Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2006 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_section_title ; Aurolysis of a-C-deprotonated group 6 aminocarbene and thiocarbene complexes with Ph3PAu+ ; _publ_contact_author_name 'Helgard G. Raubenheimer' _publ_contact_author_address ; Department of Chemistry University of Stellenbosch Private Bag X1 Matieland, 7602 South Africa ; _publ_contact_author_phone '+27 21 808 3850' _publ_contact_author_fax '+27 21 808 3360' _publ_contact_author_email hgr@sun.ac.za loop_ _publ_author_name _publ_author_address H.G.Raubenheimer ; Department of Chemistry University of Stellenbosch Private Bag X1 Matieland, 7602 South Africa ; M.W.Esterhuysen ; Department of Chemistry University of Stellenbosch Private Bag X1 Matieland, 7602 South Africa ; G.Frenking ; Fachbereich Chemie Philipps-Universitat Marburg Hans-Meerwein-Str. D-35032 Marburg Germany ; C.Esterhuysen ; Department of Chemistry University of Stellenbosch Private Bag X1 Matieland, 7602 South Africa ; ; U.E.I.Horvath ; ; Department of Chemistry University of Stellenbosch Private Bag X1 Matieland, 7602 South Africa ; data_1 _database_code_depnum_ccdc_archive 'CCDC 609579' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C27 H23 Au Cr N O5 P' _chemical_formula_sum 'C27 H23 Au Cr N O5 P' _chemical_formula_weight 721.40 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' Cr Cr 0.3209 0.6236 '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' P P 0.1023 0.0942 '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' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 6.6251(2) _cell_length_b 23.8365(8) _cell_length_c 17.0238(5) _cell_angle_alpha 90.00 _cell_angle_beta 97.5730(10) _cell_angle_gamma 90.00 _cell_volume 2664.94(14) _cell_formula_units_Z 4 _cell_measurement_temperature 178(2) _cell_measurement_reflns_used 8192 _cell_measurement_theta_min 1.7 _cell_measurement_theta_max 25.0 _exptl_crystal_description plate _exptl_crystal_colour yellow _exptl_crystal_size_max 0.33 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.798 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1400 _exptl_absorpt_coefficient_mu 6.003 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.242 _exptl_absorpt_correction_T_max 0.585 _exptl_absorpt_process_details 'Otwinowski and Minor (1997)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 178(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 'Nonius KappaCCD' _diffrn_measurement_method '\f and \w' _diffrn_reflns_number 8192 _diffrn_reflns_av_R_equivalents 0.0494 _diffrn_reflns_av_sigmaI/netI 0.0524 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_h_max 4 _diffrn_reflns_limit_k_min -28 _diffrn_reflns_limit_k_max 28 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 1.71 _diffrn_reflns_theta_max 25.00 _reflns_number_total 4422 _reflns_number_gt 3729 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'COLLECT (Nonius, 1999) ' _computing_cell_refinement 'DENZO-SMN (Otwinowski & Minor, 1997)' _computing_data_reduction DENZO-SMN _computing_structure_solution 'SHELXS (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP FOR WINDOWS (Faruggia, 1997)' _computing_publication_material 'XSeed (Barbour, 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^)+(0.0519P)^2^+1.2138P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary heavy _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 4422 _refine_ls_number_parameters 335 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0442 _refine_ls_R_factor_gt 0.0333 _refine_ls_wR_factor_ref 0.0890 _refine_ls_wR_factor_gt 0.0832 _refine_ls_goodness_of_fit_ref 1.023 _refine_ls_restrained_S_all 1.023 _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 1.3382(9) 0.8101(2) 0.2405(4) 0.0285(13) Uani 1 1 d . . . C2 C 0.9481(8) 0.7319(2) 0.2376(4) 0.0299(14) Uani 1 1 d . . . C3 C 1.3124(8) 0.6824(2) 0.2200(4) 0.0299(13) Uani 1 1 d . . . C4 C 1.4789(9) 0.7268(2) 0.3551(4) 0.0342(14) Uani 1 1 d . . . C5 C 1.1222(8) 0.7745(2) 0.3769(4) 0.0309(14) Uani 1 1 d . . . C6 C 1.1443(8) 0.6675(2) 0.3505(4) 0.0318(14) Uani 1 1 d . . . C7 C 1.1680(7) 0.8258(2) 0.1867(4) 0.0249(12) Uani 1 1 d . . . C8 C 1.3011(10) 0.7795(3) 0.0749(4) 0.0462(17) Uani 1 1 d . . . H8A H 1.4315 0.7826 0.1093 0.069 Uiso 1 1 calc R . . H8B H 1.3150 0.7949 0.0225 0.069 Uiso 1 1 calc R . . H8C H 1.2615 0.7399 0.0696 0.069 Uiso 1 1 calc R . . C9 C 0.9576(9) 0.8187(3) 0.0569(4) 0.0460(17) Uani 1 1 d . . . H9A H 0.8527 0.8336 0.0867 0.069 Uiso 1 1 calc R . . H9B H 0.9125 0.7826 0.0331 0.069 Uiso 1 1 calc R . . H9C H 0.9808 0.8452 0.0149 0.069 Uiso 1 1 calc R . . C11 C 0.8978(7) 1.0106(2) 0.3065(3) 0.0243(12) Uani 1 1 d . . . C12 C 0.8974(9) 1.0282(2) 0.3833(4) 0.0326(13) Uani 1 1 d . . . H12 H 0.8128 1.0100 0.4164 0.039 Uiso 1 1 calc R . . C13 C 1.0207(9) 1.0727(2) 0.4128(4) 0.0386(15) Uani 1 1 d . . . H13 H 1.0219 1.0844 0.4662 0.046 Uiso 1 1 calc R . . C14 C 1.1426(8) 1.1001(2) 0.3641(4) 0.0356(15) Uani 1 1 d . . . H14 H 1.2267 1.1304 0.3844 0.043 Uiso 1 1 calc R . . C15 C 1.1418(8) 1.0835(2) 0.2864(4) 0.0345(15) Uani 1 1 d . . . H15 H 1.2228 1.1028 0.2530 0.041 Uiso 1 1 calc R . . C16 C 1.0230(8) 1.0388(2) 0.2574(4) 0.0315(14) Uani 1 1 d . . . H16 H 1.0247 1.0267 0.2043 0.038 Uiso 1 1 calc R . . C21 C 0.5704(8) 0.9769(2) 0.1848(3) 0.0271(13) Uani 1 1 d . . . C22 C 0.4658(9) 0.9388(2) 0.1324(4) 0.0395(15) Uani 1 1 d . . . H22 H 0.4928 0.8998 0.1390 0.047 Uiso 1 1 calc R . . C23 C 0.3232(10) 0.9568(3) 0.0708(4) 0.0496(18) Uani 1 1 d . . . H23 H 0.2509 0.9304 0.0359 0.059 Uiso 1 1 calc R . . C24 C 0.2874(9) 1.0132(3) 0.0606(4) 0.0466(17) Uani 1 1 d . . . H24 H 0.1895 1.0257 0.0184 0.056 Uiso 1 1 calc R . . C25 C 0.3894(9) 1.0515(3) 0.1098(4) 0.0421(16) Uani 1 1 d . . . H25 H 0.3644 1.0904 0.1012 0.051 Uiso 1 1 calc R . . C26 C 0.5303(8) 1.0340(2) 0.1729(4) 0.0360(15) Uani 1 1 d . . . H26 H 0.5992 1.0609 0.2079 0.043 Uiso 1 1 calc R . . C31 C 0.6126(7) 0.9273(2) 0.3433(4) 0.0245(12) Uani 1 1 d . . . C32 C 0.6797(9) 0.8802(2) 0.3871(4) 0.0309(14) Uani 1 1 d . . . H32 H 0.7940 0.8599 0.3740 0.037 Uiso 1 1 calc R . . C33 C 0.5824(9) 0.8627(2) 0.4491(4) 0.0351(14) Uani 1 1 d . . . H33 H 0.6287 0.8301 0.4780 0.042 Uiso 1 1 calc R . . C34 C 0.4170(9) 0.8923(3) 0.4702(4) 0.0403(16) Uani 1 1 d . . . H34 H 0.3527 0.8810 0.5143 0.048 Uiso 1 1 calc R . . C35 C 0.3487(9) 0.9382(3) 0.4258(5) 0.054(2) Uani 1 1 d . . . H35 H 0.2346 0.9585 0.4392 0.065 Uiso 1 1 calc R . . C36 C 0.4433(9) 0.9558(3) 0.3612(4) 0.0407(16) Uani 1 1 d . . . H36 H 0.3915 0.9870 0.3301 0.049 Uiso 1 1 calc R . . O2 O 0.7895(6) 0.73036(17) 0.2021(3) 0.0457(12) Uani 1 1 d . . . O3 O 1.3738(6) 0.65105(18) 0.1788(3) 0.0449(11) Uani 1 1 d . . . O4 O 1.6365(6) 0.7225(2) 0.3909(3) 0.0550(13) Uani 1 1 d . . . O5 O 1.0649(6) 0.79843(17) 0.4277(3) 0.0421(11) Uani 1 1 d . . . O6 O 1.1012(8) 0.62835(17) 0.3852(3) 0.0465(12) Uani 1 1 d . . . Cr Cr 1.21408(12) 0.72980(3) 0.29667(6) 0.0249(2) Uani 1 1 d . . . Au Au 0.96269(3) 0.881699(8) 0.224624(13) 0.02512(10) Uani 1 1 d . . . P P 0.7546(2) 0.94999(5) 0.26483(9) 0.0255(3) Uani 1 1 d . . . N N 1.1449(7) 0.81078(19) 0.1098(3) 0.0305(11) Uani 1 1 d . . . H1A H 1.351(11) 0.826(3) 0.286(5) 0.06(2) Uiso 1 1 d . . . H1B H 1.451(8) 0.798(3) 0.223(3) 0.035(18) Uiso 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 C1 0.027(3) 0.031(3) 0.029(4) -0.005(3) 0.013(3) -0.002(2) C2 0.032(3) 0.023(3) 0.035(4) 0.001(2) 0.004(3) 0.002(2) C3 0.029(3) 0.029(3) 0.033(4) 0.000(3) 0.008(3) 0.005(2) C4 0.033(3) 0.028(3) 0.041(4) -0.003(3) 0.002(3) 0.003(2) C5 0.028(3) 0.027(3) 0.037(4) 0.005(3) 0.001(3) 0.007(2) C6 0.035(3) 0.032(3) 0.030(4) -0.003(3) 0.007(3) 0.004(2) C7 0.026(3) 0.018(2) 0.032(4) -0.001(2) 0.013(3) -0.003(2) C8 0.052(4) 0.055(4) 0.035(4) -0.010(3) 0.017(3) 0.010(3) C9 0.042(3) 0.060(4) 0.033(4) -0.005(3) -0.005(3) 0.001(3) C11 0.025(3) 0.020(2) 0.028(3) 0.002(2) 0.002(3) 0.004(2) C12 0.036(3) 0.034(3) 0.028(4) -0.001(3) 0.004(3) 0.001(2) C13 0.049(3) 0.037(3) 0.031(4) -0.007(3) 0.005(3) -0.001(3) C14 0.027(3) 0.032(3) 0.045(4) -0.004(3) -0.008(3) -0.006(2) C15 0.027(3) 0.033(3) 0.045(4) 0.011(3) 0.007(3) 0.001(2) C16 0.028(3) 0.031(3) 0.035(4) 0.002(3) 0.005(3) 0.004(2) C21 0.025(3) 0.031(3) 0.026(3) 0.004(3) 0.007(3) -0.002(2) C22 0.047(3) 0.031(3) 0.039(4) -0.003(3) 0.001(3) -0.009(3) C23 0.044(4) 0.057(4) 0.044(5) -0.003(4) -0.009(3) -0.016(3) C24 0.038(3) 0.064(4) 0.036(4) 0.013(4) -0.003(3) -0.005(3) C25 0.041(3) 0.042(3) 0.043(4) 0.012(3) 0.003(3) 0.007(3) C26 0.038(3) 0.028(3) 0.041(4) -0.002(3) 0.005(3) 0.001(2) C31 0.022(2) 0.020(2) 0.031(4) -0.003(2) 0.002(3) 0.002(2) C32 0.031(3) 0.031(3) 0.031(4) -0.001(3) 0.006(3) 0.008(2) C33 0.049(3) 0.028(3) 0.027(4) 0.006(3) 0.000(3) 0.000(3) C34 0.038(3) 0.062(4) 0.021(4) 0.003(3) 0.006(3) -0.005(3) C35 0.037(3) 0.070(5) 0.058(5) 0.012(4) 0.019(4) 0.016(3) C36 0.039(3) 0.049(4) 0.036(4) 0.014(3) 0.014(3) 0.011(3) O2 0.029(2) 0.042(2) 0.064(4) -0.002(2) 0.000(2) 0.0014(19) O3 0.041(2) 0.041(2) 0.056(3) -0.013(2) 0.017(2) 0.002(2) O4 0.035(2) 0.066(3) 0.059(4) -0.006(3) -0.013(2) 0.007(2) O5 0.046(2) 0.041(2) 0.039(3) -0.004(2) 0.005(2) 0.017(2) O6 0.066(3) 0.034(2) 0.040(3) 0.002(2) 0.012(3) -0.004(2) Cr 0.0228(4) 0.0240(4) 0.0279(6) -0.0011(4) 0.0035(4) 0.0014(3) Au 0.02631(14) 0.02226(14) 0.02777(16) -0.00168(9) 0.00720(10) 0.00186(8) P 0.0251(7) 0.0216(7) 0.0303(9) 0.0003(6) 0.0054(7) 0.0018(5) N 0.032(2) 0.039(3) 0.022(3) -0.006(2) 0.010(2) 0.002(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 C7 1.407(8) . ? C1 Cr 2.338(6) . ? C1 H1A 0.85(8) . ? C1 H1B 0.88(6) . ? C2 O2 1.141(6) . ? C2 Cr 1.911(6) . ? C3 O3 1.136(6) . ? C3 Cr 1.905(6) . ? C4 O4 1.142(7) . ? C4 Cr 1.901(6) . ? C5 O5 1.142(7) . ? C5 Cr 1.895(6) . ? C6 O6 1.159(7) . ? C6 Cr 1.837(6) . ? C7 N 1.348(7) . ? C7 Au 2.067(5) . ? C7 Cr 2.947(5) . ? C8 N 1.464(7) . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 N 1.446(8) . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C11 C12 1.374(8) . ? C11 C16 1.422(8) . ? C11 P 1.819(5) . ? C12 C13 1.391(8) . ? C12 H12 0.9500 . ? C13 C14 1.394(9) . ? C13 H13 0.9500 . ? C14 C15 1.380(9) . ? C14 H14 0.9500 . ? C15 C16 1.377(8) . ? C15 H15 0.9500 . ? C16 H16 0.9500 . ? C21 C22 1.393(8) . ? C21 C26 1.395(7) . ? C21 P 1.822(6) . ? C22 C23 1.384(9) . ? C22 H22 0.9500 . ? C23 C24 1.373(9) . ? C23 H23 0.9500 . ? C24 C25 1.357(9) . ? C24 H24 0.9500 . ? C25 C26 1.391(9) . ? C25 H25 0.9500 . ? C26 H26 0.9500 . ? C31 C36 1.379(7) . ? C31 C32 1.388(7) . ? C31 P 1.815(6) . ? C32 C33 1.372(8) . ? C32 H32 0.9500 . ? C33 C34 1.389(9) . ? C33 H33 0.9500 . ? C34 C35 1.373(9) . ? C34 H34 0.9500 . ? C35 C36 1.400(9) . ? C35 H35 0.9500 . ? C36 H36 0.9500 . ? Au P 2.2954(13) . ? 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 C7 C1 Cr 100.9(4) . . ? C7 C1 H1A 117(5) . . ? Cr C1 H1A 89(5) . . ? C7 C1 H1B 121(4) . . ? Cr C1 H1B 103(4) . . ? H1A C1 H1B 117(6) . . ? O2 C2 Cr 176.7(5) . . ? O3 C3 Cr 174.6(5) . . ? O4 C4 Cr 176.9(5) . . ? O5 C5 Cr 175.7(5) . . ? O6 C6 Cr 179.4(6) . . ? N C7 C1 122.8(5) . . ? N C7 Au 118.7(4) . . ? C1 C7 Au 118.2(4) . . ? N C7 Cr 113.6(3) . . ? C1 C7 Cr 51.2(3) . . ? Au C7 Cr 108.6(2) . . ? N C8 H8A 109.5 . . ? N C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? N C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? N C9 H9A 109.5 . . ? N C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? N C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C12 C11 C16 119.3(5) . . ? C12 C11 P 123.3(4) . . ? C16 C11 P 117.4(4) . . ? C11 C12 C13 120.2(6) . . ? C11 C12 H12 119.9 . . ? C13 C12 H12 119.9 . . ? C12 C13 C14 120.0(6) . . ? C12 C13 H13 120.0 . . ? C14 C13 H13 120.0 . . ? C15 C14 C13 120.4(5) . . ? C15 C14 H14 119.8 . . ? C13 C14 H14 119.8 . . ? C16 C15 C14 119.7(6) . . ? C16 C15 H15 120.1 . . ? C14 C15 H15 120.1 . . ? C15 C16 C11 120.3(6) . . ? C15 C16 H16 119.8 . . ? C11 C16 H16 119.8 . . ? C22 C21 C26 118.4(6) . . ? C22 C21 P 118.4(4) . . ? C26 C21 P 123.2(5) . . ? C23 C22 C21 121.0(6) . . ? C23 C22 H22 119.5 . . ? C21 C22 H22 119.5 . . ? C24 C23 C22 119.3(6) . . ? C24 C23 H23 120.4 . . ? C22 C23 H23 120.4 . . ? C25 C24 C23 121.2(6) . . ? C25 C24 H24 119.4 . . ? C23 C24 H24 119.4 . . ? C24 C25 C26 120.2(6) . . ? C24 C25 H25 119.9 . . ? C26 C25 H25 119.9 . . ? C25 C26 C21 120.0(6) . . ? C25 C26 H26 120.0 . . ? C21 C26 H26 120.0 . . ? C36 C31 C32 119.5(5) . . ? C36 C31 P 122.1(4) . . ? C32 C31 P 118.4(4) . . ? C33 C32 C31 120.6(5) . . ? C33 C32 H32 119.7 . . ? C31 C32 H32 119.7 . . ? C32 C33 C34 120.8(5) . . ? C32 C33 H33 119.6 . . ? C34 C33 H33 119.6 . . ? C35 C34 C33 118.4(6) . . ? C35 C34 H34 120.8 . . ? C33 C34 H34 120.8 . . ? C34 C35 C36 121.6(6) . . ? C34 C35 H35 119.2 . . ? C36 C35 H35 119.2 . . ? C31 C36 C35 119.1(6) . . ? C31 C36 H36 120.5 . . ? C35 C36 H36 120.5 . . ? C6 Cr C5 88.2(2) . . ? C6 Cr C4 89.1(3) . . ? C5 Cr C4 90.3(2) . . ? C6 Cr C3 89.7(2) . . ? C5 Cr C3 177.2(2) . . ? C4 Cr C3 87.8(2) . . ? C6 Cr C2 90.5(3) . . ? C5 Cr C2 90.2(2) . . ? C4 Cr C2 179.3(2) . . ? C3 Cr C2 91.7(2) . . ? C6 Cr C1 172.8(2) . . ? C5 Cr C1 89.9(2) . . ? C4 Cr C1 84.0(2) . . ? C3 Cr C1 92.0(2) . . ? C2 Cr C1 96.5(2) . . ? C6 Cr C7 159.0(2) . . ? C5 Cr C7 90.3(2) . . ? C4 Cr C7 111.9(2) . . ? C3 Cr C7 92.4(2) . . ? C2 Cr C7 68.6(2) . . ? C1 Cr C7 27.95(18) . . ? C7 Au P 174.90(13) . . ? C31 P C11 104.1(3) . . ? C31 P C21 107.1(2) . . ? C11 P C21 106.0(2) . . ? C31 P Au 113.49(16) . . ? C11 P Au 112.09(16) . . ? C21 P Au 113.35(19) . . ? C7 N C9 123.3(5) . . ? C7 N C8 122.3(5) . . ? C9 N C8 114.1(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 C2 Cr C1 C7 -0.7(4) . . . . ? _diffrn_measured_fraction_theta_max 0.943 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.943 _refine_diff_density_max 1.828 _refine_diff_density_min -1.158 _refine_diff_density_rms 0.140 #===END data_7 _database_code_depnum_ccdc_archive 'CCDC 609580' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety '1.4827(C29 H20 Au Cr O5 P S). 0.5173(C31 H22 Au Cr O5 P S)' _chemical_formula_sum 'C59.04 H41.04 Au2 Cr2 O10 P2 S2' _chemical_formula_weight 1534.43 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' Cr Cr 0.3209 0.6236 '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' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 12.4049(2) _cell_length_b 20.7908(3) _cell_length_c 23.8896(3) _cell_angle_alpha 90.00 _cell_angle_beta 91.4370(10) _cell_angle_gamma 90.00 _cell_volume 6159.38(15) _cell_formula_units_Z 8 _cell_measurement_temperature 177(2) _cell_measurement_reflns_used 15273 _cell_measurement_theta_min 0.21 _cell_measurement_theta_max 28.28 _exptl_crystal_description prism _exptl_crystal_colour orange _exptl_crystal_size_max 0.35 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.25 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.655 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2973 _exptl_absorpt_coefficient_mu 5.265 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.2601 _exptl_absorpt_correction_T_max 0.3528 _exptl_absorpt_process_details 'Otwinowski and Minor (1997)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 177(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 'Nonius KappaCCD' _diffrn_measurement_method '\f and \w to fill Ewald sphere' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 33837 _diffrn_reflns_av_R_equivalents 0.0328 _diffrn_reflns_av_sigmaI/netI 0.0337 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 25 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_theta_min 1.97 _diffrn_reflns_theta_max 26.00 _reflns_number_total 12099 _reflns_number_gt 10327 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'COLLECT (Nonius, 1999) ' _computing_cell_refinement 'DENZO-SMN (Otwinowski & Minor, 1997)' _computing_data_reduction DENZO-SMN _computing_structure_solution 'SHELXS (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP FOR WINDOWS (Faruggia, 1997)' _computing_publication_material 'XSeed (Barbour, 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^)+(0.0106P)^2^+44.7817P] 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 SHELXL _refine_ls_extinction_coef 0.00017(4) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 12099 _refine_ls_number_parameters 868 _refine_ls_number_restraints 112 _refine_ls_R_factor_all 0.0595 _refine_ls_R_factor_gt 0.0476 _refine_ls_wR_factor_ref 0.1087 _refine_ls_wR_factor_gt 0.1046 _refine_ls_goodness_of_fit_ref 1.225 _refine_ls_restrained_S_all 1.221 _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 S2A S 0.0683(4) 0.7272(2) 0.10001(16) 0.0492(11) Uani 0.517(3) 1 d P A 1 Cr2A Cr -0.0398(3) 0.80154(16) 0.04167(12) 0.0650(11) Uani 0.517(3) 1 d P A 1 C6A C 0.001(2) 0.8727(12) 0.0895(9) 0.089(8) Uani 0.517(3) 1 d P A 1 O6A O 0.019(2) 0.9160(9) 0.1166(8) 0.132(8) Uani 0.517(3) 1 d P A 1 C7A C -0.131(2) 0.8634(17) -0.0037(12) 0.136(13) Uani 0.517(3) 1 d PD A 1 O7A1 O -0.210(2) 0.8790(15) -0.0265(11) 0.076(10) Uiso 0.29(2) 1 d PDU A 1 O7A2 O -0.163(3) 0.9131(13) -0.0157(12) 0.060(10) Uiso 0.23(2) 1 d PDU A 1 C8A C -0.0900(18) 0.7343(13) -0.0084(9) 0.072(6) Uani 0.517(3) 1 d P A 1 O8A O -0.127(3) 0.6957(16) -0.0349(17) 0.091(9) Uani 0.517(3) 1 d P A 1 C9A C -0.156(6) 0.768(3) 0.087(3) 0.11(2) Uani 0.517(3) 1 d P A 1 O9A O -0.232(2) 0.7663(11) 0.1084(9) 0.128(8) Uani 0.517(3) 1 d P A 1 C10A C 0.080(3) 0.818(2) -0.0042(11) 0.060(8) Uani 0.517(3) 1 d P A 1 O10A O 0.1475(18) 0.8310(11) -0.0336(14) 0.074(6) Uani 0.517(3) 1 d P A 1 C11 C 0.2106(17) 0.7445(11) 0.1106(9) 0.054(6) Uani 0.517(3) 1 d P A 1 C12 C 0.2446(19) 0.8043(11) 0.1041(12) 0.055(6) Uani 0.517(3) 1 d P A 1 H12A H 0.1947 0.8373 0.0941 0.066 Uiso 0.517(3) 1 calc PR A 1 H12B H 0.3188 0.8143 0.1095 0.066 Uiso 0.517(3) 1 calc PR A 1 C241 C 0.0712(14) 0.6540(8) 0.0599(7) 0.051(4) Uani 0.517(3) 1 d PDU A 1 C242 C 0.138(4) 