data_yj8-new-3 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C118 H74 Ag8 F18 N24 O32 Ru6 S6' _chemical_formula_weight 4343.75 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ru' 'Ru' -1.2594 0.8363 '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' 'Ag' 'Ag' -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'F' 'F' 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 26.067(4) _cell_length_b 18.903(3) _cell_length_c 31.276(5) _cell_angle_alpha 90.00 _cell_angle_beta 94.391(10) _cell_angle_gamma 90.00 _cell_volume 15365(4) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 8396 _cell_measurement_theta_min 2.32 _cell_measurement_theta_max 17.24 _exptl_crystal_description block _exptl_crystal_colour yellow _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.878 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 8416 _exptl_absorpt_coefficient_mu 1.743 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 23763 _diffrn_reflns_av_R_equivalents 0.2073 _diffrn_reflns_av_sigmaI/netI 0.1748 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 1.31 _diffrn_reflns_theta_max 17.32 _reflns_number_total 4583 _reflns_number_gt 2293 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.2350P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4583 _refine_ls_number_parameters 587 _refine_ls_number_restraints 47 _refine_ls_R_factor_all 0.2223 _refine_ls_R_factor_gt 0.1217 _refine_ls_wR_factor_ref 0.3080 _refine_ls_wR_factor_gt 0.2727 _refine_ls_goodness_of_fit_ref 1.512 _refine_ls_restrained_S_all 1.505 _refine_ls_shift/su_max 1.175 _refine_ls_shift/su_mean 0.064 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 Ag1 Ag 0.76481(16) 0.1119(2) 0.61915(13) 0.0781(16) Uani 1 1 d . . . Ru1 Ru 0.71418(17) 0.2636(2) 0.68252(13) 0.0639(16) Uani 1 1 d . . . Ru3 Ru 0.90233(16) 0.3936(2) 0.61292(13) 0.0695(16) Uani 1 1 d . . . Ru2 Ru 0.69149(19) 0.5213(2) 0.56862(14) 0.0810(17) Uani 1 1 d . . . Ag4 Ag 0.77723(16) 0.4420(2) 0.66557(12) 0.0731(15) Uani 1 1 d . . . Ag3 Ag 0.8911(2) 0.3849(3) 0.49306(14) 0.124(2) Uani 1 1 d . . . Ag2 Ag 0.6094(2) 0.3886(3) 0.50612(15) 0.134(2) Uani 1 1 d . . . N62 N 0.6493(14) 0.370(2) 0.5741(12) 0.063(12) Uiso 1 1 d . . . N63 N 0.6772(15) 0.423(2) 0.5933(13) 0.071(13) Uiso 1 1 d . . . N60 N 0.6860(13) 0.3246(18) 0.6342(10) 0.044(11) Uiso 1 1 d . . . C37 C 0.6538(17) 0.315(3) 0.5999(15) 0.055(15) Uiso 1 1 d . . . N61 N 0.6977(14) 0.396(2) 0.6291(12) 0.067(12) Uiso 1 1 d . . . C33 C 0.6286(15) 0.116(2) 0.6086(12) 0.041(13) Uiso 1 1 d . . . H33 H 0.6436 0.0752 0.6205 0.049 Uiso 1 1 calc R . . C31 C 0.6291(18) 0.242(2) 0.5951(13) 0.054(14) Uiso 1 1 d . . . C36 C 0.5852(19) 0.238(3) 0.5686(14) 0.075(16) Uiso 1 1 d . . . H36 H 0.5709 0.2780 0.5550 0.090 Uiso 1 1 calc R . . C32 C 0.651(2) 0.180(3) 0.6164(16) 0.081(17) Uiso 1 1 d . . . O51 O 0.6973(12) 0.1874(15) 0.6390(9) 0.069(10) Uiso 1 1 d . . . O52 O 0.6750(11) 0.4745(17) 0.5107(9) 0.070(11) Uani 1 1 d . . . C40 C 0.681(2) 0.498(3) 0.4366(16) 0.091(19) Uiso 1 1 d . . . H40 H 0.6452 0.5042 0.4329 0.109 Uiso 1 1 calc R . . C39 C 0.708(2) 