# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2011 data_publication_text _journal_name_full Chem.Commun. _journal_coden_cambridge 0182 #TrackingRef 'SIPr-AuCO.cif' _publ_contact_author_name 'Rasika Dias' _publ_contact_author_address ;Department of Chemistry and Biochemistry The University of Texas at Arlington 700 Planetarium Place, Room 130 CPB Arlington, Texas 76019-0065, USA ; _publ_contact_author_email dias@uta.edu _publ_contact_author_phone 817-272-3813 _publ_contact_author_fax 817-272-3808 loop_ _publ_author_address ;Department of Chemistry and Biochemistry The University of Texas at Arlington 700 Planetarium Place, Room 130 CPB Arlington, Texas 76019-0065, USA ; _publ_author_name 'Rasika Dias' data_dias712_0m _database_code_depnum_ccdc_archive 'CCDC 807798' #TrackingRef 'SIPr-AuCO.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common '[(SIPr)AuCO][SbF6]' _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C30 H42 Au Cl4 F6 N2 O Sb' _chemical_formula_weight 1021.17 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sb Sb -0.5866 1.5461 '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' N N 0.0061 0.0033 '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 Monoclinic _symmetry_space_group_name_H-M Cc loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' _cell_length_a 22.123(3) _cell_length_b 10.7279(14) _cell_length_c 18.668(3) _cell_angle_alpha 90.00 _cell_angle_beta 122.014(1) _cell_angle_gamma 90.00 _cell_volume 3756.6(9) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9908 _cell_measurement_theta_min 2.19 _cell_measurement_theta_max 29.68 _exptl_crystal_description Prism _exptl_crystal_colour Colorless _exptl_crystal_size_max 0.42 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.806 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1984 _exptl_absorpt_coefficient_mu 4.960 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.2298 _exptl_absorpt_correction_T_max 0.6368 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 14835 _diffrn_reflns_av_R_equivalents 0.0202 _diffrn_reflns_av_sigmaI/netI 0.0582 _diffrn_reflns_limit_h_min -28 _diffrn_reflns_limit_h_max 28 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 2.17 _diffrn_reflns_theta_max 27.00 _reflns_number_total 7294 _reflns_number_gt 7068 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0205P)^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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.004(3) _refine_ls_number_reflns 7294 _refine_ls_number_parameters 414 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0282 _refine_ls_R_factor_gt 0.0271 _refine_ls_wR_factor_ref 0.0687 _refine_ls_wR_factor_gt 0.0677 _refine_ls_goodness_of_fit_ref 1.048 _refine_ls_restrained_S_all 1.048 