# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2011 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_email wwyam@hku.hk _publ_contact_author_name 'Yam, Vivian' loop_ _publ_author_name 'Xiaoming He' 'Nianyong Zhu' 'Vivian Yam' data_shelxl _database_code_depnum_ccdc_archive 'CCDC 811061' #TrackingRef '- wt1954.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C181 H146 Au6 Cu2 F12 N12 O9 P8' _chemical_formula_sum 'C181 H146 Au6 Cu2 F12 N12 O9 P8' _chemical_formula_weight 4417.74 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' Cu Cu 0.3201 1.2651 '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' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 17.0997(19) _cell_length_b 19.025(2) _cell_length_c 30.128(3) _cell_angle_alpha 84.66(2) _cell_angle_beta 85.14(2) _cell_angle_gamma 73.71(2) _cell_volume 9349.4(18) _cell_formula_units_Z 2 _cell_measurement_temperature 301(2) _cell_measurement_reflns_used 0 _cell_measurement_theta_min 0 _cell_measurement_theta_max 0 _exptl_crystal_description prism _exptl_crystal_colour orange _exptl_crystal_size_max 0.4 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.13 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.569 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4296 _exptl_absorpt_coefficient_mu 5.048 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.427933 _exptl_absorpt_correction_T_max 1.000000 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 301(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker Smart CCD 1000' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 55813 _diffrn_reflns_av_R_equivalents 0.0363 _diffrn_reflns_av_sigmaI/netI 0.0869 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_limit_l_max 36 _diffrn_reflns_theta_min 1.51 _diffrn_reflns_theta_max 25.68 _reflns_number_total 34756 _reflns_number_gt 21220 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker XSCANS' _computing_cell_refinement 'Bruker XSCANS' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution SHELXS-97 _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Ortep-3 for Windows (Farrugia, 1997)' _computing_publication_material 'WinGX publication routines (Farrugia, 1999)' _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^)+(0.0780P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 34756 _refine_ls_number_parameters 1765 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0953 _refine_ls_R_factor_gt 0.0553 _refine_ls_wR_factor_ref 0.1641 _refine_ls_wR_factor_gt 0.1476 _refine_ls_goodness_of_fit_ref 1.057 _refine_ls_restrained_S_all 1.057 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.8797(6) 0.2212(6) 0.6954(4) 0.052(3) Uani 1 1 d . . . C2 C 0.9343(7) 0.1956(6) 0.6668(4) 0.060(3) Uani 1 1 d . . . C3 C 1.0022(4) 0.1595(4) 0.6380(2) 0.056(3) Uani 1 1 d G . . C4 C 1.0251(4) 0.1949(3) 0.5987(3) 0.070(4) Uani 1 1 d G . . H4 H 0.9935 0.2413 0.5893 0.084 Uiso 1 1 calc R . . C5 C 1.0952(5) 0.1610(4) 0.5736(2) 0.074(4) Uani 1 1 d G . . H5 H 1.1105 0.1847 0.5472 0.088 Uiso 1 1 calc R . . C6 C 1.1424(4) 0.0916(4) 0.5877(3) 0.062(3) Uani 1 1 d G . . C7 C 1.1195(5) 0.0561(3) 0.6270(3) 0.074(4) Uani 1 1 d G . . H7 H 1.1511 0.0097 0.6365 0.089 Uiso 1 1 calc R . . C8 C 1.0494(5) 0.0901(4) 0.6522(2) 0.073(4) Uani 1 1 d G . . H8 H 1.0341 0.0663 0.6785 0.088 Uiso 1 1 calc R . . C9 C 1.2511(7) 0.0733(6) 0.5242(4) 0.055(3) Uani 1 1 d . . . C10 C 1.3775(5) 0.0240(5) 0.4777(3) 0.073(4) Uani 1 1 d G . . C11 C 1.3788(6) 0.0878(5) 0.4514(4) 0.106(6) Uani 1 1 d G . . H11 H 1.3408 0.1319 0.4575 0.127 Uiso 1 1 calc R . . C12 C 1.4371(8) 0.0855(7) 0.4161(4) 0.158(10) Uani 1 1 d G . . H12 H 1.4380 0.1282 0.3985 0.189 Uiso 1 1 calc R . . C13 C 1.4940(7) 0.0195(9) 0.4070(3) 0.167(11) Uani 1 1 d G . . H13 H 1.5329 0.0180 0.3834 0.200 Uiso 1 1 calc R . . C14 C 1.4926(6) -0.0443(7) 0.4332(4) 0.126(7) Uani 1 1 d G . . H14 H 1.5306 -0.0885 0.4272 0.152 Uiso 1 1 calc R . . C15 C 1.4343(6) -0.0420(5) 0.4686(4) 0.104(6) Uani 1 1 d G . . H15 H 1.4334 -0.0847 0.4861 0.125 Uiso 1 1 calc R . . C16 C 0.7691(6) 0.3296(5) 0.7999(3) 0.047(2) Uani 1 1 d . . . C17 C 0.7480(7) 0.3729(7) 0.8271(4) 0.060(3) Uani 1 1 d . . . C18 C 0.7220(5) 0.4315(5) 0.8586(3) 0.071(3) Uani 1 1 d G . . C19 C 0.7783(4) 0.4533(5) 0.8808(4) 0.096(5) Uani 1 1 d G . . H19 H 0.8335 0.4290 0.8774 0.115 Uiso 1 1 calc R . . C20 C 0.7519(5) 0.5113(5) 0.9082(4) 0.101(5) Uani 1 1 d G . . H20 H 0.7896 0.5259 0.9231 0.122 Uiso 1 1 calc R . . C21 C 0.6693(6) 0.5476(5) 0.9133(4) 0.095(5) Uani 1 1 d G . . C22 C 0.6130(4) 0.5259(7) 0.8911(5) 0.220(16) Uani 1 1 d G . . H22 H 0.5578 0.5502 0.8945 0.264 Uiso 1 1 calc R . . C23 C 0.6394(5) 0.4678(6) 0.8637(4) 0.173(11) Uani 1 1 d G . . H23 H 0.6017 0.4532 0.8488 0.208 Uiso 1 1 calc R . . C24 C 0.6740(9) 0.6274(8) 0.9722(5) 0.083(4) Uani 1 1 d . . . C25 C 0.6492(7) 0.7359(5) 1.0198(3) 0.083(4) Uani 1 1 d G . . C26 C 0.7243(6) 0.7183(6) 1.0388(4) 0.117(6) Uani 1 1 d G . . H26 H 0.7655 0.6776 1.0302 0.140 Uiso 1 1 calc R . . C27 C 0.7376(7) 0.7616(9) 1.0705(5) 0.139(7) Uani 1 1 d G . . H27 H 0.7878 0.7498 1.0831 0.167 Uiso 1 1 calc R . . C28 C 0.6759(10) 0.8224(8) 1.0833(4) 0.186(12) Uani 1 1 d G . . H28 H 0.6848 0.8513 1.1046 0.223 Uiso 1 1 calc R . . C29 C 0.6008(9) 0.8400(6) 1.0644(5) 0.161(9) Uani 1 1 d G . . H29 H 0.5595 0.8807 1.0730 0.193 Uiso 1 1 calc R . . C30 C 0.5874(6) 0.7968(6) 1.0327(4) 0.112(6) Uani 1 1 d G . . H30 H 0.5372 0.8085 1.0200 0.135 Uiso 1 1 calc R . . C31 C 0.6733(7) 0.2480(6) 0.6565(4) 0.057(3) Uani 1 1 d . . . C32 C 0.7008(7) 0.2253(7) 0.6192(5) 0.072(4) Uani 1 1 d . . . C33 C 0.7232(6) 0.2055(5) 0.5733(2) 0.073(4) Uani 1 1 d G . . C34 C 0.7998(6) 0.2075(7) 0.5546(4) 0.135(8) Uani 1 1 d G . . H34 H 0.8371 0.2179 0.5719 0.162 Uiso 1 1 calc R . . C35 C 0.8207(6) 0.1939(7) 0.5099(4) 0.152(9) Uani 1 1 d G . . H35 H 0.8719 0.1952 0.4974 0.183 Uiso 1 1 calc R . . C36 C 0.7650(8) 0.1783(6) 0.4840(3) 0.089(5) Uani 1 1 d G . . C37 C 0.6884(7) 0.1763(6) 0.5027(3) 0.107(5) Uani 1 1 d G . . H37 H 0.6511 0.1659 0.4854 0.129 Uiso 1 1 calc R . . C38 C 0.6675(5) 0.1899(6) 0.5473(3) 0.096(5) Uani 1 1 d G . . H38 H 0.6163 0.1885 0.5598 0.115 Uiso 1 1 calc R . . C39 C 0.7496(13) 0.1402(8) 0.4093(5) 0.098(6) Uani 1 1 d . . . C40 C 0.7582(9) 0.1222(6) 0.3271(3) 0.091(5) Uani 1 1 d G . . C41 C 0.8110(7) 0.1211(6) 0.2893(4) 0.140(8) Uani 1 1 d G . . H41 H 0.8562 0.1390 0.2898 0.168 Uiso 1 1 calc R . . C42 C 0.7961(9) 0.0934(7) 0.2507(3) 0.154(10) Uani 1 1 d G . . H42 H 0.8314 0.0927 0.2254 0.185 Uiso 1 1 calc R . . C43 C 0.7284(11) 0.0667(8) 0.2500(4) 0.175(11) Uani 1 1 d G . . H43 H 0.7184 0.0481 0.2242 0.210 Uiso 1 1 calc R . . C44 C 0.6757(8) 0.0678(7) 0.2878(6) 0.145(8) Uani 1 1 d G . . H44 H 0.6304 0.0499 0.2873 0.174 Uiso 1 1 calc R . . C45 C 0.6906(7) 0.0955(6) 0.3264(4) 0.121(7) Uani 1 1 d G . . H45 H 0.6553 0.0962 0.3517 0.145 Uiso 1 1 calc R . . C46 C 0.5707(7) 0.3447(6) 0.7638(4) 0.056(3) Uani 1 1 d . . . C47 C 0.5251(8) 0.3744(7) 0.7955(5) 0.072(4) Uani 1 1 d . . . C48 C 0.4660(5) 0.4110(4) 0.8289(3) 0.064(3) Uani 1 1 d G . . C49 C 0.4359(5) 0.3690(3) 0.8627(3) 0.085(4) Uani 1 1 d G . . H49 H 0.4535 0.3180 0.8635 0.102 Uiso 1 1 calc R . . C50 C 0.3794(6) 0.4032(4) 0.8955(3) 0.087(4) Uani 1 1 d G . . H50 H 0.3593 0.3752 0.9181 0.104 Uiso 1 1 calc R . . C51 C 0.3531(5) 0.4794(5) 0.8943(3) 0.085(4) Uani 1 1 d G . . C52 C 0.3832(6) 0.5214(3) 0.8605(3) 0.092(5) Uani 1 1 d G . . H52 H 0.3656 0.5724 0.8597 0.110 Uiso 1 1 calc R . . C53 C 0.4397(5) 0.4872(4) 0.8278(3) 0.084(4) Uani 1 1 d G . . H53 H 0.4598 0.5152 0.8051 0.101 Uiso 1 1 calc R . . C54 C 0.2626(12) 0.5831(11) 0.9353(7) 0.123(7) Uani 1 1 d . . . C55 C 0.1913(7) 0.6682(6) 0.9914(5) 0.112(6) Uani 1 1 d G . . C56 C 0.2121(7) 0.6837(9) 1.0323(4) 0.134(7) Uani 1 1 d G . . H56 H 0.2477 0.6475 1.0494 0.161 Uiso 1 1 calc R . . C57 C 0.1796(10) 0.7533(11) 1.0475(4) 0.195(16) Uani 1 1 d G . . H57 H 0.1935 0.7637 1.0749 0.234 Uiso 1 1 calc R . . C58 C 0.1263(10) 0.8074(7) 1.0219(6) 0.196(16) Uani 1 1 d G . . H58 H 0.1045 0.8540 1.0321 0.235 Uiso 1 1 calc R . . C59 C 0.1055(8) 0.7919(7) 0.9810(6) 0.160(10) Uani 1 1 d G . . H59 H 0.0698 0.8281 0.9638 0.192 Uiso 1 1 calc R . . C60 C 0.1380(8) 0.7223(8) 0.9657(4) 0.134(7) Uani 1 1 d G . . H60 H 0.1241 0.7119 0.9384 0.161 Uiso 1 1 calc R . . C61 C 0.7635(6) 0.0921(5) 0.7237(4) 0.049(3) Uani 1 1 d . . . C62 C 0.7927(7) 0.0533(6) 0.6927(4) 0.061(3) Uani 1 1 d . . . C63 C 0.8268(5) 0.0032(4) 0.6576(3) 0.066(3) Uani 1 1 d G . . C64 C 