0.6432(19) 0.015(2) 0.061(7) Uani 0.517(3) 1 d PDU A 1 H242 H 0.1888 0.6751 0.0056 0.074 Uiso 0.517(3) 1 calc PR A 1 C243 C 0.1314(19) 0.5897(11) -0.0142(9) 0.066(4) Uani 0.517(3) 1 d PDU A 1 H243 H 0.1782 0.5842 -0.0447 0.080 Uiso 0.517(3) 1 calc PR A 1 C244 C 0.0603(16) 0.5418(10) -0.0024(9) 0.071(5) Uani 0.517(3) 1 d PDU A 1 H244 H 0.0587 0.5033 -0.0239 0.085 Uiso 0.517(3) 1 calc PR A 1 C245 C -0.0116(18) 0.5505(11) 0.0425(9) 0.079(5) Uani 0.517(3) 1 d PDU A 1 H245 H -0.0647 0.5194 0.0512 0.094 Uiso 0.517(3) 1 calc PR A 1 C246 C 0.000(2) 0.6043(14) 0.0716(12) 0.070(6) Uani 0.517(3) 1 d PDU A 1 H246 H -0.0446 0.6095 0.1031 0.084 Uiso 0.517(3) 1 calc PR A 1 S2B S 0.1590(6) 0.7468(3) 0.1246(2) 0.0537(15) Uani 0.483(3) 1 d P A 2 Cr2B Cr 0.0344(3) 0.70625(14) 0.04930(12) 0.0553(10) Uani 0.483(3) 1 d P A 2 C6B C 0.146(4) 0.6588(16) 0.0149(18) 0.057(10) Uani 0.483(3) 1 d P A 2 O6B O 0.2002(18) 0.6234(10) -0.0109(9) 0.110(7) Uani 0.483(3) 1 d P A 2 C7B C 0.002(2) 0.6297(10) 0.0894(11) 0.054(6) Uani 0.483(3) 1 d P A 2 O7B O -0.0189(13) 0.5837(7) 0.1106(7) 0.074(4) Uani 0.483(3) 1 d P A 2 C8B C 0.067(2) 0.7775(13) 0.0022(9) 0.064(6) Uani 0.483(3) 1 d P A 2 O8B O 0.097(4) 0.8167(17) -0.0275(15) 0.095(13) Uani 0.483(3) 1 d P A 2 C9B C -0.079(2) 0.7505(13) 0.0826(9) 0.075(7) Uani 0.483(3) 1 d P A 2 O9B O -0.153(3) 0.7830(18) 0.0973(18) 0.089(12) Uani 0.483(3) 1 d P A 2 C10B C -0.068(2) 0.6803(12) -0.0033(10) 0.066(6) Uani 0.483(3) 1 d P A 2 O10B O -0.129(4) 0.6627(16) -0.0372(19) 0.106(12) Uani 0.483(3) 1 d P A 2 C251 C 0.223(3) 0.8174(15) 0.1011(13) 0.104(10) Uani 0.483(3) 1 d PDU A 2 C252 C 0.167(3) 0.8754(10) 0.0981(10) 0.138(9) Uani 0.483(3) 1 d PDU A 2 H252 H 0.0948 0.8777 0.1098 0.166 Uiso 0.483(3) 1 calc PR A 2 C254 C 0.324(3) 0.9345(14) 0.0580(12) 0.172(12) Uani 0.483(3) 1 d PDU A 2 H254 H 0.3555 0.9725 0.0438 0.206 Uiso 0.483(3) 1 calc PR A 2 C253 C 0.219(3) 0.9306(12) 0.0779(10) 0.156(11) Uani 0.483(3) 1 d PDU A 2 H253 H 0.1779 0.9693 0.0776 0.187 Uiso 0.483(3) 1 calc PR A 2 C255 C 0.375(3) 0.8751(12) 0.0619(11) 0.148(10) Uani 0.483(3) 1 d PDU A 2 H255 H 0.4470 0.8724 0.0496 0.178 Uiso 0.483(3) 1 calc PR A 2 C256 C 0.328(3) 0.8191(13) 0.0827(10) 0.114(8) Uani 0.483(3) 1 d PDU A 2 H256 H 0.3702 0.7808 0.0843 0.137 Uiso 0.483(3) 1 calc PR A 2 Au1 Au 0.20902(2) 0.719893(13) 0.258422(13) 0.04025(10) Uani 1 1 d . A . Au2 Au 0.29462(3) 0.668243(15) 0.141547(14) 0.04630(11) Uani 1 1 d . . . Cr1 Cr -0.08237(10) 0.68887(6) 0.28084(5) 0.0400(3) Uani 1 1 d . A . S1 S 0.08463(15) 0.63724(9) 0.24510(8) 0.0389(4) Uani 1 1 d . . . P1 P 0.31791(17) 0.80229(10) 0.28434(9) 0.0432(5) Uani 1 1 d . . . P2 P 0.40089(16) 0.58095(9) 0.15884(9) 0.0406(5) Uani 1 1 d . A . C1 C -0.0091(7) 0.7324(4) 0.3404(4) 0.053(2) Uani 1 1 d . . . C2 C -0.0656(7) 0.7652(4) 0.2381(4) 0.049(2) Uani 1 1 d . . . C3 C -0.1578(6) 0.6537(4) 0.2185(4) 0.0451(19) Uani 1 1 d . . . C4 C -0.1016(7) 0.6135(4) 0.3247(4) 0.048(2) Uani 1 1 d . . . C5 C -0.2106(7) 0.7193(4) 0.3065(4) 0.054(2) Uani 1 1 d . . . O1 O 0.0309(6) 0.7627(3) 0.3758(3) 0.0722(19) Uani 1 1 d . A . O2 O -0.0642(6) 0.8125(3) 0.2148(3) 0.0698(19) Uani 1 1 d . A . O3 O -0.2091(5) 0.6369(3) 0.1803(3) 0.0631(17) Uani 1 1 d . A . O4 O -0.1184(6) 0.5691(3) 0.3506(3) 0.073(2) Uani 1 1 d . A . O5 O -0.2912(5) 0.7373(3) 0.3227(3) 0.077(2) Uani 1 1 d . A . C111 C 0.4281(7) 0.8190(4) 0.2377(3) 0.0459(19) Uani 1 1 d . A . C112 C 0.4973(7) 0.7707(4) 0.2247(4) 0.057(2) Uani 1 1 d . . . H112 H 0.4872 0.7294 0.2406 0.068 Uiso 1 1 calc R A . C113 C 0.5818(8) 0.7803(5) 0.1889(4) 0.068(3) Uani 1 1 d . A . H113 H 0.6285 0.7458 0.1798 0.082 Uiso 1 1 calc R . . C114 C 0.5972(8) 0.8421(5) 0.1662(4) 0.070(3) Uani 1 1 d . . . H114 H 0.6544 0.8497 0.1413 0.084 Uiso 1 1 calc R A . C115 C 0.5294(9) 0.8910(5) 0.1801(5) 0.074(3) Uani 1 1 d . A . H115 H 0.5415 0.9330 0.1659 0.089 Uiso 1 1 calc R . . C116 C 0.4432(7) 0.8802(4) 0.2148(4) 0.056(2) Uani 1 1 d . . . H116 H 0.3947 0.9141 0.2230 0.067 Uiso 1 1 calc R A . C121 C 0.2398(6) 0.8756(4) 0.2884(3) 0.0435(18) Uani 1 1 d . A . C122 C 0.1636(7) 0.8883(4) 0.2473(4) 0.057(2) Uani 1 1 d . . . H122 H 0.1540 0.8590 0.2171 0.069 Uiso 1 1 calc R A . C123 C 0.1007(8) 0.9429(4) 0.2490(4) 0.061(2) Uani 1 1 d . A . H123 H 0.0495 0.9512 0.2197 0.073 Uiso 1 1 calc R . . C124 C 0.1116(7) 0.9852(4) 0.2928(4) 0.056(2) Uani 1 1 d . . . H124 H 0.0673 1.0224 0.2943 0.067 Uiso 1 1 calc R A . C125 C 0.1885(8) 0.9731(4) 0.3350(4) 0.058(2) Uani 1 1 d . A . H125 H 0.1975 1.0027 0.3650 0.069 Uiso 1 1 calc R . . C126 C 0.2512(7) 0.9187(4) 0.3336(4) 0.053(2) Uani 1 1 d . . . H126 H 0.3021 0.9102 0.3630 0.064 Uiso 1 1 calc R A . C131 C 0.3814(7) 0.7910(4) 0.3521(4) 0.049(2) Uani 1 1 d . A . C132 C 0.3239(8) 0.7600(5) 0.3934(4) 0.067(3) Uani 1 1 d . . . H132 H 0.2542 0.7429 0.3853 0.080 Uiso 1 1 calc R A . C133 C 0.3706(10) 0.7546(7) 0.4470(5) 0.092(4) Uani 1 1 d . A . H133 H 0.3331 0.7323 0.4752 0.110 Uiso 1 1 calc R . . C134 C 0.4691(11) 0.7808(8) 0.4596(6) 0.106(5) Uani 1 1 d . . . H134 H 0.4982 0.7782 0.4967 0.127 Uiso 1 1 calc R A . C135 C 0.5267(10) 0.8113(8) 0.4183(5) 0.103(5) Uani 1 1 d . A . H135 H 0.5969 0.8278 0.4262 0.124 Uiso 1 1 calc R . . C136 C 0.4808(8) 0.8170(5) 0.3658(4) 0.071(3) Uani 1 1 d . . . H136 H 0.5187 0.8397 0.3380 0.085 Uiso 1 1 calc R A . C141 C 0.1349(6) 0.5804(3) 0.2954(3) 0.0393(17) Uani 1 1 d . A . C142 C 0.1591(8) 0.5969(4) 0.3511(4) 0.062(2) Uani 1 1 d . . . H142 H 0.1485 0.6398 0.3634 0.074 Uiso 1 1 calc R A . C143 C 0.1984(9) 0.5510(6) 0.3882(5) 0.076(3) Uani 1 1 d . A . H143 H 0.2162 0.5626 0.4258 0.091 Uiso 1 1 calc R . . C144 C 0.2117(10) 0.4883(5) 0.3705(5) 0.087(4) Uani 1 1 d . . . H144 H 0.2374 0.4566 0.3961 0.104 Uiso 1 1 calc R A . C145 C 0.1881(9) 0.4720(5) 0.3165(5) 0.072(3) Uani 1 1 d . A . H145 H 0.1976 0.4288 0.3047 0.087 Uiso 1 1 calc R . . C146 C 0.1505(7) 0.5175(4) 0.2783(4) 0.055(2) Uani 1 1 d . . . H146 H 0.1355 0.5056 0.2405 0.066 Uiso 1 1 calc R A . C211 C 0.5026(6) 0.5691(4) 0.1068(3) 0.048(2) Uani 1 1 d . . . C212 C 0.5245(8) 0.5097(5) 0.0844(4) 0.063(3) Uani 1 1 d . A . H212 H 0.4833 0.4733 0.0950 0.076 Uiso 1 1 calc R . . C213 C 0.6084(9) 0.5026(7) 0.0455(5) 0.082(4) Uani 1 1 d . . . H213 H 0.6240 0.4617 0.0300 0.098 Uiso 1 1 calc R A . C214 C 0.6661(9) 0.5554(9) 0.0310(4) 0.091(4) Uani 1 1 d . A . H214 H 0.7221 0.5510 0.0048 0.109 Uiso 1 1 calc R . . C215 C 0.6455(9) 0.6141(8) 0.0529(5) 0.089(4) Uani 1 1 d . . . H215 H 0.6879 0.6501 0.0426 0.107 Uiso 1 1 calc R A . C216 C 0.5624(8) 0.6221(5) 0.0906(4) 0.067(3) Uani 1 1 d . A . H216 H 0.5467 0.6636 0.1050 0.080 Uiso 1 1 calc R . . C221 C 0.3206(6) 0.5075(4) 0.1576(3) 0.0446(18) Uani 1 1 d . . . C222 C 0.3467(7) 0.4550(4) 0.1918(4) 0.051(2) Uani 1 1 d . A . H222 H 0.4078 0.4569 0.2165 0.061 Uiso 1 1 calc R . . C223 C 0.2842(7) 0.4007(4) 0.1898(4) 0.058(2) Uani 1 1 d . . . H223 H 0.3027 0.3648 0.2127 0.069 Uiso 1 1 calc R A . C224 C 0.1938(8) 0.3978(4) 0.1543(5) 0.068(3) Uani 1 1 d . A . H224 H 0.1507 0.3601 0.1529 0.082 Uiso 1 1 calc R . . C225 C 0.1668(8) 0.4499(5) 0.1213(4) 0.068(3) Uani 1 1 d . . . H225 H 0.1046 0.4478 0.0973 0.081 Uiso 1 1 calc R A . C226 C 0.2285(7) 0.5049(4) 0.1224(4) 0.056(2) Uani 1 1 d . A . H226 H 0.2090 0.5407 0.0996 0.067 Uiso 1 1 calc R . . C231 C 0.4745(6) 0.5792(3) 0.2253(3) 0.0410(17) Uani 1 1 d . . . C232 C 0.5804(7) 0.5580(4) 0.2305(4) 0.050(2) Uani 1 1 d . A . H232 H 0.6171 0.5452 0.1979 0.061 Uiso 1 1 calc R . . C233 C 0.6332(7) 0.5550(5) 0.2816(4) 0.060(2) Uani 1 1 d . . . H233 H 0.7049 0.5391 0.2846 0.072 Uiso 1 1 calc R A . C234 C 0.5805(8) 0.5755(5) 0.3288(4) 0.065(3) Uani 1 1 d . A . H234 H 0.6167 0.5752 0.3643 0.078 Uiso 1 1 calc R . . C235 C 0.4752(8) 0.5966(5) 0.3240(4) 0.064(3) Uani 1 1 d . . . H235 H 0.4387 0.6099 0.3565 0.077 Uiso 1 1 calc R A . C236 C 0.4229(7) 0.5984(4) 0.2734(4) 0.053(2) Uani 1 1 d . A . H236 H 0.3504 0.6130 0.2708 0.064 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 S2A 0.059(3) 0.052(2) 0.037(2) 0.0060(18) 0.0105(19) 0.026(2) Cr2A 0.073(2) 0.078(2) 0.0452(17) 0.0189(14) 0.0195(14) 0.0409(17) C6A 0.13(2) 0.075(15) 0.060(13) 0.019(12) 0.026(13) 0.055(15) O6A 0.21(2) 0.083(12) 0.099(14) -0.014(11) 0.018(14) 0.079(14) C7A 0.11(2) 0.20(4) 0.10(2) -0.03(2) 0.027(19) 0.03(2) C8A 0.062(13) 0.11(2) 0.049(12) 0.014(12) 0.010(10) 0.024(13) O8A 0.069(14) 0.13(3) 0.073(15) -0.02(2) -0.006(11) 0.014(18) C9A 0.15(4) 0.06(2) 0.12(4) -0.02(2) 0.08(3) 0.00(2) O9A 0.114(16) 0.151(19) 0.124(17) 0.028(13) 0.077(14) 0.057(15) C10A 0.083(17) 0.066(17) 0.032(15) 0.018(17) 0.013(14) 0.013(14) O10A 0.088(14) 0.069(15) 0.065(12) 0.015(12) 0.018(11) 0.001(10) C11 0.046(12) 0.061(13) 0.053(13) -0.006(10) -0.009(9) 0.031(11) C12 0.059(12) 0.052(14) 0.055(14) -0.004(10) 0.000(10) 0.009(10) C241 0.058(9) 0.053(8) 0.041(8) 0.007(7) -0.009(7) 0.028(7) C242 0.070(15) 0.053(13) 0.062(15) -0.001(10) 0.008(10) 0.013(11) C243 0.079(12) 0.064(11) 