Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2006 ####################################################################### # # 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_compound_3e(PF6)CH2Cl2 _database_code_depnum_ccdc_archive 'CCDC 615695' _audit_creation_date 06-06-17 _audit_creation_method 'from The Personal SDP version 2.1.1' _chemical_formula_sum 'C27 H26 Au Cl2 F6 N2 P' _chemical_formula_weight 791.36 _computing_data_collection 'SMART (Bruker)' _computing_cell_refinement 'SMART (Bruker)' _computing_data_reduction 'SAINT (Bruker)' _computing_structure_solution ; SHELXS-86 (Sheldrick, 1986) as implemented in The Personal SDP ; _computing_structure_refinement ; Full-matrix least-squares (The Personal SDP, 1991) ; _cell_length_a 15.011(1) _cell_length_b 13.445(1) _cell_length_c 14.603(1) _cell_angle_alpha 90 _cell_angle_beta 108.48(1) _cell_angle_gamma 90 _cell_volume 2795.3(3) _cell_formula_units_Z 4 _cell_measurement_temperature 150 _cell_measurement_reflns_used 241 _cell_measurement_theta_min 3 _cell_measurement_theta_max 23 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _symmetry_equiv_pos_as_xyz +x,+y,+z -x,1/2+y,1/2-z -x,-y,-z +x,1/2-y,1/2+z _exptl_crystal_description prism _exptl_crystal_colour colourless _exptl_crystal_size_max 0.430 _exptl_crystal_size_mid 0.340 _exptl_crystal_size_min 0.220 _exptl_crystal_density_diffrn 1.880 _exptl_crystal_F_000 1536 _exptl_absorpt_coefficient_mu 5.562 _exptl_absorpt_correction_type empirical _exptl_absorpt_process_details ; SADABS ; _exptl_absorpt_correction_T_min 0.793 _exptl_absorpt_correction_T_max 1.000 _diffrn_ambient_temperature 150 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type Mo-K\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'SMART CCD area detector' _diffrn_measurement_device 'SMART (Bruker)' _diffrn_measurement_method omega _diffrn_standards_number 581 _diffrn_standards_decay_% 0.00 _diffrn_reflns_number_total 42473 _diffrn_reflns_number_independent 6102 _R_int 0.0293 _diffrn_reflns_theta_min 3.00 _diffrn_reflns_theta_max 27.00 _total_number_of_frames 2770 _time_per_frame_seconds 15 _frame_width_degrees 0.30 _detector_sample_distance_cm 4.00 _diffrn_reflns_reduction_process SAINT _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Au 0 4 -2.688 8.7980 'International Tables Vol IV Table 2.2A' Cl 0 8 0.1320 0.1590 'International Tables Vol IV Table 