0.9046(5) -0.0449(5) 0.6597(3) 0.086(4) Uani 1 1 d G . . H64 H 0.9389 -0.0405 0.6810 0.104 Uiso 1 1 calc R . . C65 C 0.9310(4) -0.0997(4) 0.6300(3) 0.095(5) Uani 1 1 d G . . H65 H 0.9831 -0.1319 0.6314 0.114 Uiso 1 1 calc R . . C66 C 0.8797(5) -0.1064(4) 0.5982(3) 0.064(3) Uani 1 1 d G . . C67 C 0.8019(5) -0.0582(5) 0.5961(3) 0.107(6) Uani 1 1 d G . . H67 H 0.7676 -0.0627 0.5748 0.129 Uiso 1 1 calc R . . C68 C 0.7755(4) -0.0034(5) 0.6258(3) 0.100(5) Uani 1 1 d G . . H68 H 0.7234 0.0288 0.6244 0.119 Uiso 1 1 calc R . . C69 C 0.9730(9) -0.2148(7) 0.5621(5) 0.069(3) Uani 1 1 d . . . C70 C 1.0308(5) -0.3288(4) 0.5230(3) 0.076(4) Uani 1 1 d G . . C71 C 1.1114(6) -0.3421(6) 0.5335(4) 0.125(7) Uani 1 1 d G . . H71 H 1.1256 -0.3114 0.5518 0.150 Uiso 1 1 calc R . . C72 C 1.1709(5) -0.4012(6) 0.5168(5) 0.159(10) Uani 1 1 d G . . H72 H 1.2249 -0.4101 0.5239 0.190 Uiso 1 1 calc R . . C73 C 1.1497(7) -0.4471(5) 0.4894(4) 0.114(6) Uani 1 1 d G . . H73 H 1.1895 -0.4866 0.4782 0.137 Uiso 1 1 calc R . . C74 C 1.0690(8) -0.4338(5) 0.4789(3) 0.108(6) Uani 1 1 d G . . H74 H 1.0549 -0.4644 0.4606 0.129 Uiso 1 1 calc R . . C75 C 1.0096(5) -0.3746(6) 0.4956(3) 0.105(5) Uani 1 1 d G . . H75 H 0.9556 -0.3657 0.4886 0.126 Uiso 1 1 calc R . . C76 C 0.6659(7) 0.1899(6) 0.8345(4) 0.057(3) Uani 1 1 d . . . C77 C 0.6500(7) 0.1982(6) 0.8735(4) 0.063(3) Uani 1 1 d . . . C78 C 0.6391(5) 0.2010(4) 0.92142(19) 0.061(3) Uani 1 1 d G . . C79 C 0.6757(5) 0.1382(3) 0.9476(3) 0.079(4) Uani 1 1 d G . . H79 H 0.7025 0.0950 0.9343 0.095 Uiso 1 1 calc R . . C80 C 0.6722(5) 0.1398(4) 0.9938(2) 0.076(4) Uani 1 1 d G . . H80 H 0.6966 0.0978 1.0113 0.092 Uiso 1 1 calc R . . C81 C 0.6321(5) 0.2043(5) 1.01375(19) 0.071(4) Uani 1 1 d G . . C82 C 0.5956(5) 0.2671(4) 0.9875(2) 0.080(4) Uani 1 1 d G . . H82 H 0.5688 0.3103 1.0009 0.095 Uiso 1 1 calc R . . C83 C 0.5990(5) 0.2655(4) 0.9414(2) 0.081(4) Uani 1 1 d G . . H83 H 0.5746 0.3075 0.9238 0.097 Uiso 1 1 calc R . . C84 C 0.5692(11) 0.2395(10) 1.0887(6) 0.108(6) Uani 1 1 d . . . C85 C 0.5296(10) 0.2767(8) 1.1650(4) 0.135(8) Uani 1 1 d G . . C86 C 0.4452(10) 0.2916(11) 1.1652(4) 0.27(2) Uani 1 1 d G . . H86 H 0.4215 0.2783 1.1418 0.319 Uiso 1 1 calc R . . C87 C 0.3962(9) 0.3265(12) 1.2004(6) 0.30(3) Uani 1 1 d G . . H87 H 0.3398 0.3365 1.2005 0.359 Uiso 1 1 calc R . . C88 C 0.4317(13) 0.3464(8) 1.2354(5) 0.28(3) Uani 1 1 d G . . H88 H 0.3989 0.3698 1.2589 0.334 Uiso 1 1 calc R . . C89 C 0.5161(14) 0.3315(9) 1.2352(5) 0.228(19) Uani 1 1 d G . . H89 H 0.5398 0.3448 1.2585 0.274 Uiso 1 1 calc R . . C90 C 0.5650(10) 0.2966(10) 1.2000(5) 0.197(13) Uani 1 1 d G . . H90 H 0.6215 0.2866 1.1999 0.236 Uiso 1 1 calc R . . C91 C 0.8153(3) 0.4365(4) 0.6826(2) 0.055(3) Uani 1 1 d G . . C92 C 0.7434(4) 0.4600(4) 0.70893(18) 0.054(3) Uani 1 1 d G . . H92 H 0.7453 0.4716 0.7380 0.064 Uiso 1 1 calc R . . C93 C 0.6687(3) 0.4661(4) 0.6917(2) 0.055(3) Uani 1 1 d G . . H93 H 0.6206 0.4818 0.7094 0.066 Uiso 1 1 calc R . . C94 C 0.6658(3) 0.4487(4) 0.6482(2) 0.040(2) Uani 1 1 d G . . C95 C 0.7377(4) 0.4252(4) 0.62188(17) 0.058(3) Uani 1 1 d G . . H95 H 0.7358 0.4136 0.5928 0.069 Uiso 1 1 calc R . . C96 C 0.8124(3) 0.4192(4) 0.6391(2) 0.055(3) Uani 1 1 d G . . H96 H 0.8605 0.4035 0.6214 0.066 Uiso 1 1 calc R . . C97 C 0.9887(4) 0.4240(4) 0.6594(3) 0.061(3) Uani 1 1 d G . . C98 C 1.0438(5) 0.3568(4) 0.6507(3) 0.085(4) Uani 1 1 d G . . H98 H 1.0405 0.3145 0.6681 0.102 Uiso 1 1 calc R . . C99 C 1.1036(5) 0.3528(5) 0.6161(3) 0.095(5) Uani 1 1 d G . . H99 H 1.1404 0.3079 0.6103 0.115 Uiso 1 1 calc R . . C100 C 1.1085(6) 0.4160(7) 0.5901(3) 0.121(7) Uani 1 1 d G . . H100 H 1.1485 0.4133 0.5670 0.146 Uiso 1 1 calc R . . C101 C 1.0535(7) 0.4831(6) 0.5988(3) 0.123(7) Uani 1 1 d G . . H101 H 1.0567 0.5254 0.5815 0.147 Uiso 1 1 calc R . . C102 C 0.9936(6) 0.4871(4) 0.6334(4) 0.100(5) Uani 1 1 d G . . H102 H 0.9568 0.5321 0.6392 0.120 Uiso 1 1 calc R . . C103 C 0.8977(6) 0.5135(4) 0.7303(3) 0.069(3) Uani 1 1 d G . . C104 C 0.9386(8) 0.5120(6) 0.7685(4) 0.128(7) Uani 1 1 d G . . H104 H 0.9712 0.4677 0.7805 0.154 Uiso 1 1 calc R . . C105 C 0.9307(10) 0.5766(8) 0.7888(4) 0.235(17) Uani 1 1 d G . . H105 H 0.9581 0.5755 0.8143 0.282 Uiso 1 1 calc R . . C106 C 0.8820(10) 0.6427(6) 0.7708(5) 0.188(12) Uani 1 1 d G . . H106 H 0.8767 0.6859 0.7844 0.226 Uiso 1 1 calc R . . C107 C 0.8411(8) 0.6443(4) 0.7326(5) 0.135(7) Uani 1 1 d G . . H107 H 0.8084 0.6885 0.7206 0.162 Uiso 1 1 calc R . . C108 C 0.8489(6) 0.5797(5) 0.7124(3) 0.096(5) Uani 1 1 d G . . H108 H 0.8216 0.5807 0.6869 0.115 Uiso 1 1 calc R . . C109 C 0.5847(5) 0.4519(4) 0.5673(2) 0.051(3) Uani 1 1 d G . . C110 C 0.5814(6) 0.3867(4) 0.5513(4) 0.100(5) Uani 1 1 d G . . H110 H 0.5707 0.3494 0.5709 0.120 Uiso 1 1 calc R . . C111 C 0.5942(6) 0.3773(6) 0.5058(4) 0.110(6) Uani 1 1 d G . . H111 H 0.5920 0.3336 0.4950 0.132 Uiso 1 1 calc R . . C112 C 0.6102(6) 0.4330(8) 0.4763(2) 0.115(7) Uani 1 1 d G . . H112 H 0.6187 0.4267 0.4459 0.138 Uiso 1 1 calc R . . C113 C 0.6135(6) 0.4982(7) 0.4924(3) 0.111(6) Uani 1 1 d G . . H113 H 0.6242 0.5355 0.4727 0.134 Uiso 1 1 calc R . . C114 C 0.6007(5) 0.5077(4) 0.5379(3) 0.082(4) Uani 1 1 d G . . H114 H 0.6029 0.5513 0.5487 0.098 Uiso 1 1 calc R . . C115 C 0.5122(4) 0.5553(3) 0.6345(3) 0.060(3) Uani 1 1 d G . . C116 C 0.4277(4) 0.5744(5) 0.6417(3) 0.077(4) Uani 1 1 d G . . H116 H 0.4005 0.5381 0.6456 0.092 Uiso 1 1 calc R . . C117 C 0.3840(4) 0.6478(5) 0.6433(4) 0.109(6) Uani 1 1 d G . . H117 H 0.3275 0.6606 0.6481 0.131 Uiso 1 1 calc R . . C118 C 0.4247(6) 0.7021(4) 0.6375(4) 0.122(7) Uani 1 1 d G . . H118 H 0.3954 0.7512 0.6386 0.147 Uiso 1 1 calc R . . C119 C 0.5091(6) 0.6830(4) 0.6303(4) 0.123(7) Uani 1 1 d G . . H119 H 0.5364 0.7194 0.6265 0.148 Uiso 1 1 calc R . . C120 C 0.5529(4) 0.6096(4) 0.6288(3) 0.077(4) Uani 1 1 d G . . H120 H 0.6094 0.5969 0.6239 0.093 Uiso 1 1 calc R . . C121 C 0.4664(4) 0.2134(3) 0.7067(2) 0.049(3) Uani 1 1 d G . . C122 C 0.5077(5) 0.1539(4) 0.68246(18) 0.066(3) Uani 1 1 d G . . H122 H 0.5090 0.1584 0.6514 0.079 Uiso 1 1 calc R . . C123 C 0.5470(4) 0.0876(3) 0.7046(3) 0.075(4) Uani 1 1 d G . . H123 H 0.5747 0.0478 0.6884 0.090 Uiso 1 1 calc R . . C124 C 0.5451(4) 0.0809(3) 0.7510(3) 0.052(3) Uani 1 1 d G . . C125 C 0.5037(5) 0.1404(4) 0.77524(19) 0.063(3) Uani 1 1 d G . . H125 H 0.5024 0.1359 0.8063 0.076 Uiso 1 1 calc R . . C126 C 0.4644(4) 0.2067(3) 0.7531(2) 0.064(3) Uani 1 1 d G . . H126 H 0.4367 0.2465 0.7693 0.077 Uiso 1 1 calc R . . C127 C 0.3748(5) 0.2771(4) 0.6277(2) 0.055(3) Uani 1 1 d G . . C128 C 0.3757(6) 0.3216(4) 0.5885(3) 0.104(5) Uani 1 1 d G . . H128 H 0.3977 0.3613 0.5876 0.124 Uiso 1 1 calc R . . C129 C 0.3439(7) 0.3067(5) 0.5506(2) 0.127(7) Uani 1 1 d G . . H129 H 0.3445 0.3365 0.5243 0.152 Uiso 1 1 calc R . . C130 C 0.3111(6) 0.2474(6) 0.5519(3) 0.082(4) Uani 1 1 d G . . H130 H 0.2898 0.2374 0.5266 0.099 Uiso 1 1 calc R . . C131 C 0.3102(5) 0.2029(4) 0.5912(3) 0.077(4) Uani 1 1 d G . . H131 H 0.2882 0.1632 0.5921 0.093 Uiso 1 1 calc R . . C132 C 0.3421(5) 0.2178(4) 0.6291(2) 0.061(3) Uani 1 1 d G . . H132 H 0.3415 0.1880 0.6553 0.074 Uiso 1 1 calc R . . C133 C 0.3257(4) 0.3417(4) 0.7136(3) 0.054(3) Uani 1 1 d G . . C134 C 0.2493(5) 0.3315(4) 0.7095(3) 0.073(4) Uani 1 1 d G . . H134 H 0.2410 0.3063 0.6861 0.087 Uiso 1 1 calc R . . C135 C 0.1853(4) 0.3591(5) 0.7404(4) 0.096(5) Uani 1 1 d G . . H135 H 0.1342 0.3523 0.7376 0.115 Uiso 1 1 calc R . . C136 C 0.1977(5) 0.3968(6) 0.7753(3) 0.104(5) Uani 1 1 d G . . H136 H 0.1549 0.4152 0.7959 0.125 Uiso 1 1 calc R . . C137 C 0.2741(6) 0.4069(5) 0.7794(3) 0.097(5) Uani 1 1 d G . . H137 H 0.2823 0.4322 0.8028 0.116 Uiso 1 1 calc R . . C138 C 0.3381(4) 0.3794(5) 0.7486(3) 0.089(5) Uani 1 1 d G . . H138 H 0.3892 0.3862 0.7514 0.107 Uiso 1 1 calc R . . C139 C 0.5288(5) -0.0173(5) 0.8288(3) 0.073(4) Uani 1 1 d G . . C140 C 0.4458(5) -0.0030(6) 0.8230(3) 0.094(5) Uani 1 1 d G . . H140 H 0.4255 0.0155 0.7954 0.113 Uiso 1 1 calc R . . C141 C 0.3934(5) -0.0165(7) 0.8586(5) 0.135(8) Uani 1 1 d G . . H141 H 0.3379 -0.0070 0.8547 0.162 Uiso 1 1 calc R . . C142 C 0.4238(8) -0.0443(7) 0.8999(4) 0.129(7) Uani 1 1 d G . . H142 H 0.3887 -0.0533 0.9237 0.155 Uiso 1 1 calc R . . C143 C 0.5067(8) -0.0585(8) 0.9057(3) 0.168(10) Uani 1 1 d G . . H143 H 0.5271 -0.0770 0.9333 0.201 Uiso 1 1 calc R . . C144 C 0.5592(5) -0.0450(7) 0.8701(4) 0.147(9) Uani 1 1 d G . . H144 H 0.6147 -0.0545 0.8740 0.177 Uiso 1 1 calc R . . C145 C 0.6143(6) -0.0771(4) 0.7458(3) 0.066(3) Uani 1 1 d G . . C146 C 