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Au Au 0.702623(8) 0.945537(10) 0.602402(8) 0.02142(5) Uani 1 1 d . . . N1 N 0.7501(2) 0.6852(3) 0.6503(2) 0.0216(7) Uani 1 1 d . . . N2 N 0.7372(2) 0.7740(3) 0.7462(2) 0.0253(8) Uani 1 1 d . . . O O 0.6492(2) 1.1756(3) 0.4860(2) 0.0401(9) Uani 1 1 d . . . C1 C 0.6704(3) 1.0938(5) 0.5288(3) 0.0310(10) Uani 1 1 d . . . C2 C 0.7326(2) 0.7896(4) 0.6739(3) 0.0225(8) Uani 1 1 d . . . C3 C 0.7664(3) 0.5813(5) 0.7108(3) 0.0275(10) Uani 1 1 d . . . H3A H 0.8145 0.5465 0.7321 0.033 Uiso 1 1 calc R . . H3B H 0.7307 0.5137 0.6845 0.033 Uiso 1 1 calc R . . C4 C 0.7625(3) 0.6467(4) 0.7821(3) 0.0261(9) Uani 1 1 d . . . H4A H 0.7282 0.6044 0.7928 0.031 Uiso 1 1 calc R . . H4B H 0.8098 0.6497 0.8352 0.031 Uiso 1 1 calc R . . C5 C 0.7523(3) 0.6691(4) 0.5756(3) 0.0238(9) Uani 1 1 d . . . C6 C 0.6904(2) 0.6293(4) 0.5011(3) 0.0243(9) Uani 1 1 d . . . C7 C 0.6956(3) 0.6106(4) 0.4298(3) 0.0280(9) Uani 1 1 d . . . H7 H 0.6553 0.5820 0.3784 0.034 Uiso 1 1 calc R . . C8 C 0.7592(3) 0.6334(4) 0.4338(3) 0.0318(10) Uani 1 1 d . . . H8 H 0.7618 0.6200 0.3852 0.038 Uiso 1 1 calc R . . C9 C 0.8183(3) 0.6753(4) 0.5071(3) 0.0285(10) Uani 1 1 d . . . H9 H 0.8608 0.6927 0.5079 0.034 Uiso 1 1 calc R . . C10 C 0.8171(2) 0.6929(4) 0.5805(3) 0.0242(9) Uani 1 1 d . . . C11 C 0.6203(3) 0.6075(4) 0.4950(3) 0.0272(10) Uani 1 1 d . . . H11 H 0.6263 0.6330 0.5500 0.033 Uiso 1 1 calc R . . C12 C 0.5605(3) 0.6877(5) 0.4249(4) 0.0481(15) Uani 1 1 d . . . H12A H 0.5583 0.6735 0.3717 0.072 Uiso 1 1 calc R . . H12B H 0.5703 0.7760 0.4404 0.072 Uiso 1 1 calc R . . H12C H 0.5148 0.6648 0.4180 0.072 Uiso 1 1 calc R . . C13 C 0.6003(3) 0.4694(5) 0.4814(4) 0.0374(12) Uani 1 1 d . . . H13A H 0.6384 0.4206 0.5279 0.056 Uiso 1 1 calc R . . H13B H 0.5941 0.4420 0.4278 0.056 Uiso 1 1 calc R . . H13C H 0.5557 0.4570 0.4798 0.056 Uiso 1 1 calc R . . C14 C 0.8836(3) 0.7387(4) 0.6617(3) 0.0293(10) Uani 1 1 d . . . H14 H 0.8735 0.7371 0.7079 0.035 Uiso 1 1 calc R . . C15 C 0.9002(3) 0.8740(5) 0.6504(4) 0.0411(12) Uani 1 1 d . . . H15A H 0.9056 0.8789 0.6017 0.062 Uiso 1 1 calc R . . H15B H 0.9445 0.9009 0.7014 0.062 Uiso 1 1 calc R . . H15C H 0.8610 0.9283 0.6410 0.062 Uiso 1 1 calc R . . C16 C 0.9474(3) 0.6541(5) 0.6871(3) 0.0371(11) Uani 1 1 d . . . H16A H 0.9561 0.6501 0.6408 0.056 Uiso 1 1 calc R . . H16B H 0.9373 0.5702 0.6989 0.056 Uiso 1 1 calc R . . H16C H 0.9896 0.6876 0.7377 0.056 Uiso 1 1 calc R . . C17 C 0.7205(2) 0.8676(4) 0.7891(3) 0.0232(8) Uani 1 1 d . . . C18 C 0.6515(2) 0.8685(4) 0.7752(3) 0.0252(9) Uani 1 1 d . . . C19 C 0.6360(4) 0.9620(5) 0.8148(4) 0.0281(12) Uani 1 1 d . . . H19 H 0.5899 0.9654 0.8068 0.034 Uiso 1 1 calc R . . C20 C 0.6863(3) 1.0496(4) 0.8655(4) 0.0331(12) Uani 1 1 d . . . H20 H 0.6741 