0.055(10) -0.006(8) 0.000(9) 0.020(8) C244 0.074(12) 0.065(10) 0.074(12) -0.025(9) -0.013(8) 0.009(8) C245 0.081(12) 0.073(11) 0.082(13) -0.006(9) 0.001(9) 0.010(9) C246 0.071(13) 0.070(14) 0.069(15) -0.001(10) 0.012(11) 0.015(11) S2B 0.074(5) 0.039(2) 0.049(3) 0.005(2) 0.008(3) 0.022(3) Cr2B 0.083(2) 0.0446(17) 0.0394(17) 0.0018(12) 0.0185(15) 0.0050(15) C6B 0.08(2) 0.044(17) 0.044(14) -0.010(12) 0.024(13) 0.007(14) O6B 0.133(17) 0.089(14) 0.110(15) -0.010(11) 0.065(14) 0.027(12) C7B 0.070(14) 0.039(12) 0.055(14) 0.007(10) 0.022(12) 0.000(11) O7B 0.085(11) 0.058(10) 0.078(11) -0.001(8) 0.015(9) -0.002(8) C8B 0.098(17) 0.057(13) 0.037(11) 0.011(11) 0.014(10) -0.003(13) O8B 0.18(4) 0.061(14) 0.043(17) 0.022(15) -0.01(3) -0.036(19) C9B 0.084(17) 0.098(19) 0.044(12) 0.014(12) -0.004(12) 0.025(15) O9B 0.071(16) 0.12(3) 0.079(15) -0.028(16) -0.001(12) 0.069(18) C10B 0.084(17) 0.060(15) 0.054(13) -0.006(11) 0.023(12) 0.001(13) O10B 0.12(2) 0.13(3) 0.063(14) -0.04(2) 0.000(12) -0.03(2) C251 0.21(3) 0.046(10) 0.058(17) -0.009(11) -0.031(18) 0.011(15) C252 0.29(3) 0.046(11) 0.080(16) -0.005(11) -0.042(18) 0.037(14) C254 0.30(3) 0.074(11) 0.14(2) -0.004(15) -0.12(2) -0.056(18) C253 0.33(3) 0.037(9) 0.100(19) -0.017(11) -0.08(2) 0.006(16) C255 0.22(2) 0.098(15) 0.13(2) 0.022(16) -0.080(18) -0.057(15) C256 0.18(2) 0.073(12) 0.083(17) 0.004(12) -0.063(16) -0.032(14) Au1 0.04019(16) 0.02872(15) 0.05209(19) -0.00541(13) 0.00617(13) -0.00058(12) Au2 0.0550(2) 0.03346(16) 0.0504(2) 0.00261(13) 0.00012(14) 0.00691(13) Cr1 0.0426(7) 0.0320(6) 0.0458(7) -0.0007(5) 0.0048(5) 0.0041(5) S1 0.0403(10) 0.0305(9) 0.0458(11) -0.0051(8) 0.0009(8) -0.0005(8) P1 0.0440(11) 0.0327(10) 0.0530(13) -0.0066(9) 0.0011(9) -0.0043(8) P2 0.0379(10) 0.0338(10) 0.0505(12) -0.0028(9) 0.0043(9) 0.0043(8) C1 0.066(6) 0.043(5) 0.050(5) -0.009(4) 0.013(4) 0.011(4) C2 0.055(5) 0.037(4) 0.054(5) -0.002(4) 0.010(4) 0.003(4) C3 0.039(4) 0.039(4) 0.058(5) 0.002(4) 0.007(4) 0.008(3) C4 0.044(4) 0.045(5) 0.056(5) 0.005(4) 0.006(4) 0.002(4) C5 0.055(5) 0.038(4) 0.069(6) -0.001(4) 0.009(4) 0.007(4) O1 0.083(5) 0.073(5) 0.061(4) -0.029(4) 0.003(4) 0.005(4) O2 0.092(5) 0.041(4) 0.076(5) 0.014(3) 0.006(4) 0.007(3) O3 0.065(4) 0.061(4) 0.063(4) 0.000(3) -0.013(3) -0.005(3) O4 0.071(4) 0.065(4) 0.084(5) 0.029(4) 0.007(4) -0.008(4) O5 0.062(4) 0.063(4) 0.107(6) -0.008(4) 0.029(4) 0.013(3) C111 0.052(5) 0.038(4) 0.047(5) -0.007(4) 0.000(4) -0.012(4) C112 0.056(5) 0.050(5) 0.066(6) -0.004(4) 0.015(4) -0.010(4) C113 0.067(6) 0.058(6) 0.082(7) -0.018(5) 0.017(5) -0.010(5) C114 0.066(6) 0.080(7) 0.064(6) -0.015(5) 0.014(5) -0.033(6) C115 0.091(8) 0.054(6) 0.078(7) 0.002(5) 0.013(6) -0.027(6) C116 0.059(5) 0.044(5) 0.065(6) 0.000(4) 0.002(5) -0.011(4) C121 0.045(4) 0.031(4) 0.054(5) -0.004(3) 0.000(4) 0.001(3) C122 0.062(6) 0.042(5) 0.067(6) -0.014(4) -0.008(5) -0.006(4) C123 0.062(6) 0.043(5) 0.078(7) -0.007(5) -0.011(5) 0.001(4) C124 0.052(5) 0.039(5) 0.077(7) -0.009(4) 0.001(5) 0.003(4) C125 0.071(6) 0.042(5) 0.061(6) -0.012(4) 0.012(5) 0.001(4) C126 0.062(5) 0.041(4) 0.056(5) -0.011(4) -0.009(4) 0.005(4) C131 0.051(5) 0.039(4) 0.059(5) -0.004(4) 0.004(4) 0.003(4) C132 0.060(6) 0.076(7) 0.065(6) 0.003(5) -0.001(5) -0.005(5) C133 0.092(9) 0.121(11) 0.062(7) 0.017(7) 0.006(6) -0.026(8) C134 0.096(9) 0.149(13) 0.073(8) 0.016(8) -0.020(7) -0.032(9) C135 0.072(8) 0.156(13) 0.080(9) 0.014(9) -0.015(7) -0.032(8) C136 0.060(6) 0.082(7) 0.069(7) 0.011(6) -0.007(5) -0.021(5) C141 0.033(4) 0.029(4) 0.056(5) -0.001(3) 0.004(3) -0.003(3) C142 0.079(7) 0.046(5) 0.060(6) 0.002(4) -0.002(5) 0.013(5) C143 0.077(7) 0.084(8) 0.066(7) 0.014(6) -0.014(5) 0.016(6) C144 0.106(9) 0.064(7) 0.090(9) 0.027(6) 0.016(7) 0.037(7) C145 0.086(7) 0.043(5) 0.088(8) 0.008(5) 0.010(6) 0.022(5) C146 0.061(5) 0.036(4) 0.067(6) -0.005(4) 0.013(5) 0.007(4) C211 0.037(4) 0.063(5) 0.044(5) -0.002(4) 0.004(4) 0.004(4) C212 0.058(6) 0.074(7) 0.058(6) -0.011(5) 0.003(5) 0.017(5) C213 0.065(7) 0.120(10) 0.060(7) -0.024(7) 0.000(5) 0.033(7) C214 0.056(7) 0.176(15) 0.042(6) -0.012(8) 0.010(5) 0.024(8) C215 0.061(7) 0.144(12) 0.064(7) 0.016(8) 0.011(6) -0.016(7) C216 0.068(6) 0.080(7) 0.054(6) -0.001(5) 0.009(5) -0.007(5) C221 0.047(4) 0.033(4) 0.054(5) -0.003(3) 0.003(4) 0.009(3) C222 0.050(5) 0.033(4) 0.068(6) 0.002(4) -0.001(4) 0.004(4) C223 0.057(5) 0.034(4) 0.083(7) 0.002(4) -0.005(5) 0.006(4) C224 0.066(6) 0.037(5) 0.100(8) -0.005(5) -0.013(6) -0.013(4) C225 0.060(6) 0.057(6) 0.084(7) -0.011(5) -0.026(5) -0.006(5) C226 0.050(5) 0.042(5) 0.074(6) -0.006(4) -0.014(4) 0.005(4) C231 0.040(4) 0.029(4) 0.054(5) -0.001(3) 0.006(4) -0.002(3) C232 0.042(4) 0.054(5) 0.055(5) -0.004(4) 0.004(4) -0.002(4) C233 0.041(5) 0.064(6) 0.075(7) 0.000(5) -0.006(4) -0.001(4) C234 0.066(6) 0.070(6) 0.058(6) 0.000(5) -0.016(5) -0.003(5) C235 0.067(6) 0.073(7) 0.053(6) -0.009(5) 0.004(5) 0.004(5) C236 0.050(5) 0.049(5) 0.060(6) 0.004(4) 0.006(4) 0.010(4) _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 S2A C241 1.799(17) . ? S2A C11 1.81(2) . ? S2A Cr2A 2.457(5) . ? Cr2A C10A 1.90(4) . ? Cr2A C6A 1.93(3) . ? Cr2A C8A 1.93(3) . ? Cr2A C9A 1.95(7) . ? Cr2A C7A 2.01(2) . ? C6A O6A 1.13(3) . ? C7A O7A2 1.141(10) . ? C7A O7A1 1.152(10) . ? O7A1 O7A2 0.95(3) . ? C8A O8A 1.11(4) . ? C9A O9A 1.08(7) . ? C10A O10A 1.14(5) . ? C11 C12 1.32(3) . ? C11 Au2 2.03(2) . ? C12 H12A 0.9500 . ? C12 H12B 0.9500 . ? C241 C242 1.38(6) . ? C241 C246 1.39(3) . ? C242 C243 1.32(5) . ? C242 H242 0.9500 . ? C243 C244 1.36(3) . ? C243 H243 0.9500 . ? C244 C245 1.42(3) . ? C244 H244 0.9500 . ? C245 C246 1.32(3) . ? C245 H245 0.9500 . ? C246 H246 0.9500 . ? S2B C251 1.77(4) . ? S2B Au2 2.373(6) . ? S2B Cr2B 2.490(8) . ? Cr2B C10B 1.85(3) . ? Cr2B C9B 1.88(3) . ? Cr2B C6B 1.90(5) . ? Cr2B C7B 1.91(2) . ? Cr2B C8B 1.91(2) . ? C6B O6B 1.18(5) . ? C7B O7B 1.11(3) . ? C8B O8B 1.15(3) . ? C9B O9B 1.19(5) . ? C10B O10B 1.16(5) . ? C251 C256 1.388(10) . ? C251 C252 1.392(10) . ? C252 C253 1.404(10) . ? C252 H252 0.9500 . ? C254 C255 1.393(10) . ? C254 C253 1.400(10) . ? C254 H254 0.9500 . ? C253 H253 0.9500 . ? C255 C256 1.396(10) . ? C255 H255 0.9500 . ? C256 H256 0.9500 . ? Au1 P1 2.258(2) . ? Au1 S1 2.3261(18) . ? Au1 Au2 3.1977(4) . ? Au2 P2 2.275(2) . ? Cr1 C5 1.832(9) . ? Cr1 C3 1.887(9) . ? Cr1 C1 1.898(10) . ? Cr1 C2 1.901(9) . ? Cr1 C4 1.903(9) . ? Cr1 S1 2.502(2) . ? S1 C141 1.787(8) . ? P1 C131 1.798(9) . ? P1 C121 1.811(8) . ? P1 C111 1.819(8) . ? P2 C211 1.810(8) . ? P2 C231 1.812(8) . ? P2 C221 1.823(8) . ? C1 O1 1.156(10) . ? C2 O2 1.130(10) . ? C3 O3 1.153(10) . ? C4 O4 1.134(10) . ? C5 O5 1.144(10) . ? C111 C112 1.361(12) . ? C111 C116 1.400(11) . ? C112 C113 1.384(12) . ? C112 H112 0.9500 . ? C113 C114 1.410(14) . ? C113 H113 0.9500 . ? C114 C115 1.367(15) . ? C114 H114 0.9500 . ? C115 C116 1.387(13) . ? C115 H115 0.9500 . ? C116 H116 0.9500 . ? C121 C122 1.371(12) . ? C121 C126 1.407(11) . ? C122 C123 1.378(12) . ? C122 H122 0.9500 . ? C123 C124 1.371(12) . ? C123 H123 0.9500 . ? C124 C125 1.393(13) . ? C124 H124 0.9500 . ? C125 C126 1.373(12) . ? C125 H125 0.9500 . ? C126 H126 0.9500 . ? C131 C136 1.379(12) . ? C131 C132 1.389(13) . ? C132 C133 1.397(15) . ? C132 H132 0.9500 . ? C133 C134 1.364(16) . ? C133 H133 0.9500 . ? C134 C135 1.386(17) . ? C134 H134 0.9500 . ? C135 C136 1.368(15) . ? C135 H135 0.9500 . ? C136 H136 0.9500 . ? C141 C146 1.386(10) . ? C141 C142 1.398(12) . ? C142 C143 1.383(13) . ? C142 H142 0.9500 . ? C143 C144 1.382(15) . ? C143 H143 0.9500 . ? C144 C145 1.359(16) . ? C144 H144 0.9500 . ? C145 C146 1.386(13) . ? C145 H145 0.9500 . ? C146 H146 0.9500 . ? C211 C212 1.375(12) . ? C211 C216 1.389(13) . ? C212 C213 1.420(14) . ? C212 H212 0.9500 . ? C213 C214 1.359(18) . ? C213 H213 0.9500 . ? C214 C215 1.356(18) . ? C214 H214 0.9500 . ? C215 C216 1.394(14) . ? C215 H215 0.9500 . ? C216 H216 0.9500 . ? C221 C222 1.398(11) . ? C221 C226 1.402(12) . ? C222 C223 1.370(11) . ? C222 H222 0.9500 . ? C223 C224 1.389(13) . ? C223 H223 0.9500 . ? C224 C225 1.376(13) . ? C224 H224 0.9500 . ? C225 C226 1.376(12) . ? C225 H225 0.9500 . ? C226 H226 0.9500 . ? C231 C232 1.387(11) . ? C231 C236 1.387(11) . ? C232 C233 1.373(12) . ? C232 H232 0.9500 . ? C233 C234 1.385(13) . ? C233 H233 0.9500 . ? C234 C235 1.380(13) . ? C234 H234 0.9500 . ? C235 C236 1.359(13) . ? C235 H235 0.9500 . ? C236 H236 0.9500 . ? 