# Electronic Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 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_karn19 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C30 H20 Au B F4 N2' _chemical_formula_weight 692.26 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' B B 0.0013 0.0007 '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' Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 15.2230(3) _cell_length_b 7.6173(2) _cell_length_c 20.9299(4) _cell_angle_alpha 90.00 _cell_angle_beta 93.8440(10) _cell_angle_gamma 90.00 _cell_volume 2421.53(9) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 9906 _cell_measurement_theta_min 2.68 _cell_measurement_theta_max 27.10 _exptl_crystal_description NEEDLE _exptl_crystal_colour colourless _exptl_crystal_size_max 0.50 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas 0 _exptl_crystal_density_diffrn 1.899 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1336 _exptl_absorpt_coefficient_mu 6.130 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.3707 _exptl_absorpt_correction_T_max 0.7456 _exptl_absorpt_process_details 'SAINT ver 7.34; Bruker SADABS' _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(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 APEXII CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 28180 _diffrn_reflns_av_R_equivalents 0.0657 _diffrn_reflns_av_sigmaI/netI 0.0492 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 1.60 _diffrn_reflns_theta_max 27.51 _reflns_number_total 5427 _reflns_number_gt 4521 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker APEXII' _computing_cell_refinement 'Bruker APEXII' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.0482P)^2^+58.2274P] 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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5427 _refine_ls_number_parameters 363 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0628 _refine_ls_R_factor_gt 0.0529 _refine_ls_wR_factor_ref 0.1627 _refine_ls_wR_factor_gt 0.1556 _refine_ls_goodness_of_fit_ref 1.003 _refine_ls_restrained_S_all 1.003 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Au1 Au 0.182594(8) 0.983656(18) 0.268413(7) 0.03408(3) Uani 1 1 d . . . N1 N 0.0722(2) 0.8979(4) 0.20465(14) 0.0366(8) Uani 1 1 d . . . N2 N 0.1307(2) 1.0732(4) 0.35685(15) 0.0387(8) Uani 1 1 d . . . C1 C 0.0902(2) 0.8968(5) 0.14266(17) 0.0379(10) Uani 1 1 d . . . C2 C 0.0273(3) 0.8475(7) 0.09334(19) 0.0538(13) Uani 1 1 d . . . H2A H 0.0396 0.8521 0.0504 0.065 Uiso 1 1 calc R . . C3 C -0.0529(3) 0.7926(8) 0.1119(2) 0.0635(15) Uani 1 1 d . . . H3A H -0.0967 0.7659 0.0803 0.076 Uiso 1 1 calc R . . C4 C -0.0723(3) 0.7746(6) 