1.1135 0.8908 0.040 Uiso 1 1 calc R . . C21 C 0.7545(4) 1.0453(4) 0.8797(4) 0.0327(14) Uani 1 1 d . . . H21 H 0.7887 1.1060 0.9151 0.039 Uiso 1 1 calc R . . C22 C 0.7735(3) 0.9522(4) 0.8423(4) 0.0272(10) Uani 1 1 d . . . C23 C 0.5952(3) 0.7710(4) 0.7198(3) 0.0296(10) Uani 1 1 d . . . H23 H 0.6175 0.7108 0.6997 0.036 Uiso 1 1 calc R . . C24 C 0.5317(4) 0.8304(6) 0.6427(4) 0.0565(17) Uani 1 1 d . . . H24A H 0.5478 0.8726 0.6092 0.085 Uiso 1 1 calc R . . H24B H 0.5094 0.8911 0.6609 0.085 Uiso 1 1 calc R . . H24C H 0.4970 0.7657 0.6083 0.085 Uiso 1 1 calc R . . C25 C 0.5723(4) 0.6980(5) 0.7723(4) 0.0451(14) Uani 1 1 d . . . H25A H 0.5477 0.7541 0.7901 0.068 Uiso 1 1 calc R . . H25B H 0.6145 0.6629 0.8223 0.068 Uiso 1 1 calc R . . H25C H 0.5401 0.6303 0.7381 0.068 Uiso 1 1 calc R . . C26 C 0.8497(3) 0.9471(4) 0.8607(4) 0.0333(12) Uani 1 1 d . . . H26 H 0.8569 0.8639 0.8421 0.040 Uiso 1 1 calc R . . C27 C 0.8615(4) 1.0472(5) 0.8118(4) 0.0417(14) Uani 1 1 d . . . H27A H 0.8513 1.1292 0.8261 0.063 Uiso 1 1 calc R . . H27B H 0.8298 1.0323 0.7511 0.063 Uiso 1 1 calc R . . H27C H 0.9112 1.0447 0.8268 0.063 Uiso 1 1 calc R . . C28 C 0.9048(4) 0.9609(7) 0.9558(5) 0.0548(17) Uani 1 1 d . . . H28A H 0.8961 0.8972 0.9869 0.082 Uiso 1 1 calc R . . H28B H 0.9004 1.0439 0.9746 0.082 Uiso 1 1 calc R . . H28C H 0.9529 0.9505 0.9665 0.082 Uiso 1 1 calc R . . Sb Sb 0.951245(17) 0.56511(3) 0.42029(2) 0.03111(9) Uani 1 1 d . . . F1 F 0.85888(15) 0.6220(3) 0.34368(18) 0.0343(6) Uani 1 1 d . . . F2 F 0.9868(2) 0.6553(5) 0.3658(2) 0.0697(13) Uani 1 1 d . . . F3 F 0.9365(3) 0.4260(4) 0.3532(3) 0.0678(13) Uani 1 1 d . . . F4 F 0.91543(18) 0.4756(3) 0.4766(2) 0.0452(8) Uani 1 1 d . . . F5 F 0.9664(2) 0.7028(4) 0.4911(2) 0.0610(10) Uani 1 1 d . . . F6 F 1.04396(19) 0.5113(5) 0.4998(3) 0.0692(12) Uani 1 1 d . . . C29 C 0.3293(3) 0.1362(5) 0.0651(3) 0.0359(11) Uani 1 1 d . . . H29A H 0.3734 0.1054 0.0696 0.043 Uiso 1 1 calc R . . H29B H 0.2981 0.0634 0.0545 0.043 Uiso 1 1 calc R . . Cl1 Cl 0.28610(12) 0.23777(17) -0.02026(12) 0.0660(5) Uani 1 1 d . . . Cl2 Cl 0.35143(11) 0.20502(19) 0.16093(10) 0.0637(4) Uani 1 1 d . . . C30 C 0.6108(3) 0.2591(5) 0.6736(4) 0.0420(12) Uani 1 1 d . . . H30A H 0.6048 0.2034 0.7116 0.050 Uiso 1 1 calc R . . H30B H 0.5782 0.2302 0.6148 0.050 Uiso 1 1 calc R . . Cl3 Cl 0.69918(7) 0.25035(11) 0.69856(8) 0.0370(3) Uani 1 1 d . . . Cl4 Cl 0.58829(8) 0.41448(15) 0.68410(10) 0.0452(3) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Au 0.02914(9) 0.01315(7) 0.02437(8) 0.00228(7) 0.01581(7) 0.00261(7) N1 0.0303(19) 0.0140(15) 0.0255(18) -0.0002(13) 0.0183(16) 0.0027(13) N2 0.041(2) 0.0155(16) 0.0264(18) 0.0034(14) 0.0227(17) 0.0082(15) O 0.060(2) 0.0187(16) 0.041(2) 0.0104(14) 0.0261(19) 0.0048(15) C1 0.042(3) 