2.2A' P 0 4 0.0900 0.0950 'International Tables Vol IV Table 2.2A' F 0 24 0.0140 0.0100 'International Tables Vol IV Table 2.2A' N 0 8 0.0040 0.0030 'International Tables Vol IV Table 2.2A' C 0 108 0.0020 0.0020 'International Tables Vol IV Table 2.2A' H 0 104 0.0000 0.0000 'International Tables Vol IV Table 2.2A' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_type_symbol AU 0.123708(6) 0.056515(6) 0.327661(6) 1.00 0.02779(3) Uani AU CL1 0.36921(7) 0.50072(9) 0.25488(7) 1.00 0.0778(4) Uani CL CL2 0.43430(7) 0.67316(8) 0.37417(9) 1.00 0.0930(5) Uani CL P 0.77203(5) -0.02071(6) -0.00184(5) 1.00 0.0367(3) Uani P F1 0.6670(1) -0.0622(1) -0.0289(2) 1.00 0.0563(8) Uani F F2 0.7334(2) 0.0883(2) -0.0030(2) 1.00 0.086(1) Uani F F3 0.8757(1) 0.0223(2) 0.0235(2) 1.00 0.066(1) Uani F F4 0.8104(1) -0.1304(1) -0.0017(1) 1.00 0.0696(9) Uani F F5 0.7595(1) -0.0138(2) -0.1137(1) 1.00 0.075(1) Uani F F6 0.7849(2) -0.0292(2) 0.1092(1) 1.00 0.079(1) Uani F N1 0.0379(1) -0.0425(1) 0.3827(1) 1.00 0.0266(7) Uani N N2 0.2251(1) -0.0352(1) 0.4373(1) 1.00 0.0244(7) Uani N C1 -0.0561(2) -0.0404(2) 0.3522(2) 1.00 0.0341(9) Uani C C2 -0.1091(2) -0.1053(2) 0.3881(2) 1.00 0.0342(9) Uani C C3 -0.0629(2) -0.1726(2) 0.4577(2) 1.00 0.0401(9) Uani C C4 0.0345(2) -0.1760(2) 0.4890(2) 1.00 0.0353(9) Uani C C5 0.0835(2) -0.1097(2) 0.4493(2) 1.00 0.0264(8) Uani C C6 0.1874(2) -0.1091(2) 0.4757(2) 1.00 0.0266(8) Uani C C7 0.2428(2) -0.1817(2) 0.5336(2) 1.00 0.0367(9) Uani C C8 0.3387(2) -0.1789(2) 0.5516(2) 1.00 0.044(1) Uani C C9 0.3775(2) -0.1023(2) 0.5132(2) 1.00 0.0349(9) Uani C C10 0.3190(2) -0.0308(2) 0.4557(2) 1.00 0.0264(8) Uani C C11 0.3561(2) 0.0538(2) 0.4117(2) 1.00 0.0267(9) Uani C C12 0.3262(2) 0.1685(2) 0.5369(2) 1.00 0.045(1) Uani C C13 0.3946(2) -0.0673(2) 0.2960(2) 1.00 0.041(1) Uani C C14 0.0583(2) 0.1596(2) 0.2171(2) 1.00 0.0389(9) Uani C C15 0.1566(2) 0.1716(2) 0.2461(2) 1.00 0.060(1) Uani C C16 -0.0080(2) 0.2240(2) 0.2467(2) 1.00 0.0330(8) Uani C C17 0.0213(2) 0.3018(2) 0.3108(2) 1.00 0.0335(9) Uani C C18 -0.0440(2) 0.3594(2) 0.3361(2) 1.00 0.048(1) Uani C C19 -0.1390(2) 0.3397(2) 0.2970(2) 1.00 0.061(1) Uani C C20 -0.1688(2) 0.2627(2) 0.2333(2) 1.00 0.053(1) Uani C C21 -0.1042(2) 0.2044(2) 0.2072(2) 1.00 0.035(1) Uani C C22 0.3568(2) 0.1498(2) 0.4493(2) 1.00 0.0323(9) Uani C C23 0.3851(2) 0.2288(2) 0.4033(2) 1.00 0.037(1) Uani C C24 0.4121(2) 0.2120(2) 0.3229(2) 