Au9 Au1 Au3 65.30(3) . . ? Au9 Au1 Au4 90.12(3) . . ? Au9 Au1 Au5 140.24(3) . . ? Au9 Au1 Au6 149.51(4) . . ? Au9 Au1 Au7 93.45(3) . . ? Au9 Au1 Au8 72.41(3) . . ? Au9 Au1 Au10 69.79(3) . . ? Au9 Au1 Au11 103.95(3) . . ? Au10 Au1 Au2 123.53(3) . . ? Au10 Au1 Au3 107.66(3) . . ? Au10 Au1 Au4 63.75(3) . . ? Au10 Au1 Au5 71.49(3) . . ? Au10 Au1 Au6 126.70(3) . . ? Au10 Au1 Au7 163.19(3) . . ? Au10 Au1 Au11 64.43(3) . . ? Au11 Au1 Au2 126.20(3) . . ? Au11 Au1 Au3 168.94(3) . . ? Au11 Au1 Au4 116.50(3) . . ? Au11 Au1 Au5 66.13(3) . . ? Au11 Au1 Au6 69.64(3) . . ? Au11 Au1 Au7 120.91(3) . . ? Au1 Au2 Au3 58.07(2) . . ? Au1 Au2 Au4 58.41(2) . . ? Au1 Au2 Au5 55.91(2) . . ? Au1 Au2 Au6 56.24(2) . . ? Au1 Au2 Au7 56.00(2) . . ? Au3 Au2 Au5 105.07(3) . . ? Au3 Au2 Au6 106.63(3) . . ? Au3 Au2 Au7 58.49(2) . . ? Au4 Au2 Au3 59.09(2) . . ? Au4 Au2 Au5 58.79(2) . . ? Au4 Au2 Au6 106.29(3) . . ? Au4 Au2 Au7 105.32(3) . . ? Au6 Au2 Au5 58.67(2) . . ? Au6 Au2 Au7 60.03(2) . . ? Au7 Au2 Au5 105.01(3) . . ? P2 Au2 Au1 176.14(13) . . ? P2 Au2 Au3 122.63(12) . . ? P2 Au2 Au4 118.25(13) . . ? P2 Au2 Au5 121.12(12) . . ? P2 Au2 Au6 125.20(12) . . ? P2 Au2 Au7 127.83(13) . . ? Au1 Au3 Au2 57.66(2) . . ? Au1 Au3 Au4 58.74(2) . . ? Au1 Au3 Au7 57.57(2) . . ? Au1 Au3 Au9 56.08(2) . . ? Au2 Au3 Au7 63.13(2) . . ? Au2 Au3 Au9 113.65(3) . . ? Au4 Au3 Au2 60.36(2) . . ? Au4 Au3 Au7 109.94(3) . . ? Au4 Au3 Au9 83.06(3) . . ? Au7 Au3 Au9 84.65(3) . . ? Cl3 Au3 Au1 178.19(14) . . ? Cl3 Au3 Au2 120.73(14) . . ? Cl3 Au3 Au4 121.54(16) . . ? Cl3 Au3 Au7 121.25(15) . . ? Cl3 Au3 Au9 125.58(14) . . ? Au1 Au4 Au2 57.61(2) . . ? Au1 Au4 Au3 58.35(2) . . ? Au1 Au4 Au5 57.28(2) . . ? Au1 Au4 Au10 57.28(2) . . ? Au2 Au4 Au5 63.21(2) . . ? Au3 Au4 Au2 60.55(2) . . ? Au3 Au4 Au5 109.62(3) . . ? Au3 Au4 Au10 99.74(3) . . ? Au10 Au4 Au2 111.60(3) . . ? Au10 Au4 Au5 66.18(2) . . ? P4 Au4 Au1 171.57(12) . . ? P4 Au4 Au2 130.80(12) . . ? P4 Au4 Au3 123.20(12) . . ? P4 Au4 Au5 124.79(12) . . ? P4 Au4 Au10 115.09(11) . . ? Au1 Au5 Au2 55.94(2) . . ? Au1 Au5 Au4 58.10(2) . . ? Au1 Au5 Au6 56.68(2) . . ? Au1 Au5 Au10 53.88(2) . . ? Au1 Au5 Au11 56.67(2) . . ? Au2 Au5 Au10 100.35(3) . . ? Au4 Au5 Au2 57.99(2) . . ? Au4 Au5 Au6 