0.022(2) 0.036(3) -0.002(2) 0.025(2) 0.001(2) C2 0.026(2) 0.0180(19) 0.026(2) 0.0019(16) 0.0155(19) 0.0044(16) C3 0.046(3) 0.0171(18) 0.027(2) 0.0012(18) 0.024(2) 0.001(2) C4 0.037(3) 0.0174(19) 0.029(2) 0.0037(16) 0.020(2) 0.0055(17) C5 0.037(2) 0.0127(17) 0.026(2) 0.0037(15) 0.0197(19) 0.0065(16) C6 0.034(2) 0.0124(17) 0.029(2) 0.0009(15) 0.0185(19) 0.0063(16) C7 0.042(3) 0.016(2) 0.022(2) 0.0012(16) 0.015(2) 0.0043(17) C8 0.051(3) 0.021(2) 0.032(2) 0.0027(18) 0.029(2) 0.0054(19) C9 0.043(3) 0.015(2) 0.037(3) 0.0025(17) 0.028(2) 0.0034(17) C10 0.035(2) 0.0137(18) 0.028(2) 0.0008(15) 0.020(2) 0.0019(16) C11 0.032(3) 0.018(2) 0.032(2) -0.0040(18) 0.018(2) -0.0007(18) C12 0.034(3) 0.036(3) 0.069(4) 0.018(3) 0.023(3) 0.010(2) C13 0.048(3) 0.023(2) 0.048(3) 0.001(2) 0.030(3) -0.001(2) C14 0.037(3) 0.025(2) 0.032(2) -0.0036(18) 0.023(2) -0.0033(18) C15 0.046(3) 0.026(2) 0.051(3) -0.003(2) 0.025(3) -0.007(2) C16 0.039(3) 0.033(3) 0.038(3) -0.002(2) 0.020(2) -0.001(2) C17 0.038(2) 0.0146(18) 0.0207(19) 0.0019(15) 0.0178(19) 0.0064(16) C18 0.035(3) 0.0191(19) 0.023(2) 0.0036(16) 0.0166(19) 0.0074(17) C19 0.039(3) 0.024(2) 0.030(3) 0.0052(19) 0.024(3) 0.009(2) C20 0.052(4) 0.018(2) 0.039(3) -0.0008(16) 0.031(3) 0.0078(18) C21 0.041(4) 0.020(3) 0.037(3) -0.0032(18) 0.021(3) 0.0030(18) C22 0.037(3) 0.018(2) 0.033(3) 0.0026(16) 0.023(2) 0.0051(16) C23 0.034(3) 0.027(2) 0.033(2) 0.0027(19) 0.021(2) 0.0042(19) C24 0.043(3) 0.048(3) 0.047(4) 0.004(3) 0.003(3) 0.002(3) C25 0.067(4) 0.031(3) 0.052(4) -0.007(2) 0.041(3) -0.011(3) C26 0.033(3) 0.026(3) 0.042(3) -0.0041(17) 0.021(3) 0.0021(17) C27 0.040(4) 0.043(3) 0.045(3) -0.005(2) 0.024(3) -0.009(2) C28 0.039(4) 0.075(5) 0.047(4) 0.007(3) 0.021(3) 0.005(3) Sb 0.02261(18) 0.0416(2) 0.02532(17) 0.00438(12) 0.01011(15) 0.00055(12) F1 0.0303(15) 0.0348(15) 0.0313(14) 0.0025(12) 0.0119(12) 0.0052(11) F2 0.041(2) 0.115(4) 0.056(2) 0.038(2) 0.0278(18) -0.001(2) F3 0.066(3) 0.065(3) 0.070(3) -0.014(2) 0.034(2) 0.026(2) F4 0.0380(18) 0.0489(17) 0.0508(19) 0.0143(16) 0.0250(16) 0.0002(15) F5 0.065(2) 0.061(2) 0.044(2) -0.0180(17) 0.0196(18) -0.0263(19) F6 0.0263(18) 0.110(3) 0.057(2) 0.040(3) 0.0124(17) 0.011(2) C29 0.045(3) 0.026(2) 0.036(3) 0.003(2) 0.021(2) 0.002(2) Cl1 0.0991(14) 0.0632(10) 0.0527(9) 0.0318(8) 0.0517(10) 0.0473(10) Cl2 0.0767(12) 0.0776(12) 0.0392(8) -0.0163(8) 0.0323(8) -0.0079(9) C30 0.043(3) 0.031(3) 0.049(3) -0.009(2) 0.022(3) -0.010(2) Cl3 0.0389(7) 0.0274(5) 0.0425(7) -0.0014(5) 0.0201(6) 0.0021(5) Cl4 0.0447(8) 0.0417(7) 0.0503(8) -0.0047(6) 0.0259(7) 0.0071(6) _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 Au C1 1.971(5) . ? Au C2 2.020(4) . ? N1 C2 1.334(5) . ? N1 C5 1.430(6) . ? N1 C3 1.488(6) . ? N2 C2 1.310(6) . ? N2 C17 1.450(5) . ? N2 C4 