# Electronic Supplementary Material (ESI) for Chemical Science # This journal is © The Royal Society of Chemistry 2012 data_global _journal_name_full 'Chemical Science' _journal_coden_cambridge 1475 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_name A.L.Balch _publ_contact_author_email albalch@ucdavis.edu loop_ _publ_author_name 'Sang-Ho Lim' 'Marilyn Olmstead' A.L.Balch data_sh160 _database_code_depnum_ccdc_archive 'CCDC 840563' #TrackingRef '- (2)sh160new.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common 'beta-(Au2(dppe)2I2).2acetone (green emission)' _chemical_melting_point ? _chemical_formula_moiety 'C52 H48 Au2 I2 P4, 2(C3 H6 O)' _chemical_formula_sum 'C58 H60 Au2 I2 O2 P4' _chemical_formula_weight 1560.67 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' Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' I I -0.4742 1.8119 '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' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.8300(3) _cell_length_b 11.9725(3) _cell_length_c 12.3591(4) _cell_angle_alpha 65.098(2) _cell_angle_beta 69.838(2) _cell_angle_gamma 65.309(2) _cell_volume 1411.99(7) _cell_formula_units_Z 1 _cell_measurement_temperature 90(2) _cell_measurement_reflns_used 9953 _cell_measurement_theta_min 2.39 _cell_measurement_theta_max 30.59 _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.11 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.835 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 748 _exptl_absorpt_coefficient_mu 6.436 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.327 _exptl_absorpt_correction_T_max 0.493 _exptl_absorpt_process_details 'SADABS 2.10 (Sheldrick, 2003)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 90(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 ApexII' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 8.3 _diffrn_reflns_number 22680 _diffrn_reflns_av_R_equivalents 0.0199 _diffrn_reflns_av_sigmaI/netI 0.0246 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 2.39 _diffrn_reflns_theta_max 30.60 _reflns_number_total 8630 _reflns_number_gt 7969 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Apex2 (Bruker, 2007)' _computing_cell_refinement SAINT _computing_data_reduction 'SAINT (Bruker, 2007)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'SHELXTL 5.1, XP (Sheldrick, 1994)' _computing_publication_material SHELXS-97 _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^)+(0.0190P)^2^+0.3497P] 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 8630 _refine_ls_number_parameters 309 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0216 _refine_ls_R_factor_gt 0.0185 _refine_ls_wR_factor_ref 0.0408 _refine_ls_wR_factor_gt 