106.54(3) . . ? Au4 Au5 Au10 56.18(2) . . ? Au4 Au5 Au11 103.99(3) . . ? Au6 Au5 Au2 59.78(2) . . ? Au6 Au5 Au10 103.94(3) . . ? Au11 Au5 Au2 107.26(3) . . ? Au11 Au5 Au6 62.89(2) . . ? Au11 Au5 Au10 55.95(2) . . ? Cl5 Au5 Au1 178.94(13) . . ? Cl5 Au5 Au2 125.12(12) . . ? Cl5 Au5 Au4 122.23(14) . . ? Cl5 Au5 Au6 123.64(14) . . ? Cl5 Au5 Au10 125.30(13) . . ? Cl5 Au5 Au11 122.41(12) . . ? Au1 Au6 Au2 56.74(2) . . ? Au1 Au6 Au5 57.16(2) . . ? Au1 Au6 Au7 56.39(2) . . ? Au1 Au6 Au8 50.43(2) . . ? Au1 Au6 Au11 55.16(2) . . ? Au2 Au6 Au7 60.70(2) . . ? Au2 Au6 Au8 100.02(3) . . ? Au2 Au6 Au11 105.32(3) . . ? Au5 Au6 Au2 61.55(2) . . ? Au5 Au6 Au7 107.72(3) . . ? Au5 Au6 Au8 98.86(3) . . ? Au5 Au6 Au11 58.52(2) . . ? Au7 Au6 Au8 54.92(2) . . ? Au7 Au6 Au11 101.13(3) . . ? Au11 Au6 Au8 53.36(2) . . ? P6 Au6 Au1 175.04(14) . . ? P6 Au6 Au2 121.31(13) . . ? P6 Au6 Au5 117.92(13) . . ? P6 Au6 Au7 127.50(13) . . ? P6 Au6 Au8 133.69(14) . . ? P6 Au6 Au11 123.76(12) . . ? Au1 Au7 Au2 56.06(2) . . ? Au1 Au7 Au3 58.05(2) . . ? Au1 Au7 Au6 55.96(2) . . ? Au1 Au7 Au8 55.65(2) . . ? Au3 Au7 Au2 58.38(2) . . ? Au3 Au7 Au6 105.93(3) . . ? Au3 Au7 Au8 98.54(3) . . ? Au6 Au7 Au2 59.27(2) . . ? Au8 Au7 Au2 109.01(3) . . ? Au8 Au7 Au6 68.75(2) . . ? P7 Au7 Au1 166.70(13) . . ? P7 Au7 Au2 123.43(13) . . ? P7 Au7 Au3 109.45(13) . . ? P7 Au7 Au6 136.83(12) . . ? P7 Au7 Au8 127.52(13) . . ? Au1 Au8 Au6 51.51(2) . . ? Au1 Au8 Au7 57.41(2) . . ? Au1 Au8 Au9 53.69(2) . . ? Au1 Au8 Au11 57.74(2) . . ? Au7 Au8 Au6 56.33(2) . . ? Au7 Au8 Au9 79.59(3) . . ? Au9 Au8 Au6 104.86(3) . . ? Au11 Au8 Au6 58.18(2) . . ? Au11 Au8 Au7 106.55(3) . . ? Au11 Au8 Au9 88.27(3) . . ? P8 Au8 Au1 178.20(13) . . ? P8 Au8 Au6 127.49(13) . . ? P8 Au8 Au7 123.67(13) . . ? P8 Au8 Au9 127.47(13) . . ? P8 Au8 Au11 120.53(13) . . ? Au1 Au9 Au3 58.62(2) . . ? Au1 Au9 Au8 53.91(2) . . ? Au1 Au9 Au10 55.69(2) . . ? Au3 Au9 Au8 94.64(3) . . ? Au3 Au9 Au10 94.41(3) . . ? Au10 Au9 Au8 86.61(3) . . ? P9 Au9 Au1 175.80(14) . . ? P9 Au9 Au3 117.36(14) . . ? P9 Au9 Au8 127.23(15) . . ? P9 Au9 Au10 127.41(13) . . ? Au1 Au10 Au4 58.97(2) . . ? Au1 Au10 Au5 54.63(2) . . ? Au1 Au10 Au9 54.52(2) . . ? Au1 Au10 Au11 57.94(2) . . ? Au4 Au10 Au5 57.64(2) . . ? Au4 