0.483(3) 0.4814(17) 0.067(17) Uiso 1 1 d . . . C38 C 0.760(2) 0.478(2) 0.4837(15) 0.061(16) Uiso 1 1 d . . . S1 S 0.8402(8) 0.0249(15) 0.7197(7) 0.115(7) Uani 1 1 d . . . N52 N 0.8391(15) 0.437(2) 0.5734(13) 0.075(13) Uiso 1 1 d . . . N54 N 0.7668(15) 0.487(2) 0.5605(13) 0.072(13) Uiso 1 1 d . . . N53 N 0.8000(17) 0.465(2) 0.5932(12) 0.074(13) Uiso 1 1 d . . . C44 C 0.788(2) 0.466(3) 0.5243(17) 0.078(18) Uiso 1 1 d . . . N55 N 0.8490(13) 0.3147(19) 0.6277(10) 0.051(11) Uiso 1 1 d . . . N56 N 0.8080(14) 0.3257(19) 0.6537(10) 0.054(11) Uiso 1 1 d . . . N57 N 0.7806(14) 0.266(2) 0.6518(10) 0.051(11) Uiso 1 1 d . . . N58 N 0.8044(19) 0.219(2) 0.6343(13) 0.089(15) Uiso 1 1 d . . . C11 C 0.627(2) 0.574(3) 0.6057(17) 0.080(17) Uiso 1 1 d . . . C12 C 0.678(2) 0.576(3) 0.6281(17) 0.091(19) Uiso 1 1 d . . . H12 H 0.6815 0.5571 0.6555 0.109 Uiso 1 1 calc R . . C16 C 0.623(2) 0.596(3) 0.5599(19) 0.12(2) Uiso 1 1 d . . . H16 H 0.5932 0.5902 0.5424 0.140 Uiso 1 1 calc R . . C3 C 0.728(2) 0.191(3) 0.7368(14) 0.078(17) Uiso 1 1 d . . . H3 H 0.7424 0.1461 0.7375 0.093 Uiso 1 1 calc R . . C1 C 0.650(2) 0.269(3) 0.7257(14) 0.069(16) Uiso 1 1 d D . . C25 C 0.918(2) 0.460(3) 0.6688(17) 0.094(19) Uiso 1 1 d . . . H25 H 0.8915 0.4790 0.6834 0.113 Uiso 1 1 calc R . . C24 C 0.935(2) 0.505(3) 0.6360(17) 0.089(18) Uiso 1 1 d . . . C22 C 0.988(3) 0.402(3) 0.628(2) 0.14(3) Uiso 1 1 d . . . H22 H 1.0186 0.3860 0.6174 0.172 Uiso 1 1 calc R . . C34 C 0.5824(16) 0.112(2) 0.5826(13) 0.051(14) Uiso 1 1 d . . . H34 H 0.5663 0.0680 0.5794 0.061 Uiso 1 1 calc R . . C45 C 0.8863(16) 0.217(2) 0.5917(12) 0.029(12) Uiso 1 1 d . . . C51 C 0.843(2) 0.244(3) 0.6175(15) 0.065(16) Uiso 1 1 d . . . C50 C 0.896(2) 0.147(3) 0.5974(16) 0.083(17) Uiso 1 1 d . . . H50 H 0.8784 0.1229 0.6177 0.100 Uiso 1 1 calc R . . C49 C 0.9313(19) 0.111(3) 0.5730(14) 0.077(17) Uiso 1 1 d . . . H49 H 0.9351 0.0618 0.5753 0.092 Uiso 1 1 calc R . . C2 C 0.678(2) 0.202(3) 0.7304(16) 0.10(2) Uiso 1 1 d . . . H2 H 0.6572 0.1621 0.7286 0.118 Uiso 1 1 calc R . . C6 C 0.685(2) 0.332(3) 0.7309(14) 0.076(17) Uiso 1 1 d . . . H6 H 0.6725 0.3780 0.7273 0.092 Uiso 1 1 calc R . . C5 C 0.7348(18) 0.319(3) 0.7409(12) 0.056(15) Uiso 1 1 d . . . H5 H 0.7568 0.3574 0.7471 0.068 Uiso 1 1 calc R . . C10 C 0.814(2) 0.243(3) 0.7538(16) 0.11(2) Uiso 1 1 d . . . H10A H 0.8269 0.2057 0.7366 0.162 Uiso 1 1 calc R . . H10B H 0.8200 0.2309 0.7836 0.162 Uiso 1 1 calc R . . H10C H 0.8312 0.2863 0.7482 0.162 Uiso 1 1 calc R . . C4 C 0.755(2) 0.252(3) 0.7424(17) 0.095(19) Uiso 1 1 d . . . C35 C 0.5609(19) 0.166(3) 0.5624(14) 0.073(16) Uiso 1 1 d . . . H35 H 0.5310 0.1608 0.5446 0.087 Uiso 1 1 calc R . . C41 C 0.7112(19) 0.504(2) 0.4019(14) 0.055(15) Uiso 1 1 d . . . H41 H 0.6952 0.5081 0.3745 0.066 Uiso 1 1 calc R . . C43 C 0.787(2) 0.482(3) 0.4467(15) 0.078(17) Uiso 1 1 d . . . H43 H 0.8218 0.4690 0.4486 0.094 Uiso 1 1 calc R . . O56 O 0.8187(15) 0.079(2) 0.6922(11) 0.101(13) Uani 1 1 d . . . O55 O 0.8284(17) 0.025(3) 0.7616(13) 0.15(2) Uani 1 1 d . . . O54 O 0.8403(18) -0.046(3) 0.6993(13) 0.141(18) Uani 1 1 d . . . C26 C 0.9330(17) 0.396(2) 0.6825(14) 0.056(15) Uiso 1 1 d . . . H26 H 0.9200 0.3763 0.7067 0.067 Uiso 1 1 calc R . . C21 C 0.9683(19) 0.358(3) 0.6598(15) 0.067(16) Uiso 1 1 d . . . O57 O 0.9075(11) 0.3269(19) 0.5603(8) 0.067(10) Uani 1 1 d . . . C46 C 0.913(2) 0.253(3) 0.5655(15) 0.066(16) Uiso 1 1 d . . . C47 C 0.9560(17) 0.220(2) 0.5422(13) 0.057(15) Uiso 1 1 d . . . H47 H 0.9777 0.2475 0.5266 0.068 Uiso 1 1 calc R . . C48 C 0.9605(19) 0.150(3) 0.5452(15) 0.073(16) Uiso 1 1 d . . . H48 H 0.9833 0.1265 0.5287 0.088 Uiso 1 1 calc R . . C23 C 0.9687(18) 0.467(3) 0.6097(15) 0.065(16) Uiso 1 1 d . . . H23 H 0.9771 0.4836 0.5831 0.078 Uiso 1 1 calc R . . C30 C 0.913(3) 0.577(4) 0.615(2) 0.14(3) Uiso 1 1 d D . . C15 C 0.670(2) 0.627(3) 0.5434(17) 0.087(18) Uiso 1 1 d . . . H15 H 0.6709 0.6411 0.5151 0.104 Uiso 1 1 calc R . . N59 N 0.8331(17) 0.440(2) 0.5309(14) 0.084(14) Uiso 1 1 d . . . C13 C 0.722(2) 0.604(3) 0.6129(17) 0.092(19) Uiso 1 1 d . . . H13 H 0.7539 0.6042 0.6283 0.111 Uiso 1 1 calc R . . F3 F 0.917(2) 0.098(3) 0.7366(19) 0.22(3) Uani 1 1 d . . . C42 C 0.764(2) 0.503(3) 0.4069(17) 0.091(19) Uiso 1 1 d . . . H42 H 0.7841 0.5165 0.3846 0.109 Uiso 1 1 calc R . . F1 F 0.934(3) -0.010(3) 0.745(2) 0.26(3) Uani 1 1 d . . . C20 C 0.768(2) 0.652(4) 0.5520(19) 0.17(3) Uiso 1 1 d . . . H20A H 0.7955 0.6252 0.5668 0.255 Uiso 1 1 calc R . . H20B H 0.7754 0.7015 0.5553 0.255 Uiso 1 1 calc R . . H20C H 0.7660 0.6398 0.5221 0.255 Uiso 1 1 calc R . . C19 C 0.558(3) 0.605(4) 0.645(3) 0.24(4) Uiso 1 1 d . . . H19A H 0.5265 0.5901 0.6568 0.365 Uiso 1 1 calc R . . H19B H 0.5501 0.6410 0.6240 0.365 Uiso 1 1 calc R . . H19C H 0.5814 0.6223 0.6673 0.365 Uiso 1 1 calc R . . C18 C 0.580(3) 0.483(4) 0.657(3) 0.24(4) Uiso 1 1 d . . . H18A H 0.6032 0.4940 0.6812 0.356 Uiso 1 1 calc R . . H18B H 0.5893 0.4381 0.6452 0.356 Uiso 1 1 calc R . . H18C H 0.5455 0.4795 0.6661 0.356 Uiso 1 1 calc R . . C14 C 0.713(2) 0.633(3) 0.5724(19) 0.10(2) Uiso 1 1 d . . . S2 S 0.1420(10) 0.5255(14) 0.2136(8) 0.168(10) Uani 1 1 d . . . O58 O 0.1487(15) 0.578(2) 0.2466(13) 0.126(15) Uiso 1 1 d . . . F2 F 0.9256(18) 0.043(3) 0.6870(14) 0.21(2) Uani 1 1 d . . . C158 C 0.925(5) 0.039(4) 0.735(4) 0.20(8) Uani 1 1 d . . . O60 O 0.177(3) 0.477(4) 0.203(2) 0.26(3) Uiso 1 1 d . . . F5 F 0.0446(14) 0.5356(19) 0.2220(12) 0.136(15) Uiso 1 1 d D . . F6 F 0.0651(16) 0.458(2) 0.1814(12) 0.154(15) Uiso 1 1 d D . . F4 F 0.080(3) 0.463(4) 0.242(3) 0.32(4) Uiso 1 1 d D . . O61 O 0.2451(12) 0.6998(19) 0.4547(10) 0.089(12) Uani 1 1 d . . . C202 C 0.078(2) 0.499(3) 0.2102(19) 0.41(14) Uani 1 1 d D . . O59 O 0.115(3) 0.564(4) 0.172(2) 0.28(4) Uiso 1 1 d . . . C17 C 0.582(3) 0.540(4) 0.623(2) 0.16(3) Uiso 1 1 d . . . H17 H 0.5582 0.5264 0.5987 0.190 Uiso 1 1 calc R . . S4 S 0.9664(18) 0.845(3) 0.5459(15) 1.13(13) Uani 1 1 d D . . O13 O 0.914(3) 0.832(3) 0.546(2) 0.23(3) Uani 1 1 d DU . . F13 F 0.986(3) 0.841(4) 0.617(2) 0.32(3) Uani 1 1 d U . . F14 F 0.950(4) 0.922(5) 0.632(3) 0.44(5) Uani 1 1 d U . . O15 O 0.952(3) 0.916(3) 0.544(2) 0.21(3) Uani 1 1 d DU . . O14 O 0.969(15) 