0.0400 _refine_ls_goodness_of_fit_ref 1.032 _refine_ls_restrained_S_all 1.032 _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 Au1 Au 0.357704(7) 0.473164(7) 0.063871(7) 0.01453(2) Uani 1 1 d . . . I1 I 0.559743(12) 0.238187(12) 0.173019(12) 0.01840(3) Uani 1 1 d . . . P1 P 0.34129(5) 0.42975(5) -0.09475(5) 0.01318(9) Uani 1 1 d . . . P2 P 0.28678(5) 0.58994(5) 0.19701(5) 0.01252(9) Uani 1 1 d . . . C1 C 0.34044(18) 0.26619(19) -0.05818(19) 0.0152(4) Uani 1 1 d . . . C2 C 0.3165(2) 0.1897(2) 0.0626(2) 0.0196(4) Uani 1 1 d . . . H2A H 0.3018 0.2217 0.1246 0.024 Uiso 1 1 calc R . . C3 C 0.3143(2) 0.0642(2) 0.0913(2) 0.0242(5) Uani 1 1 d . . . H3A H 0.2963 0.0135 0.1723 0.029 Uiso 1 1 calc R . . C4 C 0.3390(2) 0.0162(2) -0.0014(2) 0.0235(5) Uani 1 1 d . . . H4A H 0.3383 -0.0673 0.0175 0.028 Uiso 1 1 calc R . . C5 C 0.3649(2) 0.0917(2) -0.1225(2) 0.0226(4) Uani 1 1 d . . . H5A H 0.3829 0.0582 -0.1844 0.027 Uiso 1 1 calc R . . C6 C 0.3639(2) 0.2169(2) -0.1509(2) 0.0191(4) Uani 1 1 d . . . H6A H 0.3789 0.2685 -0.2320 0.023 Uiso 1 1 calc R . . C7 C 0.20113(19) 0.53615(19) -0.15989(19) 0.0163(4) Uani 1 1 d . . . C8 C 0.09711(19) 0.4947(2) -0.13215(19) 0.0197(4) Uani 1 1 d . . . H8A H 0.0997 0.4108 -0.0807 0.024 Uiso 1 1 calc R . . C9 C -0.0101(2) 0.5779(2) -0.1808(2) 0.0233(4) Uani 1 1 d . . . H9A H -0.0791 0.5498 -0.1613 0.028 Uiso 1 1 calc R . . C10 C -0.0143(2) 0.7026(2) -0.2581(2) 0.0257(5) Uani 1 1 d . . . H10A H -0.0861 0.7580 -0.2909 0.031 Uiso 1 1 calc R . . C11 C 0.0884(2) 0.7453(2) -0.2871(3) 0.0315(6) Uani 1 1 d . . . H11A H 0.0861 0.8286 -0.3401 0.038 Uiso 1 1 calc R . . C12 C 0.1949(2) 0.6626(2) -0.2362(2) 0.0280(5) Uani 1 1 d . . . H12A H 0.2625 0.6921 -0.2534 0.034 Uiso 1 1 calc R . . C13 C 0.47404(18) 0.44540(19) -0.22504(18) 0.0146(4) Uani 1 1 d . . . H13A H 0.4581 0.4360 -0.2921 0.018 Uiso 1 1 calc R . . H13B H 0.4818 0.5310 -0.2516 0.018 Uiso 1 1 calc R . . C14 C 0.24501(18) 0.49924(19) 0.35694(18) 0.0140(4) Uani 1 1 d . . . C15 C 0.2052(2) 0.3933(2) 0.3875(2) 0.0215(4) Uani 1 1 d . . . H15A H 0.2092 0.3648 0.3265 0.026 Uiso 1 1 calc R . . C16 C 0.1596(2) 0.3302(2) 0.5085(2) 0.0289(5) Uani 1 1 d . . . H16A H 0.1315 0.2608 0.5281 0.035 Uiso 1 1 calc R . . C17 C 0.1558(2) 0.3701(2) 0.5994(2) 0.0280(5) Uani 1 1 d . . . H17A H 0.1247 0.3281 0.6802 0.034 Uiso 1 1 calc R . . C18 C 0.1984(2) 0.4732(2) 0.5706(2) 0.0261(5) Uani 1 1 d . . . H18A H 0.1974 0.4989 0.6323 0.031 Uiso 1 1 calc R . . C19 C 0.2425(2) 0.5379(2) 0.44960(19) 0.0197(4) Uani 1 1 d . . . H19A H 0.2703 0.6073 0.4305 0.024 Uiso 1 1 calc R . . C20 C 0.14312(18) 0.72849(19) 0.16956(18) 0.0154(4) Uani 1 1 d . . . C21 C 0.0928(2) 0.8156(2) 0.2351(2) 0.0213(4) Uani 1 1 