0.5569(5) -0.1162(6) 0.7452(4) 0.108(5) Uani 1 1 d G . . H146 H 0.5098 -0.1049 0.7641 0.129 Uiso 1 1 calc R . . C147 C 0.5698(8) -0.1720(6) 0.7165(5) 0.139(8) Uani 1 1 d G . . H147 H 0.5313 -0.1981 0.7161 0.167 Uiso 1 1 calc R . . C148 C 0.6401(9) -0.1888(5) 0.6883(4) 0.132(8) Uani 1 1 d G . . H148 H 0.6488 -0.2261 0.6691 0.159 Uiso 1 1 calc R . . C149 C 0.6976(7) -0.1497(6) 0.6889(3) 0.107(5) Uani 1 1 d G . . H149 H 0.7447 -0.1610 0.6701 0.129 Uiso 1 1 calc R . . C150 C 0.6847(5) -0.0939(5) 0.7176(4) 0.089(4) Uani 1 1 d G . . H150 H 0.7232 -0.0678 0.7180 0.107 Uiso 1 1 calc R . . C151 C 0.9017(4) 0.0421(3) 0.8271(3) 0.050(3) Uani 1 1 d G . . C152 C 0.9714(4) 0.0335(3) 0.7985(2) 0.062(3) Uani 1 1 d G . . H152 H 0.9929 -0.0100 0.7845 0.074 Uiso 1 1 calc R . . C153 C 1.0089(3) 0.0899(3) 0.7908(2) 0.057(3) Uani 1 1 d G . . H153 H 1.0556 0.0842 0.7717 0.068 Uiso 1 1 calc R . . C154 C 0.9767(4) 0.1549(3) 0.8117(2) 0.049(3) Uani 1 1 d G . . C155 C 0.9070(4) 0.1635(3) 0.8403(2) 0.053(3) Uani 1 1 d G . . H155 H 0.8855 0.2070 0.8542 0.064 Uiso 1 1 calc R . . C156 C 0.8695(3) 0.1071(3) 0.8480(2) 0.057(3) Uani 1 1 d G . . H156 H 0.8229 0.1128 0.8671 0.068 Uiso 1 1 calc R . . C157 C 0.9180(4) -0.1094(4) 0.8145(3) 0.061(3) Uani 1 1 d G . . C158 C 0.9041(6) -0.1281(6) 0.7729(3) 0.106(6) Uani 1 1 d G . . H158 H 0.8585 -0.1008 0.7581 0.127 Uiso 1 1 calc R . . C159 C 0.9584(8) -0.1877(6) 0.7534(3) 0.138(8) Uani 1 1 d G . . H159 H 0.9491 -0.2002 0.7256 0.166 Uiso 1 1 calc R . . C160 C 1.0265(7) -0.2286(5) 0.7755(4) 0.136(8) Uani 1 1 d G . . H160 H 1.0629 -0.2684 0.7625 0.163 Uiso 1 1 calc R . . C161 C 1.0404(5) -0.2098(5) 0.8171(4) 0.133(8) Uani 1 1 d G . . H161 H 1.0860 -0.2372 0.8319 0.159 Uiso 1 1 calc R . . C162 C 0.9861(5) -0.1503(5) 0.8366(3) 0.102(5) Uani 1 1 d G . . H162 H 0.9954 -0.1377 0.8644 0.122 Uiso 1 1 calc R . . C163 C 0.8407(5) -0.0466(4) 0.8973(2) 0.060(3) Uani 1 1 d G . . C164 C 0.7780(5) -0.0753(5) 0.9159(3) 0.090(5) Uani 1 1 d G . . H164 H 0.7422 -0.0856 0.8975 0.108 Uiso 1 1 calc R . . C165 C 0.7687(6) -0.0886(6) 0.9619(3) 0.133(7) Uani 1 1 d G . . H165 H 0.7267 -0.1078 0.9743 0.159 Uiso 1 1 calc R . . C166 C 0.8222(8) -0.0732(6) 0.9894(2) 0.113(6) Uani 1 1 d G . . H166 H 0.8160 -0.0821 1.0202 0.136 Uiso 1 1 calc R . . C167 C 0.8850(7) -0.0445(6) 0.9708(3) 0.106(5) Uani 1 1 d G . . H167 H 0.9208 -0.0342 0.9892 0.127 Uiso 1 1 calc R . . C168 C 0.8942(5) -0.0312(5) 0.9248(3) 0.078(4) Uani 1 1 d G . . H168 H 0.9362 -0.0120 0.9124 0.094 Uiso 1 1 calc R . . C169 C 1.1260(3) 0.1930(4) 0.7802(3) 0.057(3) Uani 1 1 d G . . C170 C 1.1371(4) 0.1746(4) 0.7361(2) 0.070(3) Uani 1 1 d G . . H170 H 1.0923 0.1828 0.7189 0.084 Uiso 1 1 calc R . . C171 C 1.2153(5) 0.1441(5) 0.7176(2) 0.074(4) Uani 1 1 d G . . H171 H 1.2227 0.1318 0.6880 0.089 Uiso 1 1 calc R . . C172 C 1.2823(4) 0.1319(5) 0.7432(3) 0.097(5) Uani 1 1 d G . . H172 H 1.3346 0.1115 0.7308 0.117 Uiso 1 1 calc R . . C173 C 1.2712(4) 0.1503(5) 0.7873(3) 0.095(5) Uani 1 1 d G . . H173 H 1.3160 0.1421 0.8045 0.114 Uiso 1 1 calc R . . C174 C 1.1930(4) 0.1808(5) 0.8058(2) 0.071(4) Uani 1 1 d G . . H174 H 1.1856 0.1931 0.8354 0.085 Uiso 1 1 calc R . . C175 C 1.0279(5) 0.2595(4) 0.8572(2) 0.061(3) Uani 1 1 d G . . C176 C 1.0479(5) 0.2090(4) 0.8937(3) 0.072(4) Uani 1 1 d G . . H176 H 1.0605 0.1590 0.8900 0.087 Uiso 1 1 calc R . . C177 C 1.0492(6) 0.2333(6) 0.9357(3) 0.100(5) Uani 1 1 d G . . H177 H 1.0626 0.1995 0.9601 0.120 Uiso 1 1 calc R . . C178 C 1.0303(7) 0.3080(7) 0.9412(3) 0.116(6) Uani 1 1 d G . . H178 H 1.0311 0.3242 0.9693 0.139 Uiso 1 1 calc R . . C179 C 1.0103(7) 0.3585(4) 0.9047(4) 0.124(7) Uani 1 1 d G . . H179 H 0.9977 0.4086 0.9084 0.149 Uiso 1 1 calc R . . C180 C 1.0091(6) 0.3343(4) 0.8627(3) 0.092(5) Uani 1 1 d G . . H180 H 0.9956 0.3681 0.8383 0.110 Uiso 1 1 calc R . . N1 N 1.2147(6) 0.0537(5) 0.5643(3) 0.068(3) Uani 1 1 d . . . H1 H 1.2400 0.0121 0.5770 0.082 Uiso 1 1 calc R . . N2 N 1.3193(6) 0.0214(5) 0.5115(3) 0.076(3) Uani 1 1 d . . . H2 H 1.3274 -0.0199 0.5272 0.091 Uiso 1 1 calc R . . N3 N 0.6401(9) 0.6113(7) 0.9377(4) 0.117(5) Uani 1 1 d . . . H3 H 0.5960 0.6426 0.9293 0.140 Uiso 1 1 calc R . . N4 N 0.6317(7) 0.6972(6) 0.9863(4) 0.100(4) Uani 1 1 d . . . H4A H 0.5888 0.7193 0.9724 0.120 Uiso 1 1 calc R . . N5 N 0.7835(12) 0.1741(8) 0.4374(5) 0.142(7) Uani 1 1 d . . . H5A H 0.8198 0.1949 0.4257 0.170 Uiso 1 1 calc R . . N6 N 0.7771(9) 0.1502(6) 0.3650(4) 0.105(5) Uani 1 1 d . . . H6 H 0.8101 0.1773 0.3603 0.126 Uiso 1 1 calc R . . N7 N 0.2984(9) 0.5100(7) 0.9295(4) 0.123(6) Uani 1 1 d . . . H7A H 0.2858 0.4793 0.9498 0.147 Uiso 1 1 calc R . . N8 N 0.2245(9) 0.5971(8) 0.9763(5) 0.120(5) Uani 1 1 d . . . H8A H 0.2204 0.5602 0.9943 0.144 Uiso 1 1 calc R . . N9 N 0.9000(6) -0.1627(6) 0.5682(4) 0.080(3) Uani 1 1 d . . . H9 H 0.8619 -0.1643 0.5518 0.096 Uiso 1 1 calc R . . N10 N 0.9670(7) -0.2686(6) 0.5378(4) 0.076(3) Uani 1 1 d . . . H10 H 0.9188 -0.2662 0.5303 0.092 Uiso 1 1 calc R . . N11 N 0.6333(7) 0.2059(6) 1.0596(3) 0.090(4) Uani 1 1 d . . . H11A H 0.6786 0.1836 1.0713 0.107 Uiso 1 1 calc R . . N12 N 0.5877(9) 0.2410(7) 1.1311(4) 0.109(5) Uani 1 1 d . . . H12A H 0.6368 0.2195 1.1382 0.131 Uiso 1 1 calc R . . O1 O 1.2241(5) 0.1325(4) 0.5031(3) 0.066(2) Uani 1 1 d . . . O2 O 0.7308(6) 0.5870(5) 0.9911(3) 0.089(3) Uani 1 1 d . . . O3 O 0.7055(7) 0.1032(5) 0.4201(3) 0.091(3) Uani 1 1 d . . . O4 O 0.2608(10) 0.6309(7) 0.9057(5) 0.161(7) Uani 1 1 d . . . O5 O 1.0370(6) -0.2136(5) 0.5777(3) 0.092(3) Uani 1 1 d . . . O6 O 0.4990(8) 0.2676(7) 1.0738(3) 0.131(5) Uani 1 1 d . . . P1 P 0.91307(17) 0.42827(15) 0.70555(11) 0.0536(7) Uani 1 1 d . . . P2 P 0.56644(15) 0.46032(14) 0.62725(10) 0.0471(7) Uani 1 1 d . . . P3 P 0.41360(16) 0.30070(15) 0.67707(10) 0.0518(7) Uani 1 1 d . . . P4 P 0.59924(17) -0.00335(15) 0.78274(11) 0.0567(8) Uani 1 1 d . . . P5 P 0.84889(17) -0.02877(14) 0.83775(11) 0.0526(7) Uani 1 1 d . . . P6 P 1.02274(16) 0.23096(14) 0.80253(10) 0.0498(7) Uani 1 1 d . . . P7 P 0.7678(2) 0.66604(19) 0.57977(14) 0.0757(10) Uani 1 1 d . . . P8 P 0.1596(2) 0.9686(2) 0.89323(14) 0.0829(11) Uani 1 1 d . . . Cu1 Cu 0.77919(8) 0.18744(7) 0.68644(5) 0.0540(3) Uani 1 1 d . . . Cu2 Cu 0.66841(8) 0.28948(7) 0.80320(5) 0.0546(3) Uani 1 1 d . . . Au1 Au 0.81606(2) 0.27199(2) 0.747357(15) 0.04947(12) Uani 1 1 d . . . Au2 Au 0.95432(2) 0.32637(2) 0.754701(16) 0.05213(12) Uani 1 1 d . . . Au3 Au 0.62869(2) 0.29334(2) 0.711826(15) 0.05318(12) Uani 1 1 d . . . Au4 Au 0.49821(2) 0.37650(2) 0.658908(16) 0.05320(12) Uani 1 1 d . . . Au5 Au 0.71303(3) 0.14757(2) 0.775231(15) 0.05042(12) Uani 1 1 d . . . Au6 Au 0.72344(3) -0.00131(2) 0.806964(16) 0.05386(12) Uani 1 1 d . . . F1 F 0.7321(8) 0.6411(10) 0.6245(4) 0.202(7) Uani 1 1 d . . . F2 F 0.7335(11) 0.6170(9) 0.5552(6) 0.236(8) Uani 1 1 d . . . F3 F 0.8489(8) 0.6109(8) 0.5853(5) 0.215(7) Uani 1 1 d . . . F4 F 0.7982(14) 0.7172(13) 0.6054(6) 0.311(13) Uani 1 1 d . . . F5 F 0.6851(8) 0.7201(8) 0.5729(6) 0.216(7) Uani 1 1 d . . . F6 F 0.8006(6) 0.6977(9) 0.5351(4) 0.207(7) Uani 1 1 d . . . F7 F 0.2435(6) 0.9168(6) 0.8810(6) 0.203(7) Uani 1 1 d . . . F8 F 0.1155(7) 0.9133(6) 0.8804(5) 0.170(5) Uani 1 1 d . . . F9 F 0.1619(13) 0.9333(9) 0.9400(5) 0.246(9) Uani 1 1 d . . . F10 F 0.2026(8) 1.0268(7) 0.9068(4) 0.166(5) Uani 1 1 d . . . F11 F 0.1614(10) 1.0065(8) 0.8477(4) 0.206(7) Uani 1 1 d . . . F12 F 0.0762(7) 1.0183(7) 0.9075(6) 0.196(7) Uani 1 1 d . . . O9 O 0.7570(9) 0.2358(7) 1.1368(5) 0.150(5) Uani 1 1 d . . . O10 O 0.8692(9) 0.2547(8) 0.3507(6) 0.175(6) Uani 1 1 d . . . O7 O 1.0720(12) -0.0033(12) 0.5168(7) 0.099(7) Uani 0.50 1 d P . . C182 C 0.534(3) 0.503(4) 1.0140(18) 0.23(3) Uani 0.50 1 d P . . O8 O 0.5650(11) 0.4405(15) 1.0246(13) 0.192(19) Uani 0.50 1 d P . . C181 C 1.012(2) 0.0015(19) 0.5420(9) 0.097(11) Uani 0.50 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 C1 0.037(5) 0.063(6) 0.062(7) -0.013(6) 0.002(5) -0.024(5) C2 0.061(7) 0.072(7) 0.059(8) -0.016(6) -0.010(6) -0.033(6) C3 0.061(7) 0.066(7) 0.044(7) -0.014(6) -0.004(5) -0.020(6) C4 0.070(8) 0.061(7) 0.065(9) 0.001(6) 0.009(6) 0.000(6) C5 0.064(8) 0.071(8) 0.070(9) 0.005(7) 0.014(6) -0.001(6) C6 0.060(7) 0.049(6) 0.079(9) -0.013(6) 0.005(6) -0.017(5) C7 0.095(10) 0.067(7) 0.046(8) -0.002(6) 0.008(7) -0.002(7) C8 0.079(9) 0.063(7) 0.071(9) 0.015(7) 0.013(7) -0.021(6) C9 0.061(7) 0.062(7) 0.045(7) -0.021(6) -0.003(5) -0.016(6) C10 0.068(8) 0.093(9) 0.056(8) -0.007(7) 0.008(6) -0.021(7) C11 0.068(9) 0.115(12) 0.126(15) 0.028(11) 