Au10 Au9 80.17(3) . . ? Au4 Au10 Au11 107.36(3) . . ? Au9 Au10 Au5 108.63(3) . . ? Au11 Au10 Au5 58.43(2) . . ? Au11 Au10 Au9 90.58(3) . . ? P10 Au10 Au1 174.64(12) . . ? P10 Au10 Au4 122.50(13) . . ? P10 Au10 Au5 121.05(13) . . ? P10 Au10 Au9 130.16(13) . . ? P10 Au10 Au11 117.60(12) . . ? Au1 Au11 Au5 57.20(2) . . ? Au1 Au11 Au6 55.20(2) . . ? Au1 Au11 Au8 56.43(2) . . ? Au1 Au11 Au10 57.63(2) . . ? Au5 Au11 Au6 58.59(2) . . ? Au8 Au11 Au5 110.42(3) . . ? Au8 Au11 Au6 68.46(2) . . ? Au10 Au11 Au5 65.62(3) . . ? Au10 Au11 Au6 107.92(3) . . ? Au10 Au11 Au8 94.51(3) . . ? P11 Au11 Au1 177.27(13) . . ? P11 Au11 Au5 124.96(13) . . ? P11 Au11 Au6 127.02(13) . . ? P11 Au11 Au8 122.14(13) . . ? P11 Au11 Au10 121.09(13) . . ? C1 P2 Au2 111.6(6) . . ? C7 P2 Au2 113.8(6) . . ? C7 P2 C1 106.3(8) . . ? C7 P2 C13 103.2(9) . . ? C13 P2 Au2 116.7(6) . . ? C13 P2 C1 104.2(8) . . ? C2 C1 P2 118.5(14) . . ? C2 C1 C6 119.7(18) . . ? C6 C1 P2 121.8(16) . . ? C1 C2 H2 119.7 . . ? C1 C2 C3 120.7(19) . . ? C3 C2 H2 119.7 . . ? C2 C3 H3 120.0 . . ? C4 C3 C2 120(2) . . ? C4 C3 H3 120.0 . . ? C3 C4 H4 120.2 . . ? C5 C4 C3 119.5(19) . . ? C5 C4 H4 120.2 . . ? C4 C5 H5 119.3 . . ? C4 C5 C6 121.4(19) . . ? C6 C5 H5 119.3 . . ? C1 C6 C5 118.6(19) . . ? C1 C6 H6 120.7 . . ? C5 C6 H6 120.7 . . ? C8 C7 P2 122.8(14) . . ? C12 C7 P2 118.2(14) . . ? C12 C7 C8 119.0(18) . . ? C7 C8 H8 118.4 . . ? C9 C8 C7 123.2(18) . . ? C9 C8 H8 118.4 . . ? C8 C9 H9 121.5 . . ? C8 C9 C10 117.1(18) . . ? C10 C9 H9 121.5 . . ? C9 C10 H10 120.0 . . ? C11 C10 C9 120.0(18) . . ? C11 C10 H10 120.0 . . ? C10 C11 H11 119.6 . . ? C10 C11 C12 120.8(19) . . ? C12 C11 H11 119.6 . . ? C7 C12 C11 119.7(19) . . ? C7 C12 H12 120.1 . . ? C11 C12 H12 120.2 . . ? C14 C13 P2 117.9(14) . . ? C14 C13 C18 120.1(17) . . ? C18 C13 P2 122.0(14) . . ? C13 C14 H14 120.5 . . ? C13 C14 C15 118.9(19) . . ? C15 C14 H14 120.5 . . ? C14 C15 H15 119.1 . . ? C14 C15 C16 122(2) . . ? C16 C15 H15 119.2 . . ? C15 C16 H16 120.4 . . ? C17 C16 C15 119.1(19) . . ? C17 C16 H16 120.5 . . ? C16 C17 H17 120.5 . . ? C16 C17 C18 118.9(18) . . ? C18 C17 H17 120.6 . . ? C13 C18 C17 120.7(17) . . ? C13 C18 H18 119.7 . . ? C17 C18 H18 119.6 . . ? C19 P4 Au4 109.7(6) . . ? C19 P4 C25 