d . . . H21A H 0.1357 0.8068 0.2901 0.026 Uiso 1 1 calc R . . C22 C -0.0215(2) 0.9153(2) 0.2178(2) 0.0242(5) Uani 1 1 d . . . H22A H -0.0543 0.9735 0.2609 0.029 Uiso 1 1 calc R . . C23 C -0.0869(2) 0.9285(2) 0.1365(2) 0.0259(5) Uani 1 1 d . . . H23A H -0.1639 0.9945 0.1262 0.031 Uiso 1 1 calc R . . C24 C -0.0370(2) 0.8431(2) 0.0710(2) 0.0232(4) Uani 1 1 d . . . H24A H -0.0806 0.8519 0.0166 0.028 Uiso 1 1 calc R . . C25 C 0.07821(19) 0.7441(2) 0.08623(19) 0.0186(4) Uani 1 1 d . . . H25A H 0.1121 0.6881 0.0407 0.022 Uiso 1 1 calc R . . C26 C 0.40107(18) 0.65960(19) 0.18966(18) 0.0152(4) Uani 1 1 d . . . H26A H 0.4201 0.7174 0.1075 0.018 Uiso 1 1 calc R . . H26B H 0.3634 0.7108 0.2441 0.018 Uiso 1 1 calc R . . O1 O 0.6914(3) 0.1704(2) 0.6006(2) 0.0608(7) Uani 1 1 d . . . C27 C 0.6349(3) 0.1375(3) 0.5609(2) 0.0346(6) Uani 1 1 d . . . C28 C 0.6859(4) 0.0071(3) 0.5467(4) 0.0643(10) Uani 1 1 d . . . H28A H 0.7680 -0.0379 0.5681 0.096 Uiso 1 1 calc R . . H28B H 0.6937 0.0166 0.4636 0.096 Uiso 1 1 calc R . . H28C H 0.6292 -0.0417 0.5993 0.096 Uiso 1 1 calc R . . C29 C 0.5130(4) 0.2227(5) 0.5243(3) 0.0895(17) Uani 1 1 d . . . H29A H 0.4857 0.3012 0.5433 0.134 Uiso 1 1 calc R . . H29B H 0.4505 0.1790 0.5674 0.134 Uiso 1 1 calc R . . H29C H 0.5231 0.2438 0.4382 0.134 Uiso 1 1 calc R . . 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 0.01463(4) 0.01833(4) 0.01468(4) -0.00893(3) -0.00201(3) -0.00616(3) I1 0.01975(6) 0.01570(6) 0.02288(7) -0.00850(5) -0.00972(5) -0.00202(5) P1 0.0125(2) 0.0150(2) 0.0148(2) -0.00712(19) -0.00351(18) -0.00417(18) P2 0.0128(2) 0.0139(2) 0.0124(2) -0.00546(18) -0.00202(17) -0.00491(18) C1 0.0120(8) 0.0159(9) 0.0204(10) -0.0072(8) -0.0036(7) -0.0052(7) C2 0.0187(10) 0.0212(10) 0.0211(10) -0.0057(8) -0.0070(8) -0.0072(8) C3 0.0238(11) 0.0208(10) 0.0260(12) 0.0013(9) -0.0111(9) -0.0093(9) C4 0.0219(10) 0.0135(9) 0.0371(13) -0.0052(9) -0.0138(9) -0.0045(8) C5 0.0199(10) 0.0201(10) 0.0332(13) -0.0146(9) -0.0050(9) -0.0056(8) C6 0.0219(10) 0.0199(10) 0.0192(10) -0.0089(8) -0.0014(8) -0.0098(8) C7 0.0156(9) 0.0181(9) 0.0174(10) -0.0089(8) -0.0063(7) -0.0019(7) C8 0.0165(9) 0.0246(10) 0.0164(10) -0.0046(8) -0.0025(8) -0.0079(8) C9 0.0158(10) 0.0328(12) 0.0203(11) -0.0073(9) -0.0030(8) -0.0088(9) C10 0.0187(10) 0.0279(11) 0.0305(12) -0.0094(10) -0.0118(9) -0.0021(9) C11 0.0307(13) 0.0171(10) 0.0484(16) -0.0051(10) -0.0212(12) -0.0042(9) C12 0.0263(11) 0.0197(10) 0.0444(15) -0.0084(10) -0.0184(11) -0.0064(9) C13 0.0147(9) 0.0149(9) 0.0155(9) -0.0045(7) -0.0032(7) -0.0061(7) C14 0.0127(8) 0.0161(9) 0.0131(9) -0.0057(7) -0.0017(7) -0.0043(7) C15 0.0274(11) 0.0229(10) 0.0176(10) -0.0048(8) -0.0045(8) -0.0132(9) C16 0.0366(13) 0.0270(12) 