1.00 0.043(1) Uani C C25 0.4141(2) 0.1176(2) 0.2882(2) 1.00 0.039(1) Uani C C26 0.3874(2) 0.0359(2) 0.3326(2) 1.00 0.0298(9) Uani C C27 0.4244(3) 0.5445(3) 0.3699(3) 1.00 0.076(2) Uani C H1 0.033(2) 0.122(3) 0.165(2) 1.00 0.0428 Uiso H H2 0.191(2) 0.146(3) 0.210(3) 1.00 0.0660 Uiso H H3 0.185(2) 0.228(3) 0.287(2) 1.00 0.0660 Uiso H H4 0.343(2) 0.223(3) 0.565(2) 1.00 0.0495 Uiso H H5 0.261(2) 0.168(3) 0.524(2) 1.00 0.0495 Uiso H H6 0.344(2) 0.121(3) 0.579(2) 1.00 0.0495 Uiso H H7 0.388(3) -0.067(3) 0.223(3) 1.00 0.0451 Uiso H H8 0.458(3) -0.091(3) 0.332(3) 1.00 0.0451 Uiso H H9 0.343(2) -0.108(3) 0.297(3) 1.00 0.0451 Uiso H H10 0.0878 0.3164 0.3382 1.00 0.0368 Uiso H H11 -0.0230 0.4137 0.3814 1.00 0.0528 Uiso H H12 -0.1844 0.3803 0.3147 1.00 0.0671 Uiso H H13 -0.2354 0.2487 0.2061 1.00 0.0583 Uiso H H14 -0.1257 0.1502 0.1616 1.00 0.0385 Uiso H H15 -0.0882 0.0079 0.3036 1.00 0.0375 Uiso H H16 -0.1772 -0.1030 0.3645 1.00 0.0376 Uiso H H17 -0.0983 -0.2177 0.4848 1.00 0.0441 Uiso H H18 0.0679 -0.2236 0.5377 1.00 0.0388 Uiso H H19 0.2146 -0.2339 0.5612 1.00 0.0404 Uiso H H20 0.3786 -0.2300 0.5908 1.00 0.0484 Uiso H H21 0.4450 -0.0986 0.5263 1.00 0.0384 Uiso H H22 0.3858 0.2959 0.4280 1.00 0.0407 Uiso H H23 0.4300 0.2678 0.2904 1.00 0.0473 Uiso H H24 0.4343 0.1074 0.2320 1.00 0.0429 Uiso H H25 0.4868 0.5159 0.3934 1.00 0.0836 Uiso H H26 0.3884 0.5239 0.4114 1.00 0.0836 Uiso H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 _atom_site_aniso_type_symbol AU 0.01908(4) 0.02083(5) 0.02374(4) 0.00336(3) 0.00665(3) 0.00380(3) AU CL1 0.0921(5) 0.0924(7) 0.0670(5) -0.0422(5) 0.0378(4) -0.0316(5) CL CL2 0.0531(4) 0.0740(5) 0.1655(8) -0.0126(4) 0.0399(5) -0.0657(5) CL P 0.0345(3) 0.0278(3) 0.0360(3) -0.0025(3) 0.0065(3) -0.0005(3) P F1 0.0414(9) 0.049(1) 0.065(1) -0.0120(7) 0.0151(8) -0.0027(8) F F2 0.074(1) 0.0270(9) 0.120(2) 0.007(1) 0.009(1) -0.003(1) F F3 0.043(1) 0.093(1) 0.087(1) -0.026(1) 0.0168(9) -0.030(1) F F4 0.065(1) 0.044(1) 0.072(1) 0.0183(9) 0.003(1) -0.010(1) F F5 0.073(1) 0.090(1) 0.0408(9) -0.019(1) 0.0156(9) 0.011(1) F F6 0.085(1) 0.089(1) 0.0361(9) 0.000(1) 0.0177(9) -0.004(1) F N1 0.0213(9) 0.0188(9) 0.0276(9) -0.0001(7) 0.0078(7) -0.0019(8) N N2 0.0211(8) 0.0173(9) 0.0230(9) 0.0003(7) 0.0066(7) -0.0006(7) N C1 0.023(1) 0.029(1) 0.033(1) 0.002(1) 0.0088(9) -0.001(1) C C2 0.022(1) 0.035(1) 0.038(1) -0.004(1) 0.0122(9) -0.009(1) C C3 