0.1760(2) 0.0482(12) Uani 1 1 d . . . C5 C -0.1528(3) 0.7093(7) 0.1951(3) 0.0623(15) Uani 1 1 d . . . H5A H -0.1958 0.6736 0.1641 0.075 Uiso 1 1 calc R . . C6 C -0.1687(3) 0.6977(8) 0.2569(3) 0.0679(17) Uani 1 1 d . . . H6A H -0.2236 0.6603 0.2684 0.081 Uiso 1 1 calc R . . C7 C -0.1023(3) 0.7421(7) 0.3055(2) 0.0546(13) Uani 1 1 d . . . H7A H -0.104(3) 0.716(6) 0.346(2) 0.047(12) Uiso 1 1 d . . . C8 C -0.0217(3) 0.8044(5) 0.28669(19) 0.0414(10) Uani 1 1 d . . . H8A H 0.0230 0.8312 0.3176 0.050 Uiso 1 1 calc R . . C9 C -0.0076(2) 0.8268(5) 0.2225(2) 0.0406(10) Uani 1 1 d . . . C10 C 0.1787(3) 0.9533(6) 0.1315(2) 0.0473(11) Uani 1 1 d . . . C11 C 0.2391(3) 0.9859(5) 0.1825(2) 0.0477(11) Uani 1 1 d . . . C12 C 0.3227(3) 1.0503(6) 0.1731(2) 0.0475(11) Uani 1 1 d . . . H12A H 0.3616 1.0780 0.2078 0.057 Uiso 1 1 calc R . . C13 C 0.3467(3) 1.0720(7) 0.1118(2) 0.0561(13) Uani 1 1 d . . . H13A H 0.4022 1.1170 0.1051 0.067 Uiso 1 1 calc R . . C14 C 0.2916(3) 1.0294(7) 0.0603(2) 0.0575(14) Uani 1 1 d . . . H14A H 0.3101 1.0365 0.0190 0.069 Uiso 1 1 calc R . . C15 C 0.2063(4) 0.9746(7) 0.0713(2) 0.0594(14) Uani 1 1 d . . . H15A H 0.1670 0.9519 0.0364 0.071 Uiso 1 1 calc R . . C16 C 0.1879(3) 1.0541(5) 0.4072(2) 0.0413(10) Uani 1 1 d . . . C17 C 0.1641(3) 1.0876(8) 0.4698(2) 0.0615(15) Uani 1 1 d . . . H17A H 0.2026 1.0643 0.5052 0.074 Uiso 1 1 calc R . . C18 C 0.0837(4) 1.1544(8) 0.4764(2) 0.0622(15) Uani 1 1 d . . . H18A H 0.071(3) 1.164(6) 0.5254(19) 0.041(11) Uiso 1 1 d . . . C19 C 0.0255(3) 1.1954(6) 0.4259(2) 0.0500(12) Uani 1 1 d . . . C20 C -0.0589(3) 1.2823(8) 0.4284(2) 0.0646(16) Uani 1 1 d . . . H20A H -0.0775 1.3119 0.4684 0.078 Uiso 1 1 calc R . . C21 C -0.1102(3) 1.3215(7) 0.3781(3) 0.0634(15) Uani 1 1 d . . . H21A H -0.178(2) 1.366(4) 0.3735(15) 0.016(8) Uiso 1 1 d . . . C22 C -0.0846(3) 1.2774(6) 0.3166(2) 0.0514(12) Uani 1 1 d . . . H22A H -0.1217 1.3040 0.2807 0.062 Uiso 1 1 calc R . . C23 C -0.0047(2) 1.1948(5) 0.3089(2) 0.0428(10) Uani 1 1 d . . . H23A H 0.0126 1.1675 0.2683 0.051 Uiso 1 1 calc R . . C24 C 0.0487(2) 1.1539(5) 0.36305(17) 0.0360(9) Uani 1 1 d . . . C25 C 0.2770(3) 0.9876(6) 0.3946(2) 0.0454(11) Uani 1 1 d . . . C26 C 0.2922(3) 0.9691(6) 0.3299(2) 0.0434(11) Uani 1 1 d . . . C27 C 0.3738(3) 0.9064(6) 0.3125(2) 0.0538(13) Uani 1 1 d . . . H27A H 0.378(2) 0.891(4) 0.2757(14) 0.013(7) Uiso 1 1 d . . . C28 C 0.4392(3) 0.8713(7) 0.3619(3) 0.0587(14) Uani 1 1 d . . . H28A H 0.4937 0.8287 0.3516 0.070 Uiso 1 1 calc R . . C29 C 0.4236(3) 0.8984(7) 0.4232(3) 0.0652(16) Uani 1 1 d . . . H29A H 0.4685 0.8804 0.4549 0.078 Uiso 1 1 calc R . . C30 C 0.3426(3) 0.9524(8) 0.4402(3) 0.0634(16) Uani 1 1 d . . . H30A