0.0230(12) -0.0006(9) -0.0043(10) -0.0190(10) C17 0.0296(12) 0.0298(12) 0.0157(11) -0.0031(9) 0.0002(9) -0.0095(10) C18 0.0321(12) 0.0295(12) 0.0155(10) -0.0097(9) -0.0033(9) -0.0076(10) C19 0.0230(10) 0.0209(10) 0.0171(10) -0.0075(8) -0.0036(8) -0.0078(8) C20 0.0134(9) 0.0138(9) 0.0160(9) -0.0029(7) -0.0019(7) -0.0046(7) C21 0.0190(10) 0.0202(10) 0.0232(11) -0.0086(9) -0.0033(8) -0.0042(8) C22 0.0217(10) 0.0173(10) 0.0310(12) -0.0112(9) -0.0012(9) -0.0038(8) C23 0.0172(10) 0.0169(10) 0.0335(13) -0.0027(9) -0.0034(9) -0.0031(8) C24 0.0189(10) 0.0220(10) 0.0254(11) -0.0021(9) -0.0071(8) -0.0072(8) C25 0.0186(10) 0.0178(9) 0.0171(10) -0.0028(8) -0.0034(8) -0.0070(8) C26 0.0155(9) 0.0147(9) 0.0162(9) -0.0061(7) -0.0020(7) -0.0056(7) O1 0.105(2) 0.0628(15) 0.0388(13) -0.0132(11) -0.0138(13) -0.0531(15) C27 0.0468(16) 0.0320(13) 0.0203(12) -0.0052(10) -0.0090(11) -0.0100(12) C28 0.085(3) 0.0399(18) 0.077(3) -0.0210(18) -0.035(2) -0.0111(18) C29 0.069(3) 0.118(4) 0.0337(19) -0.037(2) -0.0244(18) 0.038(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 P1 2.3143(5) . ? Au1 P2 2.3177(5) . ? Au1 I1 2.97590(18) . ? P1 C7 1.820(2) . ? P1 C1 1.819(2) . ? P1 C13 1.828(2) . ? P2 C14 1.816(2) . ? P2 C20 1.823(2) . ? P2 C26 1.8236(19) . ? C1 C2 1.386(3) . ? C1 C6 1.397(3) . ? C2 C3 1.400(3) . ? C2 H2A 0.9300 . ? C3 C4 1.383(3) . ? C3 H3A 0.9300 . ? C4 C5 1.388(3) . ? C4 H4A 0.9300 . ? C5 C6 1.384(3) . ? C5 H5A 0.9300 . ? C6 H6A 0.9300 . ? C7 C12 1.392(3) . ? C7 C8 1.398(3) . ? C8 C9 1.388(3) . ? C8 H8A 0.9300 . ? C9 C10 1.383(3) . ? C9 H9A 0.9300 . ? C10 C11 1.390(3) . ? C10 H10A 0.9300 . ? C11 C12 1.394(3) . ? C11 H11A 0.9300 . ? C12 H12A 0.9300 . ? C13 C26 1.544(3) 2_665 ? C13 H13A 0.9700 . ? C13 H13B 0.9700 . ? C14 C19 1.392(3) . ? C14 C15 1.395(3) . ? C15 C16 1.390(3) . ? C15 H15A 0.9300 . ? C16 C17 1.375(3) . ? C16 H16A 0.9300 . ? C17 C18 1.388(3) . ? C17 H17A 0.9300 . ? C18 C19 1.390(3) . ? C18 H18A 0.9300 . ? C19 H19A 0.9300 . ? C20 C25 1.396(3) . ? C20 C21 1.399(3) . ? C21 C22 1.390(3) . ? C21 H21A 0.9300 . ? C22 C23 1.390(3) . ? C22 H22A 0.9300 . ? C23 C24 1.383(3) . ? C23 H23A 0.9300 . ? C24 C25 1.392(3) . ? C24 H24A 0.9300 . ? C25 H25A 0.9300 . ? C26 C13 1.544(3) 2_665 ? C26 H26A 0.9700 . ? C26 H26B 0.9700 . ? O1 C27 1.206(3) . ? C27 C29 1.469(4) . ? C27 C28 1.483(4) . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? 