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 C241 S2A C11 102.1(9) . . ? C241 S2A Cr2A 104.4(5) . . ? C11 S2A Cr2A 118.0(8) . . ? C10A Cr2A C6A 90.2(15) . . ? C10A Cr2A C8A 91.2(14) . . ? C6A Cr2A C8A 175.5(10) . . ? C10A Cr2A C9A 170(2) . . ? C6A Cr2A C9A 98(2) . . ? C8A Cr2A C9A 82(2) . . ? C10A Cr2A C7A 90.6(13) . . ? C6A Cr2A C7A 88.0(12) . . ? C8A Cr2A C7A 87.7(13) . . ? C9A Cr2A C7A 97(2) . . ? C10A Cr2A S2A 91.1(10) . . ? C6A Cr2A S2A 90.8(6) . . ? C8A Cr2A S2A 93.4(7) . . ? C9A Cr2A S2A 81.9(19) . . ? C7A Cr2A S2A 177.9(8) . . ? O6A C6A Cr2A 175(2) . . ? O7A2 C7A O7A1 48.7(19) . . ? O7A2 C7A Cr2A 154(3) . . ? O7A1 C7A Cr2A 153(3) . . ? O7A2 O7A1 C7A 65.0(12) . . ? O7A1 O7A2 C7A 66.3(12) . . ? O8A C8A Cr2A 174(2) . . ? O9A C9A Cr2A 159(5) . . ? O10A C10A Cr2A 175(3) . . ? C12 C11 S2A 118.8(16) . . ? C12 C11 Au2 128.0(18) . . ? S2A C11 Au2 112.7(13) . . ? C11 C12 H12A 120.0 . . ? C11 C12 H12B 120.0 . . ? H12A C12 H12B 120.0 . . ? C242 C241 C246 115(2) . . ? C242 C241 S2A 125(2) . . ? C246 C241 S2A 119.9(16) . . ? C243 C242 C241 121(4) . . ? C243 C242 H242 119.3 . . ? C241 C242 H242 119.3 . . ? C242 C243 C244 122(3) . . ? C242 C243 H243 118.8 . . ? C244 C243 H243 118.8 . . ? C243 C244 C245 118.9(19) . . ? C243 C244 H244 120.6 . . ? C245 C244 H244 120.6 . . ? C246 C245 C244 116(2) . . ? C246 C245 H245 121.8 . . ? C244 C245 H245 121.8 . . ? C245 C246 C241 126(2) . . ? C245 C246 H246 117.2 . . ? C241 C246 H246 117.2 . . ? C251 S2B Au2 107.6(10) . . ? C251 S2B Cr2B 109.1(10) . . ? Au2 S2B Cr2B 108.3(2) . . ? C10B Cr2B C9B 85.4(11) . . ? C10B Cr2B C6B 92.8(13) . . ? C9B Cr2B C6B 177.8(14) . . ? C10B Cr2B C7B 86.9(11) . . ? C9B Cr2B C7B 91.4(11) . . ? C6B Cr2B C7B 87.1(14) . . ? C10B Cr2B C8B 88.7(10) . . ? C9B Cr2B C8B 92.3(11) . . ? C6B Cr2B C8B 89.0(14) . . ? C7B Cr2B C8B 174.0(10) . . ? C10B Cr2B S2B 174.6(7) . . ? C9B Cr2B S2B 89.2(8) . . ? C6B Cr2B S2B 92.6(11) . . ? C7B Cr2B S2B 93.2(9) . . ? C8B Cr2B S2B 91.6(8) . . ? O6B C6B Cr2B 168(3) . . ? O7B C7B Cr2B 177(2) . . ? O8B C8B Cr2B 172(3) . . ? O9B C9B Cr2B 171(3) . . ? O10B C10B Cr2B 177(3) . . ? C256 C251 C252 116(4) . . ? C256 C251 S2B 124(2) . . ? C252 C251 S2B 120(3) . . ? C251 C252 C253 120(3) . . ? C251 C252 H252 120.1 . . ? C253 C252 H252 120.1 . . ? C255 C254 C253 111(3) . . ? C255 C254 H254 124.7 . . ? C253 C254 H254 124.7 . . ? C254 C253 C252 127(3) . . ? C254 C253 H253 116.6 . . ? C252 C253 H253 116.6 . . ? C254 C255 C256 125(3) . . ? C254 C255 H255 117.6 . . ? C256 C255 H255 117.6 . . ? C251 C256 C255 122(4) . . ? C251 C256 H256 118.8 . . ? C255 C256 H256 118.8 . . ? P1 Au1 S1 171.12(7) . . ? P1 Au1 Au2 106.54(6) . . ? S1 Au1 Au2 82.31(5) . . ? C11 Au2 P2 168.7(7) . . ? C11 Au2 S2B 16.9(7) . . ? P2 Au2 S2B 170.25(17) . . ? C11 Au2 Au1 82.9(6) . . ? P2 Au2 Au1 108.24(5) . . ? S2B Au2 Au1 70.61(14) . . ? C5 Cr1 C3 88.9(4) . . ? C5 Cr1 C1 89.3(4) . . ? C3 Cr1 C1 174.3(4) . . ? C5 Cr1 C2 90.0(4) . . ? C3 Cr1 C2 87.6(4) . . ? C1 Cr1 C2 87.0(4) . . ? C5 Cr1 C4 88.7(4) . . ? C3 Cr1 C4 92.8(4) . . ? C1 Cr1 C4 92.5(4) . . ? C2 Cr1 C4 178.6(4) . . ? C5 Cr1 S1 174.7(3) . . ? C3 Cr1 S1 87.9(2) . . ? C1 Cr1 S1 94.3(3) . . ? C2 Cr1 S1 94.1(3) . . ? C4 Cr1 S1 87.2(2) . . ? C141 S1 Au1 100.2(2) . . ? C141 S1 Cr1 109.4(3) . . ? Au1 S1 Cr1 100.86(7) . . ? C131 P1 C121 106.5(4) . . ? C131 P1 C111 104.9(4) . . ? C121 P1 C111 106.4(4) . . ? C131 P1 Au1 113.2(3) . . ? C121 P1 Au1 109.6(3) . . ? C111 P1 Au1 115.5(3) . . ? C211 P2 C231 104.7(4) . . ? C211 P2 C221 105.3(4) . . ? C231 P2 C221 105.1(4) . . ? C211 P2 Au2 113.3(3) . . ? C231 P2 Au2 116.9(2) . . ? C221 P2 Au2 110.6(3) . . ? O1 C1 Cr1 175.1(8) . . ? O2 C2 Cr1 173.7(8) . . ? O3 C3 Cr1 174.1(7) . . ? O4 C4 Cr1 176.6(8) . . ? O5 C5 Cr1 178.9(8) . . ? C112 C111 C116 119.3(8) . . ? C112 C111 P1 119.1(6) . . ? C116 C111 P1 121.5(7) . . ? C111 C112 C113 121.8(9) . . ? C111 C112 H112 119.1 . . ? C113 C112 H112 119.1 . . ? C112 C113 C114 118.7(9) . . ? C112 C113 H113 120.6 . . ? C114 C113 H113 120.6 . . ? C115 C114 C113 119.7(9) . . ? C115 C114 H114 120.2 . . ? C113 C114 H114 120.2 . . ? C114 C115 C116 120.9(9) . . ? C114 C115 H115 119.6 . . ? C116 C115 H115 119.6 . . ? C115 C116 C111 119.5(9) . . ? C115 C116 H116 120.2 . . ? C111 C116 H116 120.2 . . ? C122 C121 C126 118.8(7) . . ? C122 C121 P1 118.9(6) . . ? C126 C121 P1 122.2(6) . . ? C121 C122 C123 121.2(8) . . ? C121 C122 H122 119.4 . . ? C123 C122 H122 119.4 . . ? C124 C123 C122 120.4(9) . . ? C124 C123 H123 119.8 . . ? C122 C123 H123 119.8 . . ? C123 C124 C125 119.2(8) . . ? C123 C124 H124 120.4 . . ? C125 C124 H124 120.4 . . ? C126 C125 C124 120.6(8) . . ? C126 C125 H125 119.7 . . ? C124 C125 H125 119.7 . . ? C125 C126 C121 119.8(8) . . ? C125 C126 H126 120.1 . . ? C121 C126 H126 120.1 . . ? C136 C131 C132 119.1(9) . . ? C136 C131 P1 122.1(7) . . ? C132 C131 P1 118.5(7) . . ? C131 C132 C133 118.6(10) . . ? C131 C132 H132 120.7 . . ? C133 C132 H132 120.7 . . ? C134 C133 C132 121.2(11) . . ? C134 C133 H133 119.4 . . ? C132 C133 H133 119.4 . . ? C133 C134 C135 120.0(12) . . ? C133 C134 H134 120.0 . . ? C135 C134 H134 120.0 . . ? C136 C135 C134 118.8(11) . . ? C136 C135 H135 120.6 . . ? C134 C135 H135 120.6 . . ? C135 C136 C131 122.2(10) . . ? C135 C136 H136 118.9 . . ? C131 C136 H136 118.9 . . ? C146 C141 C142 119.0(8) . . ? C146 C141 S1 118.3(7) . . ? C142 C141 S1 122.7(6) . . ? C143 C142 C141 120.3(9) . . ? C143 C142 H142 119.9 . . ? C141 C142 H142 119.9 . . ? C144 C143 C142 119.8(11) . . ? C144 C143 H143 120.1 . . ? C142 C143 H143 120.1 . . ? C145 C144 C143 120.2(10) . . ? C145 C144 H144 119.9 . . ? C143 C144 H144 119.9 . . ? C144 C145 C146 121.0(9) . . ? C144 C145 H145 119.5 . . ? C146 C145 H145 119.5 . . ? C141 C146 C145 119.8(9) . . ? C141 C146 H146 120.1 . . ? C145 C146 H146 120.1 . . ? C212 C211 C216 119.5(8) . . ? C212 C211 P2 122.5(7) . . ? C216 C211 P2 118.0(7) . . ? C211 C212 C213 120.1(11) . . ? C211 C212 H212 119.9 . . ? C213 C212 H212 119.9 . . ? C214 C213 C212 118.9(11) . . ? C214 C213 H213 120.6 . . ? C212 C213 H213 120.6 . . ? C215 C214 C213 121.5(10) . . ? C215 C214 H214 119.3 . . ? C213 C214 H214 119.3 . . ? C214 C215 C216 120.4(12) . . ? C214 C215 H215 119.8 . . ? C216 C215 H215 119.8 . . ? C211 C216 C215 119.6(11) . . ? C211 C216 H216 120.2 . . ? C215 C216 H216 120.2 . . ? C222 C221 C226 119.6(8) . . ? C222 C221 P2 121.8(6) . . ? C226 C221 P2 118.6(6) . . ? C223 C222 C221 120.0(8) . . ? C223 C222 H222 120.0 . . ? C221 C222 H222 120.0 . . ? C222 C223 C224 120.3(8) . . ? C222 C223 H223 119.9 . . ? C224 C223 H223 119.9 . . ? C225 C224 C223 119.9(8) . . ? C225 C224 H224 120.1 . . ? C223 C224 H224 120.1 . . ? C224 C225 C226 121.0(9) . . ? C224 C225 H225 119.5 . . ? C226 C225 H225 119.5 . . ? C225 C226 C221 119.3(9) . . ? C225 C226 H226 120.4 . . ? C221 C226 H226 120.4 . . ? C232 C231 C236 118.2(8) . . ? C232 C231 P2 122.7(6) . . ? C236 C231 P2 119.1(6) . . ? C233 C232 C231 121.6(8) . . ? C233 C232 H232 119.2 . . ? C231 C232 H232 119.2 . . ? C232 C233 C234 119.1(9) . . ? C232 C233 H233 120.5 . . ? C234 C233 H233 120.5 . . ? C235 C234 C233 119.7(9) . . ? C235 C234 H234 120.2 . . ? C233 C234 H234 120.2 . . ? C236 C235 C234 120.9(9) . . ? C236 C235 H235 119.6 . . ? C234 C235 H235 119.6 . . ? C235 C236 C231 120.6(8) . . ? C235 C236 H236 119.7 . . ? C231 C236 H236 119.7 . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.521 _refine_diff_density_min -1.287 _refine_diff_density_rms 0.139 #===END data_7' _database_code_depnum_ccdc_archive 'CCDC 609581' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety '2(C29 H20 Au Cr O5 P S)' _chemical_formula_sum 'C58 H40 Au2 Cr2 O10 P2 S2' _chemical_formula_weight 1520.89 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' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cr Cr 0.3209 0.6236 '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 triclinic _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.3464(11) _cell_length_b 12.2837(12) _cell_length_c 20.705(2) _cell_angle_alpha 87.165(2) _cell_angle_beta 76.637(2) _cell_angle_gamma 76.024(2) _cell_volume 2724.4(5) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(SADABS; Sheldrick, 2002)' _exptl_crystal_description 'rectangular prisms' _exptl_crystal_colour gold _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.854 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1472 _exptl_absorpt_coefficient_mu 5.951 _exptl_absorpt_correction_T_min 0.268 _exptl_absorpt_correction_T_max 0.382 _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(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 Apex Diffractometer' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 20464 _diffrn_reflns_av_R_equivalents 0.0286 _diffrn_reflns_av_sigmaI/netI 0.0458 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 1.71 _diffrn_reflns_theta_max 25.74 _reflns_number_total 10239 _reflns_number_gt 8655 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART (Bruker-Nonius)' _computing_cell_refinement 'SAINT (Bruker-Nonius)' _computing_data_reduction 'SAINT (Bruker-Nonius)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'XSeed (Barbour, 1999)' _computing_publication_material 'XSeed (Barbour, 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^)+(0.0383P)^2^+5.0036P] 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 10239 _refine_ls_number_parameters 685 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0469 _refine_ls_R_factor_gt 0.0364 _refine_ls_wR_factor_ref 0.0840 _refine_ls_wR_factor_gt 0.0797 _refine_ls_goodness_of_fit_ref 1.056 _refine_ls_restrained_S_all 1.056 _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 0.68699(2) 0.232327(18) 0.273272(11) 0.01825(7) Uani 1 1 d . . . Au2 Au 0.96820(2) 0.256282(18) 0.235897(10) 0.01664(7) Uani 1 1 d . . . Cr1 Cr 0.65590(9) -0.05344(8) 0.24159(5) 0.0234(2) Uani 1 1 d . . . Cr2 Cr 1.13999(9) -0.03831(8) 0.26292(5) 0.0235(2) Uani 1 1 d . . . S1 S 0.74622(14) 0.10444(13) 0.18626(7) 0.0224(3) Uani 1 1 d . . . S2 S 0.96705(13) 0.12066(12) 0.31849(7) 0.0189(3) Uani 1 1 d . . . P1 P 0.61132(14) 0.35015(13) 0.36155(7) 0.0179(3) Uani 1 1 d . . . P2 P 0.98663(14) 0.36403(12) 0.14380(7) 0.0161(3) Uani 1 1 d . . . O1 O 0.7573(4) -0.0663(4) 0.3661(2) 0.0368(12) Uani 1 1 d . . . O2 O 0.4220(4) 0.1023(4) 0.3206(2) 0.0340(11) Uani 1 1 d . . . O3 O 0.5546(5) -0.2509(4) 0.2952(3) 0.0436(13) Uani 1 1 d . . . O4 O 0.5439(4) -0.0695(4) 0.1220(2) 0.0376(12) Uani 1 1 d . . . O5 O 0.9007(4) -0.2226(4) 0.1889(2) 0.0320(11) Uani 1 1 d . . . O6 O 1.0558(5) -0.0369(4) 0.1337(2) 0.0383(12) Uani 1 1 d . . . O7 O 1.0004(4) -0.2173(4) 0.3173(2) 0.0374(12) Uani 1 1 d . . . O8 O 1.3465(5) -0.2271(4) 0.1981(3) 0.0502(14) Uani 1 1 d . . . O9 O 1.2537(5) -0.0675(4) 0.3840(2) 0.0390(12) Uani 1 1 d . . . O10 O 1.2957(4) 0.1264(4) 0.2027(2) 0.0402(12) Uani 1 1 d . . . C1 C 0.7207(6) -0.0560(5) 0.3179(3) 0.0263(14) Uani 1 1 d . . . C2 C 0.5068(6) 0.0480(5) 0.2889(3) 0.0279(15) Uani 1 1 d . . . C3 C 0.5917(6) -0.1745(6) 0.2751(3) 0.0284(15) Uani 1 1 d . . . C4 C 0.5871(6) -0.0613(5) 0.1658(3) 0.0268(14) Uani 1 1 d . . . C5 C 0.8096(6) -0.1572(6) 0.2049(3) 0.0261(14) Uani 1 1 d . . . C6 C 1.0811(6) -0.0328(5) 0.1828(3) 0.0263(14) Uani 1 1 d . . . C7 C 1.0477(6) -0.1464(6) 0.2979(3) 0.0273(14) Uani 1 1 d . . . C8 C 1.2687(6) -0.1558(6) 0.2242(3) 0.0320(16) Uani 1 1 d . . . C9 C 1.2090(6) -0.0542(5) 0.3393(3) 0.0276(14) Uani 1 1 d . . . C10 C 1.2363(6) 0.0659(6) 0.2261(3) 0.0294(15) Uani 1 1 d . . . C1A C 0.6531(6) 0.1703(5) 0.1293(3) 0.0205(13) Uani 1 1 d . . . C2A C 0.5297(6) 0.2298(5) 0.1503(3) 0.0252(14) Uani 1 1 d . . . H2A H 0.4926 0.2379 0.1964 0.030 Uiso 1 1 calc R . . C3A C 0.4611(6) 0.2769(6) 0.1049(3) 0.0310(15) Uani 1 1 d . . . H3A H 0.3770 0.3172 0.1198 0.037 Uiso 1 1 calc R . . C4A C 0.5141(8) 0.2658(6) 0.0374(3) 0.0402(18) Uani 1 1 d . . . H4A H 0.4669 0.2989 0.0061 0.048 Uiso 1 1 calc R . . C5A C 0.6346(8) 0.2071(6) 0.0165(3) 0.0424(19) Uani 1 1 d . . . H5A H 0.6706 0.1982 -0.0297 0.051 Uiso 1 1 calc R . . C6A C 0.7062(7) 0.1598(5) 0.0623(3) 0.0315(16) Uani 1 1 d . . . H6A H 0.7908 0.1207 0.0471 0.038 Uiso 1 1 calc R . . C1B C 0.5685(5) 0.2698(5) 0.4360(3) 0.0193(13) Uani 1 1 d . . . C2B C 0.4619(6) 0.3079(5) 0.4848(3) 0.0224(13) Uani 1 1 d . . . H2B H 0.4092 0.3798 0.4810 0.027 Uiso 1 1 calc R . . C3B C 0.4320(6) 0.2413(5) 0.5389(3) 0.0257(14) Uani 1 1 d . . . H3B H 0.3587 0.2672 0.5725 0.031 Uiso 1 1 calc R . . C4B C 0.5095(6) 0.1364(5) 0.5441(3) 0.0260(14) Uani 1 1 d . . . H4B H 0.4889 0.0904 0.5813 0.031 Uiso 1 1 calc R . . C5B C 0.6163(6) 0.0986(5) 0.4958(3) 0.0250(14) Uani 1 1 d . . . H5B H 0.6693 0.0270 0.4997 0.030 Uiso 1 1 calc R . . C6B C 0.6458(6) 0.1647(5) 0.4417(3) 0.0234(13) Uani 1 1 d . . . H6B H 0.7191 0.1386 0.4082 0.028 Uiso 1 1 calc R . . C1C C 0.7194(5) 0.4290(5) 0.3752(3) 0.0189(12) Uani 1 1 d . . . C2C C 0.7660(6) 0.4171(5) 0.4323(3) 0.0261(14) Uani 1 1 d . . . H2C H 0.7391 0.3680 0.4664 0.031 Uiso 1 1 calc R . . C3C C 0.8515(6) 0.4764(6) 0.4397(3) 0.0346(17) Uani 1 1 d . . . H3C H 0.8840 0.4674 0.4785 0.041 Uiso 1 1 calc R . . C4C C 0.8894(6) 0.5487(6) 0.3904(4) 0.0334(16) Uani 1 1 d . . . H4C H 0.9475 0.5898 0.3958 0.040 Uiso 1 1 calc R . . C5C C 0.8442(6) 0.5618(5) 0.3339(3) 0.0302(15) Uani 1 1 d . . . H5C H 0.8711 0.6119 0.3005 0.036 Uiso 1 1 calc R . . C6C C 0.7588(6) 0.5021(5) 0.3251(3) 0.0256(14) Uani 1 1 d . . . H6C H 0.7279 0.5108 0.2858 0.031 Uiso 1 1 calc R . . C1D C 0.4675(5) 0.4532(5) 0.3594(3) 0.0195(13) Uani 1 1 d . . . C2D C 0.4447(6) 0.5623(5) 0.3826(3) 0.0243(14) Uani 1 1 d . . . H2D H 0.5088 0.5875 0.3955 0.029 Uiso 1 1 calc R . . C3D C 0.3290(6) 0.6338(5) 0.3869(3) 0.0308(15) Uani 1 1 d . . . H3D H 0.3139 0.7083 0.4029 0.037 Uiso 1 1 calc R . . C4D C 0.2364(6) 0.5992(6) 0.3688(3) 0.0345(17) Uani 1 1 d . . . H4D H 0.1566 0.6490 0.3729 0.041 Uiso 1 1 calc R . . C5D C 0.2575(6) 0.4915(6) 0.3442(3) 0.0314(16) Uani 1 1 d . . . H5D H 0.1927 0.4676 0.3313 0.038 Uiso 1 1 calc R . . C6D C 0.3744(6) 0.4186(5) 0.3386(3) 0.0244(14) Uani 1 1 d . . . H6D H 0.3903 0.3454 0.3207 0.029 Uiso 1 1 calc R . . C1E C 1.0184(5) 0.1663(5) 0.3857(3) 0.0178(12) Uani 1 1 d . . . C2E C 1.1079(6) 0.2279(5) 0.3774(3) 0.0261(14) Uani 1 1 d . . . H2E H 1.1405 0.2534 0.3344 0.031 Uiso 1 1 calc R . . C3E C 1.1501(7) 0.2527(6) 0.4309(3) 0.0338(16) Uani 1 1 d . . . H3E H 1.2117 0.2951 0.4245 0.041 Uiso 1 1 calc R . . C4E C 1.1032(6) 0.2161(6) 0.4942(3) 0.0318(16) Uani 1 1 d . . . H4E H 1.1338 0.2313 0.5310 0.038 Uiso 1 1 calc R . . C5E C 1.0121(6) 0.1578(6) 0.5025(3) 0.0311(15) Uani 1 1 d . . . H5E H 0.9775 0.1343 0.5456 0.037 Uiso 1 1 calc R . . C6E C 0.9699(6) 0.1326(5) 0.4492(3) 0.0237(13) Uani 1 1 d . . . H6E H 0.9069 0.0918 0.4560 0.028 Uiso 1 1 calc R . . C1F C 1.0332(5) 0.2731(5) 0.0714(3) 0.0177(12) Uani 1 1 d . . . C2F C 1.1440(6) 0.1902(5) 0.0643(3) 0.0274(15) Uani 1 1 d . . . H2F H 1.1941 0.1843 0.0958 0.033 Uiso 1 1 calc R . . C3F C 1.1805(6) 0.1166(5) 0.0107(3) 0.0305(15) Uani 1 1 d . . . H3F H 1.2561 0.0605 0.0057 0.037 Uiso 1 1 calc R . . C4F C 1.1081(6) 0.1239(5) -0.0356(3) 0.0266(14) Uani 1 1 d . . . H4F H 1.1330 0.0724 -0.0717 0.032 Uiso 1 1 calc R . . C5F C 0.9996(6) 0.2067(5) -0.0287(3) 0.0240(14) Uani 1 1 d . . . H5F H 0.9503 0.2126 -0.0606 0.029 Uiso 1 1 calc R . . C6F C 0.9611(6) 0.2820(5) 0.0248(3) 0.0214(13) Uani 1 1 d . . . H6F H 0.8862 0.3389 0.0291 0.026 Uiso 1 1 calc R . . C1G C 0.8457(5) 0.4670(5) 0.1350(3) 0.0169(12) Uani 1 1 d . . . C2G C 0.7339(6) 0.4332(5) 0.1475(3) 0.0246(14) Uani 1 1 d . . . H2G H 0.7335 0.3576 0.1594 0.030 Uiso 1 1 calc R . . C3G C 0.6236(6) 0.5080(5) 0.1427(3) 0.0271(14) Uani 1 1 d . . . H3G H 0.5476 0.4845 0.1523 0.033 Uiso 1 1 calc R . . C4G C 0.6250(5) 0.6184(5) 0.1238(3) 0.0214(13) Uani 1 1 d . . . H4G H 0.5498 0.6708 0.1205 0.026 Uiso 1 1 calc R . . C5G C 0.7359(6) 0.6510(5) 0.1098(3) 0.0272(14) Uani 1 1 d . . . H5G H 0.7370 0.7257 0.0961 0.033 Uiso 1 1 calc R . . C6G C 0.8467(6) 0.5759(5) 0.1156(3) 0.0216(13) Uani 1 1 d . . . H6G H 0.9226 0.5996 0.1061 0.026 Uiso 1 1 calc R . . C1H C 1.1058(5) 0.4438(5) 0.1325(3) 0.0193(12) Uani 1 1 d . . . C2H C 1.1706(5) 0.4643(5) 0.0689(3) 0.0197(13) Uani 1 1 d . . . H2H H 1.1563 0.4332 0.0311 0.024 Uiso 1 1 calc R . . C3H C 1.2565(5) 0.5308(5) 0.0612(3) 0.0237(14) Uani 1 1 d . . . H3H H 1.3016 0.5443 0.0180 0.028 Uiso 1 1 calc R . . C4H C 1.2763(6) 0.5771(5) 0.1159(3) 0.0278(15) Uani 1 1 d . . . H4H H 1.3343 0.6230 0.1105 0.033 Uiso 1 1 calc R . . C5H C 1.2114(6) 0.5565(6) 0.1786(3) 0.0311(15) Uani 1 1 d . . . H5H H 1.2248 0.5888 0.2163 0.037 Uiso 1 1 calc R . . C6H C 1.1273(6) 0.4895(5) 0.1872(3) 0.0234(13) Uani 1 1 d . . . H6H H 1.0843 0.4748 0.2307 0.028 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 0.01933(13) 0.01550(12) 0.02048(12) -0.00130(9) -0.00392(9) -0.00543(9) Au2 0.01669(12) 0.01590(12) 0.01665(12) 0.00256(9) -0.00518(9) -0.00172(9) Cr1 0.0237(5) 0.0222(5) 0.0242(5) -0.0001(4) -0.0048(4) -0.0055(4) Cr2 0.0212(5) 0.0235(5) 0.0264(5) -0.0017(4) -0.0068(4) -0.0048(4) S1 0.0217(8) 0.0200(8) 0.0258(8) -0.0050(6) -0.0062(6) -0.0039(6) S2 0.0170(7) 0.0201(8) 0.0200(7) 0.0049(6) -0.0059(6) -0.0044(6) P1 0.0180(8) 0.0168(8) 0.0194(7) -0.0012(6) -0.0041(6) -0.0051(6) P2 0.0171(8) 0.0159(8) 0.0162(7) 0.0001(6) -0.0056(6) -0.0037(6) O1 0.039(3) 0.044(3) 0.031(3) 0.002(2) -0.013(2) -0.013(2) O2 0.022(3) 0.035(3) 0.039(3) -0.010(2) 0.004(2) -0.004(2) O3 0.056(3) 0.033(3) 0.047(3) 0.010(2) -0.015(3) -0.020(3) O4 0.037(3) 0.038(3) 0.041(3) -0.005(2) -0.016(2) -0.006(2) O5 0.029(3) 0.026(3) 0.039(3) -0.004(2) -0.011(2) 0.000(2) O6 0.043(3) 0.048(3) 0.030(3) -0.003(2) -0.010(2) -0.020(3) O7 0.034(3) 0.037(3) 0.044(3) 0.012(2) -0.014(2) -0.013(2) O8 0.033(3) 0.041(3) 0.074(4) -0.020(3) -0.008(3) -0.005(3) O9 0.043(3) 0.030(3) 0.047(3) 0.004(2) -0.027(3) 0.000(2) O10 0.028(3) 0.050(3) 0.047(3) 0.017(3) -0.011(2) -0.018(3) C1 0.021(3) 0.026(4) 0.030(4) -0.001(3) -0.003(3) -0.004(3) C2 0.027(4) 0.026(4) 0.037(4) 0.004(3) -0.015(3) -0.011(3) C3 0.035(4) 0.029(4) 0.021(3) 0.004(3) -0.003(3) -0.012(3) C4 0.026(4) 0.021(3) 0.032(4) -0.001(3) -0.004(3) -0.006(3) C5 0.035(4) 0.027(4) 0.018(3) -0.003(3) -0.009(3) -0.009(3) C6 0.025(4) 0.026(4) 0.030(4) -0.003(3) -0.003(3) -0.011(3) C7 0.024(4) 0.028(4) 0.033(4) 0.007(3) -0.010(3) -0.010(3) C8 0.022(4) 0.029(4) 0.043(4) -0.017(3) -0.002(3) -0.004(3) C9 0.028(4) 0.023(4) 0.034(4) 0.000(3) -0.010(3) -0.005(3) C10 