0.030(1) 0.032(1) 0.039(1) -0.007(1) 0.0183(9) -0.002(1) C C4 0.027(1) 0.029(1) 0.033(1) -0.004(1) 0.0115(8) 0.001(1) C C5 0.023(1) 0.020(1) 0.024(1) 0.0001(9) 0.0085(8) -0.0029(9) C C6 0.024(1) 0.020(1) 0.024(1) -0.0008(9) 0.0080(8) -0.0012(9) C C7 0.029(1) 0.022(1) 0.037(1) -0.001(1) 0.0083(9) 0.007(1) C C8 0.028(1) 0.027(1) 0.044(1) 0.006(1) 0.007(1) 0.013(1) C C9 0.023(1) 0.026(1) 0.035(1) 0.002(1) 0.0055(9) 0.005(1) C C10 0.021(1) 0.018(1) 0.029(1) -0.0003(9) 0.0062(8) -0.0004(9) C C11 0.016(1) 0.025(1) 0.027(1) -0.0016(9) 0.0041(8) 0.0046(9) C C12 0.039(1) 0.026(1) 0.043(1) -0.001(1) 0.0210(9) -0.003(1) C C13 0.035(1) 0.036(1) 0.040(1) -0.004(1) 0.013(1) -0.007(1) C C14 0.030(1) 0.030(1) 0.025(1) 0.008(1) 0.0069(9) 0.009(1) C C15 0.032(1) 0.042(1) 0.044(1) 0.011(1) 0.0173(9) 0.023(1) C C16 0.026(1) 0.024(1) 0.024(1) 0.0042(9) 0.0059(8) 0.0092(9) C C17 0.032(1) 0.029(1) 0.025(1) -0.004(1) 0.0061(9) 0.005(1) C C18 0.056(2) 0.024(1) 0.030(1) 0.003(1) 0.014(1) 0.004(1) C C19 0.044(1) 0.034(1) 0.042(1) 0.017(1) 0.022(1) 0.011(1) C C20 0.027(1) 0.045(2) 0.044(1) 0.009(1) 0.011(1) 0.013(1) C C21 0.027(1) 0.029(1) 0.033(1) 0.003(1) 0.003(1) 0.002(1) C C22 0.021(1) 0.022(1) 0.034(1) 0.0018(9) 0.0070(9) 0.004(1) C C23 0.028(1) 0.023(1) 0.042(1) -0.002(1) 0.007(1) 0.004(1) C C24 0.027(1) 0.038(1) 0.036(1) -0.003(1) 0.0084(9) 0.014(1) C C25 0.024(1) 0.041(1) 0.029(1) 0.000(1) 0.0082(9) 0.006(1) C C26 0.019(1) 0.030(1) 0.031(1) 0.000(1) 0.0045(9) -0.001(1) C C27 0.065(2) 0.073(3) 0.049(2) -0.001(2) 0.021(2) 0.007(2) C _refine_special_details ; weight = (4*F~o~^2^)/[\s^2^(F~o~^2^)] (refinement on F^2^) \s(F~o~^2^) = [\s^2^(F~o~^2^) + (P*F~o~^2^)^2^]^(1/2)^ P = 0.0400 ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_hydrogen_treatment mixed _refine_ls_number_reflns 6102 _refine_ls_number_parameters 388 _refine_ls_number_constraints 9 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.032 _refine_ls_R_factor_obs 0.032 _refine_ls_wR_factor_obs 0.056 _conventional_R1_(I>2\s(I))_(5373_reflections) 0.019 _refine_ls_shift/esd_max 0.018 _refine_ls_shift/esd_mean 0.001 _refine_ls_goodness_of_fit_all 0.984 _refine_ls_goodness_of_fit_obs 0.984 _refine_diff_density_max 0.931 _refine_diff_density_min -1.157 _refine_diff_density_esd 0.142 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag AU N1 2.175(2) 1_555 1_555 yes AU N2 2.204(2) 1_555 1_555 yes AU C14 2.118(2) 