0.913(7) 0.526(12) 1.3(3) Uani 1 1 d DU . . O101 O 0.7666(14) 0.5333(18) 0.7095(13) 0.131(16) Uani 1 1 d . . . C91 C 0.300(3) 0.708(5) 0.518(3) 0.26(7) Uani 1 1 d . . . C204 C 0.291(3) 0.772(6) 0.476(2) 0.33(9) Uani 1 1 d . . . F15 F 0.928(3) 0.830(5) 0.615(3) 0.38(4) Uani 1 1 d U . . C27 C 0.993(3) 0.286(4) 0.668(2) 0.13(2) Uiso 1 1 d D . . C28 C 0.963(4) 0.267(6) 0.706(3) 0.18(5) Uiso 0.60 1 d PD . . C29 C 1.043(3) 0.294(7) 0.696(3) 0.18(5) Uiso 0.60 1 d PD . . C29A C 0.949(5) 0.635(6) 0.644(4) 0.08(4) Uiso 0.40 1 d P . . C28A C 0.872(5) 0.595(9) 0.645(4) 0.15(7) Uiso 0.40 1 d PD . . C7 C 0.600(2) 0.296(4) 0.718(2) 0.18(3) Uiso 1 1 d D . . C8 C 0.581(4) 0.326(5) 0.759(3) 0.25(5) Uiso 1 1 d D . . C9 C 0.568(3) 0.236(4) 0.697(2) 0.17(3) Uiso 1 1 d D . . C92 C 0.260(4) 0.791(4) 0.486(3) 0.18(4) Uiso 1 1 d . . . O11 O 0.938(3) 0.558(4) 0.494(3) 0.28(4) Uiso 1 1 d . . . C301 C 0.899(4) 0.683(5) 0.474(3) 0.25(4) Uiso 1 1 d . . . O12 O 0.738(3) 0.780(4) 0.639(2) 0.28(3) Uiso 1 1 d . . . C302 C 0.816(3) 0.776(4) 0.651(2) 0.19(3) Uiso 1 1 d . . . C303 C 0.931(3) 0.595(4) 0.478(2) 0.12(3) 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 Ag1 0.072(3) 0.059(3) 0.104(4) -0.008(3) 0.013(3) 0.003(3) Ru1 0.057(4) 0.073(4) 0.064(3) -0.006(3) 0.018(2) -0.009(3) Ru3 0.052(3) 0.096(4) 0.061(3) -0.007(3) 0.007(2) -0.013(3) Ru2 0.095(4) 0.064(4) 0.085(4) -0.001(3) 0.017(3) 0.020(3) Ag4 0.085(4) 0.076(3) 0.061(3) -0.020(3) 0.024(2) -0.008(3) Ag3 0.153(5) 0.156(5) 0.069(3) 0.016(3) 0.055(3) 0.048(4) Ag2 0.138(5) 0.174(6) 0.084(4) 0.014(4) -0.025(3) -0.042(4) O52 0.04(2) 0.13(3) 0.05(2) -0.03(2) 0.036(19) 0.00(2) S1 0.106(19) 0.17(2) 0.070(18) 0.030(18) -0.004(14) 0.018(17) O56 0.13(4) 0.13(4) 0.04(3) -0.01(3) 0.01(2) 0.01(3) O55 0.17(5) 0.25(6) 0.04(3) -0.01(3) 0.02(3) -0.05(4) O54 0.17(5) 0.16(5) 0.09(4) 0.03(4) 0.00(3) 0.05(4) O57 0.07(3) 0.11(3) 0.030(19) -0.03(2) 0.013(17) -0.01(2) F3 0.17(5) 0.23(7) 0.24(6) 0.06(5) -0.03(4) 0.03(5) F1 0.26(7) 0.19(7) 0.34(8) 0.12(6) 0.07(5) 0.08(6) S2 0.15(2) 0.18(2) 0.19(2) -0.09(2) 0.035(18) -0.038(19) F2 0.18(5) 0.32(7) 0.13(4) -0.02(4) 0.00(3) 0.05(4) C158 0.4(2) 0.03(7) 0.20(11) 0.07(6) 0.23(13) 0.06(8) O61 0.07(3) 0.13(3) 0.07(2) 0.03(2) 0.03(2) 0.06(2) C202 0.07(9) 0.7(3) 0.5(2) -0.4(2) -0.01(11) -0.17(13) S4 0.91(13) 2.0(3) 0.52(8) 0.89(13) 0.35(8) 1.25(18) O13 0.24(3) 0.23(3) 0.23(3) -0.002(11) 0.016(11) 0.006(11) F13 0.33(3) 0.32(3) 0.32(3) -0.002(11) 0.025(11) 0.006(11) F14 0.44(5) 0.44(5) 0.44(5) 0.002(11) 0.035(11) 0.003(11) O15 0.21(3) 0.22(3) 0.21(3) -0.004(10) 0.025(11) -0.001(10) O14 1.3(3) 1.3(3) 1.3(3) -0.001(11) 0.10(2) 0.001(11) O101 0.10(3) 0.09(3) 0.20(4) -0.09(3) -0.03(3) 0.00(2) C91 0.17(8) 0.37(12) 0.19(8) -0.25(9) -0.24(8) 0.19(8) C204 0.20(9) 0.7(2) 0.17(8) -0.37(12) 0.24(8) -0.19(11) F15 0.38(4) 0.38(4) 0.38(4) -0.001(11) 0.031(11) -0.003(11) _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 Ag1 N58 2.31(4) . ? Ag1 C41 2.38(4) 7_656 ? Ag1 O51 2.38(3) . ? Ag1 C42 2.42(5) 7_656 ? Ru1 N60 2.00(3) . ? Ru1 O51 2.01(3) . ? Ru1 N57 2.04(4) . ? Ru1 C4 2.09(5) . ? Ru1 C5 