H 0.334(3) 0.981(5) 0.486(2) 0.035(11) Uiso 1 1 d . . . B1 B 0.1756(4) 0.7798(9) -0.1036(3) 0.0565(16) Uani 1 1 d . . . F1 F 0.2134(4) 0.6117(7) -0.0987(2) 0.158(2) Uani 1 1 d . . . F2 F 0.1152(2) 0.7786(7) -0.05891(16) 0.1144(16) Uani 1 1 d . . . F3 F 0.2388(3) 0.8950(6) -0.08822(19) 0.1185(14) Uani 1 1 d . . . F4 F 0.1384(2) 0.7998(5) -0.16347(13) 0.0819(12) 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 Au1 0.02696(6) 0.03429(6) 0.04168(7) -0.00543(5) 0.00737(5) 0.00072(5) N1 0.0327(14) 0.0390(15) 0.0373(14) -0.0103(13) -0.0040(12) 0.0025(13) N2 0.0436(15) 0.0304(14) 0.0436(15) -0.0032(13) 0.0143(13) 0.0071(13) C1 0.0382(17) 0.0427(19) 0.0325(16) 0.0019(15) 0.0003(14) -0.0034(16) C2 0.049(2) 0.080(3) 0.0331(17) -0.0187(19) 0.0012(17) -0.003(2) C3 0.046(2) 0.090(3) 0.054(2) -0.003(3) -0.008(2) -0.018(2) C4 0.0312(17) 0.052(2) 0.061(2) -0.005(2) 0.0034(17) -0.0011(17) C5 0.0286(18) 0.075(3) 0.082(3) -0.017(3) -0.002(2) -0.008(2) C6 0.038(2) 0.070(3) 0.097(4) 0.000(3) 0.013(2) -0.006(2) C7 0.042(2) 0.062(3) 0.061(2) 0.011(2) 0.0108(19) -0.009(2) C8 0.0375(18) 0.0414(19) 0.0456(19) 0.0011(16) 0.0056(16) 0.0001(16) C9 0.0244(15) 0.0425(19) 0.055(2) 0.0018(17) 0.0039(15) 0.0090(14) C10 0.047(2) 0.0378(19) 0.059(2) 0.0003(18) 0.0211(17) 0.0011(17) C11 0.0455(18) 0.0423(19) 0.059(2) -0.0158(16) 0.0287(16) 0.0024(16) C12 0.0426(19) 0.046(2) 0.054(2) -0.0198(17) 0.0062(17) 0.0022(18) C13 0.050(2) 0.056(2) 0.065(2) -0.006(2) 0.0270(18) -0.006(2) C14 0.062(2) 0.072(3) 0.042(2) -0.007(2) 0.0238(18) -0.011(2) C15 0.068(3) 0.063(3) 0.050(2) -0.012(2) 0.020(2) -0.005(2) C16 0.0353(17) 0.0406(18) 0.048(2) 0.0029(17) 0.0061(16) 0.0007(16) C17 0.049(2) 0.083(3) 0.052(2) -0.003(2) 0.004(2) -0.007(3) C18 0.069(3) 0.078(3) 0.042(2) -0.005(2) 0.015(2) 0.002(3) C19 0.051(2) 0.054(2) 0.048(2) 0.0007(18) 0.0199(17) 0.005(2) C20 0.051(2) 0.089(4) 0.055(2) -0.012(2) 0.020(2) 0.006(3) C21 0.049(2) 0.069(3) 0.074(3) -0.018(2) 0.016(2) 0.014(2) C22 0.0368(18) 0.051(2) 0.068(3) -0.004(2) 0.0150(18) 0.0121(17) C23 0.0355(17) 0.0424(19) 0.053(2) -0.0122(16) 0.0182(15) 0.0022(16) C24 0.0304(15) 0.0388(17) 0.0403(17) -0.0059(15) 0.0140(13) -0.0044(14) C25 0.0409(19) 0.050(2) 0.046(2) -0.0031(17) 0.0051(17) -0.0030(17) C26 0.0282(16) 0.047(2) 0.054(2) 0.0007(18) -0.0023(16) -0.0010(16) C27 0.0364(18) 0.053(2) 0.073(3) -0.004(2) 0.0144(19) 0.0060(19) C28 0.0315(19) 0.056(3) 0.088(3) -0.002(3) -0.002(2) 0.0054(19) C29 0.041(2) 0.067(3) 0.085(3) 0.003(3) -0.015(2) 0.002(2) C30 0.041(2) 0.069(3) 0.080(3) -0.006(3) 0.000(2) 0.007(2) B1 0.049(3) 0.074(3) 0.046(2) 0.005(2) -0.001(2) -0.006(3) F1 0.253(5) 0.124(3) 0.088(2) -0.015(3) -0.062(3) 0.064(4) F2 