102.9(7) . . ? C19 P4 C31 110.7(8) . . ? C25 P4 Au4 117.4(6) . . ? C31 P4 Au4 113.3(7) . . ? C31 P4 C25 102.1(9) . . ? C20 C19 P4 122.6(14) . . ? C20 C19 C24 116.1(17) . . ? C24 C19 P4 121.3(14) . . ? C19 C20 H20 118.0 . . ? C19 C20 C21 124(2) . . ? C21 C20 H20 118.1 . . ? C20 C21 H21 121.2 . . ? C22 C21 C20 118(2) . . ? C22 C21 H21 121.2 . . ? C21 C22 H22 118.8 . . ? C21 C22 C23 122(2) . . ? C23 C22 H22 118.8 . . ? C22 C23 H23 119.8 . . ? C22 C23 C24 120(2) . . ? C24 C23 H23 119.8 . . ? C19 C24 H24 120.3 . . ? C23 C24 C19 119.4(19) . . ? C23 C24 H24 120.3 . . ? C26 C25 P4 116.8(13) . . ? C30 C25 P4 121.4(14) . . ? C30 C25 C26 121.8(17) . . ? C25 C26 H26 121.7 . . ? C25 C26 C27 116.5(18) . . ? C27 C26 H26 121.7 . . ? C26 C27 H27 119.0 . . ? C28 C27 C26 122(2) . . ? C28 C27 H27 119.0 . . ? C27 C28 H28 119.9 . . ? C27 C28 C29 120(2) . . ? C29 C28 H28 119.9 . . ? C28 C29 H29 119.5 . . ? C28 C29 C30 121(2) . . ? C30 C29 H29 119.5 . . ? C25 C30 C29 119(2) . . ? C25 C30 H30 120.7 . . ? C29 C30 H30 120.7 . . ? C32 C31 P4 125.6(16) . . ? C32 C31 C36 116.9(19) . . ? C36 C31 P4 117.0(14) . . ? C31 C32 H32 118.8 . . ? C31 C32 C33 122(2) . . ? C33 C32 H32 118.8 . . ? C32 C33 H33 120.6 . . ? C34 C33 C32 119(2) . . ? C34 C33 H33 120.7 . . ? C33 C34 H34 119.5 . . ? C35 C34 C33 121(2) . . ? C35 C34 H34 119.5 . . ? C34 C35 H35 121.0 . . ? C36 C35 C34 118(2) . . ? C36 C35 H35 121.0 . . ? C31 C36 H36 118.6 . . ? C35 C36 C31 123(2) . . ? C35 C36 H36 118.6 . . ? C37 P6 Au6 114.3(6) . . ? C37 P6 C43 101.2(9) . . ? C43 P6 Au6 115.6(6) . . ? C49 P6 Au6 114.2(7) . . ? C49 P6 C37 105.5(8) . . ? C49 P6 C43 104.6(10) . . ? C38 C37 P6 120.3(14) . . ? C38 C37 C42 116.0(18) . . ? C42 C37 P6 123.6(16) . . ? C37 C38 H38 118.2 . . ? C37 C38 C39 123.6(18) . . ? C39 C38 H38 118.2 . . ? C38 C39 H39 120.7 . . ? C40 C39 C38 119(2) . . ? C40 C39 H39 120.7 . . ? C39 C40 H40 120.3 . . ? C39 C40 C41 119(2) . . ? C41 C40 H40 120.3 . . ? C40 C41 H41 121.2 . . ? C40 C41 C42 117.7(18) . . ? C42 C41 H41 121.2 . . ? C37 C42 C41 124(2) . . ? C37 C42 H42 117.8 . . ? C41 C42 H42 117.8 . . ? C44 C43 P6 125.6(16) . . ? C44 C43 C48 120.4(18) . . ? C48 C43 P6 113.6(17) . . ? C43 C44 H44 118.6 . . ? C43 C44 C45 123(2) . . ? C45 C44 H44 