# Electronic Supplementary Material (ESI) for CrystEngComm # This journal is © The Royal Society of Chemistry 2014 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_1 #TrackingRef '1.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C17 H6 Ag5 F12 N3 O9' _chemical_formula_weight 1163.60 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' F F 0.0171 0.0103 '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' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 8.9041(8) _cell_length_b 11.5928(7) _cell_length_c 14.2517(10) _cell_angle_alpha 71.388(6) _cell_angle_beta 81.390(7) _cell_angle_gamma 88.826(6) _cell_volume 1377.88(18) _cell_formula_units_Z 2 _cell_measurement_temperature 296 _cell_measurement_reflns_used 5363 _cell_measurement_theta_min 2.9526 _cell_measurement_theta_max 29.2605 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.18 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.805 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1088 _exptl_absorpt_coefficient_mu 3.624 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5310 _exptl_absorpt_correction_T_max 0.5615 _exptl_absorpt_process_details SADABS(2009) _exptl_special_details ; ? ; _diffrn_ambient_temperature 296 _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_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 10263 _diffrn_reflns_av_R_equivalents 0.0231 _diffrn_reflns_av_sigmaI/netI 0.0370 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 3.01 _diffrn_reflns_theta_max 25.00 _reflns_number_total 4837 _reflns_number_gt 3994 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.0663P)^2^+7.0099P] 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 4837 _refine_ls_number_parameters 461 _refine_ls_number_restraints 109 _refine_ls_R_factor_all 0.0620 _refine_ls_R_factor_gt 0.0511 _refine_ls_wR_factor_ref 0.1380 _refine_ls_wR_factor_gt 0.1309 _refine_ls_goodness_of_fit_ref 1.065 _refine_ls_restrained_S_all 1.062 _refine_ls_shift/su_max 0.000 _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 Ag1 Ag 0.80714(7) 0.55194(6) 0.11802(5) 0.0435(2) Uani 1 1 d . . . Ag2 Ag 0.57264(8) 0.60656(6) 0.00003(5) 0.0471(2) Uani 1 1 d . . . Ag3 Ag 0.49864(8) 0.53190(7) 0.22622(6) 0.0546(2) Uani 1 1 d . . . Ag4 Ag 0.78941(8) 0.39043(7) -0.00842(6) 0.0552(2) Uani 1 1 d . . . Ag5 Ag 0.5000 0.5000 0.5000 0.0922(5) Uani 1 2 d S . . Ag6 Ag 0.98532(19) 0.86488(15) 0.05847(14) 0.0661(4) Uani 0.50 1 d P . . O1 O 0.4426(8) 0.1837(6) 0.3099(5) 0.0629(19) Uani 1 1 d . . . O2 O 0.7515(9) 0.2021(6) -0.0334(6) 0.073(2) Uani 1 1 d . . . O3 O 0.5170(8) 0.2410(6) -0.0671(6) 0.0659(19) Uani 1 1 d . . . O4 O 0.9448(8) 0.4825(7) -0.1617(5) 0.0651(19) Uani 1 1 d . . . O5 O 0.7499(10) 0.4511(11) -0.2219(12) 0.169(7) Uani 1 1 d . . . O6 O 0.9550(7) 0.6758(7) -0.0352(5) 0.066(2) Uani 1 1 d . . . O7 O 0.7582(6) 0.7267(6) -0.1178(5) 0.0526(16) Uani 1 1 d . . . O8 O 0.6076(8) 0.6461(6) 0.3021(5) 0.0612(18) Uani 1 1 d . . . O9 O 0.8051(8) 0.7157(6) 0.1812(6) 0.0624(18) Uani 1 1 d . . . N1 N 0.5550(12) 0.3494(7) 0.4472(6) 0.066(3) Uani 1 1 d . . . N2 N 0.4810(11) 0.3348(7) 0.3791(6) 0.062(2) Uani 1 1 d . . . N3 N 0.5192(9) 0.2279(6) 0.3687(6) 0.0498(18) Uani 1 1 d . . . C1 C 0.6179(8) 0.4276(6) 0.1179(5) 0.0333(16) Uani 1 1 d D . . C2 C 0.5752(8) 0.3231(6) 0.1558(6) 0.0358(17) Uani 1 1 d D . . C3 C 0.5344(11) 0.1949(7) 0.2132(7) 0.048(2) Uani 1 1 d . . . H3A H 0.4779 0.1603 0.1749 0.058 Uiso 1 1 calc R . . H3B H 0.6263 0.1493 0.2239 0.058 Uiso 1 1 calc R . . C4 C 0.6174(10) 0.1691(7) 0.4303(6) 0.044(2) Uani 1 1 d . . . C5 C 0.6869(11) 0.0568(8) 0.4490(7) 0.053(2) Uani 1 1 d . . . H5 H 0.6693 0.0026 0.4155 0.064 Uiso 1 1 calc R . . C6 C 0.7811(12) 0.0311(9) 0.5183(8) 0.064(3) Uani 1 1 d . . . H6 H 0.8311 -0.0423 0.5318 0.076 Uiso 1 1 calc R . . C7 C 0.8068(16) 0.1111(11) 0.5713(9) 0.082(4) Uani 1 1 d . . . H7 H 0.8711 0.0883 0.6195 0.098 Uiso 1 1 calc R . . C8 C 0.7395(16) 0.2212(10) 0.5534(8) 0.074(3) Uani 1 1 d . . . H8 H 0.7575 0.2751 0.5870 0.089 Uiso 1 1 calc R . . C9 C 0.6406(12) 0.2486(8) 0.4807(6) 0.052(2) Uani 1 1 d . . . C10 C 0.6367(12) 0.1881(8) -0.0677(8) 0.053(2) Uani 1 1 d . A . C11 C 0.6525(11) 0.0948(11) -0.1216(9) 0.087(4) Uani 1 1 d D . . C12 C 0.8766(11) 0.4834(9) -0.2314(9) 0.063(3) Uani 1 1 d . . . C13 C 0.9642(18) 0.5277(12) -0.3371(13) 0.129(7) Uani 1 1 d D B . C14 C 0.8923(9) 0.7288(7) -0.1099(7) 0.044(2) Uani 1 1 d . C . C15 C 0.9985(10) 0.8077(7) -0.2001(7) 0.061(3) Uani 1 1 d D . . C16 C 0.7200(12) 0.7126(9) 0.2579(8) 0.054(2) Uani 1 1 d . D . C17 C 0.7593(12) 0.8036(11) 0.3089(8) 0.092(4) Uani 1 1 d D . . F1 F 0.6989(15) -0.0110(9) -0.0696(12) 0.142(6) Uani 0.844(17) 1 d PD A 1 F3 F 0.5264(15) 0.0667(14) -0.1458(14) 0.182(9) Uani 0.844(17) 1 d PD A 1 F2 F 0.749(2) 0.1330(16) -0.2045(10) 0.214(11) Uani 0.844(17) 1 d PD A 1 F2' F 0.620(4) 0.127(8) -0.204(4) 0.214(11) Uani 0.156(17) 1 d PD A 2 F1' F 0.774(7) 0.052(4) -0.139(3) 0.142(6) Uani 0.156(17) 1 d PD A 2 F3' F 0.574(5) 0.004(4) -0.078(4) 0.182(9) Uani 0.156(17) 1 d PD A 2 F4 F 0.964(3) 0.443(2) -0.3763(11) 0.339(19) Uani 0.964(14) 1 d PD B 1 F5 F 1.1059(14) 0.5464(11) -0.3405(8) 0.148(5) Uani 0.964(14) 1 d PD B 1 F6 F 0.9159(16) 0.6293(14) -0.3892(9) 0.205(8) Uani 0.964(14) 1 d PD B 1 F4' F 1.048(15) 0.425(17) -0.296(14) 0.339(19) Uani 0.036(14) 1 d PD B 2 F5' F 1.005(11) 0.631(16) -0.315(13) 0.148(5) Uani 0.036(14) 1 d PD B 2 F6' F 0.84(3) 0.521(7) -0.384(16) 0.205(8) Uani 0.036(14) 1 d PD B 2 F8 F 1.1023(9) 0.7438(9) -0.2373(7) 0.079(3) Uani 0.689(8) 1 d PD C 1 F7 F 0.9268(15) 0.8690(11) -0.2745(9) 0.118(4) Uani 0.689(8) 1 d PDU C 1 F9 F 1.0748(13) 0.8903(10) -0.1771(9) 0.104(3) Uani 0.689(8) 1 d PDU C 1 F7' F 0.990(2) 0.778(2) -0.2765(17) 0.118(4) Uani 0.311(8) 1 d PDU C 2 F9' F 0.971(3) 0.9193(16) -0.2236(17) 0.104(3) Uani 0.311(8) 1 d PDU C 2 F8' F 1.1388(18) 0.8085(14) -0.1952(14) 0.079(3) Uani 0.311(8) 1 d PD C 2 F11 F 0.7392(18) 0.7629(13) 0.4055(9) 0.150(6) Uani 0.836(15) 1 d PD D 1 F12 F 0.680(2) 0.9000(12) 0.2824(15) 0.245(14) Uani 0.836(15) 1 d PD D 1 F10 F 0.8992(15) 0.8394(13) 0.2892(10) 0.161(7) Uani 0.836(15) 1 d PD D 1 F12' F 0.808(3) 0.897(5) 0.236(5) 0.245(14) Uani 0.164(15) 1 d PD D 2 F11' F 0.637(7) 0.818(4) 0.361(3) 0.150(6) Uani 0.164(15) 1 d PD D 2 F10' F 0.860(5) 0.746(4) 0.358(2) 0.161(7) Uani 0.164(15) 1 d PD D 2 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 0.0346(3) 0.0527(4) 0.0467(4) -0.0197(3) -0.0072(3) -0.0099(3) Ag2 0.0454(4) 0.0399(3) 0.0515(4) -0.0037(3) -0.0171(3) -0.0040(3) Ag3 0.0466(4) 0.0582(4) 0.0601(5) -0.0250(4) 0.0029(3) -0.0001(3) Ag4 0.0393(4) 0.0734(5) 0.0608(5) -0.0386(4) 0.0062(3) 0.0018(3) Ag5 0.1585(15) 0.0557(7) 0.0596(8) -0.0271(6) 0.0077(8) 0.0321(8) Ag6 0.0537(9) 0.0653(9) 