1.493(5) . ? O C1 1.110(6) . ? C3 C4 1.548(6) . ? C3 H3A 0.9900 . ? C3 H3B 0.9900 . ? C4 H4A 0.9900 . ? C4 H4B 0.9900 . ? C5 C6 1.404(6) . ? C5 C10 1.411(7) . ? C6 C7 1.411(6) . ? C6 C11 1.513(7) . ? C7 C8 1.389(7) . ? C7 H7 0.9500 . ? C8 C9 1.374(7) . ? C8 H8 0.9500 . ? C9 C10 1.397(6) . ? C9 H9 0.9500 . ? C10 C14 1.529(7) . ? C11 C13 1.528(7) . ? C11 C12 1.539(7) . ? C11 H11 1.0000 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 C16 1.527(7) . ? C14 C15 1.538(7) . ? C14 H14 1.0000 . ? C15 H15A 0.9800 . ? C15 H15B 0.9800 . ? C15 H15C 0.9800 . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? C17 C22 1.397(7) . ? C17 C18 1.405(7) . ? C18 C19 1.393(7) . ? C18 C23 1.533(7) . ? C19 C20 1.378(8) . ? C19 H19 0.9500 . ? C20 C21 1.389(9) . ? C20 H20 0.9500 . ? C21 C22 1.405(7) . ? C21 H21 0.9500 . ? C22 C26 1.532(8) . ? C23 C24 1.518(7) . ? C23 C25 1.535(7) . ? C23 H23 1.0000 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C25 H25C 0.9800 . ? C26 C27 1.519(8) . ? C26 C28 1.538(9) . ? C26 H26 1.0000 . ? C27 H27A 0.9800 . ? C27 H27B 0.9800 . ? C27 H27C 0.9800 . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? Sb F2 1.855(3) . ? Sb F3 1.862(4) . ? Sb F1 1.869(3) . ? Sb F6 1.875(4) . ? Sb F4 1.881(3) . ? Sb F5 1.889(4) . ? C29 Cl1 1.739(5) . ? C29 Cl2 1.749(6) . ? C29 H29A 0.9900 . ? C29 H29B 0.9900 . ? C30 Cl3 1.755(6) . ? C30 Cl4 1.781(6) . ? C30 H30A 0.9900 . ? C30 H30B 0.9900 . ? 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 C1 Au C2 177.7(2) . . ? C2 N1 C5 126.0(4) . . ? C2 N1 C3 112.0(4) . . ? C5 N1 C3 121.9(3) . . ? C2 N2 C17 125.2(4) . . ? C2 N2 C4 112.7(3) . . ? C17 N2 C4 122.1(3) . . ? O C1 Au 177.0(5) . . ? N2 C2 N1 110.8(4) . . ? N2 C2 Au 127.3(3) . . ? N1 C2 Au 121.9(3) . . ? N1 C3 C4 102.2(3) . . ? N1 C3 H3A 111.3 . . ? C4 C3 H3A 111.3 . . ? N1 C3 H3B 111.3 . . ? C4 C3 H3B 111.3 . . ? H3A C3 H3B 109.2 . . ? N2 C4 C3 101.9(3) . . ? N2 C4 H4A 111.4 . . ? C3 C4 H4A 111.4 . . ? N2 C4 H4B 111.4 . . ? C3 C4 H4B 111.4 . . ? H4A C4 H4B 109.2 . . ? C6 C5 C10 122.8(4) . . ? C6 C5 N1 118.9(4) . . ? C10 C5 N1 118.3(4) . . ? C5 C6 C7 117.0(4) . . ? C5 C6 C11 122.9(4) . . ? C7 C6 C11 120.0(4) . . ? C8 C7 C6 120.7(4) . . ? C8 C7 H7 119.6 . . ? C6 C7 H7 119.6 . . ? C9 C8 C7 120.9(4) . . ? C9 C8 H8 119.6 . . ? C7 C8 H8 119.6 . . ? C8 C9 C10 121.2(5) . . ? C8 C9 H9 119.4 . . ? C10 C9 H9 119.4 . . ? C9 C10 C5 117.4(4) . . ? C9 C10 C14 120.5(4) . . ? C5 C10 C14 122.1(4) . . ? C6 C11 C13 110.9(4) . . ? C6 C11 C12 111.2(4) . . ? C13 C11 C12 111.0(4) . . ? C6 C11 H11 107.9 . . ? C13 C11 H11 107.9 . . ? C12 C11 H11 107.9 . . ? C11 C12 H12A 109.5 . . ? C11 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C11 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C11 C13 H13A 109.5 . . ? C11 