118.5 . . ? C44 C45 H45 121.6 . . ? C44 C45 C46 117(2) . . ? C46 C45 H45 121.6 . . ? C45 C46 H46 119.2 . . ? C47 C46 C45 122(2) . . ? C47 C46 H46 119.2 . . ? C46 C47 H47 119.9 . . ? C46 C47 C48 120(2) . . ? C48 C47 H47 119.8 . . ? C43 C48 H48 121.1 . . ? C47 C48 C43 118(2) . . ? C47 C48 H48 121.1 . . ? C50 C49 P6 124.2(16) . . ? C50 C49 C54 116.6(18) . . ? C54 C49 P6 119.1(14) . . ? C49 C50 H50 117.9 . . ? C49 C50 C51 124(2) . . ? C51 C50 H50 118.0 . . ? C50 C51 H51 121.2 . . ? C52 C51 C50 118(2) . . ? C52 C51 H51 121.2 . . ? C51 C52 H52 118.8 . . ? C51 C52 C53 122(2) . . ? C53 C52 H52 118.8 . . ? C52 C53 H53 120.9 . . ? C54 C53 C52 118(2) . . ? C54 C53 H53 121.0 . . ? C55 P7 Au7 113.6(6) . . ? C55 P7 C61 102.9(8) . . ? C55 P7 C67 108.2(9) . . ? C61 P7 Au7 112.5(6) . . ? C67 P7 Au7 117.6(6) . . ? C67 P7 C61 100.3(8) . . ? C49 C54 H54 119.5 . . ? C53 C54 C49 120.9(19) . . ? C53 C54 H54 119.5 . . ? C56 C55 P7 118.6(14) . . ? C56 C55 C60 118.4(19) . . ? C60 C55 P7 122.7(17) . . ? C55 C56 H56 116.9 . . ? C55 C56 C57 126(2) . . ? C57 C56 H56 116.9 . . ? C56 C57 H57 122.4 . . ? C58 C57 C56 115(2) . . ? C58 C57 H57 122.3 . . ? C57 C58 H58 120.5 . . ? C57 C58 C59 119.1(19) . . ? C59 C58 H58 120.4 . . ? C58 C59 H59 119.9 . . ? C60 C59 C58 120(2) . . ? C60 C59 H59 119.8 . . ? C55 C60 H60 119.8 . . ? C59 C60 C55 120(2) . . ? C59 C60 H60 119.9 . . ? C62 C61 P7 119.5(13) . . ? C66 C61 P7 119.9(14) . . ? C66 C61 C62 120.6(17) . . ? C61 C62 H62 121.0 . . ? C63 C62 C61 118.0(18) . . ? C63 C62 H62 121.0 . . ? C62 C63 H63 119.1 . . ? C64 C63 C62 122(2) . . ? C64 C63 H63 119.0 . . ? C63 C64 H64 120.0 . . ? C63 C64 C65 120(2) . . ? C65 C64 H64 120.0 . . ? C64 C65 H65 119.8 . . ? C66 C65 C64 120(2) . . ? C66 C65 H65 119.8 . . ? C61 C66 H66 120.6 . . ? C65 C66 C61 118.8(19) . . ? C65 C66 H66 120.6 . . ? C68 C67 P7 116.8(14) . . ? C72 C67 P7 122.0(17) . . ? C72 C67 C68 121(2) . . ? C67 C68 H68 121.1 . . ? C69 C68 C67 118(2) . . ? C69 C68 H68 121.1 . . ? C68 C69 H69 120.2 . . ? C70 C69 C68 120(2) . . ? C70 C69 H69 120.2 . . ? C69 C70 H70 119.3 . . ? C69 C70 C71 121(2) . . ? C71 C70 H70 119.2 . . ? C70 C71 H71 121.0 . . ? C72 C71 C70 118(2) . . ? C72 C71 H71 121.0 . . ? C73 P8 Au8 116.1(6) . . ? C73 P8 