0.001(9) -0.023(8) C12 0.088(13) 0.25(3) 0.109(16) 0.066(17) 0.016(11) -0.036(15) C13 0.102(15) 0.25(3) 0.104(16) 0.003(18) 0.031(12) 0.009(17) C14 0.110(14) 0.153(17) 0.114(16) -0.048(14) 0.042(12) -0.033(12) C15 0.096(11) 0.092(10) 0.114(13) -0.030(10) 0.051(10) -0.018(9) C16 0.057(6) 0.053(6) 0.036(6) -0.007(5) 0.007(5) -0.023(5) C17 0.064(7) 0.075(8) 0.040(7) -0.005(6) -0.002(5) -0.019(6) C18 0.066(8) 0.071(8) 0.076(9) -0.025(7) 0.001(7) -0.014(6) C19 0.077(10) 0.118(12) 0.102(12) -0.049(10) 0.000(8) -0.030(9) C20 0.073(10) 0.093(10) 0.147(16) -0.053(11) -0.003(9) -0.024(8) C21 0.080(10) 0.093(10) 0.109(13) -0.054(9) -0.022(9) 0.003(8) C22 0.119(16) 0.25(3) 0.28(3) -0.22(2) -0.098(18) 0.068(16) C23 0.064(10) 0.186(19) 0.28(3) -0.17(2) -0.037(13) 0.013(11) C24 0.085(10) 0.078(9) 0.083(11) -0.025(8) -0.010(8) -0.012(8) C25 0.107(12) 0.089(10) 0.057(9) -0.017(8) 0.010(8) -0.034(9) C26 0.101(13) 0.139(15) 0.126(16) -0.062(13) 0.004(11) -0.043(11) C27 0.126(17) 0.17(2) 0.139(19) -0.039(16) -0.031(14) -0.061(15) C28 0.16(2) 0.17(2) 0.26(3) -0.12(2) -0.03(2) -0.067(18) C29 0.15(2) 0.160(19) 0.18(2) -0.121(17) -0.002(17) -0.029(15) C30 0.131(15) 0.093(11) 0.111(14) -0.044(10) 0.018(11) -0.023(10) C31 0.055(7) 0.057(6) 0.051(7) 0.013(6) -0.003(6) -0.011(5) C32 0.056(7) 0.078(8) 0.081(11) 0.010(8) -0.017(7) -0.016(6) C33 0.088(10) 0.072(8) 0.052(8) -0.005(7) 0.009(7) -0.016(7) C34 0.119(15) 0.23(2) 0.093(14) -0.055(15) 0.014(11) -0.104(15) C35 0.162(19) 0.25(3) 0.094(15) -0.029(16) 0.047(14) -0.140(19) C36 0.132(14) 0.082(9) 0.062(10) -0.009(8) 0.022(9) -0.050(9) C37 0.138(15) 0.125(13) 0.063(10) -0.039(10) 0.020(10) -0.041(11) C38 0.112(12) 0.118(12) 0.070(11) -0.022(9) 0.006(9) -0.050(10) C39 0.170(18) 0.048(8) 0.057(10) -0.002(7) 0.021(10) -0.008(9) C40 0.134(14) 0.071(9) 0.050(9) -0.013(7) 0.013(9) -0.001(9) C41 0.21(2) 0.108(13) 0.073(13) -0.002(10) 0.045(14) -0.014(13) C42 0.23(3) 0.154(19) 0.054(12) -0.020(12) 0.035(14) -0.019(17) C43 0.24(3) 0.21(3) 0.106(19) -0.059(18) -0.006(19) -0.10(2) C44 0.17(2) 0.164(19) 0.087(15) -0.043(14) 0.023(14) -0.028(15) C45 0.146(18) 0.105(13) 0.075(13) -0.003(10) 0.008(12) 0.022(12) C46 0.049(6) 0.061(7) 0.049(7) 0.002(6) -0.008(5) -0.003(5) C47 0.066(8) 0.067(8) 0.088(10) -0.001(7) -0.040(8) -0.017(6) C48 0.054(7) 0.080(8) 0.058(8) -0.011(7) -0.011(6) -0.015(6) C49 0.097(11) 0.086(9) 0.065(9) 0.001(8) -0.003(8) -0.016(8) C50 0.097(11) 0.078(9) 0.069(10) 0.001(7) 0.024(8) -0.007(8) C51 0.082(9) 0.087(9) 0.067(9) 0.008(8) 0.019(7) -0.004(8) C52 0.109(12) 0.064(8) 0.087(11) -0.004(8) 0.027(9) -0.009(8) C53 0.081(9) 0.068(8) 0.095(11) -0.005(8) 0.000(8) -0.009(7) C54 0.130(15) 0.101(13) 0.104(15) -0.010(12) 0.036(12) 0.013(11) C55 0.092(12) 0.114(13) 0.122(16) -0.036(12) 0.056(11) -0.022(10) C56 0.137(17) 0.21(2) 0.070(13) -0.040(14) 0.021(11) -0.070(16) C57 0.15(2) 0.28(4) 0.22(3) -0.18(3) 0.09(2) -0.16(2) C58 0.18(3) 0.21(3) 0.22(3) -0.12(3) 0.10(3) -0.09(2) C59 0.16(2) 0.103(15) 0.18(2) -0.005(15) 0.081(18) -0.005(13) C60 0.117(15) 0.103(13) 0.16(2) -0.031(14) 0.035(14) 0.000(11) C61 0.059(6) 0.042(5) 0.049(7) -0.002(5) 0.024(5) -0.027(5) C62 0.078(8) 0.048(6) 0.061(8) -0.004(6) -0.018(6) -0.017(6) C63 0.077(8) 0.066(7) 0.057(8) -0.014(6) 0.005(6) -0.022(6) C64 0.078(9) 0.098(10) 0.089(11) -0.044(9) -0.017(8) -0.018(8) C65 0.096(11) 0.081(9) 0.093(12) -0.033(8) -0.027(9) 0.013(8) C66 0.059(7) 0.074(8) 0.056(8) -0.017(6) 0.003(6) -0.012(6) C67 0.103(12) 0.123(12) 0.071(10) -0.044(9) -0.032(8) 0.029(10) C68 0.080(10) 0.125(13) 0.086(11) -0.044(10) -0.017(8) 0.001(9) C69 0.073(9) 0.064(7) 0.070(9) -0.027(7) 0.013(7) -0.014(7) C70 0.073(9) 0.065(7) 0.090(11) -0.010(7) 0.020(7) -0.026(7) C71 0.078(11) 0.105(12) 0.19(2) -0.078(13) -0.005(12) -0.007(9) C72 0.083(12) 0.136(16) 0.27(3) -0.120(18) 0.027(15) -0.022(11) C73 0.108(14) 0.092(11) 0.124(16) -0.005(11) 0.056(12) -0.019(10) C74 0.152(17) 0.090(11) 0.080(12) -0.043(9) 0.028(11) -0.030(11) C75 0.110(12) 0.120(12) 0.090(12) -0.059(10) 0.008(9) -0.030(10) C76 0.062(7) 0.048(6) 0.060(8) 0.001(6) -0.007(6) -0.016(5) C77 0.075(8) 0.058(7) 0.056(8) -0.006(6) -0.011(6) -0.016(6) C78 0.046(6) 0.082(8) 0.054(8) -0.009(6) -0.004(5) -0.015(6) C79 0.087(9) 0.064(7) 0.068(9) 0.013(7) 0.018(7) -0.003(7) C80 0.081(9) 0.071(8) 0.061(9) 0.000(7) -0.001(7) 0.003(7) C81 0.068(8) 0.089(9) 0.053(8) -0.018(7) -0.012(6) -0.009(7) C82 0.102(10) 0.094(9) 0.028(7) -0.006(6) -0.007(6) 0.001(8) C83 0.077(9) 0.078(8) 0.070(10) -0.005(7) -0.019(7) 0.011(7) C84 0.100(12) 0.120(13) 0.083(13) -0.014(10) -0.026(10) 0.012(10) C85 0.24(3) 0.111(13) 0.030(9) 0.001(9) 0.010(12) -0.013(14) C86 0.17(2) 0.44(5) 0.083(16) -0.04(2) 0.054(16) 0.08(3) C87 0.34(5) 0.33(4) 0.078(17) 0.02(2) 0.10(2) 0.11(3) C88 0.47(6) 0.16(2) 0.12(2) -0.01(2) 0.15(3) 0.01(3) C89 0.40(5) 0.19(3) 0.13(2) -0.09(2) 0.13(3) -0.17(3) C90 0.32(4) 0.23(3) 0.085(16) -0.064(17) 0.08(2) -0.15(3) C91 0.052(6) 0.041(5) 0.071(8) 0.006(5) -0.029(6) -0.009(5) C92 0.046(6) 0.072(7) 0.040(6) -0.016(5) -0.005(5) -0.007(5) C93 0.039(6) 0.059(6) 0.069(8) 0.003(6) -0.008(5) -0.018(5) C94 0.033(5) 0.046(5) 0.047(6) -0.001(5) -0.009(4) -0.018(4) C95 0.047(6) 0.072(7) 0.049(7) -0.007(6) -0.013(5) -0.005(5) C96 0.041(6) 0.062(6) 0.066(8) -0.016(6) -0.003(5) -0.016(5) C97 0.038(6) 0.078(8) 0.072(8) 0.017(7) -0.013(5) -0.028(5) C98 0.088(10) 0.068(8) 0.090(11) 0.016(8) -0.023(8) -0.006(7) C99 0.079(10) 0.142(14) 0.055(9) -0.010(9) 0.019(7) -0.020(9) C100 0.092(13) 0.20(2) 0.076(12) 0.018(13) 0.006(9) -0.052(13) C101 0.091(12) 0.172(18) 0.104(14) 0.041(13) 0.039(10) -0.063(12) C102 0.087(10) 0.055(8) 0.156(16) 0.020(9) -0.021(10) -0.021(7) C103 0.073(8) 0.057(7) 0.076(9) -0.010(6) -0.007(7) -0.016(6) C104 0.21(2) 0.085(11) 0.100(13) -0.004(10) -0.084(14) -0.038(12) C105 0.37(4) 0.14(2) 0.22(3) -0.08(2) -0.16(3) -0.03(2) C106 0.27(3) 0.128(19) 0.18(3) -0.072(19) -0.07(2) -0.042(19) C107 0.163(18) 0.056(9) 0.18(2) -0.014(11) -0.040(16) -0.014(10) C108 0.097(11) 0.057(8) 0.136(15) -0.006(9) -0.048(10) -0.015(7) C109 0.039(5) 0.058(6) 0.054(7) 0.009(6) -0.017(5) -0.012(5) C110 0.103(12) 0.094(11) 0.102(13) -0.023(10) -0.043(10) -0.012(9) C111 0.119(14) 0.116(13) 0.090(13) -0.032(11) -0.013(11) -0.013(11) C112 0.069(10) 0.20(2) 0.049(10) -0.024(12) -0.021(7) 0.019(12) C113 0.108(13) 0.145(16) 0.053(10) 0.018(10) 0.000(9) 0.001(11) C114 0.095(10) 0.078(9) 0.065(9) 0.016(7) 0.000(7) -0.021(7) C115 0.050(6) 0.054(6) 0.072(8) 0.000(6) -0.024(6) -0.003(5) C116 0.062(8) 0.092(9) 0.070(9) -0.017(7) -0.007(7) -0.005(7) C117 0.064(9) 0.118(13) 0.131(15) -0.036(12) 0.006(9) 0.004(9) C118 0.106(14) 0.064(9) 0.18(2) -0.032(11) -0.015(13) 0.014(9) C119 0.123(15) 0.062(9) 0.18(2) -0.015(11) -0.030(13) -0.006(9) C120 0.068(8) 0.035(6) 0.123(12) -0.004(7) -0.005(8) -0.006(5) C121 0.041(5) 0.056(6) 0.047(7) 0.008(5) 0.002(5) -0.015(5) C122 0.069(8) 0.064(7) 0.047(7) 0.004(6) 0.019(6) -0.002(6) C123 0.071(8) 0.059(7) 0.091(11) 0.003(7) -0.020(7) -0.009(6) C124 0.047(6) 0.038(5) 0.072(8) 0.009(5) -0.016(6) -0.015(4) C125 0.067(8) 0.068(7) 0.059(8) 0.002(6) -0.011(6) -0.026(6) C126 0.064(7) 0.056(7) 0.069(9) -0.007(6) -0.011(6) -0.009(6) C127 0.042(6) 0.061(6) 0.061(8) 0.002(6) -0.006(5) -0.012(5) C128 0.154(15) 0.093(10) 0.083(11) 0.030(9) -0.059(10) -0.060(10) C129 0.21(2) 0.142(15) 0.057(10) 0.029(10) -0.056(12) -0.091(15) C130 0.089(10) 0.105(11) 0.068(10) -0.006(8) -0.029(8) -0.044(8) C131 0.059(8) 0.077(8) 0.107(12) -0.024(8) -0.001(7) -0.030(6) C132 0.059(7) 0.076(8) 0.058(8) -0.008(6) 0.002(6) -0.034(6) C133 0.046(6) 0.041(5) 0.078(8) -0.004(5) -0.013(6) -0.012(4) C134 0.054(7) 0.063(7) 0.102(11) -0.016(7) 0.007(7) -0.018(6) C135 0.060(9) 0.086(10) 0.144(16) -0.014(10) 0.008(9) -0.025(7) C136 0.054(9) 0.122(13) 0.124(15) -0.030(11) 0.004(9) -0.002(8) C137 0.078(10) 0.118(12) 0.086(11) -0.038(9) 0.000(8) -0.006(9) C138 0.051(8) 0.095(10) 0.126(13) -0.030(9) -0.030(8) -0.014(7) C139 0.063(8) 0.065(7) 0.090(10) 0.011(7) -0.010(7) -0.019(6) C140 0.065(9) 0.106(11) 0.114(13) 0.001(10) -0.005(8) -0.028(8) C141 0.082(12) 0.162(17) 0.16(2) -0.011(15) 0.064(13) -0.059(12) C142 0.132(17) 0.147(16) 0.101(15) 0.011(13) 0.056(13) -0.050(13) C143 0.123(17) 0.21(2) 0.15(2) 0.078(17) 0.037(14) -0.049(16) C144 0.101(13) 0.23(2) 0.088(13) 0.063(15) 0.007(10) -0.042(14) C145 0.065(8) 0.058(7) 0.076(9) 0.007(6) -0.018(7) -0.018(6) C146 0.115(13) 0.087(11) 0.129(15) -0.013(10) -0.031(11) -0.033(10) C147 0.18(2) 0.102(14) 0.16(2) -0.042(13) -0.001(16) -0.070(14) C148 