2.14(4) . ? Ru1 C2 2.17(5) . ? Ru1 C6 2.17(5) . ? Ru1 C3 2.19(5) . ? Ru1 C1 2.23(5) . ? Ru3 O57 2.09(3) . ? Ru3 N55 2.11(4) . ? Ru3 N52 2.15(4) . ? Ru3 C25 2.17(5) . ? Ru3 C23 2.23(5) . ? Ru3 C22 2.26(6) . ? Ru3 C26 2.26(4) . ? Ru3 C21 2.27(5) . ? Ru3 C24 2.37(5) . ? Ru2 O52 2.03(3) . ? Ru2 N63 2.06(4) . ? Ru2 N54 2.10(4) . ? Ru2 C12 2.18(5) . ? Ru2 C14 2.19(6) . ? Ru2 C15 2.20(5) . ? Ru2 C13 2.20(5) . ? Ru2 C16 2.26(6) . ? Ru2 C11 2.34(5) . ? Ag4 O101 2.24(3) . ? Ag4 N56 2.38(4) . ? Ag4 N53 2.42(4) . ? Ag4 N61 2.45(4) . ? Ag3 N59 2.25(4) . ? Ag3 O57 2.38(3) . ? Ag3 C35 2.42(4) 7_656 ? Ag3 C34 2.51(4) 7_656 ? Ag2 N62 2.32(4) . ? Ag2 O52 2.35(3) . ? Ag2 C48 2.45(4) 7_656 ? Ag2 C49 2.62(4) 7_656 ? N62 C37 1.30(5) . ? N62 N63 1.35(4) . ? N63 N61 1.31(4) . ? N60 C37 1.32(4) . ? N60 N61 1.39(4) . ? C37 C31 1.54(6) . ? C33 C32 1.36(5) . ? C33 C34 1.40(5) . ? C31 C36 1.36(5) . ? C31 C32 1.45(6) . ? C36 C35 1.50(6) . ? C32 O51 1.35(5) . ? O52 C39 1.31(5) . ? C40 C41 1.40(6) . ? C40 C39 1.55(6) . ? C39 C38 1.37(6) . ? C38 C43 1.40(6) . ? C38 C44 1.43(6) . ? S1 O55 1.37(4) . ? S1 O56 1.43(4) . ? S1 O54 1.48(5) . ? S1 C158 2.23(14) . ? N52 N59 1.33(4) . ? N52 N53 1.34(4) . ? N54 C44 1.35(5) . ? N54 N53 1.35(4) . ? C44 N59 1.29(5) . ? N55 C51 1.39(5) . ? N55 N56 1.41(4) . ? N56 N57 1.34(4) . ? N57 N58 1.22(4) . ? N58 C51 1.26(5) . ? C11 C12 1.46(6) . ? C11 C17 1.47(7) . ? C11 C16 1.49(6) . ? C12 C13 1.38(6) . ? C16 C15 1.48(6) . ? C3 C2 1.32(6) . ? C3 C4 1.35(6) . ? C1 C7 1.41(2) . ? C1 C2 1.45(6) . ? C1 C6 1.50(6) . ? C25 C26 1.33(5) . ? C25 C24 1.43(6) . ? C24 C23 1.44(6) . ? C24 C30 1.60(7) . ? C22 C21 1.43(7) . ? C22 C23 1.43(6) . ? C34 C35 1.31(5) . ? C34 Ag3 2.51(4) 7_656 ? C45 C46 1.31(5) . ? C45 C50 1.35(5) . ? C45 C51 1.52(6) . ? C50 C49 1.43(6) . ? C49 C48 1.41(6) . ? C49 Ag2 2.62(4) 7_656 ? C6 C5 1.33(5) . ? C5 C4 1.38(6) . ? C10 C4 1.56(7) . ? C35 Ag3 2.42(4) 7_656 ? C41 C42 1.38(6) . ? C41 Ag1 2.38(4) 7_656 ? C43 C42 1.40(6) . ? C26 C21 1.40(5) . ? C21 C27 1.53(7) . ? O57 C46 1.42(5) . ? C46 C47 1.50(6) . ? C47 C48 1.34(5) . ? C48 Ag2 2.45(4) 7_656 ? C30 C28A 1.51(2) . ? C30 C29A 1.67(12) . ? C15 C14 1.39(6) . ? C13 C14 1.38(6) . ? F3 C158 1.14(7) . ? C42 Ag1 2.42(5) 7_656 ? F1 C158 1.00(7) . ? C20 C14 1.66(7) . ? C19 C17 1.55(9) . ? C18 C17 1.52(9) . ? S2 O60 1.36(7) . ? S2 O58 1.43(4) . ? S2 O59 1.60(7) . ? S2 C202 1.73(6) . ? F2 C158 1.50(11) . ? F5 C202 1.20(2) . ? F5 F4 1.74(9) . ? F6 C202 1.22(2) . ? F4 C202 1.20(2) . ? O61 C92 1.88(10) 7_566 ? O61 C204 1.90(8) . ? S4 O13 1.39(5) . ? S4 O15 1.39(5) . ? S4 O14 1.43(6) . ? F13 F15 1.52(9) . ? O15 O14 0.7(4) . ? C91 C92 1.56(10) 7_566 ? C91 C204 1.77(13) . ? C204 C92 0.95(11) . ? C27 C28 1.50(2) . ? C27 C29 1.51(2) . ? C7 C9 1.50(6) . ? C7 C8 1.52(6) . ? C92 C91 1.56(10) 7_566 ? C92 C92 1.86(16) 7_566 ? C92 O61 1.88(10) 7_566 ? O11 C303 0.88(10) . ? C301 C303 1.86(11) . ? 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 N58 Ag1 C41 137.9(17) . 7_656 ? N58 Ag1 O51 75.3(14) . . ? C41 Ag1 O51 146.7(14) 7_656 . ? N58 Ag1 C42 168.9(18) . 