0.0851(12) -0.0331(9) -0.0087(8) 0.0043(7) O1 0.055(4) 0.060(4) 0.060(4) 0.003(3) -0.012(3) -0.013(3) O2 0.078(5) 0.065(4) 0.103(6) -0.054(4) -0.045(5) 0.026(4) O3 0.052(4) 0.064(4) 0.091(6) -0.040(4) -0.009(4) 0.012(3) O4 0.049(4) 0.078(5) 0.062(4) -0.017(4) -0.001(3) 0.005(3) O5 0.052(6) 0.134(9) 0.268(17) 0.036(10) -0.077(8) -0.012(6) O6 0.039(3) 0.093(5) 0.045(4) 0.010(4) -0.008(3) -0.009(3) O7 0.034(3) 0.055(4) 0.056(4) 0.001(3) -0.010(3) -0.003(3) O8 0.071(5) 0.066(4) 0.051(4) -0.027(3) -0.001(3) -0.018(4) O9 0.065(4) 0.062(4) 0.071(5) -0.041(4) 0.002(4) -0.009(3) N1 0.115(8) 0.044(4) 0.033(4) -0.011(3) -0.001(5) 0.019(5) N2 0.083(6) 0.051(5) 0.040(4) -0.006(4) 0.008(4) 0.026(4) N3 0.065(5) 0.037(4) 0.043(4) -0.008(3) -0.007(4) 0.005(3) C1 0.034(4) 0.033(4) 0.030(4) -0.007(3) -0.002(3) 0.000(3) C2 0.025(4) 0.039(4) 0.044(5) -0.013(4) -0.013(3) 0.007(3) C3 0.053(5) 0.030(4) 0.058(6) -0.006(4) -0.016(5) 0.000(4) C4 0.054(5) 0.040(4) 0.032(4) -0.004(4) 0.001(4) 0.000(4) C5 0.061(6) 0.045(5) 0.049(5) -0.011(4) -0.005(5) 0.008(4) C6 0.065(7) 0.054(6) 0.061(6) -0.006(5) -0.003(5) 0.014(5) C7 0.113(10) 0.078(8) 0.052(6) -0.007(6) -0.036(7) 0.004(7) C8 0.114(10) 0.066(7) 0.046(6) -0.020(5) -0.014(6) 0.000(7) C9 0.082(7) 0.039(4) 0.031(4) -0.009(4) 0.000(4) 0.004(4) C10 0.059(6) 0.041(5) 0.060(6) -0.019(4) -0.008(5) 0.003(4) C11 0.093(10) 0.093(9) 0.104(11) -0.064(9) -0.032(8) 0.021(8) C12 0.036(5) 0.055(6) 0.088(8) 0.000(5) -0.027(5) 0.004(4) C13 0.161(19) 0.138(15) 0.075(11) 0.005(11) -0.057(12) -0.044(14) C14 0.036(5) 0.040(4) 0.046(5) -0.004(4) -0.001(4) 0.000(4) C15 0.056(6) 0.057(6) 0.055(6) 0.005(5) -0.012(5) 0.000(5) C16 0.058(6) 0.054(5) 0.060(6) -0.030(5) -0.006(5) -0.005(5) C17 0.107(11) 0.095(10) 0.088(10) -0.059(8) 0.014(8) -0.021(8) F1 0.143(11) 0.072(7) 0.238(17) -0.086(9) -0.037(11) 0.024(6) F3 0.120(10) 0.237(16) 0.32(2) -0.236(18) -0.118(11) 0.064(10) F2 0.34(3) 0.196(15) 0.126(10) -0.122(11) 0.082(16) -0.058(18) F2' 0.34(3) 0.196(15) 0.126(10) -0.122(11) 0.082(16) -0.058(18) F1' 0.143(11) 0.072(7) 0.238(17) -0.086(9) -0.037(11) 0.024(6) F3' 0.120(10) 0.237(16) 0.32(2) -0.236(18) -0.118(11) 0.064(10) F4 0.62(5) 0.31(3) 0.106(11) -0.097(14) -0.020(18) -0.21(3) F5 0.117(8) 0.182(11) 0.092(7) 0.004(7) 0.045(6) 0.010(7) F6 0.186(13) 0.221(14) 0.122(9) 0.082(10) -0.061(9) 0.002(10) F4' 0.62(5) 0.31(3) 0.106(11) -0.097(14) -0.020(18) -0.21(3) F5' 0.117(8) 0.182(11) 0.092(7) 0.004(7) 0.045(6) 0.010(7) F6' 0.186(13) 0.221(14) 0.122(9) 0.082(10) -0.061(9) 0.002(10) F8 0.046(5) 0.096(7) 0.064(6) 0.004(4) 0.017(4) 0.012(5) F7 0.117(4) 0.118(4) 0.117(4) -0.0366(14) -0.0175(9) 0.0038(7) F9 0.104(3) 0.104(3) 0.104(3) -0.0331(13) -0.0151(9) 0.0023(7) F7' 0.117(4) 0.118(4) 0.117(4) -0.0366(14) -0.0175(9) 0.0038(7) F9' 0.104(3) 0.104(3) 0.104(3) -0.0331(13) -0.0151(9) 0.0023(7) F8' 0.046(5) 0.096(7) 0.064(6) 0.004(4) 0.017(4) 0.012(5) F11 0.204(16) 0.187(12) 0.090(8) -0.094(9) 0.007(8) -0.084(11) F12 0.35(3) 0.130(10) 0.40(3) -0.201(15) -0.28(3) 0.138(15) F10 0.170(12) 0.193(14) 0.147(11) -0.103(11) 0.016(9) -0.121(10) F12' 0.35(3) 0.130(10) 0.40(3) -0.201(15) -0.28(3) 0.138(15) F11' 0.204(16) 0.187(12) 0.090(8) -0.094(9) 0.007(8) -0.084(11) F10' 0.170(12) 0.193(14) 0.147(11) -0.103(11) 0.016(9) -0.121(10) _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 C1 2.240(7) . ? Ag1 O9 2.345(6) . ? Ag1 O4 2.375(7) 2_765 ? Ag1 O6 2.404(6) . ? Ag1 Ag2 2.8118(9) . ? Ag1 Ag3 2.9166(10) . ? Ag1 Ag4 3.0047(10) . ? Ag2 C1 2.287(7) . ? Ag2 O7 2.294(6) . ? Ag2 O3 2.338(7) 2_665 ? Ag2 C2 2.646(7) 2_665 ? Ag2 C1 2.677(7) 2_665 ? Ag2 Ag2 2.8124(13) 2_665 ? Ag2 Ag3 3.0300(11) . ? Ag2 Ag4 3.1532(10) . ? Ag2 Ag4 3.2079(10) 2_665 ? Ag3 O5 2.226(9) 2_665 ? Ag3 O8 2.269(6) . ? Ag3 C1 2.371(8) . ? Ag3 N2 2.594(7) . ? Ag4 C1 2.324(8) . ? Ag4 O4 2.344(7) . ? Ag4 O2 2.360(7) . ? Ag4 O6 2.491(6) 2_765 ? Ag4 C2 2.698(8) . ? Ag4 Ag2 3.2079(10) 2_665 ? Ag5 N1 2.133(8) . ? Ag5 N1 2.133(8) 2_666 ? Ag6 O9 2.443(7) . ? Ag6 O2 2.464(8) 2_765 ? Ag6 Ag6 3.038(3) 2_775 ? O1 N3 1.375(10) . ? O1 C3 1.462(12) . ? O2 C10 1.232(12) . ? O2 Ag6 2.464(8) 2_765 ? O3 C10 1.219(11) . ? O3 Ag2 2.338(7) 2_665 ? O4 C12 1.237(12) . ? O4 Ag1 2.375(7) 2_765 ? O5 C12 1.171(12) . ? O5 Ag3 2.226(9) 2_665 ? O6 C14 1.252(10) . ? O6 Ag4 2.491(6) 2_765 ? O7 C14 1.218(10) . ? O8 C16 1.236(11) . ? O9 C16 1.224(12) . ? N1 N2 1.306(13) . ? N1 C9 1.375(12) . ? N2 N3 1.325(10) . ? N3 C4 1.350(11) . ? C1 C2 1.202(7) . ? C1 Ag2 2.677(7) 2_665 ? C2 C3 1.472(10) . ? C2 Ag2 2.646(7) 2_665 ? C3 H3A 0.9700 . ? C3 H3B 0.9700 . ? C4 C9 1.371(12) . ? C4 C5 1.394(12) . ? C5 C6 1.349(14) . ? C5 H5 0.9300 . ? C6 C7 1.410(16) . ? C6 H6 0.9300 . ? C7 C8 1.364(16) . ? C7 H7 0.9300 . ? C8 C9 1.415(15) . ? C8 H8 0.9300 . ? C10 C11 1.507(15) . ? C11 F2' 1.20(5) . ? C11 F1' 1.20(5) . ? C11 F3' 1.21(5) . ? C11 F3 1.299(12) . ? C11 F2 1.307(12) . ? C11 F1 1.309(12) . ? C12 C13 1.52(2) . ? C12 F4' 1.89(17) . ? C13 F4 1.274(11) . ? C13 F5 1.276(11) . ? C13 F6 1.280(10) . ? C13 F6' 1.4(2) . ? C13 F5' 1.4(2) . ? C13 F4' 1.4(2) . ? C14 C15 1.519(12) . ? C15 F7' 1.255(17) . ? C15 F9' 1.257(17) . ? C15 F8' 1.261(16) . ? C15 F7 1.319(10) . ? C15 F8 1.327(9) . ? C15 F9 1.334(10) . ? C16 C17 1.531(15) . ? C17 F11' 1.26(6) . ? C17 F12' 1.27(6) . ? C17 F10' 1.27(6) . ? C17 F10 1.282(11) . ? C17 F12 1.290(11) . ? C17 F11 1.291(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 C1 Ag1 O9 130.6(3) . . ? C1 Ag1 O4 133.2(3) . 2_765 ? O9 Ag1 O4 85.8(3) . 2_765 ? C1 Ag1 O6 121.5(3) . . ? O9 Ag1 O6 89.4(3) . . ? O4 Ag1 O6 80.0(2) 2_765 . ? C1 Ag1 Ag2 52.36(18) . . ? O9 Ag1 Ag2 102.87(19) . . ? O4 Ag1 Ag2 160.00(18) 2_765 . ? O6 Ag1 Ag2 82.11(15) . . ? C1 Ag1 Ag3 52.8(2) . . ? O9 Ag1 Ag3 78.34(17) . . ? O4 Ag1 Ag3 136.10(18) 2_765 . ? O6 Ag1 Ag3 139.53(16) . . ? Ag2 Ag1 Ag3 63.84(3) . . ? C1 Ag1 Ag4 50.0(2) . . ? O9 Ag1 Ag4 165.61(19) . . ? O4 Ag1 Ag4 102.62(19) 2_765 . ? O6 Ag1 Ag4 80.8(2) . . ? Ag2 Ag1 Ag4 65.56(3) . . ? Ag3 Ag1 Ag4 102.44(3) . . ? C1 Ag2 O7 124.0(2) . . ? C1 Ag2 O3 113.9(3) . 2_665 ? O7 Ag2 O3 95.5(3) . 2_665 ? C1 Ag2 C2 137.3(2) . 2_665 ? O7 Ag2 C2 80.1(2) . 2_665 ? O3 Ag2 C2 95.7(3) 2_665 2_665 ? C1 Ag2 C1 111.5(2) . 2_665 ? O7 Ag2 C1 100.5(2) . 2_665 ? O3 Ag2 C1 109.8(2) 2_665 2_665 ? C2 Ag2 C1 26.09(16) 2_665 2_665 ? C1 Ag2 Ag1 50.86(18) . . ? O7 Ag2 Ag1 83.25(15) . . ? O3 Ag2 Ag1 92.08(19) 2_665 . ? C2 Ag2 Ag1 162.23(17) 2_665 . ? C1 Ag2 Ag1 157.19(15) 2_665 . ? C1 Ag2 Ag2 62.32(18) . 2_665 ? O7 Ag2 Ag2 128.87(18) . 2_665 ? O3 Ag2 Ag2 130.61(18) 2_665 2_665 ? C2 Ag2 Ag2 75.09(15) 2_665 2_665 ? C1 Ag2 Ag2 49.18(14) 2_665 2_665 ? Ag1 Ag2 Ag2 111.35(3) . 