0.20(2) 0.075(11) 0.110(16) -0.018(10) -0.025(15) -0.016(13) C149 0.124(14) 0.076(10) 0.115(15) -0.016(10) -0.017(11) -0.010(10) C150 0.078(10) 0.086(10) 0.105(12) -0.011(9) -0.008(9) -0.022(8) C151 0.035(5) 0.047(6) 0.070(8) -0.005(5) -0.004(5) -0.013(4) C152 0.061(7) 0.053(6) 0.074(9) -0.013(6) 0.007(6) -0.021(5) C153 0.058(7) 0.055(6) 0.059(8) -0.006(6) 0.010(6) -0.021(5) C154 0.039(5) 0.051(6) 0.058(7) -0.002(5) -0.012(5) -0.012(4) C155 0.047(6) 0.052(6) 0.057(7) -0.001(5) -0.006(5) -0.007(5) C156 0.043(6) 0.056(6) 0.071(8) 0.003(6) -0.004(5) -0.015(5) C157 0.051(6) 0.056(6) 0.080(9) 0.003(6) -0.020(6) -0.020(5) C158 0.102(12) 0.112(12) 0.090(12) -0.035(10) -0.033(9) 0.012(9) C159 0.136(17) 0.110(14) 0.17(2) -0.072(14) -0.033(15) -0.009(12) C160 0.109(14) 0.065(10) 0.23(3) -0.046(13) -0.007(15) -0.003(9) C161 0.082(11) 0.092(12) 0.21(2) -0.057(13) -0.045(13) 0.026(9) C162 0.072(9) 0.087(10) 0.138(15) -0.030(10) -0.030(9) 0.006(8) C163 0.073(8) 0.052(6) 0.057(8) 0.007(6) -0.026(6) -0.015(6) C164 0.087(10) 0.146(13) 0.056(9) 0.023(9) 0.004(7) -0.073(10) C165 0.146(17) 0.157(17) 0.098(15) 0.042(13) 0.005(13) -0.065(14) C166 0.152(17) 0.117(13) 0.060(11) -0.001(10) -0.019(11) -0.017(12) C167 0.140(16) 0.114(13) 0.068(11) 0.007(9) -0.018(10) -0.041(11) C168 0.097(10) 0.092(9) 0.049(8) 0.006(7) -0.016(7) -0.031(8) C169 0.048(6) 0.056(6) 0.066(8) 0.007(6) -0.017(6) -0.013(5) C170 0.069(8) 0.072(8) 0.077(10) -0.008(7) -0.008(7) -0.032(6) C171 0.078(9) 0.083(9) 0.065(9) -0.007(7) 0.014(7) -0.033(7) C172 0.061(9) 0.092(10) 0.128(15) 0.028(10) -0.001(9) -0.015(7) C173 0.052(8) 0.139(14) 0.075(10) 0.015(10) -0.012(7) 0.002(8) C174 0.042(6) 0.103(9) 0.061(8) 0.014(7) -0.009(6) -0.014(6) C175 0.048(6) 0.062(7) 0.077(9) 0.001(6) -0.017(6) -0.022(5) C176 0.062(8) 0.074(8) 0.082(10) 0.005(8) -0.008(7) -0.025(6) C177 0.125(13) 0.124(14) 0.056(10) 0.010(9) -0.031(9) -0.043(11) C178 0.133(15) 0.165(18) 0.069(12) -0.041(12) -0.004(10) -0.061(14) C179 0.183(19) 0.110(13) 0.074(12) -0.031(11) -0.029(12) -0.020(12) C180 0.136(13) 0.061(8) 0.073(10) -0.007(7) -0.008(9) -0.017(8) N1 0.068(6) 0.062(6) 0.066(7) -0.013(5) 0.017(5) -0.010(5) N2 0.072(7) 0.070(6) 0.068(7) -0.002(5) 0.025(6) -0.002(5) N3 0.130(11) 0.095(9) 0.107(11) -0.058(8) -0.047(9) 0.024(8) N4 0.102(9) 0.086(8) 0.106(10) -0.050(7) -0.037(7) 0.004(7) N5 0.25(2) 0.118(11) 0.088(11) -0.032(9) 0.039(12) -0.098(13) N6 0.179(14) 0.069(7) 0.060(8) -0.010(6) 0.027(8) -0.030(8) N7 0.146(13) 0.086(9) 0.095(10) 0.012(7) 0.045(9) 0.016(8) N8 0.133(12) 0.112(10) 0.084(10) -0.013(8) 0.021(9) 0.011(9) N9 0.075(7) 0.098(8) 0.068(7) -0.039(6) -0.019(6) -0.008(6) N10 0.075(7) 0.083(7) 0.074(8) -0.030(6) -0.009(6) -0.019(6) N11 0.089(8) 0.123(9) 0.031(6) -0.012(6) -0.014(5) 0.017(7) N12 0.133(11) 0.134(11) 0.041(7) -0.012(7) -0.010(7) -0.004(9) O1 0.067(5) 0.066(5) 0.057(5) 0.001(4) 0.004(4) -0.008(4) O2 0.092(7) 0.095(7) 0.068(6) -0.016(5) -0.021(5) 0.000(5) O3 0.145(10) 0.065(6) 0.053(6) -0.008(5) 0.013(6) -0.021(6) O4 0.226(16) 0.095(9) 0.112(11) 0.002(8) 0.069(10) 0.014(9) O5 0.068(6) 0.106(7) 0.102(8) -0.039(6) -0.004(6) -0.015(5) O6 0.130(10) 0.152(10) 0.061(7) -0.022(7) 0.000(6) 0.047(8) P1 0.0482(16) 0.0473(14) 0.068(2) 0.0091(14) -0.0226(14) -0.0166(12) P2 0.0396(14) 0.0477(14) 0.0547(18) 0.0034(13) -0.0174(12) -0.0110(11) P3 0.0428(15) 0.0528(15) 0.062(2) 0.0062(14) -0.0171(13) -0.0164(12) P4 0.0460(16) 0.0503(15) 0.074(2) 0.0106(15) -0.0126(14) -0.0154(12) P5 0.0487(16) 0.0469(14) 0.063(2) 0.0052(14) -0.0111(14) -0.0147(12) P6 0.0422(14) 0.0490(14) 0.0580(19) 0.0063(13) -0.0114(13) -0.0131(12) P7 0.077(2) 0.068(2) 0.080(3) 0.0057(19) -0.013(2) -0.0195(18) P8 0.077(2) 0.093(3) 0.076(3) 0.007(2) -0.027(2) -0.016(2) Cu1 0.0549(8) 0.0545(7) 0.0534(9) -0.0069(6) -0.0086(6) -0.0138(6) Cu2 0.0515(8) 0.0538(7) 0.0585(9) -0.0085(7) -0.0071(6) -0.0122(6) Au1 0.0423(2) 0.0511(2) 0.0574(3) -0.0088(2) -0.00628(19) -0.01439(17) Au2 0.0445(2) 0.0504(2) 0.0633(3) 0.0100(2) -0.0189(2) -0.01601(18) Au3 0.0468(2) 0.0546(2) 0.0565(3) -0.0012(2) -0.01535(19) -0.00851(18) Au4 0.0455(2) 0.0544(2) 0.0636(3) 0.0075(2) -0.0176(2) -0.01973(18) Au5 0.0590(3) 0.0435(2) 0.0485(3) -0.00195(19) -0.0055(2) -0.01347(18) Au6 0.0469(2) 0.0498(2) 0.0645(3) 0.0071(2) -0.0113(2) -0.01397(18) F1 0.162(11) 0.37(2) 0.110(9) 0.089(11) -0.051(8) -0.149(12) F2 0.259(18) 0.249(17) 0.274(19) -0.134(15) -0.007(14) -0.156(15) F3 0.147(11) 0.210(14) 0.209(14) 0.063(12) -0.023(10) 0.060(10) F4 0.42(3) 0.47(3) 0.205(17) -0.150(19) 0.093(18) -0.37(3) F5 0.121(10) 0.200(13) 0.266(18) 0.039(13) -0.001(10) 0.033(9) F6 0.103(8) 0.358(19) 0.136(10) 0.131(12) -0.019(7) -0.069(10) F7 0.090(7) 0.110(8) 0.40(2) -0.001(11) -0.021(10) -0.013(6) F8 0.123(9) 0.160(10) 0.258(15) -0.084(10) -0.016(9) -0.065(7) F9 0.41(3) 0.254(17) 0.133(12) 0.104(12) -0.109(14) -0.196(18) F10 0.168(11) 0.189(11) 0.182(12) -0.068(9) 0.032(9) -0.109(9) F11 0.297(18) 0.224(14) 0.074(8) 0.041(8) -0.037(9) -0.043(13) F12 0.104(8) 0.168(11) 0.307(19) -0.065(12) 0.087(10) -0.037(8) O9 0.168(13) 0.120(9) 0.136(12) -0.001(8) 0.006(9) -0.006(9) O10 0.178(14) 0.151(12) 0.221(17) -0.002(11) -0.096(12) -0.066(10) O7 0.076(13) 0.145(18) 0.104(17) -0.036(14) -0.047(12) -0.059(12) C182 0.21(5) 0.32(7) 0.21(5) 0.23(5) -0.18(4) -0.21(5) O8 0.028(10) 0.17(2) 0.40(5) -0.23(3) 0.017(18) -0.008(13) C181 0.12(3) 0.15(3) 0.061(19) -0.029(18) 0.022(17) -0.11(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C2 1.240(14) . ? C1 Au1 1.992(11) . ? C1 Cu1 2.042(10) . ? C2 C3 1.437(13) . ? C3 C4 1.3900 . ? C3 C8 1.3900 . ? C4 C5 1.3900 . ? C4 H4 0.9300 . ? C5 C6 1.3900 . ? C5 H5 0.9300 . ? C6 C7 1.3900 . ? C6 N1 1.411(10) . ? C7 C8 1.3900 . ? C7 H7 0.9300 . ? C8 H8 0.9300 . ? C9 O1 1.229(13) . ? C9 N2 1.353(13) . ? C9 N1 1.379(14) . ? C10 N2 1.371(11) . ? C10 C11 1.3900 . ? C10 C15 1.3900 . ? C11 C12 1.3900 . ? C11 H11 0.9300 . ? C12 C13 1.3900 . ? C12 H12 0.9300 . ? C13 C14 1.3900 . ? C13 H13 0.9300 . ? C14 C15 1.3900 . ? C14 H14 0.9300 . ? C15 H15 0.9300 . ? C16 C17 1.177(14) . ? C16 Au1 1.992(10) . ? C16 Cu2 2.062(10) . ? C17 C18 1.479(13) . ? C17 Cu2 2.545(12) . ? C18 C19 1.3900 . ? C18 C23 1.3900 . ? C19 C20 1.3900 . ? C19 H19 0.9300 . ? C20 C21 1.3900 . ? C20 H20 0.9300 . ? C21 C22 1.3900 . ? C21 N3 1.421(12) . ? C22 C23 1.3900 . ? C22 H22 0.9300 . ? C23 H23 0.9300 . ? C24 O2 1.206(15) . ? C24 N3 1.331(18) . ? C24 N4 1.407(16) . ? C25 C26 1.3900 . ? C25 C30 1.3900 . ? C25 N4 1.402(13) . ? C26 C27 1.3900 . ? C26 H26 0.9300 . ? C27 C28 1.3900 . ? C27 H27 0.9300 . ? C28 C29 1.3900 . ? C28 H28 0.9300 . ? C29 C30 1.3900 . ? C29 H29 0.9300 . ? C30 H30 0.9300 . ? C31 C32 1.248(17) . ? C31 Au3 1.945(13) . ? C31 Cu1 2.081(11) . ? C32 C33 1.462(16) . ? C32 Cu1 2.462(13) . ? C33 C34 1.3900 . ? C33 C38 1.3900 . ? C34 C35 1.3900 . ? C34 H34 0.9300 . ? C35 C36 1.3900 . ? C35 H35 0.9300 . ? C36 C37 1.3900 . ? C36 N5 1.417(16) . ? C37 C38 1.3900 . ? C37 H37 0.9300 . ? C38 H38 0.9300 . ? C39 O3 1.176(19) . ? C39 N5 1.37(2) . ? C39 N6 1.388(17) . ? C40 C41 1.3900 . ? C40 C45 1.3900 . ? C40 N6 1.403(15) . ? C41 C42 1.3900 . ? C41 H41 0.9300 . ? C42 C43 1.3900 . ? C42 H42 0.9300 . ? C43 C44 1.3900 . ? C43 H43 0.9300 . ? C44 C45 1.3900 . ? C44 H44 0.9300 . ? C45 H45 0.9300 . ? C46 C47 1.252(16) . ? C46 Au3 1.967(12) . ? C46 Cu2 2.104(10) . ? C47 C48 1.443(16) . ? C47 Cu2 2.545(12) . ? C48 C49 1.3900 . ? C48 C53 1.3900 . ? C49 C50 1.3900 . ? C49 H49 0.9300 . ? C50 C51 1.3900 . ? C50 H50 0.9300 . ? C51 C52 1.3900 . ? C51 N7 1.408(13) . ? C52 C53 1.3900 . ? C52 H52 0.9300 . ? C53 H53 0.9300 . ? C54 O4 1.211(19) . ? C54 N8 1.36(2) . ? C54 N7 1.37(2) . ? C55 C56 1.3900 . ? C55 C60 1.3900 . ? C55 N8 1.414(15) . ? C56 C57 1.3900 . ? C56 H56 0.9300 . ? C57 C58 1.3900 . ? C57 H57 0.9300 . ? C58 C59 1.3900 . ? C58 H58 0.9300 . ? C59 C60 1.3900 . ? C59 H59 0.9300 . ? C60 H60 0.9300 . ? C61 C62 1.229(14) . ? C61 Au5 1.959(10) . ? C61 Cu1 2.114(9) . ? C62 C63 1.461(13) . ? C62 Cu1 2.488(11) . ? C63 C64 1.3900 . ? C63 C68 1.3900 . ? C64 C65 1.3900 . ? C64 H64 0.9300 . ? C65 C66 1.3900 . ? C65 H65 0.9300 . ? C66 C67 1.3900 . ? C66 N9 1.416(11) . ? C67 C68 1.3900 . ? C67 H67 0.9300 . ? C68 H68 0.9300 . ? C69 O5 1.234(15) . ? C69 N10 1.342(15) . ? C69 N9 1.370(15) . ? C70 C71 1.3900 . ? C70 C75 1.3900 . ? C70 N10 1.418(11) . ? C71 C72 1.3900 . ? C71 H71 0.9300 . ? C72 C73 1.3900 . ? C72 H72 0.9300 . ? C73 C74 1.3900 . ? C73 H73 0.9300 . ? C74 C75 1.3900 . ? C74 H74 0.9300 . ? C75 