0.0801(19) 0.201(4) 0.0650(18) -0.013(2) 0.0239(16) -0.057(2) F3 0.108(2) 0.157(3) 0.091(2) -0.007(2) 0.010(2) -0.084(2) F4 0.0723(18) 0.132(3) 0.0403(13) 0.0006(17) -0.0028(13) -0.020(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Au1 C26 2.041(4) . ? Au1 C11 2.046(4) . ? Au1 N2 2.171(3) . ? Au1 N1 2.175(3) . ? N1 C1 1.344(5) . ? N1 C9 1.403(5) . ? N2 C16 1.329(5) . ? N2 C24 1.404(5) . ? C1 C2 1.411(5) . ? C1 C10 1.448(6) . ? C2 C3 1.371(7) . ? C2 H2A 0.9300 . ? C3 C4 1.400(7) . ? C3 H3A 0.9300 . ? C4 C9 1.395(6) . ? C4 C5 1.406(6) . ? C5 C6 1.335(8) . ? C5 H5A 0.9300 . ? C6 C7 1.425(7) . ? C6 H6A 0.9300 . ? C7 C8 1.397(6) . ? C7 H7A 0.88(4) . ? C8 C9 1.385(6) . ? C8 H8A 0.9300 . ? C10 C15 1.364(7) . ? C10 C11 1.383(6) . ? C11 C12 1.390(6) . ? C12 C13 1.368(7) . ? C12 H12A 0.9300 . ? C13 C14 1.360(7) . ? C13 H13A 0.9300 . ? C14 C15 1.397(7) . ? C14 H14A 0.9300 . ? C15 H15A 0.9300 . ? C16 C17 1.407(6) . ? C16 C25 1.488(6) . ? C17 C18 1.340(7) . ? C17 H17A 0.9300 . ? C18 C19 1.370(6) . ? C18 H18A 1.06(4) . ? C19 C24 1.420(6) . ? C19 C20 1.449(7) . ? C20 C21 1.302(7) . ? C20 H20A 0.9300 . ? C21 C22 1.412(7) . ? C21 H21A 1.08(3) . ? C22 C23 1.389(6) . ? C22 H22A 0.9300 . ? C23 C24 1.385(5) . ? C23 H23A 0.9300 . ? C25 C30 1.361(7) . ? C25 C26 1.396(6) . ? C26 C27 1.401(6) . ? C27 C28 1.412(7) . ? C27 H27A 0.79(3) . ? C28 C29 1.337(8) . ? C28 H28A 0.9300 . ? C29 C30 1.370(7) . ? C29 H29A 0.9300 . ? C30 H30A 1.00(4) . ? B1 F3 1.326(7) . ? B1 F4 1.349(6) . ? B1 F2 1.354(7) . ? B1 F1 1.405(8) . ? 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 C26 Au1 C11 100.43(17) . . ? C26 Au1 N2 78.94(15) . . ? C11 Au1 N2 161.07(14) . . ? C26 Au1 N1 159.39(15) . . ? C11 Au1 N1 79.41(14) . . ? N2 Au1 N1 107.87(12) . . ? C1 N1 C9 119.4(3) . . ? C1 N1 Au1 113.3(2) . . ? C9 N1 Au1 126.8(2) . . ? C16 N2 C24 120.9(3) . . ? C16 N2 Au1 112.6(3) . . ? C24 N2 Au1 126.4(2) . . ? N1 C1 C2 122.4(4) . . ? N1 C1 C10 114.0(3) . . ? C2 C1 C10 123.7(4) . . ? C3 C2 C1 116.6(4) . . ? C3 C2 H2A 121.7 . . ? C1 C2 H2A 121.7 . . ? C2 C3 C4 123.4(4) . . ? C2 C3 H3A 118.3 . . ? C4 C3 H3A 118.3 . . ? C9 C4 C3 117.2(4) . . ? C9 C4 C5 119.4(4) . . ? C3 C4 C5 123.4(4) . . ? C6 C5 C4 121.1(5) . . ? C6 C5 H5A 119.5 . . ? C4 C5 H5A 119.5 . . ? C5 C6 C7 120.7(5) . . ? C5 C6 H6A 119.7 . . ? C7 C6 H6A 119.7 . . ? C8 C7 C6 118.3(4) . . ? C8 C7 H7A 116(3) . . ? C6 C7 H7A 125(3) . . ? C9 C8 C7 120.8(4) . . ? C9 C8 H8A 119.6 . . ? C7 C8 H8A 119.6 . . ? C8 C9 C4 119.6(4) . . ? C8 C9 N1 120.0(3) . . ? C4 C9 N1 120.5(4) . . ? C15 C10 C11 117.4(4) . . ? C15 C10 C1 122.1(4) . . ? C11 C10 C1 120.5(4) . . ? C10 C11 C12 121.5(4) . . ? C10 C11 Au1 112.3(3) . . ? C12 C11 Au1 