1_555 1_555 yes AU C15 2.105(3) 1_555 1_555 yes CL1 C27 1.724(4) 1_555 1_555 yes CL2 C27 1.736(4) 1_555 1_555 yes P F1 1.599(2) 1_555 1_555 yes P F2 1.574(2) 1_555 1_555 yes P F3 1.590(2) 1_555 1_555 yes P F4 1.584(2) 1_555 1_555 yes P F5 1.586(2) 1_555 1_555 yes P F6 1.575(2) 1_555 1_555 yes N1 C1 1.338(3) 1_555 1_555 yes N1 C5 1.345(3) 1_555 1_555 yes N2 C6 1.350(3) 1_555 1_555 yes N2 C10 1.350(3) 1_555 1_555 yes C1 C2 1.390(4) 1_555 1_555 yes C1 H15 0.970 1_555 1_555 yes C2 C3 1.373(4) 1_555 1_555 yes C2 H16 0.970 1_555 1_555 yes C3 C4 1.388(3) 1_555 1_555 yes C3 H17 0.970 1_555 1_555 yes C4 C5 1.393(4) 1_555 1_555 yes C4 H18 0.970 1_555 1_555 yes C5 C6 1.484(3) 1_555 1_555 yes C6 C7 1.383(3) 1_555 1_555 yes C7 C8 1.380(4) 1_555 1_555 yes C7 H19 0.970 1_555 1_555 yes C8 C9 1.386(4) 1_555 1_555 yes C8 H20 0.970 1_555 1_555 yes C9 C10 1.391(3) 1_555 1_555 yes C9 H21 0.970 1_555 1_555 yes C10 C11 1.498(4) 1_555 1_555 yes C11 C22 1.401(3) 1_555 1_555 yes C11 C26 1.399(4) 1_555 1_555 yes C12 C22 1.511(4) 1_555 1_555 yes C12 H4 0.838(35) 1_555 1_555 yes C12 H5 0.938(33) 1_555 1_555 yes C12 H6 0.869(35) 1_555 1_555 yes C13 C26 1.503(4) 1_555 1_555 yes C13 H7 1.047(46) 1_555 1_555 yes C13 H8 0.986(34) 1_555 1_555 yes C13 H9 0.959(38) 1_555 1_555 yes C14 C15 1.409(4) 1_555 1_555 yes C14 C16 1.484(4) 1_555 1_555 yes C14 H1 0.891(32) 1_555 1_555 yes C15 H2 0.915(41) 1_555 1_555 yes C15 H3 0.975(34) 1_555 1_555 yes C16 C17 1.380(3) 1_555 1_555 yes C16 C21 1.399(3) 1_555 1_555 yes C17 C18 1.388(4) 1_555 1_555 yes C17 H10 0.970 1_555 1_555 yes C18 C19 1.383(4) 1_555 1_555 yes C18 H11 0.970 1_555 1_555 yes C19 C20 1.369(4) 1_555 1_555 yes C19 H12 0.970 1_555 1_555 yes C20 C21 1.391(4) 1_555 1_555 yes C20 H13 0.970 1_555 1_555 yes C21 H14 0.970 1_555 1_555 yes C22 C23 1.393(4) 1_555 1_555 yes C23 C24 1.376(4) 1_555 1_555 yes C23 H22 0.970 1_555 1_555 yes C24 C25 1.370(4) 1_555 1_555 yes C24 H23 0.970 1_555 1_555 yes C25 C26 1.397(4) 1_555 1_555 yes C25 H24 0.970 1_555 1_555 yes C27 H25 0.970 1_555 1_555 yes C27 H26 0.970 1_555 1_555 yes 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 AU N2 75.1(1) 1_555 1_555 1_555 yes N1 AU C14 119.7(1) 1_555 1_555 1_555 yes N1 AU C15 158.6(1) 1_555 1_555 1_555 yes N2 AU C14 165.1(1) 1_555 1_555 1_555 yes N2 AU C15 126.2(1) 1_555 1_555 1_555 yes C14 AU C15 39.0(1) 1_555 1_555 1_555 yes F1 P F2 89.5(1) 1_555 1_555 