H75 0.9300 . ? C76 C77 1.196(15) . ? C76 Au5 2.037(13) . ? C76 Cu2 2.047(11) . ? C77 C78 1.445(14) . ? C78 C79 1.3900 . ? C78 C83 1.3900 . ? C79 C80 1.3900 . ? C79 H79 0.9300 . ? C80 C81 1.3900 . ? C80 H80 0.9300 . ? C81 N11 1.386(11) . ? C81 C82 1.3900 . ? C82 C83 1.3900 . ? C82 H82 0.9300 . ? C83 H83 0.9300 . ? C84 O6 1.271(18) . ? C84 N12 1.344(19) . ? C84 N11 1.389(18) . ? C85 C86 1.3900 . ? C85 C90 1.3900 . ? C85 N12 1.441(15) . ? C86 C87 1.3900 . ? C86 H86 0.9300 . ? C87 C88 1.3900 . ? C87 H87 0.9300 . ? C88 C89 1.3900 . ? C88 H88 0.9300 . ? C89 C90 1.3900 . ? C89 H89 0.9300 . ? C90 H90 0.9300 . ? C91 C92 1.3900 . ? C91 C96 1.3900 . ? C91 P1 1.824(5) . ? C92 C93 1.3900 . ? C92 H92 0.9300 . ? C93 C94 1.3900 . ? C93 H93 0.9300 . ? C94 C95 1.3900 . ? C94 P2 1.812(5) . ? C95 C96 1.3900 . ? C95 H95 0.9300 . ? C96 H96 0.9300 . ? C97 C98 1.3900 . ? C97 C102 1.3900 . ? C97 P1 1.809(7) . ? C98 C99 1.3900 . ? C98 H98 0.9300 . ? C99 C100 1.3900 . ? C99 H99 0.9300 . ? C100 C101 1.3900 . ? C100 H100 0.9300 . ? C101 C102 1.3900 . ? C101 H101 0.9300 . ? C102 H102 0.9300 . ? C103 C104 1.3900 . ? C103 C108 1.3900 . ? C103 P1 1.792(8) . ? C104 C105 1.3900 . ? C104 H104 0.9300 . ? C105 C106 1.3900 . ? C105 H105 0.9300 . ? C106 C107 1.3900 . ? C106 H106 0.9300 . ? C107 C108 1.3900 . ? C107 H107 0.9300 . ? C108 H108 0.9300 . ? C109 C110 1.3900 . ? C109 C114 1.3900 . ? C109 P2 1.820(7) . ? C110 C111 1.3900 . ? C110 H110 0.9300 . ? C111 C112 1.3900 . ? C111 H111 0.9300 . ? C112 C113 1.3900 . ? C112 H112 0.9300 . ? C113 C114 1.3900 . ? C113 H113 0.9300 . ? C114 H114 0.9300 . ? C115 C116 1.3900 . ? C115 C120 1.3900 . ? C115 P2 1.809(6) . ? C116 C117 1.3900 . ? C116 H116 0.9300 . ? C117 C118 1.3900 . ? C117 H117 0.9300 . ? C118 C119 1.3900 . ? C118 H118 0.9300 . ? C119 C120 1.3900 . ? C119 H119 0.9300 . ? C120 H120 0.9300 . ? C121 C122 1.3900 . ? C121 C126 1.3900 . ? C121 P3 1.840(5) . ? C122 C123 1.3900 . ? C122 H122 0.9300 . ? C123 C124 1.3900 . ? C123 H123 0.9300 . ? C124 C125 1.3900 . ? C124 P4 1.836(5) . ? C125 C126 1.3900 . ? C125 H125 0.9300 . ? C126 H126 0.9300 . ? C127 C128 1.3900 . ? C127 C132 1.3900 . ? C127 P3 1.819(7) . ? C128 C129 1.3900 . ? C128 H128 0.9300 . ? C129 C130 1.3900 . ? C129 H129 0.9300 . ? C130 C131 1.3900 . ? C130 H130 0.9300 . ? C131 C132 1.3900 . ? C131 H131 0.9300 . ? C132 H132 0.9300 . ? C133 C134 1.3900 . ? C133 C138 1.3900 . ? C133 P3 1.818(6) . ? C134 C135 1.3900 . ? C134 H134 0.9300 . ? C135 C136 1.3900 . ? C135 H135 0.9300 . ? C136 C137 1.3900 . ? C136 H136 0.9300 . ? C137 C138 1.3900 . ? C137 H137 0.9300 . ? C138 H138 0.9300 . ? C139 C140 1.3900 . ? C139 C144 1.3900 . ? C139 P4 1.810(7) . ? C140 C141 1.3900 . ? C140 H140 0.9300 . ? C141 C142 1.3900 . ? C141 H141 0.9300 . ? C142 C143 1.3900 . ? C142 H142 0.9300 . ? C143 C144 1.3900 . ? C143 H143 0.9300 . ? C144 H144 0.9300 . ? C145 C146 1.3900 . ? C145 C150 1.3900 . ? C145 P4 1.821(8) . ? C146 C147 1.3900 . ? C146 H146 0.9300 . ? C147 C148 1.3900 . ? C147 H147 0.9300 . ? C148 C149 1.3900 . ? C148 H148 0.9300 . ? C149 C150 1.3900 . ? C149 H149 0.9300 . ? C150 H150 0.9300 . ? C151 C152 1.3900 . ? C151 C156 1.3900 . ? C151 P5 1.813(5) . ? C152 C153 1.3900 . ? C152 H152 0.9300 . ? C153 C154 1.3900 . ? C153 H153 0.9300 . ? C154 C155 1.3900 . ? C154 P6 1.821(5) . ? C155 C156 1.3900 . ? C155 H155 0.9300 . ? C156 H156 0.9300 . ? C157 C158 1.3900 . ? C157 C162 1.3900 . ? C157 P5 1.812(7) . ? C158 C159 1.3900 . ? C158 H158 0.9300 . ? C159 C160 1.3900 . ? C159 H159 0.9300 . ? C160 C161 1.3900 . ? C160 H160 0.9300 . ? C161 C162 1.3900 . ? C161 H161 0.9300 . ? C162 H162 0.9300 . ? C163 C164 1.3900 . ? C163 C168 1.3900 . ? C163 P5 1.796(7) . ? C164 C165 1.3900 . ? C164 H164 0.9300 . ? C165 C166 1.3900 . ? C165 H165 0.9300 . ? C166 C167 1.3900 . ? C166 H166 0.9300 . ? C167 C168 1.3900 . ? C167 H167 0.9300 . ? C168 H168 0.9300 . ? C169 C170 1.3900 . ? C169 C174 1.3900 . ? C169 P6 1.807(6) . ? C170 C171 1.3900 . ? C170 H170 0.9300 . ? C171 C172 1.3900 . ? C171 H171 0.9300 . ? C172 C173 1.3900 . ? C172 H172 0.9300 . ? C173 C174 1.3900 . ? C173 H173 0.9300 . ? C174 H174 0.9300 . ? C175 C176 1.3900 . ? C175 C180 1.3900 . ? C175 P6 1.799(7) . ? C176 C177 1.3900 . ? C176 H176 0.9300 . ? C177 C178 1.3900 . ? C177 H177 0.9300 . ? C178 C179 1.3900 . ? C178 H178 0.9300 . ? C179 C180 1.3900 . ? C179 H179 0.9300 . ? C180 H180 0.9300 . ? N1 H1 0.8600 . ? N2 H2 0.8600 . ? N3 H3 0.8600 . ? N4 H4A 0.8600 . ? N5 H5A 0.8600 . ? N6 H6 0.8600 . ? N7 H7A 0.8600 . ? N8 H8A 0.8600 . ? N9 H9 0.8600 . ? N10 H10 0.8600 . ? N11 H11A 0.8600 . ? N12 H12A 0.8600 . ? P1 Au2 2.308(3) . ? P2 Au4 2.321(3) . ? P3 Au4 2.316(3) . ? P4 Au6 2.315(3) . ? P5 Au6 2.314(3) . ? P6 Au2 2.313(3) . ? P7 F3 1.496(11) . ? P7 F2 1.509(12) . ? P7 F5 1.515(11) . ? P7 F4 1.519(14) . ? P7 F1 1.524(11) . ? P7 F6 1.548(11) . ? P8 F11 1.491(11) . ? P8 F9 1.503(12) . ? P8 F12 1.527(11) . ? P8 F7 1.533(11) . ? P8 F8 1.548(11) . ? P8 F10 1.587(11) . ? Cu1 Au1 2.7691(15) . ? Cu1 Au3 2.8830(15) . ? Cu1 Au5 2.9329(15) . ? Cu2 Au5 2.7821(14) . ? Cu2 Au1 2.8688(15) . ? Cu2 Au3 2.8804(15) . ? Au1 Au2 2.8656(7) . ? Au1 Au5 3.3363(8) . ? Au1 Au3 3.3684(8) . ? Au3 Au4 2.8594(9) . ? Au3 Au5 3.2645(10) . ? Au5 Au6 2.8654(7) . ? O7 C181 1.20(3) . ? C182 O8 1.18(5) . ? C182 C182 1.54(7) 2_667 ? 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 C2 C1 Au1 164.3(9) . . ? C2 C1 Cu1 109.0(8) . . ? Au1 C1 Cu1 86.7(4) . . ? C1 C2 C3 172.8(12) . . ? C4 C3 C8 120.0 . . ? C4 C3 C2 121.3(7) . . ? C8 C3 C2 118.5(7) . . ? C5 C4 C3 120.0 . . ? C5 C4 H4 120.0 . . ? C3 C4 H4 120.0 . . ? C4 C5 C6 120.0 . . ? C4 C5 H5 120.0 . . ? C6 C5 H5 120.0 . . ? C5 C6 C7 120.0 . . ? C5 C6 N1 123.5(6) . . ? C7 C6 N1 116.5(6) . . ? C8 C7 C6 120.0 . . ? C8 C7 H7 120.0 . . ? C6 C7 H7 120.0 . . ? C7 C8 C3 120.0 . . ? C7 C8 H8 120.0 . . ? C3 C8 H8 120.0 . . ? O1 C9 N2 124.4(11) . . ? O1 C9 N1 122.6(10) . . ? N2 C9 N1 112.9(11) . . ? N2 C10 C11 123.1(8) . . ? N2 C10 C15 116.8(8) . . ? C11 C10 C15 120.0 . . ? C10 C11 C12 120.0 . . ? C10 C11 H11 120.0 . . ? C12 C11 H11 120.0 . . ? C13 C12 C11 120.0 . . ? C13 C12 H12 120.0 . . ? C11 C12 H12 120.0 . . ? C12 C13 C14 120.0 . . ? C12 C13 H13 120.0 . . ? C14 C13 H13 120.0 . . ? C13 C14 C15 120.0 . . ? C13 C14 H14 120.0 . . ? C15 C14 H14 120.0 . . ? C14 C15 C10 120.0 . . ? C14 C15 H15 120.0 . . ? C10 C15 H15 120.0 . . ? C17 C16 Au1 167.8(10) . . ? C17 C16 Cu2 100.0(9) . . ? Au1 C16 Cu2 90.1(4) . . ? C16 C17 C18 175.8(12) . . ? C16 C17 Cu2 52.9(7) . . ? C18 C17 Cu2 129.0(7) . . ? C19 C18 C23 120.0 . . ? C19 C18 C17 121.6(7) . . ? C23 C18 C17 118.3(7) . . ? C20 C19 C18 120.0 . . ? C20 C19 H19 120.0 . . ? C18 C19 H19 120.0 . . ? C19 C20 C21 120.0 . . ? C19 C20 H20 120.0 . . ? C21 C20 H20 120.0 . . ? C22 C21 C20 120.0 . . ? C22 C21 N3 117.7(8) . . ? C20 C21 N3 122.1(9) . . ? C23 C22 C21 120.0 . . ? C23 C22 H22 120.0 . . ? C21 C22 H22 120.0 . . ? C22 C23 C18 120.0 . . ? C22 C23 H23 120.0 . . ? C18 C23 H23 120.0 . . ? O2 C24 N3 125.5(13) . . ? O2 C24 N4 122.9(14) . . ? N3 C24 N4 111.4(13) . . ? C26 C25 C30 120.0 . . ? C26 C25 N4 123.7(9) . . ? C30 C25 N4 116.3(9) . . ? C25 C26 C27 120.0 . . ? C25 C26 H26 120.0 . . ? C27 C26 H26 120.0 . . ? C28 C27 C26 120.0 . . ? C28 C27 H27 120.0 . . ? C26 C27 H27 120.0 . . ? C27 C28 C29 120.0 . . ? C27 C28 H28 120.0 . . ? C29 C28 H28 120.0 . . ? C28 C29 C30 120.0 . . ? C28 C29 H29 120.0 . . ? C30 C29 H29 120.0 . . ? C29 C30 C25 120.0 . . ? C29 C30 H30 120.0 . . ? C25 C30 H30 120.0 . . ? C32 C31 Au3 174.2(10) . . ? C32 C31 Cu1 91.9(8) . . ? Au3 C31 Cu1 91.4(5) . . ? C31 C32 C33 172.4(12) . . ? C31 C32 Cu1 57.7(7) . . ? C33 C32 Cu1 129.9(8) . . ? C34 C33 C38 120.0 . . ? C34 C33 C32 118.7(9) . . ? C38 C33 C32 121.1(9) . . ? C35 C34 C33 120.0 . . ? C35 C34 H34 120.0 . . ? C33 C34 H34 120.0 . . ? C36 C35 C34 120.0 . . ? C36 C35 H35 120.0 . . ? C34 C35 H35 120.0 . . ? C35 C36 C37 120.0 . . ? C35 C36 N5 118.8(11) . . ? C37 C36 N5 120.7(12) . . ? C38 C37 C36 120.0 . . ? C38 C37 H37 120.0 . . ? C36 C37 H37 120.0 . . ? C37 C38 C33 120.0 . . ? C37 C38 H38 120.0 . . ? C33 C38 H38 120.0 . . ? O3 C39 N5 125.8(15) . . ? O3 C39 N6 122.0(18) . . ? N5 C39 N6 112.2(17) . . ? C41 C40 C45 120.0 . . ? C41 C40 N6 117.2(12) . . ? C45 C40 N6 122.8(12) . . ? C40 C41 C42 120.0 . . ? C40 C41 H41 120.0 . . ? C42 C41 H41 120.0 . . ? C43 C42 C41 120.0 . . ? C43 C42 H42 120.0 . . ? C41 C42 H42 120.0 . . ? C42 C43 C44 120.0 . . ? C42 C43 H43 120.0 . . ? C44 C43 H43 120.0 . . ? C43 C44 C45 120.0 . . ? C43 