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 P1 Au1 P2 152.973(18) . . ? P1 Au1 I1 103.567(13) . . ? P2 Au1 I1 102.789(13) . . ? C7 P1 C1 104.70(9) . . ? C7 P1 C13 104.02(9) . . ? C1 P1 C13 103.61(9) . . ? C7 P1 Au1 115.21(6) . . ? C1 P1 Au1 115.15(7) . . ? C13 P1 Au1 112.84(6) . . ? C14 P2 C20 103.41(9) . . ? C14 P2 C26 105.17(9) . . ? C20 P2 C26 104.39(9) . . ? C14 P2 Au1 115.32(6) . . ? C20 P2 Au1 113.68(7) . . ? C26 P2 Au1 113.67(7) . . ? C2 C1 C6 119.70(18) . . ? C2 C1 P1 119.79(15) . . ? C6 C1 P1 120.50(16) . . ? C1 C2 C3 120.1(2) . . ? C1 C2 H2A 120.0 . . ? C3 C2 H2A 120.0 . . ? C4 C3 C2 119.6(2) . . ? C4 C3 H3A 120.2 . . ? C2 C3 H3A 120.2 . . ? C3 C4 C5 120.6(2) . . ? C3 C4 H4A 119.7 . . ? C5 C4 H4A 119.7 . . ? C6 C5 C4 119.8(2) . . ? C6 C5 H5A 120.1 . . ? C4 C5 H5A 120.1 . . ? C5 C6 C1 120.2(2) . . ? C5 C6 H6A 119.9 . . ? C1 C6 H6A 119.9 . . ? C12 C7 C8 118.89(19) . . ? C12 C7 P1 119.86(16) . . ? C8 C7 P1 121.23(16) . . ? C9 C8 C7 120.5(2) . . ? C9 C8 H8A 119.7 . . ? C7 C8 H8A 119.7 . . ? C10 C9 C8 120.1(2) . . ? C10 C9 H9A 120.0 . . ? C8 C9 H9A 120.0 . . ? C9 C10 C11 120.2(2) . . ? C9 C10 H10A 119.9 . . ? C11 C10 H10A 119.9 . . ? C10 C11 C12 119.7(2) . . ? C10 C11 H11A 120.2 . . ? C12 C11 H11A 120.2 . . ? C7 C12 C11 120.6(2) . . ? C7 C12 H12A 119.7 . . ? C11 C12 H12A 119.7 . . ? C26 C13 P1 110.20(13) 2_665 . ? C26 C13 H13A 109.6 2_665 . ? P1 C13 H13A 109.6 . . ? C26 C13 H13B 109.6 2_665 . ? P1 C13 H13B 109.6 . . ? H13A C13 H13B 108.1 . . ? C19 C14 C15 119.07(19) . . ? C19 C14 P2 122.01(15) . . ? C15 C14 P2 118.75(15) . . ? C16 C15 C14 120.4(2) . . ? C16 C15 H15A 119.8 . . ? C14 C15 H15A 119.8 . . ? C17 C16 C15 120.2(2) . . ? C17 C16 H16A 119.9 . . ? C15 C16 H16A 119.9 . . ? C16 C17 C18 120.1(2) . . ? C16 C17 H17A 120.0 . . ? C18 C17 H17A 120.0 . . ? C19 C18 C17 120.1(2) . . ? C19 C18 H18A 120.0 . . ? C17 C18 H18A 120.0 . . ? C18 C19 C14 120.2(2) . . ? C18 C19 H19A 119.9 . . ? C14 C19 H19A 119.9 . . ? C25 C20 C21 119.23(19) . . ? C25 C20 P2 119.34(15) . . ? C21 C20 P2 121.34(16) . . ? C22 C21 C20 119.9(2) . . ? C22 C21 H21A 120.0 . . ? C20 C21 H21A 120.0 . . ? C21 C22 C23 120.5(2) . . ? C21 C22 H22A 119.8 . . ? C23 C22 H22A 119.8 . . ? C24 C23 C22 119.7(2) . . ? C24 C23 H23A 120.1 . . ? C22 C23 H23A 120.1 . . ? C23 C24 C25 120.3(2) . . ? C23 C24 H24A 119.8 . . ? C25 C24 H24A 119.8 . . ? C24 C25 C20 120.3(2) . . ? C24 C25 H25A 119.9 . . ? C20 C25 H25A 119.9 . . ? C13 C26 P2 112.40(13) 2_665 . ? C13 C26 H26A 109.1 2_665 . ? P2 C26 H26A 109.1 . . ? C13 C26 H26B 109.1 2_665 . ? P2 C26 H26B 109.1 . . ? H26A C26 H26B 107.9 . . ? O1 C27 C29 122.4(3) . . ? O1 C27 C28 121.1(3) . . ? C29 C27 C28 116.5(3) . . ? C27 C28 H28A 109.5 . . ? C27 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C27 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C27 C29 H29A 109.5 . . ? C27 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C27 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? 