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C11 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C16 C14 C10 111.2(4) . . ? C16 C14 C15 110.8(4) . . ? C10 C14 C15 110.0(4) . . ? C16 C14 H14 108.3 . . ? C10 C14 H14 108.3 . . ? C15 C14 H14 108.3 . . ? C14 C15 H15A 109.5 . . ? C14 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C14 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? C14 C16 H16A 109.5 . . ? C14 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? C14 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C22 C17 C18 123.2(4) . . ? C22 C17 N2 118.6(4) . . ? C18 C17 N2 118.2(4) . . ? C19 C18 C17 117.1(5) . . ? C19 C18 C23 120.6(5) . . ? C17 C18 C23 122.3(4) . . ? C20 C19 C18 121.3(6) . . ? C20 C19 H19 119.3 . . ? C18 C19 H19 119.3 . . ? C19 C20 C21 120.6(5) . . ? C19 C20 H20 119.7 . . ? C21 C20 H20 119.7 . . ? C20 C21 C22 120.7(5) . . ? C20 C21 H21 119.7 . . ? C22 C21 H21 119.7 . . ? C17 C22 C21 117.1(5) . . ? C17 C22 C26 123.1(4) . . ? C21 C22 C26 119.9(5) . . ? C24 C23 C18 111.4(4) . . ? C24 C23 C25 111.5(5) . . ? C18 C23 C25 110.1(4) . . ? C24 C23 H23 107.9 . . ? C18 C23 H23 107.9 . . ? C25 C23 H23 107.9 . . ? C23 C24 H24A 109.5 . . ? C23 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C23 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C23 C25 H25A 109.5 . . ? C23 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? C23 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? C27 C26 C22 111.1(5) . . ? C27 C26 C28 110.0(5) . . ? C22 C26 C28 111.0(5) . . ? C27 C26 H26 108.2 . . ? C22 C26 H26 108.2 . . ? C28 C26 H26 108.2 . . ? C26 C27 H27A 109.5 . . ? C26 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? C26 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? C26 C28 H28A 109.5 . . ? C26 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C26 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? F2 Sb F3 91.3(2) . . ? F2 Sb F1 91.12(15) . . ? F3 Sb F1 90.94(17) . . ? F2 Sb F6 89.49(17) . . ? F3 Sb F6 90.8(2) . . ? F1 Sb F6 178.2(2) . . ? F2 Sb F4 179.2(2) . . ? F3 Sb F4 89.5(2) . . ? F1 Sb F4 88.89(14) . . ? F6 Sb F4 90.48(16) . . ? F2 Sb F5 90.3(2) . . ? F3 Sb F5 178.2(2) . . ? F1 Sb F5 89.82(16) . . ? F6 Sb F5 88.4(2) . . ? F4 Sb F5 88.85(18) . . ? Cl1 C29 Cl2 113.1(3) . . ? Cl1 C29 H29A 109.0 . . ? Cl2 C29 H29A 109.0 . . ? Cl1 C29 H29B 109.0 . . ? Cl2 C29 H29B 109.0 . . ? H29A C29 H29B 107.8 . . ? Cl3 C30 Cl4 111.0(3) . . ? Cl3 C30 H30A 109.4 . . ? Cl4 C30 H30A 109.4 . . ? Cl3 C30 H30B 109.4 . . ? Cl4 C30 H30B 109.4 . . ? H30A C30 H30B 108.0 . . ? _diffrn_measured_fraction_theta_max 0.993 _diffrn_reflns_theta_full 27.00 _diffrn_measured_fraction_theta_full 0.993 _refine_diff_density_max 2.364 _refine_diff_density_min -1.511 _refine_diff_density_rms 0.123