0.022(4) 0.037(4) 0.029(4) 0.001(3) -0.007(3) -0.005(3) C1A 0.026(3) 0.017(3) 0.022(3) -0.002(2) -0.005(3) -0.011(3) C2A 0.025(3) 0.028(4) 0.024(3) 0.001(3) -0.005(3) -0.009(3) C3A 0.031(4) 0.032(4) 0.030(4) 0.002(3) -0.009(3) -0.007(3) C4A 0.058(5) 0.037(4) 0.030(4) 0.013(3) -0.018(4) -0.013(4) C5A 0.070(6) 0.035(4) 0.020(3) 0.008(3) -0.009(4) -0.012(4) C6A 0.044(4) 0.019(3) 0.031(4) 0.002(3) -0.005(3) -0.011(3) C1B 0.019(3) 0.023(3) 0.018(3) 0.001(2) -0.006(2) -0.009(3) C2B 0.022(3) 0.025(3) 0.022(3) -0.002(3) -0.007(3) -0.007(3) C3B 0.021(3) 0.032(4) 0.022(3) -0.004(3) 0.000(3) -0.005(3) C4B 0.026(4) 0.030(4) 0.023(3) 0.005(3) -0.006(3) -0.009(3) C5B 0.024(3) 0.024(3) 0.026(3) 0.006(3) -0.006(3) -0.005(3) C6B 0.021(3) 0.023(3) 0.025(3) 0.002(3) -0.004(3) -0.003(3) C1C 0.012(3) 0.017(3) 0.025(3) -0.006(2) 0.001(2) -0.003(2) C2C 0.024(3) 0.023(3) 0.033(4) -0.005(3) -0.009(3) -0.005(3) C3C 0.028(4) 0.040(4) 0.039(4) -0.010(3) -0.014(3) -0.007(3) C4C 0.017(3) 0.028(4) 0.055(5) -0.013(3) -0.003(3) -0.008(3) C5C 0.025(4) 0.024(4) 0.038(4) -0.006(3) 0.009(3) -0.012(3) C6C 0.024(3) 0.022(3) 0.026(3) -0.008(3) 0.005(3) -0.005(3) C1D 0.018(3) 0.019(3) 0.022(3) 0.008(2) -0.006(2) -0.004(2) C2D 0.023(3) 0.021(3) 0.027(3) 0.005(3) -0.004(3) -0.006(3) C3D 0.030(4) 0.021(3) 0.039(4) 0.005(3) -0.007(3) -0.003(3) C4D 0.026(4) 0.035(4) 0.039(4) 0.014(3) -0.010(3) 0.002(3) C5D 0.024(4) 0.034(4) 0.037(4) 0.009(3) -0.013(3) -0.006(3) C6D 0.027(4) 0.017(3) 0.030(3) -0.001(3) -0.007(3) -0.006(3) C1E 0.011(3) 0.014(3) 0.026(3) 0.001(2) -0.006(2) 0.003(2) C2E 0.035(4) 0.027(4) 0.020(3) 0.005(3) -0.006(3) -0.015(3) C3E 0.039(4) 0.033(4) 0.037(4) -0.005(3) -0.014(3) -0.016(3) C4E 0.039(4) 0.032(4) 0.024(3) -0.007(3) -0.010(3) -0.004(3) C5E 0.041(4) 0.032(4) 0.020(3) 0.007(3) -0.006(3) -0.011(3) C6E 0.022(3) 0.024(3) 0.022(3) 0.006(3) -0.002(3) -0.003(3) C1F 0.022(3) 0.015(3) 0.016(3) 0.002(2) -0.002(2) -0.007(2) C2F 0.030(4) 0.029(4) 0.021(3) 0.001(3) -0.009(3) 0.000(3) C3F 0.030(4) 0.025(4) 0.027(3) 0.004(3) -0.002(3) 0.005(3) C4F 0.036(4) 0.017(3) 0.025(3) -0.003(3) -0.003(3) -0.005(3) C5F 0.028(4) 0.027(4) 0.020(3) -0.002(3) -0.008(3) -0.010(3) C6F 0.021(3) 0.023(3) 0.021(3) 0.000(2) -0.005(3) -0.006(3) C1G 0.019(3) 0.020(3) 0.012(3) -0.002(2) -0.006(2) -0.001(2) C2G 0.030(4) 0.023(3) 0.025(3) 0.004(3) -0.012(3) -0.010(3) C3G 0.013(3) 0.032(4) 0.035(4) 0.007(3) -0.005(3) -0.007(3) C4G 0.016(3) 0.020(3) 0.024(3) -0.004(3) -0.003(3) 0.003(3) C5G 0.034(4) 0.015(3) 0.029(3) 0.003(3) -0.007(3) -0.001(3) C6G 0.017(3) 0.019(3) 0.027(3) 0.000(3) -0.003(3) -0.001(3) C1H 0.015(3) 0.021(3) 0.021(3) 0.002(2) -0.007(2) 0.001(2) C2H 0.016(3) 0.026(3) 0.019(3) 0.003(2) -0.010(2) -0.001(3) C3H 0.017(3) 0.029(4) 0.024(3) 0.007(3) -0.004(3) -0.004(3) C4H 0.022(3) 0.028(4) 0.039(4) 0.012(3) -0.015(3) -0.010(3) C5H 0.030(4) 0.035(4) 0.035(4) -0.003(3) -0.014(3) -0.013(3) C6H 0.028(4) 0.024(3) 0.018(3) -0.002(2) -0.006(3) -0.005(3) _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 2.2602(15) . ? Au1 S1 2.3184(15) . ? Au1 Au2 3.1869(4) . ? Au2 P2 2.2653(15) . ? Au2 S2 2.3276(14) . ? Cr1 C3 1.847(7) . ? Cr1 C1 1.887(6) . ? Cr1 C5 1.911(7) . ? Cr1 C4 1.923(7) . ? Cr1 C2 1.926(7) . ? Cr1 S1 2.5142(19) . ? Cr2 C8 1.847(7) . ? Cr2 C10 1.900(7) . ? Cr2 C7 1.899(7) . ? Cr2 C9 1.902(6) . ? Cr2 C6 1.918(7) . ? Cr2 S2 2.5130(18) . ? S1 C1A 1.797(6) . ? S2 C1E 1.790(6) . ? P1 C1C 1.813(6) . ? P1 C1D 1.816(6) . ? P1 C1B 1.822(6) . ? P2 C1F 1.813(6) . ? P2 C1H 1.821(6) . ? P2 C1G 1.824(6) . ? O1 C1 1.156(7) . ? O2 C2 1.115(8) . ? O3 C3 1.142(7) . ? O4 C4 1.145(7) . ? O5 C5 1.136(7) . ? O6 C6 1.126(7) . ? O7 C7 1.141(7) . ? O8 C8 1.137(8) . ? O9 C9 1.142(7) . ? O10 C10 1.138(8) . ? C1A C6A 1.379(8) . ? C1A C2A 1.392(8) . ? C2A C3A 1.375(9) . ? C2A H2A 0.9500 . ? C3A C4A 1.387(9) . ? C3A H3A 0.9500 . ? C4A C5A 1.363(11) . ? C4A H4A 0.9500 . ? C5A C6A 1.403(9) . ? C5A H5A 0.9500 . ? C6A H6A 0.9500 . ? C1B C2B 1.382(8) . ? C1B C6B 1.391(8) . ? C2B C3B 1.381(9) . ? C2B H2B 0.9500 . ? C3B C4B 1.389(9) . ? C3B H3B 0.9500 . ? C4B C5B 1.378(8) . ? C4B H4B 0.9500 . ? C5B C6B 1.376(8) . ? C5B H5B 0.9500 . ? C6B H6B 0.9500 . ? C1C C2C 1.390(8) . ? C1C C6C 1.403(8) . ? C2C C3C 1.384(9) . ? C2C H2C 0.9500 . ? C3C C4C 1.380(10) . ? C3C H3C 0.9500 . ? C4C C5C 1.370(10) . ? C4C H4C 0.9500 . ? C5C C6C 1.395(9) . ? C5C H5C 0.9500 . ? C6C H6C 0.9500 . ? C1D C6D 1.388(8) . ? C1D C2D 1.390(8) . ? C2D C3D 1.379(9) . ? C2D H2D 0.9500 . ? C3D C4D 1.357(9) . ? C3D H3D 0.9500 . ? C4D C5D 1.386(10) . ? C4D H4D 0.9500 . ? C5D C6D 1.392(9) . ? C5D H5D 0.9500 . ? C6D H6D 0.9500 . ? C1E C2E 1.382(8) . ? C1E C6E 1.387(8) . ? C2E C3E 1.378(8) . ? C2E H2E 0.9500 . ? C3E C4E 1.393(9) . ? C3E H3E 0.9500 . ? C4E C5E 1.370(9) . ? C4E H4E 0.9500 . ? C5E C6E 1.374(8) . ? C5E H5E 0.9500 . ? C6E H6E 0.9500 . ? C1F C6F 1.388(8) . ? C1F C2F 1.396(8) . ? C2F C3F 1.387(9) . ? C2F H2F 0.9500 . ? C3F C4F 1.386(9) . ? C3F H3F 0.9500 . ? C4F C5F 1.378(9) . ? C4F H4F 0.9500 . ? C5F C6F 1.398(8) . ? C5F H5F 0.9500 . ? C6F H6F 0.9500 . ? C1G C6G 1.379(8) . ? C1G C2G 1.393(8) . ? C2G C3G 1.383(8) . ? C2G H2G 0.9500 . ? C3G C4G 1.396(8) . ? C3G H3G 0.9500 . ? C4G C5G 1.375(9) . ? C4G H4G 0.9500 . ? C5G C6G 1.394(8) . ? C5G H5G 0.9500 . ? C6G H6G 0.9500 . ? C1H C6H 1.385(8) . ? C1H C2H 1.396(8) . ? C2H C3H 1.394(8) . ? C2H H2H 0.9500 . ? C3H C4H 1.378(9) . ? C3H H3H 0.9500 . ? C4H C5H 1.382(9) . ? C4H H4H 0.9500 . ? C5H C6H 1.380(8) . ? C5H H5H 0.9500 . ? C6H H6H 0.9500 . ? 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 S1 174.08(5) . . ? P1 Au1 Au2 99.60(4) . . ? S1 Au1 Au2 86.13(4) . . ? P2 Au2 S2 170.42(5) . . ? P2 Au2 Au1 106.45(4) . . ? S2 Au2 Au1 76.05(4) . . ? C3 Cr1 C1 88.6(3) . . ? C3 Cr1 C5 88.1(3) . . ? C1 Cr1 C5 85.4(3) . . ? C3 Cr1 C4 87.2(3) . . ? C1 Cr1 C4 175.8(3) . . ? C5 Cr1 C4 93.7(3) . . ? C3 Cr1 C2 90.3(3) . . ? C1 Cr1 C2 87.7(3) . . ? C5 Cr1 C2 173.0(3) . . ? C4 Cr1 C2 93.0(3) . . ? C3 Cr1 S1 175.1(2) . . ? C1 Cr1 S1 95.4(2) . . ? C5 Cr1 S1 89.5(2) . . ? C4 Cr1 S1 88.7(2) . . ? C2 Cr1 S1 92.6(2) . . ? C8 Cr2 C10 90.4(3) . . ? C8 Cr2 C7 87.7(3) . . ? C10 Cr2 C7 178.0(3) . . ? C8 Cr2 C9 88.4(3) . . ? C10 Cr2 C9 90.7(3) . . ? C7 Cr2 C9 89.7(3) . . ? C8 Cr2 C6 86.9(3) . . ? C10 Cr2 C6 89.6(3) . . ? C7 Cr2 C6 89.9(3) . . ? C9 Cr2 C6 175.3(3) . . ? C8 Cr2 S2 178.4(2) . . ? C10 Cr2 S2 89.7(2) . . ? C7 Cr2 S2 92.2(2) . . ? C9 Cr2 S2 90.1(2) . . ? C6 Cr2 S2 94.7(2) . . ? C1A S1 Au1 103.19(19) . . ? C1A S1 Cr1 107.83(19) . . ? Au1 S1 Cr1 100.44(6) . . ? C1E S2 Au2 109.08(19) . . ? C1E S2 Cr2 106.16(18) . . ? Au2 S2 Cr2 101.69(6) . . ? C1C P1 C1D 105.8(3) . . ? C1C P1 C1B 108.6(3) . . ? C1D P1 C1B 103.4(3) . . ? C1C P1 Au1 113.98(19) . . ? C1D P1 Au1 115.21(19) . . ? C1B P1 Au1 109.2(2) . . ? C1F P2 C1H 104.5(3) . . ? C1F P2 C1G 106.6(2) . . ? C1H P2 C1G 104.6(3) . . ? C1F P2 Au2 108.51(18) . . ? C1H P2 Au2 115.76(18) . . ? C1G P2 Au2 115.93(19) . . ? O1 C1 Cr1 174.0(6) . . ? O2 C2 Cr1 174.6(6) . . ? O3 C3 Cr1 178.4(7) . . ? O4 C4 Cr1 177.1(6) . . ? O5 C5 Cr1 173.6(5) . . ? O6 C6 Cr2 173.8(6) . . ? O7 C7 Cr2 174.8(6) . . ? O8 C8 Cr2 177.3(7) . . ? O9 C9 Cr2 177.3(6) . . ? O10 C10 Cr2 178.2(6) . . ? C6A C1A C2A 119.1(6) . . ? C6A C1A S1 118.3(5) . . ? C2A C1A S1 122.6(5) . . ? C3A C2A C1A 120.7(6) . . ? C3A C2A H2A 119.7 . . ? C1A C2A H2A 119.7 . . ? C2A C3A C4A 120.3(7) . . ? C2A C3A H3A 119.8 . . ? C4A C3A H3A 119.8 . . ? C5A C4A C3A 119.4(7) . . ? C5A C4A H4A 120.3 . . ? C3A C4A H4A 120.3 . . ? C4A C5A C6A 120.9(7) . . ? C4A C5A H5A 119.5 . . ? C6A C5A H5A 119.5 . . ? C1A C6A C5A 119.6(7) . . ? C1A C6A H6A 120.2 . . ? C5A C6A H6A 120.2 . . ? C2B C1B C6B 119.9(5) . . ? C2B C1B P1 122.6(5) . . ? C6B C1B P1 117.4(4) . . ? C3B C2B C1B 119.9(6) . . ? C3B C2B H2B 120.0 . . ? C1B C2B H2B 120.0 . . ? C2B C3B C4B 119.8(6) . . ? C2B C3B H3B 120.1 . . ? C4B C3B H3B 120.1 . . ? C5B C4B C3B 120.3(6) . . ? C5B C4B H4B 119.8 . . ? C3B C4B H4B 119.8 . . ? C6B C5B C4B 119.9(6) . . ? C6B C5B H5B 120.1 . . ? C4B C5B H5B 120.1 . . ? C5B C6B C1B 120.2(6) . . ? C5B C6B H6B 119.9 . . ? C1B C6B H6B 119.9 . . ? C2C C1C C6C 119.7(6) . . ? C2C C1C P1 122.3(5) . . ? C6C C1C P1 117.9(5) . . ? C3C C2C C1C 120.3(6) . . ? C3C C2C H2C 119.9 . . ? C1C C2C H2C 119.9 . . ? C4C C3C C2C 119.8(6) . . ? C4C C3C H3C 120.1 . . ? C2C C3C H3C 120.1 . . ? C5C C4C C3C 120.7(6) . . ? C5C C4C H4C 119.6 . . ? C3C C4C H4C 119.6 . . ? C4C C5C C6C 120.5(6) . . ? C4C C5C H5C 119.8 . . ? C6C C5C H5C 119.8 . . ? C5C C6C C1C 119.0(6) . . ? C5C C6C H6C 120.5 . . ? C1C C6C H6C 120.5 . . ? C6D C1D C2D 119.5(6) . . ? C6D C1D P1 118.3(5) . . ? C2D C1D P1 122.0(5) . . ? C3D C2D C1D 119.9(6) . . ? C3D C2D H2D 120.1 . . ? C1D C2D H2D 120.1 . . ? C4D C3D C2D 120.8(6) . . ? C4D C3D H3D 119.6 . . ? C2D C3D H3D 119.6 . . ? C3D C4D C5D 120.4(6) . . ? C3D C4D H4D 119.8 . . ? C5D C4D H4D 119.8 . . ? C4D C5D C6D 119.6(6) . . ? C4D C5D H5D 120.2 . . ? C6D C5D H5D 120.2 . . ? C1D C6D C5D 119.8(6) . . ? C1D C6D H6D 120.1 . . ? C5D C6D H6D 120.1 . . ? C2E C1E C6E 118.6(5) . . ? C2E C1E S2 123.6(5) . . ? C6E C1E S2 117.7(5) . . ? C3E C2E C1E 120.5(6) . . ? C3E C2E H2E 119.7 . . ? C1E C2E H2E 119.7 . . ? C2E C3E C4E 120.5(6) . . ? C2E C3E H3E 119.8 . . ? C4E C3E H3E 119.8 . . ? C5E C4E C3E 118.7(6) . . ? C5E C4E H4E 120.6 . . ? C3E C4E H4E 120.6 . . ? C4E C5E C6E 121.0(6) . . ? C4E C5E H5E 119.5 . . ? C6E C5E H5E 119.5 . . ? C5E C6E C1E 120.7(6) . . ? C5E C6E H6E 119.7 . . ? C1E C6E H6E 119.7 . . ? C6F C1F C2F 119.9(5) . . ? C6F C1F P2 122.1(4) . . ? C2F C1F P2 117.9(4) . . ? C3F C2F C1F 119.6(6) . . ? C3F C2F H2F 120.2 . . ? C1F C2F H2F 120.2 . . ? C4F C3F C2F 120.9(6) . . ? C4F C3F H3F 119.6 . . ? C2F C3F H3F 119.6 . . ? C5F C4F C3F 119.3(6) . . ? C5F C4F H4F 120.3 . . ? C3F C4F H4F 120.3 . . ? C4F C5F C6F 120.8(6) . . ? C4F C5F H5F 119.6 . . ? C6F C5F H5F 119.6 . . ? C1F C6F C5F 119.4(6) . . ? C1F C6F H6F 120.3 . . ? C5F C6F H6F 120.3 . . ? C6G C1G C2G 119.3(5) . . ? C6G C1G P2 122.3(4) . . ? C2G C1G P2 118.3(4) . . ? C3G C2G C1G 121.0(6) . . ? C3G C2G H2G 119.5 . . ? C1G C2G H2G 119.5 . . ? C2G C3G C4G 119.4(6) . . ? C2G C3G H3G 120.3 . . ? C4G C3G H3G 120.3 . . ? C5G C4G C3G 119.5(6) . . ? C5G C4G H4G 120.2 . . ? C3G C4G H4G 120.2 . . ? C4G C5G C6G 121.0(6) . . ? C4G C5G H5G 119.5 . . ? C6G C5G H5G 119.5 . . ? C1G C6G C5G 119.7(6) . . ? C1G C6G H6G 120.1 . . ? C5G C6G H6G 120.1 . . ? C6H C1H C2H 119.9(6) . . ? C6H C1H P2 119.6(5) . . ? C2H C1H P2 120.4(4) . . ? C3H C2H C1H 119.5(5) . . ? C3H C2H H2H 120.3 . . ? C1H C2H H2H 120.3 . . ? C4H C3H C2H 120.3(6) . . ? C4H C3H H3H 119.8 . . ? C2H C3H H3H 119.8 . . ? C3H C4H C5H 119.7(6) . . ? C3H C4H H4H 120.1 . . ? C5H C4H H4H 120.1 . . ? C6H C5H C4H 120.7(6) . . ? C6H C5H H5H 119.6 . . ? C4H C5H H5H 119.6 . . ? C5H C6H C1H 119.9(6) . . ? C5H C6H H6H 120.1 . . ? C1H C6H H6H 120.1 . . ? 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 P1 Au1 Au2 P2 -105.07(6) . . . . ? S1 Au1 Au2 P2 76.43(6) . . . . ? P1 Au1 Au2 S2 84.51(5) . . . . ? S1 Au1 Au2 S2 -93.99(5) . . . . ? P1 Au1 S1 C1A 78.0(6) . . . . ? Au2 Au1 S1 C1A -116.6(2) . . . . ? P1 Au1 S1 Cr1 -33.3(5) . . . . ? Au2 Au1 S1 Cr1 132.13(5) . . . . ? C3 Cr1 S1 C1A 58(3) . . . . ? C1 Cr1 S1 C1A -156.1(3) . . . . ? C5 Cr1 S1 C1A 118.6(3) . . . . ? C4 Cr1 S1 C1A 24.9(3) . . . . ? C2 Cr1 S1 C1A -68.1(3) . . . . ? C3 Cr1 S1 Au1 166(3) . . . . ? C1 Cr1 S1 Au1 -48.4(2) . . . . ? C5 Cr1 S1 Au1 -133.72(18) . . . . ? C4 Cr1 S1 Au1 132.5(2) . . . . ? C2 Cr1 S1 Au1 39.57(19) . . . . ? P2 Au2 S2 C1E 131.3(3) . . . . ? Au1 Au2 S2 C1E -122.3(2) . . . . ? P2 Au2 S2 Cr2 19.5(3) . . . . ? Au1 Au2 S2 Cr2 125.88(5) . . . . ? C8 Cr2 S2 C1E 22(8) . . . . ? C10 Cr2 S2 C1E -73.4(3) . . . . ? C7 Cr2 S2 C1E 106.9(3) . . . . ? C9 Cr2 S2 C1E 17.2(3) . . . . ? C6 Cr2 S2 C1E -163.0(3) . . . . ? C8 Cr2 S2 Au2 136(8) . . . . ? C10 Cr2 S2 Au2 40.64(19) . . . . ? C7 Cr2 S2 Au2 -139.03(19) . . . . ? C9 Cr2 S2 Au2 131.3(2) . . . . ? C6 Cr2 S2 Au2 -48.95(19) . . . . ? S1 Au1 P1 C1C 172.6(5) . . . . ? Au2 Au1 P1 C1C 7.3(2) . . . . ? S1 Au1 P1 C1D -64.7(6) . . . . ? Au2 Au1 P1 C1D 130.0(2) . . . . ? S1 Au1 P1 C1B 51.0(6) . . . . ? Au2 Au1 P1 C1B -114.3(2) . . . . ? S2 Au2 P2 C1F 13.9(4) . . . . ? Au1 Au2 P2 C1F -90.0(2) . . . . ? S2 Au2 P2 C1H -103.1(4) . . . . ? Au1 Au2 P2 C1H 153.0(2) . . . . ? S2 Au2 P2 C1G 133.8(3) . . . . ? Au1 Au2 P2 C1G 29.9(2) . . . . ? C3 Cr1 C1 O1 8(5) . . . . ? C5 Cr1 C1 O1 -80(5) . . . . ? C4 Cr1 C1 O1 -2(8) . . . . ? C2 Cr1 C1 O1 98(5) . . . . ? S1 Cr1 C1 O1 -169(5) . . . . ? C3 Cr1 C2 O2 55(6) . . . . ? C1 Cr1 C2 O2 -34(6) . . . . ? C5 Cr1 C2 O2 -22(8) . . . . ? C4 Cr1 C2 O2 142(6) . . . . ? S1 Cr1 C2 O2 -129(6) . . . . ? C1 Cr1 C3 O3 -88(22) . . . . ? C5 Cr1 C3 O3 -3(22) . . . . ? C4 Cr1 C3 O3 91(22) . . . . ? C2 Cr1 C3 O3 -176(100) . . . . ? S1 Cr1 C3 O3 57(24) . . . . ? C3 Cr1 C4 O4 3(12) . . . . ? C1 Cr1 C4 O4 14(14) . . . . ? C5 Cr1 C4 O4 91(12) . . . . ? C2 Cr1 C4 O4 -87(12) . . . . ? S1 Cr1 C4 O4 -179(100) . . . . ? C3 Cr1 C5 O5 -56(5) . . . . ? C1 Cr1 C5 O5 33(5) . . . . ? C4 Cr1 C5 O5 -143(5) . . . . ? C2 Cr1 C5 O5 21(7) . . . . ? S1 Cr1 C5 O5 128(5) . . . . ? C8 Cr2 C6 O6 -4(5) . . . . ? C10 Cr2 C6 O6 87(5) . . . . ? C7 Cr2 C6 O6 -91(5) . . . . ? C9 Cr2 C6 O6 -7(8) . . . . ? S2 Cr2 C6 O6 176(5) . . . . ? C8 Cr2 C7 O7 10(6) . . . . ? C10 Cr2 C7 O7 21(13) . . . . ? C9 Cr2 C7 O7 -78(6) . . . . ? C6 Cr2 C7 O7 97(6) . . . . ? S2 Cr2 C7 O7 -168(6) . . . . ? C10 Cr2 C8 O8 -78(14) . . . . ? C7 Cr2 C8 O8 101(14) . . . . ? C9 Cr2 C8 O8 -169(14) . . . . ? C6 Cr2 C8 O8 11(14) . . . . ? S2 Cr2 C8 O8 -174(8) . . . . ? C8 Cr2 C9 O9 -7(13) . . . . ? C10 Cr2 C9 O9 -98(13) . . . . ? C7 Cr2 C9 O9 81(13) . . . . ? C6 Cr2 C9 O9 -4(15) . . . . ? S2 Cr2 C9 O9 173(13) . . . . ? C8 Cr2 C10 O10 27(19) . . . . ? C7 Cr2 C10 O10 16(25) . . . . ? C9 Cr2 C10 O10 116(19) . . . . ? C6 Cr2 C10 O10 -60(19) . . . . ? S2 Cr2 C10 O10 -154(19) . . . . ? Au1 S1 C1A C6A 142.2(4) . . . . ? Cr1 S1 C1A C6A -112.0(5) . . . . ? Au1 S1 C1A C2A -38.7(5) . . . . ? Cr1 S1 C1A C2A 67.1(5) . . . . ? C6A C1A C2A C3A 0.5(9) . . . . ? S1 C1A C2A C3A -178.6(5) . . . . ? C1A C2A C3A C4A -0.1(10) . . . . ? C2A C3A C4A C5A 0.5(11) . . . . ? C3A C4A C5A C6A -1.2(11) . . . . ? C2A C1A C6A C5A -1.2(9) . . . . ? S1 C1A C6A C5A 177.9(5) . . . . ? C4A C5A C6A C1A 1.6(10) . . . . ? C1C P1 C1B C2B 95.6(5) . . . . ? C1D P1 C1B C2B -16.5(5) . . . . ? Au1 P1 C1B C2B -139.5(4) . . . . ? C1C P1 C1B C6B -86.5(5) . . . . ? C1D P1 C1B C6B 161.4(5) . . . . ? Au1 P1 C1B C6B 38.3(5) . . . . ? C6B C1B C2B C3B -0.2(9) . . . . ? P1 C1B C2B C3B 177.6(4) . . . . ? C1B C2B C3B C4B 0.1(9) . . . . ? C2B C3B C4B C5B 0.3(9) . . . . ? C3B C4B C5B C6B -0.5(9) . . . . ? C4B C5B C6B C1B 0.4(9) . . . . ? C2B C1B C6B C5B 0.0(9) . . . . ? P1 C1B C6B C5B -177.9(5) . . . . ? C1D P1 C1C C2C 115.7(5) . . . . ? C1B P1 C1C C2C 5.3(6) . . . . ? Au1 P1 C1C C2C -116.6(5) . . . . ? C1D P1 C1C C6C -65.9(5) . . . . ? C1B P1 C1C C6C -176.4(4) . . . . ? Au1 P1 C1C C6C 61.7(5) . . . . ? C6C C1C C2C C3C -0.4(9) . . . . ? P1 C1C C2C C3C 177.9(5) . . . . ? C1C C2C C3C C4C 0.8(10) . . . . ? C2C C3C C4C C5C -0.6(10) . . . . ? C3C C4C C5C C6C -0.1(10) . . . . ? C4C C5C C6C C1C 0.5(9) . . . . ? C2C C1C C6C C5C -0.2(9) . . . . ? P1 C1C C6C C5C -178.6(5) . . . . ? C1C P1 C1D C6D 169.5(5) . . . . ? C1B P1 C1D C6D -76.4(5) . . . . ? Au1 P1 C1D C6D 42.6(5) . . . . ? C1C P1 C1D C2D -15.7(6) . . . . ? C1B P1 C1D C2D 98.5(5) . . . . ? Au1 P1 C1D C2D -142.6(4) . . . . ? C6D C1D C2D C3D 2.1(9) . . . . ? P1 C1D C2D C3D -172.6(5) . . . . ? C1D C2D C3D C4D 0.0(10) . . . . ? C2D C3D C4D C5D -1.2(10) . . . . ? C3D C4D C5D C6D 0.3(10) . . . . ? C2D C1D C6D C5D -3.0(9) . . . . ? P1 C1D C6D C5D 171.9(5) . . . . ? C4D C5D C6D C1D 1.8(10) . . . . ? Au2 S2 C1E C2E -34.6(5) . . . . ? Cr2 S2 C1E C2E 74.3(5) . . . . ? Au2 S2 C1E C6E 148.8(4) . . . . ? Cr2 S2 C1E C6E -102.3(4) . . . . ? C6E C1E C2E C3E 1.7(9) . . . . ? S2 C1E C2E C3E -174.9(5) . . . . ? C1E C2E C3E C4E 0.0(10) . . . . ? C2E C3E C4E C5E -1.7(10) . . . . ? C3E C4E C5E C6E 1.9(10) . . . . ? C4E C5E C6E C1E -0.3(10) . . . . ? C2E C1E C6E C5E -1.5(9) . . . . ? S2 C1E C6E C5E 175.2(5) . . . . ? C1H P2 C1F C6F -115.8(5) . . . . ? C1G P2 C1F C6F -5.3(6) . . . . ? Au2 P2 C1F C6F 120.2(5) . . . . ? C1H P2 C1F C2F 65.8(5) . . . . ? C1G P2 C1F C2F 176.3(5) . . . . ? Au2 P2 C1F C2F -58.2(5) . . . . ? C6F C1F C2F C3F -0.6(9) . . . . ? P2 C1F C2F C3F 177.8(5) . . . . ? C1F C2F C3F C4F -0.3(10) . . . . ? C2F C3F C4F C5F 1.1(10) . . . . ? C3F C4F C5F C6F -0.9(10) . . . . ? C2F C1F C6F C5F 0.8(9) . . . . ? P2 C1F C6F C5F -177.6(4) . . . . ? C4F C5F C6F C1F 0.0(9) . . . . ? C1F P2 C1G C6G -103.3(5) . . . . ? C1H P2 C1G C6G 7.0(5) . . . . ? Au2 P2 C1G C6G 135.8(4) . . . . ? C1F P2 C1G C2G 75.8(5) . . . . ? C1H P2 C1G C2G -173.9(4) . . . . ? Au2 P2 C1G C2G -45.1(5) . . . . ? C6G C1G C2G C3G -2.1(9) . . . . ? P2 C1G C2G C3G 178.8(5) . . . . ? C1G C2G C3G C4G 1.4(9) . . . . ? C2G C3G C4G C5G 0.3(9) . . . . ? C3G C4G C5G C6G -1.2(9) . . . . ? C2G C1G C6G C5G 1.1(8) . . . . ? P2 C1G C6G C5G -179.8(4) . . . . ? C4G C5G C6G C1G 0.5(9) . . . . ? C1F P2 C1H C6H -156.1(5) . . . . ? C1G P2 C1H C6H 92.1(5) . . . . ? Au2 P2 C1H C6H -36.8(5) . . . . ? C1F P2 C1H C2H 27.5(5) . . . . ? C1G P2 C1H C2H -84.4(5) . . . . ? Au2 P2 C1H C2H 146.7(4) . . . . ? C6H C1H C2H C3H 0.0(8) . . . . ? P2 C1H C2H C3H 176.4(4) . . . . ? C1H C2H C3H C4H -0.8(9) . . . . ? C2H C3H C4H C5H 0.6(9) . . . . ? C3H C4H C5H C6H 0.4(10) . . . . ? C4H C5H C6H C1H -1.1(10) . . . . ? C2H C1H C6H C5H 0.9(9) . . . . ? P2 C1H C6H C5H -175.5(5) . . . . ? _diffrn_measured_fraction_theta_max 0.985 _diffrn_reflns_theta_full 25.74 _diffrn_measured_fraction_theta_full 0.985 _refine_diff_density_max 1.800 _refine_diff_density_min -0.992 _refine_diff_density_rms 0.148 #===END # Formatted by publCIF