124.7(3) . . ? C13 C12 C11 118.6(4) . . ? C13 C12 H12A 120.7 . . ? C11 C12 H12A 120.7 . . ? C14 C13 C12 121.6(4) . . ? C14 C13 H13A 119.2 . . ? C12 C13 H13A 119.2 . . ? C13 C14 C15 118.2(4) . . ? C13 C14 H14A 120.9 . . ? C15 C14 H14A 120.9 . . ? C10 C15 C14 122.3(4) . . ? C10 C15 H15A 118.8 . . ? C14 C15 H15A 118.8 . . ? N2 C16 C17 121.5(4) . . ? N2 C16 C25 117.0(4) . . ? C17 C16 C25 121.4(4) . . ? C18 C17 C16 117.3(4) . . ? C18 C17 H17A 121.4 . . ? C16 C17 H17A 121.4 . . ? C17 C18 C19 123.7(4) . . ? C17 C18 H18A 111(2) . . ? C19 C18 H18A 125(2) . . ? C18 C19 C24 118.4(4) . . ? C18 C19 C20 127.3(4) . . ? C24 C19 C20 114.3(4) . . ? C21 C20 C19 124.1(5) . . ? C21 C20 H20A 118.0 . . ? C19 C20 H20A 118.0 . . ? C20 C21 C22 119.7(5) . . ? C20 C21 H21A 131.3(17) . . ? C22 C21 H21A 108.1(17) . . ? C23 C22 C21 120.7(4) . . ? C23 C22 H22A 119.6 . . ? C21 C22 H22A 119.6 . . ? C24 C23 C22 118.5(4) . . ? C24 C23 H23A 120.7 . . ? C22 C23 H23A 120.7 . . ? C23 C24 N2 119.9(3) . . ? C23 C24 C19 122.6(4) . . ? N2 C24 C19 117.4(3) . . ? C30 C25 C26 119.9(4) . . ? C30 C25 C16 125.3(4) . . ? C26 C25 C16 114.7(4) . . ? C25 C26 C27 119.6(4) . . ? C25 C26 Au1 115.1(3) . . ? C27 C26 Au1 123.7(3) . . ? C26 C27 C28 117.9(4) . . ? C26 C27 H27A 116(2) . . ? C28 C27 H27A 126(2) . . ? C29 C28 C27 120.8(4) . . ? C29 C28 H28A 119.6 . . ? C27 C28 H28A 119.6 . . ? C28 C29 C30 121.1(5) . . ? C28 C29 H29A 119.4 . . ? C30 C29 H29A 119.4 . . ? C25 C30 C29 120.5(5) . . ? C25 C30 H30A 120(2) . . ? C29 C30 H30A 120(2) . . ? F3 B1 F4 113.7(5) . . ? F3 B1 F2 110.6(5) . . ? F4 B1 F2 112.4(4) . . ? F3 B1 F1 107.3(5) . . ? F4 B1 F1 108.4(5) . . ? F2 B1 F1 103.8(5) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C26 Au1 N1 C1 -94.9(5) . . . . ? C11 Au1 N1 C1 -3.5(3) . . . . ? N2 Au1 N1 C1 158.5(3) . . . . ? C26 Au1 N1 C9 76.7(5) . . . . ? C11 Au1 N1 C9 168.2(3) . . . . ? N2 Au1 N1 C9 -29.8(3) . . . . ? C26 Au1 N2 C16 -8.2(3) . . . . ? C11 Au1 N2 C16 -98.1(5) . . . . ? N1 Au1 N2 C16 151.7(3) . . . . ? C26 Au1 N2 C24 167.9(3) . . . . ? C11 Au1 N2 C24 77.9(5) . . . . ? N1 Au1 N2 C24 -32.2(3) . . . . ? C9 N1 C1 C2 8.5(6) . . . . ? Au1 N1 C1 C2 -179.2(3) . . . . ? C9 N1 C1 C10 -172.6(3) . . . . ? Au1 N1 C1 C10 -0.3(4) . . . . ? N1 C1 C2 C3 -2.9(7) . . . . ? C10 C1 C2 C3 178.3(5) . . . . ? C1 C2 C3 C4 -3.7(8) . . . . ? C2 C3 C4 C9 4.3(8) . . . . ? C2 C3 C4 C5 -176.4(5) . . . . ? C9 C4 C5 C6 0.5(8) . . . . ? C3 C4 C5 C6 -178.8(5) . . . . ? C4 C5 C6 C7 -3.6(8) . . . . ? C5 C6 C7 C8 2.5(8) . . . . ? C6 C7 C8 C9 1.7(7) . . . . ? C7 C8 C9 C4 -4.7(6) . . . . ? C7 C8 C9 N1 176.8(4) . . . . ? C3 C4 C9 C8 -177.1(4) . . . . ? C5 C4 C9 C8 3.6(6) . . . . ? C3 C4 C9 N1 1.5(6) . . . . ? C5 