1_555 yes F1 P F3 178.9(1) 1_555 1_555 1_555 yes F1 P F4 90.3(1) 1_555 1_555 1_555 yes F1 P F5 88.9(1) 1_555 1_555 1_555 yes F1 P F6 91.1(1) 1_555 1_555 1_555 yes F2 P F3 89.6(1) 1_555 1_555 1_555 yes F2 P F4 179.5(1) 1_555 1_555 1_555 yes F2 P F5 90.7(1) 1_555 1_555 1_555 yes F2 P F6 90.2(1) 1_555 1_555 1_555 yes F3 P F4 90.5(1) 1_555 1_555 1_555 yes F3 P F5 90.4(1) 1_555 1_555 1_555 yes F3 P F6 89.7(1) 1_555 1_555 1_555 yes F4 P F5 88.9(1) 1_555 1_555 1_555 yes F4 P F6 90.3(1) 1_555 1_555 1_555 yes F5 P F6 179.2(1) 1_555 1_555 1_555 yes AU N1 C1 123.3(2) 1_555 1_555 1_555 yes AU N1 C5 117.0(2) 1_555 1_555 1_555 yes C1 N1 C5 119.7(2) 1_555 1_555 1_555 yes AU N2 C6 115.5(1) 1_555 1_555 1_555 yes AU N2 C10 123.8(2) 1_555 1_555 1_555 yes C6 N2 C10 119.9(2) 1_555 1_555 1_555 yes N1 C1 C2 122.1(2) 1_555 1_555 1_555 yes N1 C1 H15 119.0 1_555 1_555 1_555 yes C2 C1 H15 119.0 1_555 1_555 1_555 yes C1 C2 C3 118.5(2) 1_555 1_555 1_555 yes C1 C2 H16 120.7 1_555 1_555 1_555 yes C3 C2 H16 120.7 1_555 1_555 1_555 yes C2 C3 C4 119.8(3) 1_555 1_555 1_555 yes C2 C3 H17 120.1 1_555 1_555 1_555 yes C4 C3 H17 120.1 1_555 1_555 1_555 yes C3 C4 C5 118.8(2) 1_555 1_555 1_555 yes C3 C4 H18 120.6 1_555 1_555 1_555 yes C5 C4 H18 120.6 1_555 1_555 1_555 yes N1 C5 C4 121.1(2) 1_555 1_555 1_555 yes N1 C5 C6 115.8(2) 1_555 1_555 1_555 yes C4 C5 C6 123.1(2) 1_555 1_555 1_555 yes N2 C6 C5 116.1(2) 1_555 1_555 1_555 yes N2 C6 C7 121.6(2) 1_555 1_555 1_555 yes C5 C6 C7 122.2(2) 1_555 1_555 1_555 yes C6 C7 C8 119.0(2) 1_555 1_555 1_555 yes C6 C7 H19 120.5 1_555 1_555 1_555 yes C8 C7 H19 120.5 1_555 1_555 1_555 yes C7 C8 C9 119.4(2) 1_555 1_555 1_555 yes C7 C8 H20 120.3 1_555 1_555 1_555 yes C9 C8 H20 120.3 1_555 1_555 1_555 yes C8 C9 C10 119.4(2) 1_555 1_555 1_555 yes C8 C9 H21 120.3 1_555 1_555 1_555 yes C10 C9 H21 120.3 1_555 1_555 1_555 yes N2 C10 C9 120.7(2) 1_555 1_555 1_555 yes N2 C10 C11 117.1(2) 1_555 1_555 1_555 yes C9 C10 C11 122.3(2) 1_555 1_555 1_555 yes C10 C11 C22 119.3(3) 1_555 1_555 1_555 yes C10 C11 C26 119.4(2) 1_555 1_555 1_555 yes C22 C11 C26 121.2(2) 1_555 1_555 1_555 yes C22 C12 H4 116.0(27) 1_555 1_555 1_555 yes C22 C12 H5 114.2(22) 1_555 1_555 1_555 yes C22 C12 H6 112.0(26) 1_555 1_555 1_555 yes H4 C12 H5 103.8(33) 1_555 1_555 1_555 yes H4 C12 H6 108.4(32) 1_555 1_555 1_555 yes H5 C12 H6 101.2(32) 1_555 1_555 1_555 yes C26 C13 H7 111.9(19) 1_555 1_555 1_555 yes