C44 H44 120.0 . . ? C45 C44 H44 120.0 . . ? C44 C45 C40 120.0 . . ? C44 C45 H45 120.0 . . ? C40 C45 H45 120.0 . . ? C47 C46 Au3 171.7(11) . . ? C47 C46 Cu2 95.3(8) . . ? Au3 C46 Cu2 90.0(4) . . ? C46 C47 C48 174.1(12) . . ? C46 C47 Cu2 55.4(7) . . ? C48 C47 Cu2 130.4(8) . . ? C49 C48 C53 120.0 . . ? C49 C48 C47 119.2(7) . . ? C53 C48 C47 120.8(7) . . ? C50 C49 C48 120.0 . . ? C50 C49 H49 120.0 . . ? C48 C49 H49 120.0 . . ? C49 C50 C51 120.0 . . ? C49 C50 H50 120.0 . . ? C51 C50 H50 120.0 . . ? C52 C51 C50 120.0 . . ? C52 C51 N7 123.3(8) . . ? C50 C51 N7 116.6(8) . . ? C51 C52 C53 120.0 . . ? C51 C52 H52 120.0 . . ? C53 C52 H52 120.0 . . ? C52 C53 C48 120.0 . . ? C52 C53 H53 120.0 . . ? C48 C53 H53 120.0 . . ? O4 C54 N8 122.3(16) . . ? O4 C54 N7 123.0(17) . . ? N8 C54 N7 114.5(17) . . ? C56 C55 C60 120.0 . . ? C56 C55 N8 119.5(13) . . ? C60 C55 N8 120.5(13) . . ? C55 C56 C57 120.0 . . ? C55 C56 H56 120.0 . . ? C57 C56 H56 120.0 . . ? C58 C57 C56 120.0 . . ? C58 C57 H57 120.0 . . ? C56 C57 H57 120.0 . . ? C57 C58 C59 120.0 . . ? C57 C58 H58 120.0 . . ? C59 C58 H58 120.0 . . ? C60 C59 C58 120.0 . . ? C60 C59 H59 120.0 . . ? C58 C59 H59 120.0 . . ? C59 C60 C55 120.0 . . ? C59 C60 H60 120.0 . . ? C55 C60 H60 120.0 . . ? C62 C61 Au5 175.4(9) . . ? C62 C61 Cu1 92.3(7) . . ? Au5 C61 Cu1 92.0(4) . . ? C61 C62 C63 176.4(11) . . ? C61 C62 Cu1 58.1(6) . . ? C63 C62 Cu1 125.5(8) . . ? C64 C63 C68 120.0 . . ? C64 C63 C62 120.9(7) . . ? C68 C63 C62 118.3(7) . . ? C65 C64 C63 120.0 . . ? C65 C64 H64 120.0 . . ? C63 C64 H64 120.0 . . ? C64 C65 C66 120.0 . . ? C64 C65 H65 120.0 . . ? C66 C65 H65 120.0 . . ? C67 C66 C65 120.0 . . ? C67 C66 N9 116.2(7) . . ? C65 C66 N9 123.8(7) . . ? C66 C67 C68 120.0 . . ? C66 C67 H67 120.0 . . ? C68 C67 H67 120.0 . . ? C67 C68 C63 120.0 . . ? C67 C68 H68 120.0 . . ? C63 C68 H68 120.0 . . ? O5 C69 N10 123.5(12) . . ? O5 C69 N9 124.0(12) . . ? N10 C69 N9 112.4(13) . . ? C71 C70 C75 120.0 . . ? C71 C70 N10 123.4(8) . . ? C75 C70 N10 116.6(8) . . ? C72 C71 C70 120.0 . . ? C72 C71 H71 120.0 . . ? C70 C71 H71 120.0 . . ? C71 C72 C73 120.0 . . ? C71 C72 H72 120.0 . . ? C73 C72 H72 120.0 . . ? C74 C73 C72 120.0 . . ? C74 C73 H73 120.0 . . ? C72 C73 H73 120.0 . . ? C73 C74 C75 120.0 . . ? C73 C74 H74 120.0 . . ? C75 C74 H74 120.0 . . ? C74 C75 C70 120.0 . . ? C74 C75 H75 120.0 . . ? C70 C75 H75 120.0 . . ? C77 C76 Au5 163.6(10) . . ? C77 C76 Cu2 107.7(9) . . ? Au5 C76 Cu2 85.9(5) . . ? C76 C77 C78 173.3(12) . . ? C79 C78 C83 120.0 . . ? C79 C78 C77 117.9(7) . . ? C83 C78 C77 122.0(7) . . ? C80 C79 C78 120.0 . . ? C80 C79 H79 120.0 . . ? C78 C79 H79 120.0 . . ? C79 C80 C81 120.0 . . ? C79 C80 H80 120.0 . . ? C81 C80 H80 120.0 . . ? N11 C81 C80 119.1(7) . . ? N11 C81 C82 120.9(7) . . ? C80 C81 C82 120.0 . . ? C83 C82 C81 120.0 . . ? C83 C82 H82 120.0 . . ? C81 C82 H82 120.0 . . ? C82 C83 C78 120.0 . . ? C82 C83 H83 120.0 . . ? C78 C83 H83 120.0 . . ? O6 C84 N12 125.1(16) . . ? O6 C84 N11 118.8(15) . . ? N12 C84 N11 116.1(14) . . ? C86 C85 C90 120.0 . . ? C86 C85 N12 126.2(13) . . ? C90 C85 N12 113.8(13) . . ? C87 C86 C85 120.0 . . ? C87 C86 H86 120.0 . . ? C85 C86 H86 120.0 . . ? C88 C87 C86 120.0 . . ? C88 C87 H87 120.0 . . ? C86 C87 H87 120.0 . . ? C87 C88 C89 120.0 . . ? C87 C88 H88 120.0 . . ? C89 C88 H88 120.0 . . ? C88 C89 C90 120.0 . . ? C88 C89 H89 120.0 . . ? C90 C89 H89 120.0 . . ? C89 C90 C85 120.0 . . ? C89 C90 H90 120.0 . . ? C85 C90 H90 120.0 . . ? C92 C91 C96 120.0 . . ? C92 C91 P1 119.7(4) . . ? C96 C91 P1 120.3(4) . . ? C93 C92 C91 120.0 . . ? C93 C92 H92 120.0 . . ? C91 C92 H92 120.0 . . ? C92 C93 C94 120.0 . . ? C92 C93 H93 120.0 . . ? C94 C93 H93 120.0 . . ? C93 C94 C95 120.0 . . ? C93 C94 P2 117.9(4) . . ? C95 C94 P2 122.1(4) . . ? C96 C95 C94 120.0 . . ? C96 C95 H95 120.0 . . ? C94 C95 H95 120.0 . . ? C95 C96 C91 120.0 . . ? C95 C96 H96 120.0 . . ? C91 C96 H96 120.0 . . ? C98 C97 C102 120.0 . . ? C98 C97 P1 119.2(5) . . ? C102 C97 P1 120.7(5) . . ? C99 C98 C97 120.0 . . ? C99 C98 H98 120.0 . . ? C97 C98 H98 120.0 . . ? C98 C99 C100 120.0 . . ? C98 C99 H99 120.0 . . ? C100 C99 H99 120.0 . . ? C101 C100 C99 120.0 . . ? C101 C100 H100 120.0 . . ? C99 C100 H100 120.0 . . ? C100 C101 C102 120.0 . . ? C100 C101 H101 120.0 . . ? C102 C101 H101 120.0 . . ? C101 C102 C97 120.0 . . ? C101 C102 H102 120.0 . . ? C97 C102 H102 120.0 . . ? C104 C103 C108 120.0 . . ? C104 C103 P1 117.2(6) . . ? C108 C103 P1 122.8(6) . . ? C105 C104 C103 120.0 . . ? C105 C104 H104 120.0 . . ? C103 C104 H104 120.0 . . ? C104 C105 C106 120.0 . . ? C104 C105 H105 120.0 . . ? C106 C105 H105 120.0 . . ? C105 C106 C107 120.0 . . ? C105 C106 H106 120.0 . . ? C107 C106 H106 120.0 . . ? C108 C107 C106 120.0 . . ? C108 C107 H107 120.0 . . ? C106 C107 H107 120.0 . . ? C107 C108 C103 120.0 . . ? C107 C108 H108 120.0 . . ? C103 C108 H108 120.0 . . ? C110 C109 C114 120.0 . . ? C110 C109 P2 117.3(6) . . ? C114 C109 P2 122.7(6) . . ? C111 C110 C109 120.0 . . ? C111 C110 H110 120.0 . . ? C109 C110 H110 120.0 . . ? C110 C111 C112 120.0 . . ? C110 C111 H111 120.0 . . ? C112 C111 H111 120.0 . . ? C113 C112 C111 120.0 . . ? C113 C112 H112 120.0 . . ? C111 C112 H112 120.0 . . ? C112 C113 C114 120.0 . . ? C112 C113 H113 120.0 . . ? C114 C113 H113 120.0 . . ? C113 C114 C109 120.0 . . ? C113 C114 H114 120.0 . . ? C109 C114 H114 120.0 . . ? C116 C115 C120 120.0 . . ? C116 C115 P2 119.0(5) . . ? C120 C115 P2 120.8(5) . . ? C117 C116 C115 120.0 . . ? C117 C116 H116 120.0 . . ? C115 C116 H116 120.0 . . ? C118 C117 C116 120.0 . . ? C118 C117 H117 120.0 . . ? C116 C117 H117 120.0 . . ? C117 C118 C119 120.0 . . ? C117 C118 H118 120.0 . . ? C119 C118 H118 120.0 . . ? C120 C119 C118 120.0 . . ? C120 C119 H119 120.0 . . ? C118 C119 H119 120.0 . . ? C119 C120 C115 120.0 . . ? C119 C120 H120 120.0 . . ? C115 C120 H120 120.0 . . ? C122 C121 C126 120.0 . . ? C122 C121 P3 119.7(4) . . ? C126 C121 P3 120.3(4) . . ? C121 C122 C123 120.0 . . ? C121 C122 H122 120.0 . . ? C123 C122 H122 120.0 . . ? C122 C123 C124 120.0 . . ? C122 C123 H123 120.0 . . ? C124 C123 H123 120.0 . . ? C125 C124 C123 120.0 . . ? C125 C124 P4 117.2(4) . . ? C123 C124 P4 122.7(4) . . ? C124 C125 C126 120.0 . . ? C124 C125 H125 120.0 . . ? C126 C125 H125 120.0 . . ? C125 C126 C121 120.0 . . ? C125 C126 H126 120.0 . . ? C121 C126 H126 120.0 . . ? C128 C127 C132 120.0 . . ? C128 C127 P3 118.5(5) . . ? C132 C127 P3 121.5(5) . . ? C129 C128 C127 120.0 . . ? C129 C128 H128 120.0 . . ? C127 C128 H128 120.0 . . ? C128 C129 C130 120.0 . . ? C128 C129 H129 120.0 . . ? C130 C129 H129 120.0 . . ? C131 C130 C129 120.0 . . ? C131 C130 H130 120.0 . . ? C129 C130 H130 120.0 . . ? C130 C131 C132 120.0 . . ? C130 C131 H131 120.0 . . ? C132 C131 H131 120.0 . . ? C131 C132 C127 120.0 . . ? C131 C132 H132 120.0 . . ? C127 C132 H132 120.0 . . ? C134 C133 C138 120.0 . . ? C134 C133 P3 122.0(5) . . ? C138 C133 P3 117.9(5) . . ? C133 C134 C135 120.0 . . ? C133 C134 H134 120.0 . . ? C135 C134 H134 120.0 . . ? C136 C135 C134 120.0 . . ? C136 C135 H135 120.0 . . ? C134 C135 H135 120.0 . . ? C135 C136 C137 120.0 . . ? C135 C136 H136 120.0 . . ? C137 C136 H136 120.0 . . ? C138 C137 C136 120.0 . . ? C138 C137 H137 120.0 . . ? C136 C137 H137 120.0 . . ? C137 C138 C133 120.0 . . ? C137 C138 H138 120.0 . . ? C133 C138 H138 120.0 . . ? C140 C139 C144 120.0 . . ? C140 C139 P4 121.1(6) . . ? C144 C139 P4 118.9(6) . . ? C139 C140 C141 120.0 . . ? C139 C140 H140 120.0 . . ? C141 C140 H140 120.0 . . ? C140 C141 C142 120.0 . . ? C140 C141 H141 120.0 . . ? C142 C141 H141 120.0 . . ? C143 C142 C141 120.0 . . ? C143 C142 H142 120.0 . . ? C141 C142 H142 120.0 . . ? C142 C143 C144 120.0 . . ? C142 C143 H143 120.0 . . ? C144 C143 H143 120.0 . . ? C143 C144 C139 120.0 . . ? C143 C144 H144 120.0 . . ? C139 C144 H144 120.0 . . ? C146 C145 C150 120.0 . . ? C146 C145 P4 121.2(7) . . ? C150 C145 P4 118.8(7) . . ? C147 C146 C145 120.0 . . ? C147 C146 H146 120.0 . . ? C145 C146 H146 120.0 . . ? C146 C147 C148 120.0 . . ? C146 C147 H147 120.0 . . ? C148 C147 H147 120.0 . . ? C147 C148 C149 120.0 . . ? C147 C148 H148 120.0 . . ? C149 C148 H148 120.0 . . ? C150 C149 C148 120.0 . . ? C150 C149 H149 120.0 . . ? C148 C149 H149 120.0 . . ? C149 C150 C145 120.0 . . ? C149 C150 H150 120.0 . . ? C145 C150 H150 120.0 . . ? C152 C151 C156 120.0 . . ? C152 C151 P5 122.1(4) . . ? C156 C151 P5 117.9(4) . . ? C153 C152 C151 120.0 . . ? C153 C152 H152 120.0 . . ? C151 C152 H152 120.0 . . ? C152 C153 C154 120.0 . . ? C152 C153 H153 120.0 . . ? C154 