7_656 ? C41 Ag1 C42 33.4(13) 7_656 7_656 ? O51 Ag1 C42 113.9(16) . 7_656 ? N60 Ru1 O51 81.5(13) . . ? N60 Ru1 N57 84.7(13) . . ? O51 Ru1 N57 81.0(14) . . ? N60 Ru1 C4 151(2) . . ? O51 Ru1 C4 126.8(19) . . ? N57 Ru1 C4 91.9(18) . . ? N60 Ru1 C5 114.5(16) . . ? O51 Ru1 C5 163.6(15) . . ? N57 Ru1 C5 103.0(16) . . ? C4 Ru1 C5 38.1(16) . . ? N60 Ru1 C2 132.5(19) . . ? O51 Ru1 C2 90.1(17) . . ? N57 Ru1 C2 140.1(19) . . ? C4 Ru1 C2 63(2) . . ? C5 Ru1 C2 76.6(18) . . ? N60 Ru1 C6 93.1(16) . . ? O51 Ru1 C6 146.1(17) . . ? N57 Ru1 C6 132.1(17) . . ? C4 Ru1 C6 68(2) . . ? C5 Ru1 C6 36.0(14) . . ? C2 Ru1 C6 69.0(19) . . ? N60 Ru1 C3 167.6(18) . . ? O51 Ru1 C3 95.1(16) . . ? N57 Ru1 C3 106.6(17) . . ? C4 Ru1 C3 36.8(16) . . ? C5 Ru1 C3 68.5(17) . . ? C2 Ru1 C3 35.2(15) . . ? C6 Ru1 C3 83.0(18) . . ? N60 Ru1 C1 100.6(16) . . ? O51 Ru1 C1 108.1(16) . . ? N57 Ru1 C1 169.9(16) . . ? C4 Ru1 C1 79.3(19) . . ? C5 Ru1 C1 67.1(17) . . ? C2 Ru1 C1 38.6(16) . . ? C6 Ru1 C1 39.7(15) . . ? C3 Ru1 C1 69.0(18) . . ? O57 Ru3 N55 80.2(13) . . ? O57 Ru3 N52 82.5(14) . . ? N55 Ru3 N52 84.7(14) . . ? O57 Ru3 C25 165.4(17) . . ? N55 Ru3 C25 108.6(18) . . ? N52 Ru3 C25 109.4(19) . . ? O57 Ru3 C23 104.2(15) . . ? N55 Ru3 C23 167.4(15) . . ? N52 Ru3 C23 107.4(16) . . ? C25 Ru3 C23 64.8(19) . . ? O57 Ru3 C22 94.8(18) . . ? N55 Ru3 C22 131(2) . . ? N52 Ru3 C22 143(2) . . ? C25 Ru3 C22 71(2) . . ? C23 Ru3 C22 37.3(17) . . ? O57 Ru3 C26 137.0(15) . . ? N55 Ru3 C26 89.5(14) . . ? N52 Ru3 C26 138.3(17) . . ? C25 Ru3 C26 35.0(14) . . ? C23 Ru3 C26 79.2(16) . . ? C22 Ru3 C26 62(2) . . ? O57 Ru3 C21 103.9(16) . . ? N55 Ru3 C21 97.4(16) . . ? N52 Ru3 C21 173.4(17) . . ? C25 Ru3 C21 64.0(19) . . ? C23 Ru3 C21 70.2(17) . . ? C22 Ru3 C21 36.7(17) . . ? C26 Ru3 C21 35.9(14) . . ? O57 Ru3 C24 137.4(16) . . ? N55 Ru3 C24 142.1(17) . . ? N52 Ru3 C24 94.4(17) . . ? C25 Ru3 C24 36.4(16) . . ? C23 Ru3 C24 36.4(15) . . ? C22 Ru3 C24 63(2) . . ? C26 Ru3 C24 66.3(16) . . ? C21 Ru3 C24 80.2(18) . . ? O52 Ru2 N63 84.7(14) . . ? O52 Ru2 N54 83.8(14) . . ? N63 Ru2 N54 87.8(15) . . ? O52 Ru2 C12 158.5(17) . . ? N63 Ru2 C12 93.8(18) . . ? N54 Ru2 C12 117.6(18) . . ? O52 Ru2 C14 120.4(18) . . ? N63 Ru2 C14 155.0(19) . . ? N54 Ru2 C14 93.9(19) . . ? C12 Ru2 C14 63(2) . . ? O52 Ru2 C15 92.6(16) . . ? N63 Ru2 C15 154.9(18) . . ? N54 Ru2 C15 116.8(18) . . ? C12 Ru2 C15 79.7(19) . . ? C14 Ru2 C15 36.9(16) . . ? O52 Ru2 C13 156.0(17) . . ? N63 Ru2 C13 118.4(18) . . ? N54 Ru2 C13 90.2(18) . . ? C12 Ru2 C13 36.6(16) . . ? C14 Ru2 C13 36.7(16) . . ? C15 Ru2 C13 69.4(19) . . ? O52 Ru2 C16 93.0(17) . . ? N63 Ru2 C16 116.4(19) . . ? N54 Ru2 C16 155.3(19) . . ? C12 Ru2 C16 68(2) . . ? C14 Ru2 C16 67(2) . . ? C15 Ru2 C16 38.7(17) . . ? C13 Ru2 C16 83(2) . . ? O52 Ru2 C11 121.1(15) . . ? N63 Ru2 C11 92.3(17) . . ? N54 Ru2 C11 155.0(17) . . ? C12 Ru2 C11 37.5(15) . . ? C14 Ru2 C11 76(2) . . ? C15 Ru2 C11 67.8(18) . . ? C13 Ru2 C11 67.9(19) . . ? C16 Ru2 C11 37.7(16) . . ? O101 Ag4 N56 150.2(13) . . ? O101 Ag4 N53 118.9(15) . . ? N56 Ag4 N53 85.0(13) . . ? O101 Ag4 N61 115.0(12) . . ? N56 Ag4 N61 83.1(13) . . ? N53 Ag4 N61 83.6(13) . . ? N59 Ag3 O57 80.2(13) . . ? N59 Ag3 C35 166.0(17) . 