C79 101.8(8) . . ? C73 P8 C85 101.0(8) . . ? C79 P8 Au8 114.8(7) . . ? C85 P8 Au8 114.5(6) . . ? C85 P8 C79 107.0(8) . . ? C67 C72 H72 119.2 . . ? C71 C72 C67 122(2) . . ? C71 C72 H72 119.2 . . ? C74 C73 P8 118.6(15) . . ? C78 C73 P8 125.4(15) . . ? C78 C73 C74 115.7(19) . . ? C73 C74 H74 118.9 . . ? C73 C74 C75 122(2) . . ? C75 C74 H74 118.9 . . ? C74 C75 H75 119.5 . . ? C76 C75 C74 121(2) . . ? C76 C75 H75 119.4 . . ? C75 C76 H76 122.5 . . ? C75 C76 C77 115(2) . . ? C77 C76 H76 122.4 . . ? C76 C77 H77 118.3 . . ? C76 C77 C78 123(2) . . ? C78 C77 H77 118.3 . . ? C73 C78 C77 122(2) . . ? C73 C78 H78 118.9 . . ? C77 C78 H78 118.9 . . ? C80 C79 P8 115.8(15) . . ? C84 C79 P8 123.2(15) . . ? C84 C79 C80 121.0(18) . . ? C79 C80 H80 120.1 . . ? C81 C80 C79 120(2) . . ? C81 C80 H80 120.1 . . ? C80 C81 H81 120.4 . . ? C80 C81 C82 119(2) . . ? C82 C81 H81 120.4 . . ? C81 C82 H82 119.2 . . ? C83 C82 C81 122(2) . . ? C83 C82 H82 119.1 . . ? C82 C83 H83 121.0 . . ? C82 C83 C84 118(2) . . ? C84 C83 H83 121.0 . . ? C79 C84 C83 120(2) . . ? C79 C84 H84 119.9 . . ? C83 C84 H84 119.9 . . ? C86 C85 P8 123.0(15) . . ? C86 C85 C90 119.9(18) . . ? C90 C85 P8 116.7(14) . . ? C85 C86 H86 119.8 . . ? C85 C86 C87 120(2) . . ? C87 C86 H86 119.8 . . ? C86 C87 H87 120.6 . . ? C88 C87 C86 119(2) . . ? C88 C87 H87 120.6 . . ? C87 C88 H88 119.6 . . ? C89 C88 C87 121(2) . . ? C89 C88 H88 119.5 . . ? C88 C89 H89 119.4 . . ? C88 C89 C90 121(2) . . ? C90 C89 H89 119.3 . . ? C91 P9 Au9 114.2(7) . . ? C97 P9 Au9 115.9(7) . . ? C97 P9 C91 103.7(11) . . ? C103 P9 Au9 114.3(6) . . ? C103 P9 C91 105.4(10) . . ? C103 P9 C97 101.8(9) . . ? C85 C90 C89 119(2) . . ? C85 C90 H90 120.6 . . ? C89 C90 H90 120.6 . . ? C92 C91 P9 119.7(19) . . ? C92 C91 C96 121(2) . . ? C96 C91 P9 119.6(19) . . ? C91 C92 H92 121.2 . . ? C91 C92 C93 118(3) . . ? C93 C92 H92 121.2 . . ? C92 C93 H93 120.8 . . ? C94 C93 C92 118(3) . . ? C94 C93 H93 120.8 . . ? C93 C94 H94 118.9 . . ? C95 C94 C93 122(3) . . ? C95 C94 H94 118.8 . . ? C94 C95 H95 120.0 . . ? C94 C95 C96 120(3) . . ? C96 C95 H95 120.0 . . ? C91 C96 H96 119.8 . . ? C95 C96 C91 120(3) . . ? C95 C96 H96 119.8 . . ? C98 C97 P9 117.4(18) . . ? C98 C97 C102 117(2) . . ? C102 C97 P9 124.9(19) . . ? C97 