2_665 ? C1 Ag2 Ag3 50.65(19) . . ? O7 Ag2 Ag3 134.80(17) . . ? O3 Ag2 Ag3 63.7(2) 2_665 . ? C2 Ag2 Ag3 137.88(17) 2_665 . ? C1 Ag2 Ag3 123.84(15) 2_665 . ? Ag1 Ag2 Ag3 59.76(2) . . ? Ag2 Ag2 Ag3 90.82(3) 2_665 . ? C1 Ag2 Ag4 47.35(19) . . ? O7 Ag2 Ag4 84.87(16) . . ? O3 Ag2 Ag4 152.09(19) 2_665 . ? C2 Ag2 Ag4 111.75(17) 2_665 . ? C1 Ag2 Ag4 97.53(16) 2_665 . ? Ag1 Ag2 Ag4 60.17(2) . . ? Ag2 Ag2 Ag4 64.76(3) 2_665 . ? Ag3 Ag2 Ag4 96.57(3) . . ? C1 Ag2 Ag4 104.99(18) . 2_665 ? O7 Ag2 Ag4 129.64(15) . 2_665 ? O3 Ag2 Ag4 72.67(18) 2_665 2_665 ? C2 Ag2 Ag4 53.86(16) 2_665 2_665 ? C1 Ag2 Ag4 45.42(16) 2_665 2_665 ? Ag1 Ag2 Ag4 143.91(3) . 2_665 ? Ag2 Ag2 Ag4 62.76(3) 2_665 2_665 ? Ag3 Ag2 Ag4 84.27(3) . 2_665 ? Ag4 Ag2 Ag4 127.53(2) . 2_665 ? O5 Ag3 O8 117.5(5) 2_665 . ? O5 Ag3 C1 112.3(5) 2_665 . ? O8 Ag3 C1 128.6(3) . . ? O5 Ag3 N2 96.7(4) 2_665 . ? O8 Ag3 N2 94.4(3) . . ? C1 Ag3 N2 91.4(2) . . ? O5 Ag3 Ag1 148.8(4) 2_665 . ? O8 Ag3 Ag1 81.02(18) . . ? C1 Ag3 Ag1 48.80(17) . . ? N2 Ag3 Ag1 107.17(19) . . ? O5 Ag3 Ag2 92.4(4) 2_665 . ? O8 Ag3 Ag2 116.73(17) . . ? C1 Ag3 Ag2 48.23(16) . . ? N2 Ag3 Ag2 138.58(19) . . ? Ag1 Ag3 Ag2 56.40(2) . . ? C1 Ag4 O4 144.3(2) . . ? C1 Ag4 O2 114.9(3) . . ? O4 Ag4 O2 96.8(3) . . ? C1 Ag4 O6 115.9(3) . 2_765 ? O4 Ag4 O6 78.8(2) . 2_765 ? O2 Ag4 O6 89.1(3) . 2_765 ? C1 Ag4 C2 26.36(18) . . ? O4 Ag4 C2 168.5(2) . . ? O2 Ag4 C2 89.6(3) . . ? O6 Ag4 C2 110.9(2) 2_765 . ? C1 Ag4 Ag1 47.64(17) . . ? O4 Ag4 Ag1 106.78(19) . . ? O2 Ag4 Ag1 153.9(2) . . ? O6 Ag4 Ag1 84.74(19) 2_765 . ? C2 Ag4 Ag1 69.29(16) . . ? C1 Ag4 Ag2 46.37(16) . . ? O4 Ag4 Ag2 99.98(18) . . ? O2 Ag4 Ag2 132.89(18) . . ? O6 Ag4 Ag2 137.24(19) 2_765 . ? C2 Ag4 Ag2 68.85(15) . . ? Ag1 Ag4 Ag2 54.27(2) . . ? C1 Ag4 Ag2 55.12(18) . 2_665 ? O4 Ag4 Ag2 119.13(18) . 2_665 ? O2 Ag4 Ag2 80.94(19) . 2_665 ? O6 Ag4 Ag2 160.22(15) 2_765 2_665 ? C2 Ag4 Ag2 52.38(15) . 2_665 ? Ag1 Ag4 Ag2 96.71(3) . 2_665 ? Ag2 Ag4 Ag2 52.47(2) . 2_665 ? N1 Ag5 N1 180.0(4) . 2_666 ? O9 Ag6 O2 116.0(3) . 2_765 ? O9 Ag6 Ag6 140.51(19) . 2_775 ? O2 Ag6 Ag6 102.5(2) 2_765 2_775 ? N3 O1 C3 111.9(6) . . ? C10 O2 Ag4 117.9(6) . . ? C10 O2 Ag6 132.8(7) . 2_765 ? Ag4 O2 Ag6 101.5(3) . 2_765 ? C10 O3 Ag2 132.7(7) . 2_665 ? C12 O4 Ag4 109.6(6) . . ? C12 O4 Ag1 138.9(7) . 2_765 ? Ag4 O4 Ag1 102.5(3) . 2_765 ? C12 O5 Ag3 157.6(10) . 2_665 ? C14 O6 Ag1 120.5(5) . . ? C14 O6 Ag4 140.3(6) . 2_765 ? Ag1 O6 Ag4 97.5(2) . 2_765 ? C14 O7 Ag2 125.3(5) . . ? C16 O8 Ag3 120.5(6) . . ? C16 O9 Ag1 120.3(6) . . ? C16 O9 Ag6 135.5(6) . . ? Ag1 O9 Ag6 104.2(3) . . ? N2 N1 C9 108.7(8) . . ? N2 N1 Ag5 118.1(6) . . ? C9 N1 Ag5 132.5(7) . . ? N1 N2 N3 106.8(8) . . ? N1 N2 Ag3 110.6(6) . . ? N3 N2 Ag3 121.7(6) . . ? N2 N3 C4 112.9(8) . . ? N2 N3 O1 118.5(8) . . ? C4 N3 O1 128.0(7) . . ? C2 C1 Ag1 139.8(6) . . ? C2 C1 Ag2 143.3(6) . . ? Ag1 C1 Ag2 76.8(2) . . ? C2 C1 Ag4 94.5(6) . . ? Ag1 C1 Ag4 82.3(2) . . ? Ag2 C1 Ag4 86.3(2) . . ? C2 C1 Ag3 105.7(6) . . ? Ag1 C1 Ag3 78.4(2) . . ? Ag2 C1 Ag3 81.1(2) . . ? Ag4 C1 Ag3 158.9(3) . . ? C2 C1 Ag2 75.5(5) . 2_665 ? Ag1 C1 Ag2 141.5(3) . 2_665 ? Ag2 C1 Ag2 68.51(19) . 2_665 ? Ag4 C1 Ag2 79.5(2) . 2_665 ? Ag3 C1 Ag2 111.0(3) . 2_665 ? C1 C2 C3 172.2(8) . . ? C1 C2 Ag2 78.4(5) . 2_665 ? C3 C2 Ag2 109.3(5) . 2_665 ? C1 C2 Ag4 59.2(5) . . ? C3 C2 Ag4 122.9(6) . . ? Ag2 C2 Ag4 73.8(2) 2_665 . ? O1 C3 C2 111.3(7) . . ? O1 C3 H3A 109.4 . . ? C2 C3 H3A 109.4 . . ? O1 C3 H3B 109.4 . . ? C2 C3 H3B 109.4 . . ? H3A C3 H3B 108.0 . . ? N3 C4 C9 103.1(8) . . ? N3 C4 C5 134.7(9) . . ? C9 C4 C5 122.2(9) . . ? C6 C5 C4 116.3(9) . . ? C6 C5 H5 121.9 . . ? C4 C5 H5 121.9 . . ? C5 C6 C7 122.6(10) . . ? C5 C6 H6 118.7 . . ? C7 C6 H6 118.7 . . ? C8 C7 C6 121.5(11) . . ? C8 C7 H7 119.3 . . ? C6 C7 H7 119.3 . . ? C7 C8 C9 116.1(10) . . ? C7 C8 H8 121.9 . . ? C9 C8 H8 121.9 . . ? C4 C9 N1 108.5(9) . . ? C4 C9 C8 121.2(9) . . ? N1 C9 C8 130.3(9) . . ? O3 C10 O2 129.6(9) . . ? O3 C10 C11 116.7(9) . . ? O2 C10 C11 113.7(9) . . ? F2' C11 F1' 99(5) . . ? F2' C11 F3' 104(3) . . ? F1' C11 F3' 102(3) . . ? F2' C11 F3 54.7(6) . . ? F1' C11 F3 125(4) . . ? F3' C11 F3 53.9(6) . . ? F2' C11 F2 54.5(7) . . ? F1' C11 F2 54.0(6) . . ? F3' C11 F2 136(3) . . ? F3 C11 F2 106.6(14) . . ? F2' C11 F1 130(5) . . ? F1' C11 F1 54.0(6) . . ? F3' C11 F1 53.8(6) . . ? F3 C11 F1 103.0(11) . . ? F2 C11 F1 106.7(11) . . ? F2' C11 C10 116(5) . . ? F1' C11 C10 121(4) . . ? F3' C11 C10 113(3) . . ? F3 C11 C10 114.3(9) . . ? F2 C11 C10 111.0(10) . . ? F1 C11 C10 114.5(9) . . ? O5 C12 O4 124.8(14) . . ? O5 C12 C13 117.5(13) . . ? O4 C12 C13 117.7(9) . . ? O5 C12 F4' 126.7(15) . . ? O4 C12 F4' 91(4) . . ? C13 C12 F4' 47(7) . . ? F4 C13 F5 102.0(18) . . ? F4 C13 F6 114.3(19) . . ? F5 C13 F6 105.2(14) . . ? F4 C13 F6' 64(3) . . ? F5 C13 F6' 151(10) . . ? F6 C13 F6' 64(3) . . ? F4 C13 F5' 162(7) . . ? F5 C13 F5' 64(3) . . ? F6 C13 F5' 64(3) . . ? F6' C13 F5' 123.5(11) . . ? F4 C13 F4' 64(3) . . ? F5 C13 F4' 64(3) . . ? F6 C13 F4' 167(6) . . ? F6' C13 F4' 122.1(14) . . ? F5' C13 F4' 114(3) . . ? F4 C13 C12 109.2(14) . . ? F5 C13 C12 113.8(11) . . ? F6 C13 C12 111.9(13) . . ? F6' C13 C12 95(10) . . ? F5' C13 C12 87(7) . . ? F4' C13 C12 80(7) . . ? O7 C14 O6 128.3(8) . . ? O7 C14 C15 116.9(7) . . ? O6 C14 C15 114.8(7) . . ? F7' C15 F9' 106.1(12) . . ? F7' C15 F8' 104.4(12) . . ? F9' C15 F8' 101.6(11) . . ? F7' C15 F7 55.3(4) . . ? F9' C15 F7 54.4(4) . . ? F8' C15 F7 128.6(14) . . ? F7' C15 F8 55.9(5) . . ? F9' C15 F8 133.4(16) . . ? F8' C15 F8 54.0(4) . . ? F7 C15 F8 106.5(8) . . ? F7' C15 F9 137.2(17) . . ? F9' C15 F9 54.9(4) . . ? F8' C15 F9 53.8(4) . . ? F7 C15 F9 106.3(8) . . ? F8 C15 F9 106.3(7) . . ? F7' C15 C14 111.2(16) . . ? F9' C15 C14 114.0(15) . . ? F8' C15 C14 118.3(11) . . ? F7 C15 C14 113.0(9) . . ? F8 C15 C14 112.7(7) . . ? F9 C15 C14 111.6(9) . . ? O9 C16 O8 130.2(9) . . ? O9 C16 C17 115.6(8) . . ? O8 C16 C17 114.2(9) . . ? F11' C17 F12' 115(2) . . ? F11' C17 F10' 115.2(14) . . ? F12' C17 F10' 115.2(13) . . ? F11' C17 F10 140(3) . . ? F12' C17 F10 57.9(8) . . ? F10' C17 F10 57.4(8) . . ? F11' C17 F12 57.6(8) . . ? F12' C17 F12 57.5(8) . . ? F10' C17 F12 149(2) . . ? F10 C17 F12 106.7(14) . . ? F11' C17 F11 57.9(8) . . ? F12' C17 F11 141(3) . . ? F10' C17 F11 57.4(8) . . ? F10 C17 F11 101.5(11) . . ? F12 C17 F11 107.7(14) . . ? F11' C17 C16 106(3) . . ? F12' C17 C16 103(3) . . ? F10' C17 C16 100(2) . . ? F10 C17 C16 114.7(9) . . ? F12 C17 C16 110.3(10) . . ? F11 C17 C16 115.2(9) . . ? C13 F4' C12 53(6) . . ? 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 O9 Ag1 Ag2 C1 -131.8(3) . . . . ? O4 Ag1 Ag2 C1 114.1(6) 2_765 . . . ? O6 Ag1 Ag2 C1 140.7(3) . . . . ? Ag3 Ag1 Ag2 C1 -61.8(2) . . . . ? Ag4 Ag1 Ag2 C1 57.3(2) . . . . ? C1 Ag1 Ag2 O7 -145.2(3) . . . . ? O9 Ag1 Ag2 O7 83.0(3) . . . . ? O4 Ag1 Ag2 O7 -31.1(6) 2_765 . . . ? O6 Ag1 Ag2 O7 -4.6(3) . . . . ? Ag3 Ag1 Ag2 O7 152.92(18) . . . . ? Ag4 Ag1 Ag2 O7 -87.95(18) . . . . ? C1 Ag1 Ag2 O3 119.5(3) . . . 