7_656 ? O57 Ag3 C35 112.4(14) . 7_656 ? N59 Ag3 C34 136.8(15) . 7_656 ? O57 Ag3 C34 143.0(13) . 7_656 ? C35 Ag3 C34 30.8(12) 7_656 7_656 ? N62 Ag2 O52 77.2(12) . . ? N62 Ag2 C48 144.5(15) . 7_656 ? O52 Ag2 C48 138.3(14) . 7_656 ? N62 Ag2 C49 170.9(15) . 7_656 ? O52 Ag2 C49 107.1(13) . 7_656 ? C48 Ag2 C49 32.1(13) 7_656 7_656 ? C37 N62 N63 107(4) . . ? C37 N62 Ag2 135(4) . . ? N63 N62 Ag2 119(3) . . ? N61 N63 N62 105(4) . . ? N61 N63 Ru2 127(3) . . ? N62 N63 Ru2 128(3) . . ? C37 N60 N61 99(3) . . ? C37 N60 Ru1 135(3) . . ? N61 N60 Ru1 125(3) . . ? N62 C37 N60 115(4) . . ? N62 C37 C31 129(5) . . ? N60 C37 C31 116(4) . . ? N63 N61 N60 114(4) . . ? N63 N61 Ag4 122(3) . . ? N60 N61 Ag4 118(3) . . ? C32 C33 C34 120(5) . . ? C36 C31 C32 122(5) . . ? C36 C31 C37 116(4) . . ? C32 C31 C37 123(4) . . ? C31 C36 C35 117(5) . . ? O51 C32 C33 123(5) . . ? O51 C32 C31 118(5) . . ? C33 C32 C31 119(5) . . ? C32 O51 Ru1 125(3) . . ? C32 O51 Ag1 116(3) . . ? Ru1 O51 Ag1 118.6(15) . . ? C39 O52 Ru2 118(3) . . ? C39 O52 Ag2 123(3) . . ? Ru2 O52 Ag2 117.3(13) . . ? C41 C40 C39 118(5) . . ? O52 C39 C38 131(5) . . ? O52 C39 C40 113(5) . . ? C38 C39 C40 116(5) . . ? C39 C38 C43 121(5) . . ? C39 C38 C44 119(5) . . ? C43 C38 C44 120(5) . . ? O55 S1 O56 118(3) . . ? O55 S1 O54 115(3) . . ? O56 S1 O54 114(3) . . ? O55 S1 C158 95(3) . . ? O56 S1 C158 112(3) . . ? O54 S1 C158 99(3) . . ? N59 N52 N53 114(4) . . ? N59 N52 Ru3 128(4) . . ? N53 N52 Ru3 118(3) . . ? C44 N54 N53 106(4) . . ? C44 N54 Ru2 129(4) . . ? N53 N54 Ru2 123(3) . . ? N52 N53 N54 104(4) . . ? N52 N53 Ag4 128(3) . . ? N54 N53 Ag4 125(3) . . ? N59 C44 N54 114(5) . . ? N59 C44 C38 127(6) . . ? N54 C44 C38 120(5) . . ? C51 N55 N56 102(4) . . ? C51 N55 Ru3 134(3) . . ? N56 N55 Ru3 124(3) . . ? N57 N56 N55 106(3) . . ? N57 N56 Ag4 127(3) . . ? N55 N56 Ag4 120(3) . . ? N58 N57 N56 110(4) . . ? N58 N57 Ru1 132(4) . . ? N56 N57 Ru1 118(3) . . ? N57 N58 C51 112(5) . . ? N57 N58 Ag1 119(4) . . ? C51 N58 Ag1 126(4) . . ? C12 C11 C17 124(5) . . ? C12 C11 C16 116(5) . . ? C17 C11 C16 119(5) . . ? C12 C11 Ru2 66(3) . . ? C17 C11 Ru2 129(4) . . ? C16 C11 Ru2 68(3) . . ? C13 C12 C11 127(5) . . ? C13 C12 Ru2 72(3) . . ? C11 C12 Ru2 77(3) . . ? C15 C16 C11 117(5) . . ? C15 C16 Ru2 68(3) . . ? C11 C16 Ru2 74(3) . . ? C2 C3 C4 112(6) . . ? C2 C3 Ru1 71(3) . . ? C4 C3 Ru1 68(3) . . ? C7 C1 C2 140(6) . . ? C7 C1 C6 107(5) . . ? C2 C1 C6 113(5) . . ? C7 C1 Ru1 130(4) . . ? C2 C1 Ru1 68(3) . . ? C6 C1 Ru1 68(3) . . ? C26 C25 C24 133(6) . . ? C26 C25 Ru3 76(3) . . ? C24 C25 Ru3 80(3) . . ? C25 C24 C23 110(5) . . ? C25 C24 C30 133(6) . . ? C23 C24 C30 114(5) . . ? C25 C24 Ru3 64(3) . . ? C23 C24 Ru3 67(3) . . ? C30 C24 Ru3 121(4) . . ? C21 C22 C23 130(6) . . ? C21 C22 Ru3 72(3) . . ? C23 C22 Ru3 70(3) . . ? C35 C34 C33 123(5) . . ? C35 C34 Ag3 71(3) . 7_656 ? C33 C34 Ag3 105(3) . 7_656 ? C46 C45 C50 119(5) . . ? C46 C45 C51 128(5) . . ? C50 C45 C51 113(4) . . ? N58 C51 N55 109(5) . . ? N58 C51 C45 139(5) . . ? N55 C51 C45 112(4) . . ? C45 C50 C49 122(5) . . ? C48 C49 C50 118(5) . . ? C48 C49 Ag2 67(3) . 