C4 C9 N1 -177.9(4) . . . . ? C1 N1 C9 C8 170.9(4) . . . . ? Au1 N1 C9 C8 -0.4(5) . . . . ? C1 N1 C9 C4 -7.7(6) . . . . ? Au1 N1 C9 C4 -178.9(3) . . . . ? N1 C1 C10 C15 -174.4(4) . . . . ? C2 C1 C10 C15 4.5(7) . . . . ? N1 C1 C10 C11 6.4(6) . . . . ? C2 C1 C10 C11 -174.7(4) . . . . ? C15 C10 C11 C12 4.6(6) . . . . ? C1 C10 C11 C12 -176.1(4) . . . . ? C15 C10 C11 Au1 171.5(3) . . . . ? C1 C10 C11 Au1 -9.3(5) . . . . ? C26 Au1 C11 C10 165.5(3) . . . . ? N2 Au1 C11 C10 -108.2(5) . . . . ? N1 Au1 C11 C10 6.5(3) . . . . ? C26 Au1 C11 C12 -28.1(4) . . . . ? N2 Au1 C11 C12 58.2(6) . . . . ? N1 Au1 C11 C12 172.8(4) . . . . ? C10 C11 C12 C13 -3.7(6) . . . . ? Au1 C11 C12 C13 -168.8(3) . . . . ? C11 C12 C13 C14 -1.2(7) . . . . ? C12 C13 C14 C15 4.8(8) . . . . ? C11 C10 C15 C14 -0.8(7) . . . . ? C1 C10 C15 C14 179.9(4) . . . . ? C13 C14 C15 C10 -3.8(8) . . . . ? C24 N2 C16 C17 10.2(6) . . . . ? Au1 N2 C16 C17 -173.5(4) . . . . ? C24 N2 C16 C25 -172.6(3) . . . . ? Au1 N2 C16 C25 3.7(4) . . . . ? N2 C16 C17 C18 -5.7(8) . . . . ? C25 C16 C17 C18 177.2(5) . . . . ? C16 C17 C18 C19 -1.8(9) . . . . ? C17 C18 C19 C24 4.6(8) . . . . ? C17 C18 C19 C20 -173.9(6) . . . . ? C18 C19 C20 C21 178.2(6) . . . . ? C24 C19 C20 C21 -0.4(8) . . . . ? C19 C20 C21 C22 0.6(9) . . . . ? C20 C21 C22 C23 -0.9(8) . . . . ? C21 C22 C23 C24 1.1(6) . . . . ? C22 C23 C24 N2 -178.9(4) . . . . ? C22 C23 C24 C19 -0.9(6) . . . . ? C16 N2 C24 C23 170.9(4) . . . . ? Au1 N2 C24 C23 -4.8(5) . . . . ? C16 N2 C24 C19 -7.1(5) . . . . ? Au1 N2 C24 C19 177.2(3) . . . . ? C18 C19 C24 C23 -178.1(4) . . . . ? C20 C19 C24 C23 0.5(6) . . . . ? C18 C19 C24 N2 -0.1(6) . . . . ? C20 C19 C24 N2 178.5(4) . . . . ? N2 C16 C25 C30 -176.9(5) . . . . ? C17 C16 C25 C30 0.3(7) . . . . ? N2 C16 C25 C26 5.9(6) . . . . ? C17 C16 C25 C26 -176.9(4) . . . . ? C30 C25 C26 C27 3.0(7) . . . . ? C16 C25 C26 C27 -179.6(4) . . . . ? C30 C25 C26 Au1 169.5(4) . . . . ? C16 C25 C26 Au1 -13.1(5) . . . . ? C11 Au1 C26 C25 172.2(3) . . . . ? N2 Au1 C26 C25 11.5(3) . . . . ? N1 Au1 C26 C25 -100.2(5) . . . . ? C11 Au1 C26 C27 -21.9(4) . . . . ? N2 Au1 C26 C27 177.4(4) . . . . ? N1 Au1 C26 C27 65.7(6) . . . . ? C25 C26 C27 C28 -2.7(7) . . . . ? Au1 C26 C27 C28 -168.0(3) . . . . ? C26 C27 C28 C29 -0.5(7) . . . . ? C27 C28 C29 C30 3.4(8) . . . . ? C26 C25 C30 C29 -0.1(8) . . . . ? C16 C25 C30 C29 -177.2(5) . . . . ? C28 C29 C30 C25 -3.1(9) . . . . ? _diffrn_measured_fraction_theta_max 0.977 _diffrn_reflns_theta_full 27.51 _diffrn_measured_fraction_theta_full 0.977 _refine_diff_density_max 2.458 _refine_diff_density_min -2.017 _refine_diff_density_rms 0.276 _database_code_depnum_ccdc_archive 'CCDC 946727'