2_665 ? O9 Ag1 Ag2 O3 -12.3(3) . . . 2_665 ? O4 Ag1 Ag2 O3 -126.4(6) 2_765 . . 2_665 ? O6 Ag1 Ag2 O3 -99.8(3) . . . 2_665 ? Ag3 Ag1 Ag2 O3 57.65(19) . . . 2_665 ? Ag4 Ag1 Ag2 O3 176.78(19) . . . 2_665 ? C1 Ag1 Ag2 C2 -124.4(6) . . . 2_665 ? O9 Ag1 Ag2 C2 103.9(5) . . . 2_665 ? O4 Ag1 Ag2 C2 -10.2(7) 2_765 . . 2_665 ? O6 Ag1 Ag2 C2 16.3(6) . . . 2_665 ? Ag3 Ag1 Ag2 C2 173.8(5) . . . 2_665 ? Ag4 Ag1 Ag2 C2 -67.1(5) . . . 2_665 ? C1 Ag1 Ag2 C1 -44.2(6) . . . 2_665 ? O9 Ag1 Ag2 C1 -176.0(4) . . . 2_665 ? O4 Ag1 Ag2 C1 69.9(7) 2_765 . . 2_665 ? O6 Ag1 Ag2 C1 96.5(4) . . . 2_665 ? Ag3 Ag1 Ag2 C1 -106.1(4) . . . 2_665 ? Ag4 Ag1 Ag2 C1 13.1(4) . . . 2_665 ? C1 Ag1 Ag2 Ag2 -16.0(2) . . . 2_665 ? O9 Ag1 Ag2 Ag2 -147.80(18) . . . 2_665 ? O4 Ag1 Ag2 Ag2 98.1(5) 2_765 . . 2_665 ? O6 Ag1 Ag2 Ag2 124.7(2) . . . 2_665 ? Ag3 Ag1 Ag2 Ag2 -77.87(4) . . . 2_665 ? Ag4 Ag1 Ag2 Ag2 41.26(4) . . . 2_665 ? C1 Ag1 Ag2 Ag3 61.8(2) . . . . ? O9 Ag1 Ag2 Ag3 -69.92(18) . . . . ? O4 Ag1 Ag2 Ag3 176.0(5) 2_765 . . . ? O6 Ag1 Ag2 Ag3 -157.5(2) . . . . ? Ag4 Ag1 Ag2 Ag3 119.13(3) . . . . ? C1 Ag1 Ag2 Ag4 -57.3(2) . . . . ? O9 Ag1 Ag2 Ag4 170.95(18) . . . . ? O4 Ag1 Ag2 Ag4 56.8(5) 2_765 . . . ? O6 Ag1 Ag2 Ag4 83.4(2) . . . . ? Ag3 Ag1 Ag2 Ag4 -119.13(3) . . . . ? C1 Ag1 Ag2 Ag4 56.6(3) . . . 2_665 ? O9 Ag1 Ag2 Ag4 -75.14(19) . . . 2_665 ? O4 Ag1 Ag2 Ag4 170.8(5) 2_765 . . 2_665 ? O6 Ag1 Ag2 Ag4 -162.7(2) . . . 2_665 ? Ag3 Ag1 Ag2 Ag4 -5.21(5) . . . 2_665 ? Ag4 Ag1 Ag2 Ag4 113.92(5) . . . 2_665 ? C1 Ag1 Ag3 O5 -61.9(7) . . . 2_665 ? O9 Ag1 Ag3 O5 110.1(7) . . . 2_665 ? O4 Ag1 Ag3 O5 -178.7(7) 2_765 . . 2_665 ? O6 Ag1 Ag3 O5 35.1(7) . . . 2_665 ? Ag2 Ag1 Ag3 O5 -0.7(7) . . . 2_665 ? Ag4 Ag1 Ag3 O5 -55.2(7) . . . 2_665 ? C1 Ag1 Ag3 O8 168.1(3) . . . . ? O9 Ag1 Ag3 O8 -19.9(3) . . . . ? O4 Ag1 Ag3 O8 51.3(3) 2_765 . . . ? O6 Ag1 Ag3 O8 -94.9(4) . . . . ? Ag2 Ag1 Ag3 O8 -130.67(18) . . . . ? Ag4 Ag1 Ag3 O8 174.81(18) . . . . ? O9 Ag1 Ag3 C1 172.0(3) . . . . ? O4 Ag1 Ag3 C1 -116.8(3) 2_765 . . . ? O6 Ag1 Ag3 C1 97.0(4) . . . . ? Ag2 Ag1 Ag3 C1 61.2(2) . . . . ? Ag4 Ag1 Ag3 C1 6.7(2) . . . . ? C1 Ag1 Ag3 N2 76.3(3) . . . . ? O9 Ag1 Ag3 N2 -111.7(3) . . . . ? O4 Ag1 Ag3 N2 -40.5(3) 2_765 . . . ? O6 Ag1 Ag3 N2 173.3(4) . . . . ? Ag2 Ag1 Ag3 N2 137.5(2) . . . . ? Ag4 Ag1 Ag3 N2 83.0(2) . . . . ? C1 Ag1 Ag3 Ag2 -61.2(2) . . . . ? O9 Ag1 Ag3 Ag2 110.78(19) . . . . ? O4 Ag1 Ag3 Ag2 -178.0(3) 2_765 . . . ? O6 Ag1 Ag3 Ag2 35.8(3) . . . . ? Ag4 Ag1 Ag3 Ag2 -54.52(3) . . . . ? C1 Ag2 Ag3 O5 -118.2(4) . . . 2_665 ? O7 Ag2 Ag3 O5 140.1(4) . . . 2_665 ? O3 Ag2 Ag3 O5 70.0(4) 2_665 . . 2_665 ? C2 Ag2 Ag3 O5 2.4(4) 2_665 . . 2_665 ? C1 Ag2 Ag3 O5 -27.0(4) 2_665 . . 2_665 ? Ag1 Ag2 Ag3 O5 179.6(3) . . . 2_665 ? Ag2 Ag2 Ag3 O5 -66.0(3) 2_665 . . 2_665 ? Ag4 Ag2 Ag3 O5 -130.7(3) . . . 2_665 ? Ag4 Ag2 Ag3 O5 -3.5(3) 2_665 . . 2_665 ? C1 Ag2 Ag3 O8 119.2(3) . . . . ? O7 Ag2 Ag3 O8 17.4(3) . . . . ? O3 Ag2 Ag3 O8 -52.6(3) 2_665 . . . ? C2 Ag2 Ag3 O8 -120.2(3) 2_665 . . . ? C1 Ag2 Ag3 O8 -149.6(3) 2_665 . . . ? Ag1 Ag2 Ag3 O8 57.0(2) . . . . ? Ag2 Ag2 Ag3 O8 171.4(2) 2_665 . . . ? Ag4 Ag2 Ag3 O8 106.7(2) . . . . ? Ag4 Ag2 Ag3 O8 -126.1(2) 2_665 . . . ? O7 Ag2 Ag3 C1 -101.8(3) . . . . ? O3 Ag2 Ag3 C1 -171.8(3) 2_665 . . . ? C2 Ag2 Ag3 C1 120.6(3) 2_665 . . . ? C1 Ag2 Ag3 C1 91.2(3) 2_665 . . . ? Ag1 Ag2 Ag3 C1 -62.2(2) . . . . ? Ag2 Ag2 Ag3 C1 52.2(2) 2_665 . . . ? Ag4 Ag2 Ag3 C1 -12.5(2) . . . . ? Ag4 Ag2 Ag3 C1 114.7(2) 2_665 . . . ? C1 Ag2 Ag3 N2 -15.3(4) . . . . ? O7 Ag2 Ag3 N2 -117.0(4) . . . . ? O3 Ag2 Ag3 N2 173.0(4) 2_665 . . . ? C2 Ag2 Ag3 N2 105.4(4) 2_665 . . . ? C1 Ag2 Ag3 N2 75.9(4) 2_665 . . . ? Ag1 Ag2 Ag3 N2 -77.4(3) . . . . ? Ag2 Ag2 Ag3 N2 37.0(3) 2_665 . . . ? Ag4 Ag2 Ag3 N2 -27.7(3) . . . . ? Ag4 Ag2 Ag3 N2 99.5(3) 2_665 . . . ? C1 Ag2 Ag3 Ag1 62.2(2) . . . . ? O7 Ag2 Ag3 Ag1 -39.6(2) . . . . ? O3 Ag2 Ag3 Ag1 -109.6(2) 2_665 . . . ? C2 Ag2 Ag3 Ag1 -177.2(2) 2_665 . . . ? C1 Ag2 Ag3 Ag1 153.36(18) 2_665 . . . ? Ag2 Ag2 Ag3 Ag1 114.40(4) 2_665 . . . ? Ag4 Ag2 Ag3 Ag1 49.71(2) . . . . ? Ag4 Ag2 Ag3 Ag1 176.92(3) 2_665 . . . ? O9 Ag1 Ag4 C1 -98.5(7) . . . . ? O4 Ag1 Ag4 C1 136.7(3) 2_765 . . . ? O6 Ag1 Ag4 C1 -145.9(3) . . . . ? Ag2 Ag1 Ag4 C1 -60.4(2) . . . . ? Ag3 Ag1 Ag4 C1 -7.0(2) . . . . ? C1 Ag1 Ag4 O4 150.7(3) . . . . ? O9 Ag1 Ag4 O4 52.2(7) . . . . ? O4 Ag1 Ag4 O4 -72.6(3) 2_765 . . . ? O6 Ag1 Ag4 O4 4.9(2) . . . . ? Ag2 Ag1 Ag4 O4 90.35(18) . . . . ? Ag3 Ag1 Ag4 O4 143.76(18) . . . . ? C1 Ag1 Ag4 O2 -55.6(5) . . . . ? O9 Ag1 Ag4 O2 -154.1(8) . . . . ? O4 Ag1 Ag4 O2 81.1(5) 2_765 . . . ? O6 Ag1 Ag4 O2 158.6(5) . . . . ? Ag2 Ag1 Ag4 O2 -115.9(4) . . . . ? Ag3 Ag1 Ag4 O2 -62.5(4) . . . . ? C1 Ag1 Ag4 O6 -132.6(3) . . . 2_765 ? O9 Ag1 Ag4 O6 128.9(7) . . . 2_765 ? O4 Ag1 Ag4 O6 4.1(2) 2_765 . . 2_765 ? O6 Ag1 Ag4 O6 81.5(2) . . . 2_765 ? Ag2 Ag1 Ag4 O6 167.00(14) . . . 2_765 ? Ag3 Ag1 Ag4 O6 -139.60(14) . . . 2_765 ? C1 Ag1 Ag4 C2 -17.9(3) . . . . ? O9 Ag1 Ag4 C2 -116.4(7) . . . . ? O4 Ag1 Ag4 C2 118.8(2) 2_765 . . . ? O6 Ag1 Ag4 C2 -163.8(2) . . . . ? Ag2 Ag1 Ag4 C2 -78.27(16) . . . . ? Ag3 Ag1 Ag4 C2 -24.87(16) . . . . ? C1 Ag1 Ag4 Ag2 60.4(2) . . . . ? O9 Ag1 Ag4 Ag2 -38.1(7) . . . . ? O4 Ag1 Ag4 Ag2 -162.94(17) 2_765 . . . ? O6 Ag1 Ag4 Ag2 -85.48(16) . . . . ? Ag3 Ag1 Ag4 Ag2 53.40(3) . . . . ? C1 Ag1 Ag4 Ag2 27.5(2) . . . 2_665 ? O9 Ag1 Ag4 Ag2 -70.9(7) . . . 2_665 ? O4 Ag1 Ag4 Ag2 164.22(17) 2_765 . . 2_665 ? O6 Ag1 Ag4 Ag2 -118.31(16) . . . 2_665 ? Ag2 Ag1 Ag4 Ag2 -32.84(3) . . . 2_665 ? Ag3 Ag1 Ag4 Ag2 20.57(3) . . . 2_665 ? O7 Ag2 Ag4 C1 147.7(3) . . . . ? O3 Ag2 Ag4 C1 55.7(5) 2_665 . . . ? C2 Ag2 Ag4 C1 -135.1(3) 2_665 . . . ? C1 Ag2 Ag4 C1 -112.4(2) 2_665 . . . ? Ag1 Ag2 Ag4 C1 62.5(2) . . . . ? Ag2 Ag2 Ag4 C1 -74.7(2) 2_665 . . . ? Ag3 Ag2 Ag4 C1 13.1(2) . . . . ? Ag4 Ag2 Ag4 C1 -74.7(2) 2_665 . . . ? C1 Ag2 Ag4 O4 -166.1(3) . . . . ? O7 Ag2 Ag4 O4 -18.4(3) . . . . ? O3 Ag2 Ag4 O4 -110.4(4) 2_665 . . . ? C2 Ag2 Ag4 O4 58.8(3) 2_665 . . . ? C1 Ag2 Ag4 O4 81.5(2) 2_665 . . . ? Ag1 Ag2 Ag4 O4 -103.56(19) . . . . ? Ag2 Ag2 Ag4 O4 119.21(19) 2_665 . . . ? Ag3 Ag2 Ag4 O4 -152.99(19) . . . . ? Ag4 Ag2 Ag4 O4 119.21(19) 2_665 . . . ? C1 Ag2 Ag4 O2 84.8(4) . . . . ? O7 Ag2 Ag4 O2 -127.5(3) . . . . ? O3 Ag2 Ag4 O2 140.5(5) 2_665 . . . ? C2 Ag2 Ag4 O2 -50.2(3) 2_665 . . . ? C1 Ag2 Ag4 O2 -27.5(3) 2_665 . . . ? Ag1 Ag2 Ag4 O2 147.4(3) . . . . ? Ag2 Ag2 Ag4 O2 10.1(3) 2_665 . . . ? Ag3 Ag2 Ag4 O2 97.9(3) . . . . ? Ag4 Ag2 Ag4 O2 10.1(3) 2_665 . . . ? C1 Ag2 Ag4 O6 -81.8(3) . . . 2_765 ? O7 Ag2 Ag4 O6 65.9(3) . . . 2_765 ? O3 Ag2 Ag4 O6 -26.2(5) 2_665 . . 2_765 ? C2 Ag2 Ag4 O6 143.1(3) 2_665 . . 2_765 ? C1 Ag2 Ag4 O6 165.8(3) 2_665 . . 