7_656 ? C50 C49 Ag2 106(3) . 7_656 ? C3 C2 C1 129(6) . . ? C3 C2 Ru1 73(3) . . ? C1 C2 Ru1 73(3) . . ? C5 C6 C1 117(5) . . ? C5 C6 Ru1 71(3) . . ? C1 C6 Ru1 72(3) . . ? C6 C5 C4 122(5) . . ? C6 C5 Ru1 73(3) . . ? C4 C5 Ru1 69(3) . . ? C3 C4 C5 126(6) . . ? C3 C4 C10 116(5) . . ? C5 C4 C10 118(5) . . ? C3 C4 Ru1 76(3) . . ? C5 C4 Ru1 73(3) . . ? C10 C4 Ru1 130(4) . . ? C34 C35 C36 119(5) . . ? C34 C35 Ag3 79(3) . 7_656 ? C36 C35 Ag3 103(3) . 7_656 ? C42 C41 C40 123(5) . . ? C42 C41 Ag1 75(3) . 7_656 ? C40 C41 Ag1 109(3) . 7_656 ? C38 C43 C42 123(5) . . ? C25 C26 C21 119(5) . . ? C25 C26 Ru3 69(3) . . ? C21 C26 Ru3 73(3) . . ? C26 C21 C22 110(5) . . ? C26 C21 C27 131(5) . . ? C22 C21 C27 118(6) . . ? C26 C21 Ru3 71(3) . . ? C22 C21 Ru3 71(3) . . ? C27 C21 Ru3 132(4) . . ? C46 O57 Ru3 121(3) . . ? C46 O57 Ag3 125(3) . . ? Ru3 O57 Ag3 113.6(15) . . ? C45 C46 O57 121(5) . . ? C45 C46 C47 123(5) . . ? O57 C46 C47 115(5) . . ? C48 C47 C46 116(5) . . ? C47 C48 C49 121(5) . . ? C47 C48 Ag2 101(3) . 7_656 ? C49 C48 Ag2 81(3) . 7_656 ? C22 C23 C24 115(5) . . ? C22 C23 Ru3 73(3) . . ? C24 C23 Ru3 77(3) . . ? C28A C30 C24 100(8) . . ? C28A C30 C29A 85(9) . . ? C24 C30 C29A 99(6) . . ? C14 C15 C16 117(5) . . ? C14 C15 Ru2 71(3) . . ? C16 C15 Ru2 73(3) . . ? C44 N59 N52 102(5) . . ? C44 N59 Ag3 138(4) . . ? N52 N59 Ag3 119(4) . . ? C12 C13 C14 113(6) . . ? C12 C13 Ru2 71(3) . . ? C14 C13 Ru2 71(3) . . ? C41 C42 C43 117(5) . . ? C41 C42 Ag1 72(3) . 7_656 ? C43 C42 Ag1 98(3) . 7_656 ? C13 C14 C15 129(6) . . ? C13 C14 C20 110(5) . . ? C15 C14 C20 116(5) . . ? C13 C14 Ru2 72(3) . . ? C15 C14 Ru2 72(3) . . ? C20 C14 Ru2 114(4) . . ? O60 S2 O58 127(4) . . ? O60 S2 O59 112(5) . . ? O58 S2 O59 107(4) . . ? O60 S2 C202 116(4) . . ? O58 S2 C202 108(3) . . ? O59 S2 C202 74(4) . . ? F1 C158 F3 159(10) . . ? F1 C158 F2 110(10) . . ? F3 C158 F2 91(7) . . ? F1 C158 S1 99(10) . . ? F3 C158 S1 87(8) . . ? F2 C158 S1 84(7) . . ? C202 F5 F4 44(3) . . ? C202 F4 F5 44(3) . . ? C92 O61 C204 71(3) 7_566 . ? F4 C202 F5 92(6) . . ? F4 C202 F6 105(7) . . ? F5 C202 F6 115(5) . . ? F4 C202 S2 98(6) . . ? F5 C202 S2 122(5) . . ? F6 C202 S2 117(4) . . ? C11 C17 C18 129(7) . . ? C11 C17 C19 101(6) . . ? C18 C17 C19 103(6) . . ? O13 S4 O15 85(4) . . ? O13 S4 O14 104(10) . . ? O15 S4 O14 31(10) . . ? O14 O15 S4 77(9) . . ? O15 O14 S4 72(9) . . ? C92 C91 C204 82(5) 7_566 . ? C92 C204 C91 95(8) . . ? C92 C204 O61 82(8) . . ? C91 C204 O61 80(5) . . ? C28 C27 C29 93(8) . . ? C28 C27 C21 96(7) . . ? C29 C27 C21 110(7) . . ? C1 C7 C9 106(6) . . ? C1 C7 C8 110(6) . . ? C9 C7 C8 117(7) . . ? C204 C92 C91 148(10) . 7_566 ? C204 C92 C92 97(10) . 7_566 ? C91 C92 C92 75(7) 7_566 7_566 ? C204 C92 O61 118(10) . 7_566 ? C91 C92 O61 86(5) 7_566 7_566 ? C92 C92 O61 65(5) 7_566 7_566 ? O11 C303 C301 145(10) . . ? _diffrn_measured_fraction_theta_max 0.964 _diffrn_reflns_theta_full 17.32 _diffrn_measured_fraction_theta_full 0.964 _refine_diff_density_max 1.226 _refine_diff_density_min -0.919 _refine_diff_density_rms 0.206