C153 H153 120.0 . . ? C155 C154 C153 120.0 . . ? C155 C154 P6 118.0(4) . . ? C153 C154 P6 122.0(4) . . ? C154 C155 C156 120.0 . . ? C154 C155 H155 120.0 . . ? C156 C155 H155 120.0 . . ? C155 C156 C151 120.0 . . ? C155 C156 H156 120.0 . . ? C151 C156 H156 120.0 . . ? C158 C157 C162 120.0 . . ? C158 C157 P5 119.0(5) . . ? C162 C157 P5 121.0(5) . . ? C159 C158 C157 120.0 . . ? C159 C158 H158 120.0 . . ? C157 C158 H158 120.0 . . ? C158 C159 C160 120.0 . . ? C158 C159 H159 120.0 . . ? C160 C159 H159 120.0 . . ? C161 C160 C159 120.0 . . ? C161 C160 H160 120.0 . . ? C159 C160 H160 120.0 . . ? C160 C161 C162 120.0 . . ? C160 C161 H161 120.0 . . ? C162 C161 H161 120.0 . . ? C161 C162 C157 120.0 . . ? C161 C162 H162 120.0 . . ? C157 C162 H162 120.0 . . ? C164 C163 C168 120.0 . . ? C164 C163 P5 118.3(5) . . ? C168 C163 P5 121.7(5) . . ? C165 C164 C163 120.0 . . ? C165 C164 H164 120.0 . . ? C163 C164 H164 120.0 . . ? C164 C165 C166 120.0 . . ? C164 C165 H165 120.0 . . ? C166 C165 H165 120.0 . . ? C165 C166 C167 120.0 . . ? C165 C166 H166 120.0 . . ? C167 C166 H166 120.0 . . ? C166 C167 C168 120.0 . . ? C166 C167 H167 120.0 . . ? C168 C167 H167 120.0 . . ? C167 C168 C163 120.0 . . ? C167 C168 H168 120.0 . . ? C163 C168 H168 120.0 . . ? C170 C169 C174 120.0 . . ? C170 C169 P6 117.9(5) . . ? C174 C169 P6 122.1(5) . . ? C171 C170 C169 120.0 . . ? C171 C170 H170 120.0 . . ? C169 C170 H170 120.0 . . ? C170 C171 C172 120.0 . . ? C170 C171 H171 120.0 . . ? C172 C171 H171 120.0 . . ? C171 C172 C173 120.0 . . ? C171 C172 H172 120.0 . . ? C173 C172 H172 120.0 . . ? C174 C173 C172 120.0 . . ? C174 C173 H173 120.0 . . ? C172 C173 H173 120.0 . . ? C173 C174 C169 120.0 . . ? C173 C174 H174 120.0 . . ? C169 C174 H174 120.0 . . ? C176 C175 C180 120.0 . . ? C176 C175 P6 121.7(5) . . ? C180 C175 P6 118.3(5) . . ? C177 C176 C175 120.0 . . ? C177 C176 H176 120.0 . . ? C175 C176 H176 120.0 . . ? C178 C177 C176 120.0 . . ? C178 C177 H177 120.0 . . ? C176 C177 H177 120.0 . . ? C177 C178 C179 120.0 . . ? C177 C178 H178 120.0 . . ? C179 C178 H178 120.0 . . ? C178 C179 C180 120.0 . . ? C178 C179 H179 120.0 . . ? C180 C179 H179 120.0 . . ? C179 C180 C175 120.0 . . ? C179 C180 H180 120.0 . . ? C175 C180 H180 120.0 . . ? C9 N1 C6 129.9(9) . . ? C9 N1 H1 115.1 . . ? C6 N1 H1 115.1 . . ? C9 N2 C10 130.4(10) . . ? C9 N2 H2 114.8 . . ? C10 N2 H2 114.8 . . ? C24 N3 C21 126.7(12) . . ? C24 N3 H3 116.7 . . ? C21 N3 H3 116.7 . . ? C25 N4 C24 129.6(12) . . ? C25 N4 H4A 115.2 . . ? C24 N4 H4A 115.2 . . ? C39 N5 C36 126.5(15) . . ? C39 N5 H5A 116.8 . . ? C36 N5 H5A 116.8 . . ? C39 N6 C40 128.8(15) . . ? C39 N6 H6 115.6 . . ? C40 N6 H6 115.6 . . ? C54 N7 C51 127.6(13) . . ? C54 N7 H7A 116.2 . . ? C51 N7 H7A 116.2 . . ? C54 N8 C55 124.4(15) . . ? C54 N8 H8A 117.8 . . ? C55 N8 H8A 117.8 . . ? C69 N9 C66 128.0(10) . . ? C69 N9 H9 116.0 . . ? C66 N9 H9 116.0 . . ? C69 N10 C70 127.6(11) . . ? C69 N10 H10 116.2 . . ? C70 N10 H10 116.2 . . ? C81 N11 C84 127.2(11) . . ? C81 N11 H11A 116.4 . . ? C84 N11 H11A 116.4 . . ? C84 N12 C85 123.3(14) . . ? C84 N12 H12A 118.3 . . ? C85 N12 H12A 118.3 . . ? C103 P1 C97 108.3(5) . . ? C103 P1 C91 103.8(4) . . ? C97 P1 C91 107.9(4) . . ? C103 P1 Au2 113.7(3) . . ? C97 P1 Au2 109.4(3) . . ? C91 P1 Au2 113.4(3) . . ? C115 P2 C94 104.8(4) . . ? C115 P2 C109 106.4(4) . . ? C94 P2 C109 105.6(4) . . ? C115 P2 Au4 114.4(3) . . ? C94 P2 Au4 114.7(2) . . ? C109 P2 Au4 110.3(3) . . ? C133 P3 C127 107.1(4) . . ? C133 P3 C121 105.7(4) . . ? C127 P3 C121 106.6(4) . . ? C133 P3 Au4 112.8(3) . . ? C127 P3 Au4 111.9(3) . . ? C121 P3 Au4 112.3(3) . . ? C139 P4 C145 108.4(5) . . ? C139 P4 C124 105.5(4) . . ? C145 P4 C124 105.9(4) . . ? C139 P4 Au6 111.9(3) . . ? C145 P4 Au6 109.9(3) . . ? C124 P4 Au6 114.8(3) . . ? C163 P5 C157 107.9(4) . . ? C163 P5 C151 106.5(4) . . ? C157 P5 C151 104.9(4) . . ? C163 P5 Au6 112.0(3) . . ? C157 P5 Au6 110.3(3) . . ? C151 P5 Au6 114.8(3) . . ? C175 P6 C169 107.9(4) . . ? C175 P6 C154 105.4(4) . . ? C169 P6 C154 106.4(3) . . ? C175 P6 Au2 112.5(3) . . ? C169 P6 Au2 110.1(3) . . ? C154 P6 Au2 114.1(3) . . ? F3 P7 F2 94.7(10) . . ? F3 P7 F5 177.9(11) . . ? F2 P7 F5 83.2(10) . . ? F3 P7 F4 87.7(12) . . ? F2 P7 F4 177.2(11) . . ? F5 P7 F4 94.3(13) . . ? F3 P7 F1 93.0(8) . . ? F2 P7 F1 91.8(9) . . ? F5 P7 F1 87.6(8) . . ? F4 P7 F1 86.7(9) . . ? F3 P7 F6 90.4(8) . . ? F2 P7 F6 90.8(10) . . ? F5 P7 F6 89.0(8) . . ? F4 P7 F6 90.5(9) . . ? F1 P7 F6 175.5(10) . . ? F11 P8 F9 175.9(10) . . ? F11 P8 F12 93.9(9) . . ? F9 P8 F12 86.9(10) . . ? F11 P8 F7 88.7(9) . . ? F9 P8 F7 90.5(10) . . ? F12 P8 F7 177.4(10) . . ? F11 P8 F8 95.4(9) . . ? F9 P8 F8 88.6(8) . . ? F12 P8 F8 88.1(7) . . ? F7 P8 F8 91.7(7) . . ? F11 P8 F10 84.7(8) . . ? F9 P8 F10 91.4(8) . . ? F12 P8 F10 90.4(7) . . ? F7 P8 F10 89.8(7) . . ? F8 P8 F10 178.5(7) . . ? C1 Cu1 C31 127.4(4) . . ? C1 Cu1 C61 118.6(4) . . ? C31 Cu1 C61 112.2(4) . . ? C1 Cu1 C32 122.6(4) . . ? C31 Cu1 C32 30.4(4) . . ? C61 Cu1 C32 115.7(4) . . ? C1 Cu1 C62 118.2(4) . . ? C31 Cu1 C62 112.4(4) . . ? C61 Cu1 C62 29.6(4) . . ? C32 Cu1 C62 100.2(4) . . ? C1 Cu1 Au1 45.9(3) . . ? C31 Cu1 Au1 108.4(4) . . ? C61 Cu1 Au1 105.8(3) . . ? C32 Cu1 Au1 129.9(3) . . ? C62 Cu1 Au1 128.9(3) . . ? C1 Cu1 Au3 112.6(3) . . ? C31 Cu1 Au3 42.4(3) . . ? C61 Cu1 Au3 100.7(3) . . ? C32 Cu1 Au3 72.8(3) . . ? C62 Cu1 Au3 121.9(3) . . ? Au1 Cu1 Au3 73.13(4) . . ? C1 Cu1 Au5 107.2(3) . . ? C31 Cu1 Au5 101.2(3) . . ? C61 Cu1 Au5 41.9(3) . . ? C32 Cu1 Au5 125.3(3) . . ? C62 Cu1 Au5 71.4(3) . . ? Au1 Cu1 Au5 71.56(4) . . ? Au3 Cu1 Au5 68.29(4) . . ? C76 Cu2 C16 123.3(4) . . ? C76 Cu2 C46 117.5(5) . . ? C16 Cu2 C46 118.4(4) . . ? C76 Cu2 C47 111.5(4) . . ? C16 Cu2 C47 121.6(4) . . ? C46 Cu2 C47 29.3(4) . . ? C76 Cu2 C17 125.3(4) . . ? C16 Cu2 C17 27.1(3) . . ? C46 Cu2 C17 113.6(4) . . ? C47 Cu2 C17 103.5(4) . . ? C76 Cu2 Au5 46.9(4) . . ? C16 Cu2 Au5 110.1(3) . . ? C46 Cu2 Au5 103.5(3) . . ? C47 Cu2 Au5 121.9(3) . . ? C17 Cu2 Au5 133.8(3) . . ? C76 Cu2 Au1 109.2(3) . . ? C16 Cu2 Au1 44.0(3) . . ? C46 Cu2 Au1 107.5(3) . . ? C47 Cu2 Au1 132.2(3) . . ? C17 Cu2 Au1 70.9(3) . . ? Au5 Cu2 Au1 72.35(4) . . ? C76 Cu2 Au3 108.8(4) . . ? C16 Cu2 Au3 105.1(3) . . ? C46 Cu2 Au3 43.1(3) . . ? C47 Cu2 Au3 72.3(3) . . ? C17 Cu2 Au3 121.4(3) . . ? Au5 Cu2 Au3 70.39(4) . . ? Au1 Cu2 Au3 71.73(4) . . ? C16 Au1 C1 170.0(4) . . ? C16 Au1 Cu1 142.6(3) . . ? C1 Au1 Cu1 47.4(3) . . ? C16 Au1 Au2 84.4(3) . . ? C1 Au1 Au2 85.6(3) . . ? Cu1 Au1 Au2 132.88(4) . . ? C16 Au1 Cu2 46.0(3) . . ? C1 Au1 Cu2 144.0(3) . . ? Cu1 Au1 Cu2 96.92(4) . . ? Au2 Au1 Cu2 130.20(3) . . ? C16 Au1 Au5 93.6(3) . . ? C1 Au1 Au5 95.3(3) . . ? Cu1 Au1 Au5 56.50(3) . . ? Au2 Au1 Au5 150.75(2) . . ? Cu2 Au1 Au5 52.62(3) . . ? C16 Au1 Au3 91.4(3) . . ? C1 Au1 Au3 97.3(3) . . ? Cu1 Au1 Au3 54.99(3) . . ? Au2 Au1 Au3 150.74(2) . . ? Cu2 Au1 Au3 54.29(3) . . ? Au5 Au1 Au3 58.271(19) . . ? P1 Au2 P6 167.30(10) . . ? P1 Au2 Au1 95.89(7) . . ? P6 Au2 Au1 96.54(7) . . ? C31 Au3 C46 172.7(4) . . ? C31 Au3 Au4 84.2(3) . . ? C46 Au3 Au4 88.6(3) . . ? C31 Au3 Cu2 140.3(3) . . ? C46 Au3 Cu2 46.9(3) . . ? Au4 Au3 Cu2 135.45(3) . . ? C31 Au3 Cu1 46.2(3) . . ? C46 Au3 Cu1 141.1(3) . . ? Au4 Au3 Cu1 130.23(4) . . ? Cu2 Au3 Cu1 94.15(4) . . ? C31 Au3 Au5 93.9(3) . . ? C46 Au3 Au5 91.6(3) . . ? Au4 Au3 Au5 150.68(2) . . ? Cu2 Au3 Au5 53.40(3) . . ? Cu1 Au3 Au5 56.58(3) . . ? C31 Au3 Au1 92.3(3) . . ? C46 Au3 Au1 94.6(3) . . ? Au4 Au3 Au1 148.81(2) . . ? Cu2 Au3 Au1 53.97(3) . . ? Cu1 Au3 Au1 51.88(3) . . ? Au5 Au3 Au1 60.37(2) . . ? P3 Au4 P2 167.60(10) . . ? P3 Au4 Au3 96.25(7) . . ? P2 Au4 Au3 95.24(6) . . ? C61 Au5 C76 171.0(4) . . ? C61 Au5 Cu2 141.2(3) . . ? C76 Au5 Cu2 47.2(3) . . ? C61 Au5 Au6 76.8(3) . . ? C76 Au5 Au6 94.6(3) . . ? Cu2 Au5 Au6 141.83(4) . . ? C61 Au5 Cu1 46.1(3) . . ? C76 Au5 Cu1 142.1(3) . . ? Cu2 Au5 Cu1 95.16(4) . . ? Au6 Au5 Cu1 122.71(4) . . ? C61 Au5 Au3 92.4(3) . . ? C76 Au5 Au3 96.4(3) . . ? Cu2 Au5 Au3 56.22(3) . . ? Au6 Au5 Au3 149.37(2) . . ? Cu1 Au5 Au3 55.13(3) . . ? C61 Au5 Au1 91.6(3) . . ? C76 Au5 Au1 94.2(3) . . ? Cu2 Au5 Au1 55.02(3) . . ? Au6 Au5 Au1 145.87(2) . . ? Cu1 Au5 Au1 51.94(3) . . ? Au3 Au5 Au1 61.356(17) . . ? P5 Au6 P4 165.78(10) . . ? P5 Au6 Au5 97.93(7) . . ? P4 Au6 Au5 96.28(7) . . ? O8 C182 C182 102(6) . 2_667 ? _diffrn_measured_fraction_theta_max 0.979 _diffrn_reflns_theta_full 25.68 _diffrn_measured_fraction_theta_full 0.979 _refine_diff_density_max 1.706 _refine_diff_density_min -1.980 _refine_diff_density_rms 0.157