2_765 ? Ag1 Ag2 Ag4 O6 -19.3(2) . . . 2_765 ? Ag2 Ag2 Ag4 O6 -156.5(2) 2_665 . . 2_765 ? Ag3 Ag2 Ag4 O6 -68.7(2) . . . 2_765 ? Ag4 Ag2 Ag4 O6 -156.5(2) 2_665 . . 2_765 ? C1 Ag2 Ag4 C2 16.6(3) . . . . ? O7 Ag2 Ag4 C2 164.3(2) . . . . ? O3 Ag2 Ag4 C2 72.2(4) 2_665 . . . ? C2 Ag2 Ag4 C2 -118.50(19) 2_665 . . . ? C1 Ag2 Ag4 C2 -95.8(2) 2_665 . . . ? Ag1 Ag2 Ag4 C2 79.12(17) . . . . ? Ag2 Ag2 Ag4 C2 -58.12(17) 2_665 . . . ? Ag3 Ag2 Ag4 C2 29.68(17) . . . . ? Ag4 Ag2 Ag4 C2 -58.12(17) 2_665 . . . ? C1 Ag2 Ag4 Ag1 -62.5(2) . . . . ? O7 Ag2 Ag4 Ag1 85.14(16) . . . . ? O3 Ag2 Ag4 Ag1 -6.9(4) 2_665 . . . ? C2 Ag2 Ag4 Ag1 162.39(16) 2_665 . . . ? C1 Ag2 Ag4 Ag1 -174.93(15) 2_665 . . . ? Ag2 Ag2 Ag4 Ag1 -137.23(4) 2_665 . . . ? Ag3 Ag2 Ag4 Ag1 -49.43(2) . . . . ? Ag4 Ag2 Ag4 Ag1 -137.23(4) 2_665 . . . ? C1 Ag2 Ag4 Ag2 74.7(2) . . . 2_665 ? O7 Ag2 Ag4 Ag2 -137.63(17) . . . 2_665 ? O3 Ag2 Ag4 Ag2 130.3(4) 2_665 . . 2_665 ? C2 Ag2 Ag4 Ag2 -60.38(16) 2_665 . . 2_665 ? C1 Ag2 Ag4 Ag2 -37.69(15) 2_665 . . 2_665 ? Ag1 Ag2 Ag4 Ag2 137.23(4) . . . 2_665 ? Ag3 Ag2 Ag4 Ag2 87.80(3) . . . 2_665 ? Ag4 Ag2 Ag4 Ag2 0.0 2_665 . . 2_665 ? C1 Ag4 O2 C10 68.3(9) . . . . ? O4 Ag4 O2 C10 -94.7(8) . . . . ? O6 Ag4 O2 C10 -173.4(8) 2_765 . . . ? C2 Ag4 O2 C10 75.7(8) . . . . ? Ag1 Ag4 O2 C10 110.6(8) . . . . ? Ag2 Ag4 O2 C10 15.7(10) . . . . ? Ag2 Ag4 O2 C10 23.8(8) 2_665 . . . ? C1 Ag4 O2 Ag6 -138.5(3) . . . 2_765 ? O4 Ag4 O2 Ag6 58.5(3) . . . 2_765 ? O6 Ag4 O2 Ag6 -20.2(3) 2_765 . . 2_765 ? C2 Ag4 O2 Ag6 -131.1(3) . . . 2_765 ? Ag1 Ag4 O2 Ag6 -96.2(5) . . . 2_765 ? Ag2 Ag4 O2 Ag6 168.85(8) . . . 2_765 ? Ag2 Ag4 O2 Ag6 177.0(3) 2_665 . . 2_765 ? C1 Ag4 O4 C12 -95.2(8) . . . . ? O2 Ag4 O4 C12 57.9(7) . . . . ? O6 Ag4 O4 C12 145.6(7) 2_765 . . . ? C2 Ag4 O4 C12 -65.3(16) . . . . ? Ag1 Ag4 O4 C12 -133.4(7) . . . . ? Ag2 Ag4 O4 C12 -77.9(7) . . . . ? Ag2 Ag4 O4 C12 -25.5(8) 2_665 . . . ? C1 Ag4 O4 Ag1 110.7(4) . . . 2_765 ? O2 Ag4 O4 Ag1 -96.2(3) . . . 2_765 ? O6 Ag4 O4 Ag1 -8.5(3) 2_765 . . 2_765 ? C2 Ag4 O4 Ag1 140.7(11) . . . 2_765 ? Ag1 Ag4 O4 Ag1 72.5(3) . . . 2_765 ? Ag2 Ag4 O4 Ag1 128.0(2) . . . 2_765 ? Ag2 Ag4 O4 Ag1 -179.57(13) 2_665 . . 2_765 ? C1 Ag1 O6 C14 41.0(9) . . . . ? O9 Ag1 O6 C14 -98.2(8) . . . . ? O4 Ag1 O6 C14 176.0(8) 2_765 . . . ? Ag2 Ag1 O6 C14 4.9(7) . . . . ? Ag3 Ag1 O6 C14 -27.1(9) . . . . ? Ag4 Ag1 O6 C14 71.3(7) . . . . ? C1 Ag1 O6 Ag4 -126.9(3) . . . 2_765 ? O9 Ag1 O6 Ag4 93.9(3) . . . 2_765 ? O4 Ag1 O6 Ag4 8.1(3) 2_765 . . 2_765 ? Ag2 Ag1 O6 Ag4 -163.0(2) . . . 2_765 ? Ag3 Ag1 O6 Ag4 165.03(6) . . . 2_765 ? Ag4 Ag1 O6 Ag4 -96.6(2) . . . 2_765 ? C1 Ag2 O7 C14 -24.4(9) . . . . ? O3 Ag2 O7 C14 99.3(8) 2_665 . . . ? C2 Ag2 O7 C14 -165.8(8) 2_665 . . . ? C1 Ag2 O7 C14 -149.4(8) 2_665 . . . ? Ag1 Ag2 O7 C14 7.8(7) . . . . ? Ag2 Ag2 O7 C14 -104.2(7) 2_665 . . . ? Ag3 Ag2 O7 C14 41.5(9) . . . . ? Ag4 Ag2 O7 C14 -52.7(7) . . . . ? Ag4 Ag2 O7 C14 171.3(7) 2_665 . . . ? O5 Ag3 O8 C16 -127.0(8) 2_665 . . . ? C1 Ag3 O8 C16 37.8(9) . . . . ? N2 Ag3 O8 C16 133.1(8) . . . . ? Ag1 Ag3 O8 C16 26.4(7) . . . . ? Ag2 Ag3 O8 C16 -18.6(8) . . . . ? C1 Ag1 O9 C16 35.2(9) . . . . ? O4 Ag1 O9 C16 -112.0(8) 2_765 . . . ? O6 Ag1 O9 C16 168.0(8) . . . . ? Ag2 Ag1 O9 C16 86.3(8) . . . . ? Ag3 Ag1 O9 C16 26.9(8) . . . . ? Ag4 Ag1 O9 C16 121.5(8) . . . . ? C1 Ag1 O9 Ag6 -142.2(3) . . . . ? O4 Ag1 O9 Ag6 70.6(3) 2_765 . . . ? O6 Ag1 O9 Ag6 -9.4(3) . . . . ? Ag2 Ag1 O9 Ag6 -91.2(2) . . . . ? Ag3 Ag1 O9 Ag6 -150.6(3) . . . . ? Ag4 Ag1 O9 Ag6 -56.0(8) . . . . ? O2 Ag6 O9 C16 122.8(10) 2_765 . . . ? Ag6 Ag6 O9 C16 -43.1(11) 2_775 . . . ? O2 Ag6 O9 Ag1 -60.4(4) 2_765 . . . ? Ag6 Ag6 O9 Ag1 133.7(2) 2_775 . . . ? C9 N1 N2 N3 -0.5(11) . . . . ? Ag5 N1 N2 N3 -171.6(6) . . . . ? C9 N1 N2 Ag3 -134.9(6) . . . . ? Ag5 N1 N2 Ag3 54.0(8) . . . . ? O5 Ag3 N2 N1 -127.4(8) 2_665 . . . ? O8 Ag3 N2 N1 -9.0(7) . . . . ? C1 Ag3 N2 N1 120.0(7) . . . . ? Ag1 Ag3 N2 N1 73.0(6) . . . . ? Ag2 Ag3 N2 N1 131.3(6) . . . . ? O5 Ag3 N2 N3 106.1(9) 2_665 . . . ? O8 Ag3 N2 N3 -135.5(8) . . . . ? C1 Ag3 N2 N3 -6.6(8) . . . . ? Ag1 Ag3 N2 N3 -53.6(8) . . . . ? Ag2 Ag3 N2 N3 4.7(10) . . . . ? N1 N2 N3 C4 0.7(11) . . . . ? Ag3 N2 N3 C4 129.0(7) . . . . ? N1 N2 N3 O1 172.2(8) . . . . ? Ag3 N2 N3 O1 -59.5(10) . . . . ? C3 O1 N3 N2 104.9(9) . . . . ? C3 O1 N3 C4 -85.0(10) . . . . ? O9 Ag1 C1 C2 -111.0(10) . . . . ? O4 Ag1 C1 C2 21.2(12) 2_765 . . . ? O6 Ag1 C1 C2 128.4(10) . . . . ? Ag2 Ag1 C1 C2 175.8(11) . . . . ? Ag3 Ag1 C1 C2 -100.7(10) . . . . ? Ag4 Ag1 C1 C2 87.8(10) . . . . ? O9 Ag1 C1 Ag2 73.2(3) . . . . ? O4 Ag1 C1 Ag2 -154.6(3) 2_765 . . . ? O6 Ag1 C1 Ag2 -47.4(3) . . . . ? Ag3 Ag1 C1 Ag2 83.48(19) . . . . ? Ag4 Ag1 C1 Ag2 -88.0(2) . . . . ? O9 Ag1 C1 Ag4 161.1(3) . . . . ? O4 Ag1 C1 Ag4 -66.7(4) 2_765 . . . ? O6 Ag1 C1 Ag4 40.5(3) . . . . ? Ag2 Ag1 C1 Ag4 88.0(2) . . . . ? Ag3 Ag1 C1 Ag4 171.4(3) . . . . ? O9 Ag1 C1 Ag3 -10.3(4) . . . . ? O4 Ag1 C1 Ag3 121.9(3) 2_765 . . . ? O6 Ag1 C1 Ag3 -130.9(2) . . . . ? Ag2 Ag1 C1 Ag3 -83.48(19) . . . . ? Ag4 Ag1 C1 Ag3 -171.4(3) . . . . ? O9 Ag1 C1 Ag2 98.9(6) . . . 2_665 ? O4 Ag1 C1 Ag2 -128.9(5) 2_765 . . 2_665 ? O6 Ag1 C1 Ag2 -21.7(6) . . . 2_665 ? Ag2 Ag1 C1 Ag2 25.8(4) . . . 2_665 ? Ag3 Ag1 C1 Ag2 109.2(6) . . . 2_665 ? Ag4 Ag1 C1 Ag2 -62.2(5) . . . 2_665 ? O7 Ag2 C1 C2 -132.4(10) . . . . ? O3 Ag2 C1 C2 112.5(11) 2_665 . . . ? C2 Ag2 C1 C2 -17.3(14) 2_665 . . . ? C1 Ag2 C1 C2 -12.4(10) 2_665 . . . ? Ag1 Ag2 C1 C2 -175.5(12) . . . . ? Ag2 Ag2 C1 C2 -12.4(10) 2_665 . . . ? Ag3 Ag2 C1 C2 104.5(11) . . . . ? Ag4 Ag2 C1 C2 -92.5(11) . . . . ? Ag4 Ag2 C1 C2 35.2(11) 2_665 . . . ? O7 Ag2 C1 Ag1 43.0(3) . . . . ? O3 Ag2 C1 Ag1 -72.0(3) 2_665 . . . ? C2 Ag2 C1 Ag1 158.2(3) 2_665 . . . ? C1 Ag2 C1 Ag1 163.1(3) 2_665 . . . ? Ag2 Ag2 C1 Ag1 163.1(3) 2_665 . . . ? Ag3 Ag2 C1 Ag1 -80.1(2) . . . . ? Ag4 Ag2 C1 Ag1 83.0(2) . . . . ? Ag4 Ag2 C1 Ag1 -149.38(12) 2_665 . . . ? O7 Ag2 C1 Ag4 -39.9(4) . . . . ? O3 Ag2 C1 Ag4 -155.0(2) 2_665 . . . ? C2 Ag2 C1 Ag4 75.2(4) 2_665 . . . ? C1 Ag2 C1 Ag4 80.13(18) 2_665 . . . ? Ag1 Ag2 C1 Ag4 -83.0(2) . . . . ? Ag2 Ag2 C1 Ag4 80.13(18) 2_665 . . . ? Ag3 Ag2 C1 Ag4 -163.1(3) . . . . ? Ag4 Ag2 C1 Ag4 127.64(14) 2_665 . . . ? O7 Ag2 C1 Ag3 123.1(3) . . . . ? O3 Ag2 C1 Ag3 8.1(3) 2_665 . . . ? C2 Ag2 C1 Ag3 -121.7(3) 2_665 . . . ? C1 Ag2 C1 Ag3 -116.8(2) 2_665 . . . ? Ag1 Ag2 C1 Ag3 80.1(2) . . . . ? Ag2 Ag2 C1 Ag3 -116.8(2) 2_665 . . . ? Ag4 Ag2 C1 Ag3 163.1(3) . . . . ? Ag4 Ag2 C1 Ag3 -69.30(17) 2_665 . . . ? O7 Ag2 C1 Ag2 -120.1(2) . . . 2_665 ? O3 Ag2 C1 Ag2 124.9(2) 2_665 . . 2_665 ? C2 Ag2 C1 Ag2 -4.9(4) 2_665 . . 2_665 ? C1 Ag2 C1 Ag2 0.0 2_665 . . 2_665 ? Ag1 Ag2 C1 Ag2 -163.1(3) . . . 2_665 ? Ag3 Ag2 C1 Ag2 116.8(2) . . . 2_665 ? Ag4 Ag2 C1 Ag2 -80.13(18) . . . 