C98 H98 117.8 . . ? C97 C98 C99 124(2) . . ? C99 C98 H98 117.8 . . ? C98 C99 H99 122.1 . . ? C100 C99 C98 116(3) . . ? C100 C99 H99 122.0 . . ? C99 C100 H100 118.7 . . ? C101 C100 C99 123(3) . . ? C101 C100 H100 118.7 . . ? C100 C101 H101 119.9 . . ? C102 C101 C100 120(2) . . ? C102 C101 H101 119.9 . . ? C97 C102 H102 120.1 . . ? C101 C102 C97 120(2) . . ? C101 C102 H102 120.1 . . ? C104 C103 P9 119.3(14) . . ? C104 C103 C108 119.9(18) . . ? C108 C103 P9 120.9(15) . . ? C103 C104 H104 119.6 . . ? C103 C104 C105 120.9(18) . . ? C105 C104 H104 119.5 . . ? C104 C105 H105 120.2 . . ? C104 C105 C106 120(2) . . ? C106 C105 H105 120.2 . . ? C105 C106 H106 120.2 . . ? C107 C106 C105 120(2) . . ? C107 C106 H106 120.2 . . ? C106 C107 H107 119.3 . . ? C106 C107 C108 121.5(19) . . ? C108 C107 H107 119.2 . . ? C109 P10 Au10 116.3(6) . . ? C109 P10 C115 103.6(8) . . ? C109 P10 C121 103.5(9) . . ? C115 P10 Au10 112.3(6) . . ? C121 P10 Au10 112.8(7) . . ? C121 P10 C115 107.4(8) . . ? C103 C108 C107 118.4(19) . . ? C103 C108 H108 120.8 . . ? C107 C108 H108 120.8 . . ? C110 C109 P10 119.0(16) . . ? C110 C109 C114 117(2) . . ? C114 C109 P10 123.6(15) . . ? C109 C110 H110 119.5 . . ? C109 C110 C111 121(2) . . ? C111 C110 H110 119.5 . . ? C110 C111 H111 118.7 . . ? C110 C111 C112 123(2) . . ? C112 C111 H111 118.7 . . ? C111 C112 H112 121.4 . . ? C111 C112 C113 117(2) . . ? C113 C112 H112 121.3 . . ? C112 C113 H113 120.6 . . ? C114 C113 C112 119(2) . . ? C114 C113 H113 120.6 . . ? C109 C114 H114 118.3 . . ? C113 C114 C109 123(2) . . ? C113 C114 H114 118.3 . . ? C116 C115 P10 121.0(14) . . ? C120 C115 P10 118.3(14) . . ? C120 C115 C116 120.5(17) . . ? C115 C116 H116 119.6 . . ? C115 C116 C117 120.8(18) . . ? C117 C116 H116 119.6 . . ? C116 C117 H117 120.9 . . ? C118 C117 C116 118.3(19) . . ? C118 C117 H117 120.9 . . ? C117 C118 H118 119.6 . . ? C117 C118 C119 121(2) . . ? C119 C118 H118 119.7 . . ? C118 C119 H119 119.8 . . ? C120 C119 C118 120(2) . . ? C120 C119 H119 119.8 . . ? C115 C120 C119 119.3(19) . . ? C115 C120 H120 120.3 . . ? C119 C120 H120 120.4 . . ? C122 C121 P10 116.7(16) . . ? C122 C121 C126 122.1(19) . . ? C126 C121 P10 121.1(16) . . ? C121 C122 H122 118.8 . . ? C121 C122 C123 