C26 C13 H8 106.2(22) 1_555 1_555 1_555 yes C26 C13 H9 111.6(24) 1_555 1_555 1_555 yes H7 C13 H8 107.9(33) 1_555 1_555 1_555 yes H7 C13 H9 102.1(30) 1_555 1_555 1_555 yes H8 C13 H9 117.3(31) 1_555 1_555 1_555 yes AU C14 C15 70.0(1) 1_555 1_555 1_555 yes AU C14 C16 110.6(2) 1_555 1_555 1_555 yes AU C14 H1 104.9(22) 1_555 1_555 1_555 yes C15 C14 C16 125.5(2) 1_555 1_555 1_555 yes C15 C14 H1 116.8(23) 1_555 1_555 1_555 yes C16 C14 H1 115.3(22) 1_555 1_555 1_555 yes AU C15 C14 71.0(2) 1_555 1_555 1_555 yes AU C15 H2 108.8(24) 1_555 1_555 1_555 yes AU C15 H3 111.3(22) 1_555 1_555 1_555 yes C14 C15 H2 120.4(20) 1_555 1_555 1_555 yes C14 C15 H3 118.8(22) 1_555 1_555 1_555 yes H2 C15 H3 116.0(32) 1_555 1_555 1_555 yes C14 C16 C17 122.8(2) 1_555 1_555 1_555 yes C14 C16 C21 118.0(2) 1_555 1_555 1_555 yes C17 C16 C21 119.2(2) 1_555 1_555 1_555 yes C16 C17 C18 120.2(2) 1_555 1_555 1_555 yes C16 C17 H10 119.9 1_555 1_555 1_555 yes C18 C17 H10 119.9 1_555 1_555 1_555 yes C17 C18 C19 120.4(2) 1_555 1_555 1_555 yes C17 C18 H11 119.8 1_555 1_555 1_555 yes C19 C18 H11 119.8 1_555 1_555 1_555 yes C18 C19 C20 119.8(3) 1_555 1_555 1_555 yes C18 C19 H12 120.1 1_555 1_555 1_555 yes C20 C19 H12 120.1 1_555 1_555 1_555 yes C19 C20 C21 120.5(2) 1_555 1_555 1_555 yes C19 C20 H13 119.8 1_555 1_555 1_555 yes C21 C20 H13 119.8 1_555 1_555 1_555 yes C16 C21 C20 119.9(2) 1_555 1_555 1_555 yes C16 C21 H14 120.0 1_555 1_555 1_555 yes C20 C21 H14 120.0 1_555 1_555 1_555 yes C11 C22 C12 121.2(2) 1_555 1_555 1_555 yes C11 C22 C23 118.7(3) 1_555 1_555 1_555 yes C12 C22 C23 120.2(2) 1_555 1_555 1_555 yes C22 C23 C24 120.2(2) 1_555 1_555 1_555 yes C22 C23 H22 119.9 1_555 1_555 1_555 yes C24 C23 H22 119.9 1_555 1_555 1_555 yes C23 C24 C25 120.9(3) 1_555 1_555 1_555 yes C23 C24 H23 119.5 1_555 1_555 1_555 yes C25 C24 H23 119.5 1_555 1_555 1_555 yes C24 C25 C26 120.9(3) 1_555 1_555 1_555 yes C24 C25 H24 119.6 1_555 1_555 1_555 yes C26 C25 H24 119.6 1_555 1_555 1_555 yes C11 C26 C13 122.2(2) 1_555 1_555 1_555 yes C11 C26 C25 118.0(2) 1_555 1_555 1_555 yes C13 C26 C25 119.8(3) 1_555 1_555 1_555 yes CL1 C27 CL2 112.6(2) 1_555 1_555 1_555 yes CL1 C27 H25 108.7 1_555 1_555 1_555 yes CL1 C27 H26 108.7 1_555 1_555 1_555 yes CL2 C27 H25 108.7 1_555 1_555 1_555 yes CL2 C27 H26 108.7 1_555 1_555 1_555 yes H25 C27 H26 109.5 1_555 1_555 1_555 yes _chemical_name_common (Au(bipyOxyl)(CH2=CHPh))(PF6)CH2Cl2