2_665 ? Ag4 Ag2 C1 Ag2 47.51(14) 2_665 . . 2_665 ? O4 Ag4 C1 C2 167.1(5) . . . . ? O2 Ag4 C1 C2 16.8(6) . . . . ? O6 Ag4 C1 C2 -85.1(5) 2_765 . . . ? Ag1 Ag4 C1 C2 -139.7(6) . . . . ? Ag2 Ag4 C1 C2 143.2(6) . . . . ? Ag2 Ag4 C1 C2 74.4(5) 2_665 . . . ? O4 Ag4 C1 Ag1 -53.3(5) . . . . ? O2 Ag4 C1 Ag1 156.4(2) . . . . ? O6 Ag4 C1 Ag1 54.5(3) 2_765 . . . ? C2 Ag4 C1 Ag1 139.7(6) . . . . ? Ag2 Ag4 C1 Ag1 -77.14(18) . . . . ? Ag2 Ag4 C1 Ag1 -146.0(2) 2_665 . . . ? O4 Ag4 C1 Ag2 23.9(5) . . . . ? O2 Ag4 C1 Ag2 -126.4(2) . . . . ? O6 Ag4 C1 Ag2 131.7(2) 2_765 . . . ? C2 Ag4 C1 Ag2 -143.2(6) . . . . ? Ag1 Ag4 C1 Ag2 77.14(18) . . . . ? Ag2 Ag4 C1 Ag2 -68.82(18) 2_665 . . . ? O4 Ag4 C1 Ag3 -29.3(12) . . . . ? O2 Ag4 C1 Ag3 -179.6(9) . . . . ? O6 Ag4 C1 Ag3 78.5(10) 2_765 . . . ? C2 Ag4 C1 Ag3 163.6(14) . . . . ? Ag1 Ag4 C1 Ag3 23.9(8) . . . . ? Ag2 Ag4 C1 Ag3 -53.2(8) . . . . ? Ag2 Ag4 C1 Ag3 -122.0(10) 2_665 . . . ? O4 Ag4 C1 Ag2 92.7(4) . . . 2_665 ? O2 Ag4 C1 Ag2 -57.6(3) . . . 2_665 ? O6 Ag4 C1 Ag2 -159.51(19) 2_765 . . 2_665 ? C2 Ag4 C1 Ag2 -74.4(5) . . . 2_665 ? Ag1 Ag4 C1 Ag2 146.0(3) . . . 2_665 ? Ag2 Ag4 C1 Ag2 68.82(18) . . . 2_665 ? O5 Ag3 C1 C2 -70.8(6) 2_665 . . . ? O8 Ag3 C1 C2 123.6(6) . . . . ? N2 Ag3 C1 C2 26.9(6) . . . . ? Ag1 Ag3 C1 C2 138.8(6) . . . . ? Ag2 Ag3 C1 C2 -143.0(7) . . . . ? O5 Ag3 C1 Ag1 150.4(3) 2_665 . . . ? O8 Ag3 C1 Ag1 -15.1(4) . . . . ? N2 Ag3 C1 Ag1 -111.8(3) . . . . ? Ag2 Ag3 C1 Ag1 78.21(17) . . . . ? O5 Ag3 C1 Ag2 72.2(4) 2_665 . . . ? O8 Ag3 C1 Ag2 -93.3(3) . . . . ? N2 Ag3 C1 Ag2 170.0(3) . . . . ? Ag1 Ag3 C1 Ag2 -78.21(17) . . . . ? O5 Ag3 C1 Ag4 126.2(10) 2_665 . . . ? O8 Ag3 C1 Ag4 -39.3(11) . . . . ? N2 Ag3 C1 Ag4 -136.0(10) . . . . ? Ag1 Ag3 C1 Ag4 -24.2(8) . . . . ? Ag2 Ag3 C1 Ag4 54.0(9) . . . . ? O5 Ag3 C1 Ag2 9.4(4) 2_665 . . 2_665 ? O8 Ag3 C1 Ag2 -156.1(2) . . . 2_665 ? N2 Ag3 C1 Ag2 107.2(3) . . . 2_665 ? Ag1 Ag3 C1 Ag2 -141.0(3) . . . 2_665 ? Ag2 Ag3 C1 Ag2 -62.8(2) . . . 2_665 ? Ag1 C1 C2 Ag2 -161.3(9) . . . 2_665 ? Ag2 C1 C2 Ag2 11.9(10) . . . 2_665 ? Ag4 C1 C2 Ag2 -77.9(2) . . . 2_665 ? Ag3 C1 C2 Ag2 108.2(3) . . . 2_665 ? Ag1 C1 C2 Ag4 -83.4(9) . . . . ? Ag2 C1 C2 Ag4 89.8(10) . . . . ? Ag3 C1 C2 Ag4 -173.9(5) . . . . ? Ag2 C1 C2 Ag4 77.9(2) 2_665 . . . ? O4 Ag4 C2 C1 -41.1(15) . . . . ? O2 Ag4 C2 C1 -164.8(5) . . . . ? O6 Ag4 C2 C1 106.3(5) 2_765 . . . ? Ag1 Ag4 C2 C1 30.8(5) . . . . ? Ag2 Ag4 C2 C1 -27.7(5) . . . . ? Ag2 Ag4 C2 C1 -85.9(5) 2_665 . . . ? C1 Ag4 C2 C3 -171.2(9) . . . . ? O4 Ag4 C2 C3 147.7(11) . . . . ? O2 Ag4 C2 C3 24.0(6) . . . . ? O6 Ag4 C2 C3 -64.9(7) 2_765 . . . ? Ag1 Ag4 C2 C3 -140.4(6) . . . . ? Ag2 Ag4 C2 C3 161.1(7) . . . . ? Ag2 Ag4 C2 C3 102.9(6) 2_665 . . . ? C1 Ag4 C2 Ag2 85.9(5) . . . 2_665 ? O4 Ag4 C2 Ag2 44.9(13) . . . 2_665 ? O2 Ag4 C2 Ag2 -78.9(2) . . . 2_665 ? O6 Ag4 C2 Ag2 -167.8(2) 2_765 . . 2_665 ? Ag1 Ag4 C2 Ag2 116.70(15) . . . 2_665 ? Ag2 Ag4 C2 Ag2 58.23(10) . . . 2_665 ? N3 O1 C3 C2 -61.0(9) . . . . ? Ag2 C2 C3 O1 -110.4(6) 2_665 . . . ? Ag4 C2 C3 O1 166.8(5) . . . . ? N2 N3 C4 C9 -0.6(10) . . . . ? O1 N3 C4 C9 -171.2(8) . . . . ? N2 N3 C4 C5 178.4(10) . . . . ? O1 N3 C4 C5 7.9(16) . . . . ? N3 C4 C5 C6 179.9(10) . . . . ? C9 C4 C5 C6 -1.3(14) . . . . ? C4 C5 C6 C7 1.3(15) . . . . ? C5 C6 C7 C8 -1.5(19) . . . . ? C6 C7 C8 C9 1.4(19) . . . . ? N3 C4 C9 N1 0.3(10) . . . . ? C5 C4 C9 N1 -178.9(8) . . . . ? N3 C4 C9 C8 -179.5(9) . . . . ? C5 C4 C9 C8 1.3(15) . . . . ? N2 N1 C9 C4 0.1(11) . . . . ? Ag5 N1 C9 C4 169.4(7) . . . . ? N2 N1 C9 C8 179.9(11) . . . . ? Ag5 N1 C9 C8 -10.8(17) . . . . ? C7 C8 C9 C4 -1.3(16) . . . . ? C7 C8 C9 N1 178.9(11) . . . . ? Ag2 O3 C10 O2 -1.8(18) 2_665 . . . ? Ag2 O3 C10 C11 -179.0(7) 2_665 . . . ? Ag4 O2 C10 O3 -22.2(15) . . . . ? Ag6 O2 C10 O3 -165.1(8) 2_765 . . . ? Ag4 O2 C10 C11 155.1(7) . . . . ? Ag6 O2 C10 C11 12.1(14) 2_765 . . . ? O3 C10 C11 F2' 49.4(14) . . . . ? O2 C10 C11 F2' -128.2(12) . . . . ? O3 C10 C11 F1' 168.8(11) . . . . ? O2 C10 C11 F1' -8.8(15) . . . . ? O3 C10 C11 F3' -70.8(12) . . . . ? O2 C10 C11 F3' 111.6(12) . . . . ? O3 C10 C11 F3 -11.5(15) . . . . ? O2 C10 C11 F3 170.8(12) . . . . ? O3 C10 C11 F2 109.1(12) . . . . ? O2 C10 C11 F2 -68.5(14) . . . . ? O3 C10 C11 F1 -130.0(11) . . . . ? O2 C10 C11 F1 52.4(14) . . . . ? Ag3 O5 C12 O4 105(3) 2_665 . . . ? Ag3 O5 C12 C13 -76(4) 2_665 . . . ? Ag3 O5 C12 F4' -131(9) 2_665 . . . ? Ag4 O4 C12 O5 5.1(15) . . . . ? Ag1 O4 C12 O5 144.5(11) 2_765 . . . ? Ag4 O4 C12 C13 -173.9(8) . . . . ? Ag1 O4 C12 C13 -34.4(15) 2_765 . . . ? Ag4 O4 C12 F4' -133(5) . . . . ? Ag1 O4 C12 F4' 6(5) 2_765 . . . ? O5 C12 C13 F4 -58.2(19) . . . . ? O4 C12 C13 F4 120.9(18) . . . . ? F4' C12 C13 F4 57.7(11) . . . . ? O5 C12 C13 F5 -171.5(13) . . . . ? O4 C12 C13 F5 7.6(17) . . . . ? F4' C12 C13 F5 -55.6(11) . . . . ? O5 C12 C13 F6 69.4(17) . . . . ? O4 C12 C13 F6 -111.6(14) . . . . ? F4' C12 C13 F6 -174.7(17) . . . . ? O5 C12 C13 F6' 5.8(15) . . . . ? O4 C12 C13 F6' -175.1(13) . . . . ? F4' C12 C13 F6' 121.7(10) . . . . ? O5 C12 C13 F5' 129.2(13) . . . . ? O4 C12 C13 F5' -51.8(12) . . . . ? F4' C12 C13 F5' -114.9(12) . . . . ? O5 C12 C13 F4' -115.9(15) . . . . ? O4 C12 C13 F4' 63.1(14) . . . . ? Ag2 O7 C14 O6 -6.5(15) . . . . ? Ag2 O7 C14 C15 175.3(5) . . . . ? Ag1 O6 C14 O7 -0.5(14) . . . . ? Ag4 O6 C14 O7 160.5(7) 2_765 . . . ? Ag1 O6 C14 C15 177.7(5) . . . . ? Ag4 O6 C14 C15 -21.3(14) 2_765 . . . ? O7 C14 C15 F7' -56.9(11) . . . . ? O6 C14 C15 F7' 124.6(9) . . . . ? O7 C14 C15 F9' 63.0(11) . . . . ? O6 C14 C15 F9' -115.5(9) . . . . ? O7 C14 C15 F8' -177.7(9) . . . . ? O6 C14 C15 F8' 3.9(12) . . . . ? O7 C14 C15 F7 3.2(12) . . . . ? O6 C14 C15 F7 -175.3(9) . . . . ? O7 C14 C15 F8 -117.6(9) . . . . ? O6 C14 C15 F8 64.0(11) . . . . ? O7 C14 C15 F9 122.9(9) . . . . ? O6 C14 C15 F9 -55.5(10) . . . . ? Ag1 O9 C16 O8 -16.1(16) . . . . ? Ag6 O9 C16 O8 160.4(8) . . . . ? Ag1 O9 C16 C17 162.7(6) . . . . ? Ag6 O9 C16 C17 -20.8(15) . . . . ? Ag3 O8 C16 O9 -13.8(16) . . . . ? Ag3 O8 C16 C17 167.5(6) . . . . ? O9 C16 C17 F11' 157.1(12) . . . . ? O8 C16 C17 F11' -23.9(14) . . . . ? O9 C16 C17 F12' 36.4(13) . . . . ? O8 C16 C17 F12' -144.6(12) . . . . ? O9 C16 C17 F10' -82.8(12) . . . . ? O8 C16 C17 F10' 96.1(12) . . . . ? O9 C16 C17 F10 -24.2(15) . . . . ? O8 C16 C17 F10 154.8(12) . . . . ? O9 C16 C17 F12 96.4(15) . . . . ? O8 C16 C17 F12 -84.6(15) . . . . ? O9 C16 C17 F11 -141.5(13) . . . . ? O8 C16 C17 F11 37.5(15) . . . . ? F4 C13 F4' C12 -117(3) . . . . ? F5 C13 F4' C12 123(3) . . . . ? F6 C13 F4' C12 158(14) . . . . ? F6' C13 F4' C12 -90(16) . . . . ? F5' C13 F4' C12 82(11) . . . . ? O5 C12 F4' C13 95(5) . . . . ? O4 C12 F4' C13 -127.8(12) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 2.421 _refine_diff_density_min -1.369 _refine_diff_density_rms 0.158 _database_code_depnum_ccdc_archive 'CCDC 913997' ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_3 #TrackingRef '2.