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 P2 Au1 P1 C7 -0.63(9) . . . . ? I1 Au1 P1 C7 166.32(7) . . . . ? P2 Au1 P1 C1 -122.70(7) . . . . ? I1 Au1 P1 C1 44.25(7) . . . . ? P2 Au1 P1 C13 118.63(7) . . . . ? I1 Au1 P1 C13 -74.42(7) . . . . ? P1 Au1 P2 C14 115.85(8) . . . . ? I1 Au1 P2 C14 -51.14(7) . . . . ? P1 Au1 P2 C20 -3.34(8) . . . . ? I1 Au1 P2 C20 -170.33(7) . . . . ? P1 Au1 P2 C26 -122.59(8) . . . . ? I1 Au1 P2 C26 70.42(7) . . . . ? C7 P1 C1 C2 -111.03(17) . . . . ? C13 P1 C1 C2 140.23(16) . . . . ? Au1 P1 C1 C2 16.53(18) . . . . ? C7 P1 C1 C6 69.04(18) . . . . ? C13 P1 C1 C6 -39.69(18) . . . . ? Au1 P1 C1 C6 -163.40(14) . . . . ? C6 C1 C2 C3 -0.8(3) . . . . ? P1 C1 C2 C3 179.28(16) . . . . ? C1 C2 C3 C4 1.5(3) . . . . ? C2 C3 C4 C5 -0.5(3) . . . . ? C3 C4 C5 C6 -1.1(3) . . . . ? C4 C5 C6 C1 1.8(3) . . . . ? C2 C1 C6 C5 -0.9(3) . . . . ? P1 C1 C6 C5 179.07(16) . . . . ? C1 P1 C7 C12 -157.24(18) . . . . ? C13 P1 C7 C12 -48.8(2) . . . . ? Au1 P1 C7 C12 75.23(19) . . . . ? C1 P1 C7 C8 24.59(19) . . . . ? C13 P1 C7 C8 133.02(17) . . . . ? Au1 P1 C7 C8 -102.94(16) . . . . ? C12 C7 C8 C9 0.6(3) . . . . ? P1 C7 C8 C9 178.77(17) . . . . ? C7 C8 C9 C10 0.5(3) . . . . ? C8 C9 C10 C11 -0.3(4) . . . . ? C9 C10 C11 C12 -1.0(4) . . . . ? C8 C7 C12 C11 -1.9(4) . . . . ? P1 C7 C12 C11 179.9(2) . . . . ? C10 C11 C12 C7 2.2(4) . . . . ? C7 P1 C13 C26 -168.79(13) . . . 2_665 ? C1 P1 C13 C26 -59.55(15) . . . 2_665 ? Au1 P1 C13 C26 65.66(14) . . . 2_665 ? C20 P2 C14 C19 -77.32(18) . . . . ? C26 P2 C14 C19 31.91(19) . . . . ? Au1 P2 C14 C19 157.96(15) . . . . ? C20 P2 C14 C15 97.81(17) . . . . ? C26 P2 C14 C15 -152.96(16) . . . . ? Au1 P2 C14 C15 -26.91(18) . . . . ? C19 C14 C15 C16 2.2(3) . . . . ? P2 C14 C15 C16 -173.10(18) . . . . ? C14 C15 C16 C17 -1.3(4) . . . . ? C15 C16 C17 C18 -0.4(4) . . . . ? C16 C17 C18 C19 1.3(4) . . . . ? C17 C18 C19 C14 -0.5(3) . . . . ? C15 C14 C19 C18 -1.3(3) . . . . ? P2 C14 C19 C18 173.85(17) . . . . ? C14 P2 C20 C25 -117.21(16) . . . . ? C26 P2 C20 C25 132.99(16) . . . . ? Au1 P2 C20 C25 8.57(18) . . . . ? C14 P2 C20 C21 59.30(18) . . . . ? C26 P2 C20 C21 -50.51(19) . . . . ? Au1 P2 C20 C21 -174.92(15) . . . . ? C25 C20 C21 C22 0.8(3) . . . . ? P2 C20 C21 C22 -175.73(16) . . . . ? C20 C21 C22 C23 0.6(3) . . . . ? C21 C22 C23 C24 -1.0(3) . . . . ? C22 C23 C24 C25 0.0(3) . . . . ? C23 C24 C25 C20 1.3(3) . . . . ? C21 C20 C25 C24 -1.7(3) . . . . ? P2 C20 C25 C24 174.85(16) . . . . ? C14 P2 C26 C13 65.09(15) . . . 2_665 ? C20 P2 C26 C13 173.61(14) . . . 2_665 ? Au1 P2 C26 C13 -61.97(15) . . . 2_665 ? _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 30.60 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 1.139 _refine_diff_density_min -0.771 _refine_diff_density_rms 0.096