122(2) . . ? C123 C122 H122 118.8 . . ? C122 C123 H123 121.7 . . ? C122 C123 C124 117(3) . . ? C124 C123 H123 121.5 . . ? C123 C124 H124 119.1 . . ? C123 C124 C125 122(3) . . ? C125 C124 H124 118.9 . . ? C124 C125 H125 121.4 . . ? C126 C125 C124 117(3) . . ? C126 C125 H125 121.3 . . ? C127 P11 Au11 116.5(6) . . ? C133 P11 Au11 116.3(7) . . ? C133 P11 C127 105.9(9) . . ? C133 P11 C139 102.1(9) . . ? C139 P11 Au11 112.5(6) . . ? C139 P11 C127 101.7(9) . . ? C121 C126 H126 120.3 . . ? C125 C126 C121 119(2) . . ? C125 C126 H126 120.4 . . ? C128 C127 P11 116.3(15) . . ? C132 C127 P11 121.9(17) . . ? C132 C127 C128 122(2) . . ? C127 C128 H128 121.0 . . ? C127 C128 C129 118(2) . . ? C129 C128 H128 120.9 . . ? C128 C129 H129 119.4 . . ? C130 C129 C128 121(2) . . ? C130 C129 H129 119.4 . . ? C129 C130 H130 120.7 . . ? C129 C130 C131 119(2) . . ? C131 C130 H130 120.7 . . ? C130 C131 H131 119.6 . . ? C132 C131 C130 121(2) . . ? C132 C131 H131 119.6 . . ? C127 C132 C131 119(2) . . ? C127 C132 H132 120.4 . . ? C131 C132 H132 120.4 . . ? C134 C133 P11 115.6(14) . . ? C138 C133 P11 124.9(17) . . ? C138 C133 C134 119.4(18) . . ? C133 C134 H134 121.1 . . ? C133 C134 C135 117.9(17) . . ? C135 C134 H134 121.0 . . ? C134 C135 H135 119.3 . . ? C136 C135 C134 121(2) . . ? C136 C135 H135 119.4 . . ? C135 C136 H136 121.1 . . ? C135 C136 C137 118(2) . . ? C137 C136 H136 121.1 . . ? C136 C137 H137 119.0 . . ? C138 C137 C136 122(2) . . ? C138 C137 H137 118.9 . . ? C133 C138 H138 119.4 . . ? C137 C138 C133 121(2) . . ? C137 C138 H138 119.3 . . ? C140 C139 P11 119.8(15) . . ? C140 C139 C144 119.7(17) . . ? C144 C139 P11 120.3(14) . . ? C139 C140 H140 120.3 . . ? C141 C140 C139 119.4(18) . . ? C141 C140 H140 120.3 . . ? C140 C141 H141 119.3 . . ? C140 C141 C142 121.3(19) . . ? C142 C141 H141 119.4 . . ? C141 C142 H142 119.7 . . ? C141 C142 C143 121(2) . . ? C143 C142 H142 119.7 . . ? C142 C143 H143 120.4 . . ? C142 C143 C144 119.2(19) . . ? C144 C143 H143 120.4 . . ? C139 C144 H144 120.1 . . ? C143 C144 C139 119.8(18) . . ? C143 C144 H144 120.1 . . ? H50A C500 H50B 106.8 . . ? Cl50 C500 H50A 107.2 . . ? Cl50 C500 H50B 107.0 . . ? Cl51 C500 H50A 107.1 . . ? Cl51 C500 H50B 107.1 . . ? Cl51 C500 Cl50 121(3) . . ?