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C17 H8 Ag5 F12 N3 O10' _chemical_formula_weight 1181.61 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' N N 0.0061 0.0033 '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' Ag Ag -0.8971 1.1015 '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 2/c' _symmetry_space_group_name_Hall '-P 2yc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' _cell_length_a 16.0991(16) _cell_length_b 8.8039(10) _cell_length_c 23.399(3) _cell_angle_alpha 90.00 _cell_angle_beta 120.917(7) _cell_angle_gamma 90.00 _cell_volume 2845.2(6) _cell_formula_units_Z 4 _cell_measurement_temperature 296 _cell_measurement_reflns_used 1436 _cell_measurement_theta_min 2.9218 _cell_measurement_theta_max 29.2375 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.18 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.758 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2216 _exptl_absorpt_coefficient_mu 3.515 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5399 _exptl_absorpt_correction_T_max 0.5703 _exptl_absorpt_process_details SADABS(2009) _exptl_special_details ; ? ; _diffrn_ambient_temperature 296 _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_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 11773 _diffrn_reflns_av_R_equivalents 0.0542 _diffrn_reflns_av_sigmaI/netI 0.0891 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 2.95 _diffrn_reflns_theta_max 25.00 _reflns_number_total 5006 _reflns_number_gt 2797 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.0483P)^2^+41.6029P] 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 5006 _refine_ls_number_parameters 463 _refine_ls_number_restraints 50 _refine_ls_R_factor_all 0.1510 _refine_ls_R_factor_gt 0.0884 _refine_ls_wR_factor_ref 0.1955 _refine_ls_wR_factor_gt 0.1675 _refine_ls_goodness_of_fit_ref 1.006 _refine_ls_restrained_S_all 1.001 _refine_ls_shift/su_max 0.000 _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 Ag1 Ag 0.49299(9) 0.08486(17) 0.94305(7) 0.0820(5) Uani 1 1 d . . . Ag2 Ag 0.37525(10) 0.33683(18) 0.92087(7) 0.0906(5) Uani 1 1 d . . . Ag3 Ag 1.0000 -0.0003(3) 1.2500 0.0970(8) Uani 1 2 d S . . Ag6 Ag 0.3828(4) 0.5296(7) 0.7877(3) 0.192(2) Uani 0.50 1 d P . . N1 N 0.8623(11) -0.026(2) 1.0421(7) 0.077(4) Uani 1 1 d . . . N2 N 0.8795(9) -0.0616(18) 1.1027(7) 0.076(4) Uani 1 1 d . . . N3 N 0.9536(10) 0.0189(19) 1.1455(7) 0.078(4) Uani 1 1 d . . . O1 O 0.7970(8) -0.1054(15) 0.9880(5) 0.086(4) Uani 1 1 d . . . O2 O 0.4374(14) 0.018(2) 0.8332(8) 0.147(7) Uani 1 1 d . . . O1W O 0.4614(13) 0.304(2) 0.7763(7) 0.194(9) Uani 1 1 d . . . H1WB H 0.4849 0.2528 0.8121 0.291 Uiso 1 1 d R . . H1WA H 0.4194 0.2511 0.7439 0.291 Uiso 1 1 d R . . O3 O 0.410(4) -0.226(7) 0.823(3) 0.140(12) Uani 0.481(5) 1 d P . 1 O7 O 0.230(3) 0.799(4) 0.866(2) 0.132(13) Uani 0.481(5) 1 d P . 1 Ag4 Ag 0.4586(4) 0.6994(5) 0.9503(3) 0.0579(8) Uani 0.481(5) 1 d P . 1 O3' O 0.367(4) -0.181(6) 0.837(2) 0.140(12) Uani 0.519(5) 1 d P . 2 O7' O 0.234(3) 0.779(4) 0.9099(19) 0.132(13) Uani 0.519(5) 1 d PD . 2 Ag4' Ag 0.4719(3) 0.7529(5) 0.9369(2) 0.0579(8) Uani 0.519(5) 1 d P . 2 O4 O 0.2828(10) 0.3220(17) 0.8042(6) 0.105(4) Uani 1 1 d . . . O5 O 0.1822(10) 0.1258(19) 0.7835(7) 0.105(5) Uani 1 1 d . . . O6 O 0.3287(8) 0.5912(15) 0.9145(7) 0.105(5) Uani 1 1 d . . . O8 O 0.5897(9) 0.2638(17) 0.9316(7) 0.102(4) Uani 1 1 d . . . O9 O 0.5098(9) 0.4701(14) 0.9263(6) 0.093(4) Uani 1 1 d . . . C1 C 0.6014(11) -0.139(2) 1.0098(8) 0.081(6) Uani 1 1 d D . . C2 C 0.6498(12) -0.0876(19) 0.9886(7) 0.075(6) Uani 1 1 d D . . C3 C 0.7039(12) -0.033(2) 0.9581(8) 0.094(7) Uani 1 1 d . . . H3A H 0.6677 -0.0537 0.9107 0.113 Uiso 1 1 calc R . . H3B H 0.7125 0.0765 0.9640 0.113 Uiso 1 1 calc R . . C4 C 0.9265(14) 0.079(2) 1.0458(8) 0.078(6) Uani 1 1 d . . . C5 C 0.9843(14) 0.112(2) 1.1123(9) 0.075(5) Uani 1 1 d . . . C6 C 1.0619(15) 0.210(3) 1.1364(12) 0.099(7) Uani 1 1 d . . . H6 H 1.1031 0.2263 1.1818 0.118 Uiso 1 1 calc R . . C7 C 1.0747(19) 0.280(3) 1.0901(16) 0.115(8) Uani 1 1 d . . . H7 H 1.1253 0.3492 1.1037 0.138 Uiso 1 1 calc R . . C8 C 1.013(2) 0.252(3) 1.0217(16) 0.119(9) Uani 1 1 d . . . H8 H 1.0250 0.3006 0.9914 0.143 Uiso 1 1 calc R . . C9 C 0.9377(19) 0.157(3) 0.9987(11) 0.104(8) Uani 1 1 d . . . H9 H 0.8949 0.1442 0.9533 0.125 Uiso 1 1 calc R . . C10 C 0.3989(16) -0.104(4) 0.8068(13) 0.121(11) Uani 1 1 d U . . C11 C 0.3474(16) -0.093(2) 0.7272(13) 0.179(12) Uani 1 1 d DU . . C12 C 0.2107(14) 0.242(3) 0.7694(9) 0.094(7) Uani 1 1 d . A . C13 C 0.1469(17) 0.299(3) 0.6995(14) 0.153(12) Uani 1 1 d DU . . C14 C 0.2493(16) 0.655(3) 0.8934(13) 0.132(10) Uani 1 1 d DU . . C15 C 0.1585(19) 0.553(4) 0.8688(17) 0.146(10) Uani 1 1 d U . . C16 C 0.5756(14) 0.401(2) 0.9261(9) 0.081(6) Uani 1 1 d . . . C17 C 0.6522(19) 0.488(3) 0.9220(14) 0.105(7) Uani 1 1 d . . . F1 F 0.323(2) -0.214(3) 0.7001(11) 0.239(15) Uani 0.85(2) 1 d PDU . 1 F2 F 0.407(2) -0.060(6) 0.7134(14) 0.41(4) Uani 0.85(2) 1 d PD . 1 F3 F 0.2669(18) -0.040(4) 0.6984(10) 0.278(18) Uani 0.85(2) 1 d PDU . 1 F2' F 0.338(6) 0.102(13) 0.695(6) 0.41(4) Uani 0.15(2) 1 d PD . 2 F1' F 0.447(6) -0.233(10) 0.754(6) 0.239(15) Uani 0.15(2) 1 d PD . 2 F3' F 0.257(7) -0.197(8) 0.739(5) 0.278(18) Uani 0.15(2) 1 d PD . 2 F4 F 0.1872(18) 0.384(5) 0.6770(12) 0.248(19) Uani 0.85(3) 1 d PD A 1 F5 F 0.068(2) 0.358(5) 0.6879(12) 0.28(2) Uani 0.85(3) 1 d PD A 1 F6 F 0.1056(19) 0.201(3) 0.6534(8) 0.217(14) Uani 0.85(3) 1 d PDU A 1 F4' F 0.139(7) 0.449(16) 0.701(7) 0.248(19) Uani 0.15(3) 1 d PD A 2 F5' F 0.076(8) 0.212(11) 0.695(5) 0.28(2) Uani 0.15(3) 1 d PD A 2 F6' F 0.194(8) 0.239(11) 0.672(5) 0.217(14) Uani 0.15(3) 1 d PD A 2 F8 F 0.0970(13) 0.587(3) 0.8113(11) 0.239(11) Uani 1 1 d . . . F9 F 0.1183(14) 0.586(2) 0.9057(13) 0.229(10) Uani 1 1 d U . . F11 F 0.7101(12) 0.559(2) 0.9747(10) 0.185(8) Uani 1 1 d . . . F12 F 0.6989(14) 0.4197(19) 0.9009(12) 0.228(11) Uani 1 1 d . . . F10 F 0.6141(15) 0.606(3) 0.8826(11) 0.204(8) Uani 1 1 d . . . F7 F 0.1749(9) 0.4146(19) 0.8736(9) 0.163(7) Uani 1 1 d . . . Ag5 Ag 0.2812(7) 0.0183(18) 0.8868(3) 0.095(2) Uani 0.74(3) 1 d P . 1 Ag5' Ag 0.2647(14) 0.070(3) 0.8848(9) 0.095(2) Uani 0.26(3) 1 d P . 2 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 0.0623(8) 0.0978(10) 0.0722(9) -0.0337(8) 0.0247(7) 0.0226(7) Ag2 0.0589(8) 0.1128(12) 0.0720(10) -0.0250(9) 0.0134(7) 0.0309(8) Ag3 0.0701(13) 0.169(2) 0.0417(11) 0.000 0.0215(10) 0.000 Ag6 0.183(5) 0.203(5) 0.139(5) -0.042(4) 0.047(4) -0.044(4) N1 0.063(9) 0.121(13) 0.043(9) 0.010(9) 0.025(8) 0.045(9) N2 0.049(8) 0.130(13) 0.050(9) 0.016(9) 0.026(7) 0.022(8) N3 0.046(8) 0.129(13) 0.047(8) 0.002(9) 0.015(7) 0.029(8) O1 0.065(7) 0.134(10) 0.046(7) -0.023(7) 0.018(6) 0.035(7) O2 0.185(18) 0.167(16) 0.090(12) -0.045(12) 0.070(13) -0.016(14) O1W 0.191(19) 0.26(2) 0.061(11) -0.068(13) 0.012(11) 0.034(17) O3 0.15(4) 0.14(3) 0.10(2) -0.025(18) 0.04(2) 0.00(2) O7 0.108(14) 0.119(16) 0.14(3) -0.06(2) 0.04(3) 0.029(13) Ag4 0.0567(14) 0.049(2) 0.0505(18) -0.0112(15) 0.0151(10) -0.0086(16) O3' 0.15(4) 0.14(3) 0.10(2) -0.025(18) 0.04(2) 0.00(2) O7' 0.108(14) 0.119(16) 0.14(3) -0.06(2) 0.04(3) 0.029(13) Ag4' 0.0567(14) 0.049(2) 0.0505(18) -0.0112(15) 0.0151(10) -0.0086(16) O4 0.082(9) 0.148(12) 0.061(8) -0.034(9) 0.019(7) -0.025(9) O5 0.083(10) 0.147(14) 0.065(9) -0.029(9) 0.025(8) -0.029(9) O6 0.054(7) 0.117(10) 0.095(10) -0.060(8) 0.004(7) 0.017(7) O8 0.073(8) 0.099(10) 0.134(13) -0.031(9) 0.054(9) 0.015(8) O9 0.068(8) 0.098(9) 0.100(10) -0.030(8) 0.034(8) 0.020(7) C1 0.041(9) 0.118(16) 0.051(11) -0.030(10) 0.001(8) 0.040(10) C2 0.052(10) 0.103(14) 0.040(9) -0.036(9) 0.002(8) 0.039(10) C3 0.067(11) 0.161(19) 0.042(10) -0.004(11) 0.019(9) 0.061(12) C4 0.078(13) 0.115(15) 0.037(10) 0.003(10) 0.028(10) 0.047(12) C5 0.071(12) 0.108(15) 0.071(13) 0.020(11) 0.054(11) 0.047(11) C6 0.067(13) 0.132(19) 0.107(18) -0.018(15) 0.052(13) 0.022(13) C7 0.12(2) 0.13(2) 0.14(2) -0.015(19) 0.10(2) 0.007(16) C8 0.16(3) 0.100(19) 0.14(3) 0.038(18) 0.10(2) 0.065(18) C9 0.120(19) 0.14(2) 0.059(13) 0.014(14) 0.052(14) 0.057(17) C10 0.055(12) 0.20(3) 0.097(14) -0.08(2) 0.028(12) -0.004(16) C11 0.17(2) 0.28(3) 0.104(15) -0.12(2) 0.091(16) -0.04(2) C12 0.059(12) 0.16(2) 0.046(12) -0.034(14) 0.015(10) -0.003(14) C13 0.09(2) 0.21(3) 0.09(2) 0.005(17) -0.004(17) -0.02(2) C14 0.073(13) 0.14(2) 0.13(2) -0.042(17) 0.011(15) 0.040(12) C15 0.073(15) 0.16(3) 0.15(3) -0.05(2) 0.021(16) 0.032(14) C16 0.073(13) 0.084(14) 0.069(12) -0.029(11) 0.023(10) 0.015(12) C17 0.094(18) 0.13(2) 0.086(18) -0.014(16) 0.043(15) 0.016(17) F1 0.24(3) 0.26(2) 0.111(16) -0.104(17) 0.013(16) 0.06(2) F2 0.22(3) 0.94(11) 0.14(2) -0.22(5) 0.14(3) -0.21(5) F3 0.19(2) 0.48(5) 0.065(13) 0.00(2) -0.011(14) 0.01(3) F2' 0.22(3) 0.94(11) 0.14(2) -0.22(5) 0.14(3) -0.21(5) F1' 0.24(3) 0.26(2) 0.111(16) -0.104(17) 0.013(16) 0.06(2) F3' 0.19(2) 0.48(5) 0.065(13) 0.00(2) -0.011(14) 0.01(3) F4 0.15(2) 0.37(4) 0.128(18) 0.10(2) 0.003(14) -0.11(2) F5 0.20(3) 0.41(5) 0.108(18) 0.04(2) -0.009(17) 0.14(3) F6 0.25(3) 0.26(3) 0.049(10) 0.010(12) 0.012(13) -0.14(2) F4' 0.15(2) 0.37(4) 0.128(18) 0.10(2) 0.003(14) -0.11(2) F5' 0.20(3) 0.41(5) 0.108(18) 0.04(2) -0.009(17) 0.14(3) F6' 0.25(3) 0.26(3) 0.049(10) 0.010(12) 0.012(13) -0.14(2) F8 0.109(12) 0.27(2) 0.180(19) 0.011(18) -0.041(13) -0.023(14) F9 0.158(15) 0.25(2) 0.31(3) -0.037(19) 0.140(19) 0.076(15) F11 0.130(13) 0.221(19) 0.189(18) -0.080(16) 0.073(13) -0.081(13) F12 0.25(2) 0.164(14) 0.44(3) -0.102(17) 0.30(2) -0.039(13) F10 0.172(17) 0.25(2) 0.20(2) 0.073(18) 0.104(17) 0.018(16) F7 0.074(8) 0.159(13) 0.233(19) -0.077(13) 0.063(11) 0.004(9) Ag5 0.060(2) 0.158(6) 0.0502(9) -0.034(2) 0.0166(13) 0.002(3) Ag5' 0.060(2) 0.158(6) 0.0502(9) -0.034(2) 0.0166(13) 0.002(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 Ag1 O2 2.322(16) . ? Ag1 O8 2.326(15) . ? Ag1 C1 2.340(18) 3_657 ? Ag1 C1 2.562(16) . ? Ag1 C2 2.655(15) . ? Ag1 Ag2 2.7879(18) . ? Ag1 Ag4 2.906(5) 3_667 ? Ag1 Ag4' 2.936(5) 3_667 ? Ag1 Ag4' 2.937(5) 1_545 ? Ag1 Ag1 2.961(3) 3_657 ? Ag1 Ag5 3.015(7) . ? Ag1 Ag5' 3.20(2) . ? Ag2 C1 2.28(2) 3_657 ? Ag2 O6 2.342(13) . ? Ag2 O4 2.347(13) . ? Ag2 O9 2.408(13) . ? Ag2 Ag5' 2.80(2) . ? Ag2 Ag4 2.839(5) 3_667 ? Ag2 Ag4' 3.057(5) 3_667 ? Ag2 Ag5 3.090(12) . ? Ag3 N3 2.165(14) . ? Ag3 N3 2.165(14) 2_757 ? Ag6 O3 2.27(6) 1_565 ? Ag6 O1W 2.441(19) . ? Ag6 O4 2.593(16) . ? Ag6 O9 2.858(14) . ? N1 N2 1.335(17) . ? N1 C4 1.35(2) . ? N1 O1 1.353(18) . ? N2 N3 1.304(19) . ? N2 Ag5' 2.49(2) 3_657 ? N3 C5 1.38(2) . ? O1 C3 1.439(17) . ? O2 C10 1.24(3) . ? O1W H1WB 0.8501 . ? O1W H1WA 0.8499 . ? O3 C10 1.12(6) . ? O3 Ag6 2.27(6) 1_545 ? O7 C14 1.38(5) . ? O7 Ag5 2.06(4) 1_565 ? Ag4 O6 2.045(14) . ? Ag4 O9 2.354(13) . ? Ag4 C1 2.442(18) 1_565 ? Ag4 Ag2 2.839(5) 3_667 ? Ag4 Ag1 2.906(5) 3_667 ? O3' C10 1.25(6) . ? O3' Ag4' 2.15(5) 1_545 ? O7' C14 1.220(10) . ? Ag4' C1 2.125(17) 1_565 ? Ag4' O3' 2.15(5) 1_565 ? Ag4' O6 2.525(15) . ? Ag4' Ag1 2.936(5) 3_667 ? Ag4' Ag1 2.937(5) 1_565 ? Ag4' Ag2 3.057(5) 3_667 ? O4 C12 1.24(2) . ? O5 C12 1.23(3) . ? O5 Ag5' 2.10(2) . ? O5 Ag5 2.306(18) . ? O6 C14 1.24(2) . ? O8 C16 1.23(2) . ? O9 C16 1.22(2) . ? C1 C2 1.206(10) . ? C1 Ag4' 2.125(17) 1_545 ? C1 Ag2 2.277(19) 3_657 ? C1 Ag1 2.340(18) 3_657 ? C1 Ag5' 2.37(2) 3_657 ? C1 Ag5 2.418(17) 3_657 ? C1 Ag4 2.442(18) 1_545 ? C2 C3 1.46(3) . ? C2 Ag5' 2.55(2) 3_657 ? C2 Ag5 2.604(16) 3_657 ? C3 H3A 0.9700 . ? C3 H3B 0.9700 . ? C4 C5 1.37(2) . ? C4 C9 1.39(3) . ? C5 C6 1.38(3) . ? C6 C7 1.35(3) . ? C6 H6 0.9300 . ? C7 C8 1.41(3) . ? C7 H7 0.9300 . ? C8 C9 1.34(3) . ? C8 H8 0.9300 . ? C9 H9 0.9300 . ? C10 C11 1.61(4) . ? C11 F2 1.201(15) . ? C11 F1 1.203(15) . ? C11 F3 1.206(15) . ? C11 F2' 1.85(10) . ? C11 F1' 1.86(10) . ? C11 F3' 1.86(10) . ? C12 C13 1.50(3) . ? C13 F6 1.27(2) . ? C13 F4 1.27(2) . ? C13 F5 1.27(2) . ? C13 F4' 1.33(14) . ? C13 F5' 1.33(14) . ? C13 F6' 1.33(14) . ? C14 C15 1.55(4) . ? C15 F8 1.23(3) . ? C15 F7 1.24(3) . ? C15 F9 1.35(4) . ? C16 C17 1.50(3) . ? C17 F12 1.25(2) . ? C17 F11 1.26(3) . ? C17 F10 1.31(3) . ? Ag5 O7 2.06(5) 1_545 ? Ag5 C1 2.418(17) 3_657 ? Ag5 C2 2.604(16) 3_657 ? Ag5' C1 2.37(2) 3_657 ? Ag5' N2 2.49(2) 3_657 ? Ag5' C2 2.55(2) 3_657 ? 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 O2 Ag1 O8 86.8(6) . . ? O2 Ag1 C1 126.8(6) . 3_657 ? O8 Ag1 C1 123.5(6) . 3_657 ? O2 Ag1 C1 103.5(6) . . ? O8 Ag1 C1 107.7(5) . . ? C1 Ag1 C1 105.8(4) 3_657 . ? O2 Ag1 C2 92.6(6) . . ? O8 Ag1 C2 83.0(5) . . ? C1 Ag1 C2 129.9(5) 3_657 . ? O2 Ag1 Ag2 99.1(5) . . ? O8 Ag1 Ag2 82.6(3) . . ? C1 Ag1 Ag2 51.8(4) 3_657 . ? C1 Ag1 Ag2 155.5(4) . . ? C2 Ag1 Ag2 160.9(4) . . ? O2 Ag1 Ag4 153.8(5) . 3_667 ? O8 Ag1 Ag4 75.9(3) . 3_667 ? C1 Ag1 Ag4 54.2(4) 3_657 3_667 ? C1 Ag1 Ag4 100.4(4) . 3_667 ? C2 Ag1 Ag4 104.4(3) . 3_667 ? Ag2 Ag1 Ag4 59.76(11) . 3_667 ? O2 Ag1 Ag4' 163.4(5) . 3_667 ? O8 Ag1 Ag4' 88.3(3) . 3_667 ? C1 Ag1 Ag4' 45.8(4) 3_657 3_667 ? C1 Ag1 Ag4' 93.1(4) . 3_667 ? C2 Ag1 Ag4' 102.6(3) . 3_667 ? Ag2 Ag1 Ag4' 64.50(10) . 3_667 ? Ag4 Ag1 Ag4' 12.96(7) 3_667 3_667 ? O2 Ag1 Ag4' 73.9(5) . 1_545 ? O8 Ag1 Ag4' 137.4(3) . 1_545 ? C1 Ag1 Ag4' 98.0(5) 3_657 1_545 ? C1 Ag1 Ag4' 44.8(4) . 1_545 ? C2 Ag1 Ag4' 60.8(4) . 1_545 ? Ag2 Ag1 Ag4' 137.07(12) . 1_545 ? Ag4 Ag1 Ag4' 131.76(13) 3_667 1_545 ? Ag4' Ag1 Ag4' 119.45(11) 3_667 1_545 ? O2 Ag1 Ag1 132.5(5) . 3_657 ? O8 Ag1 Ag1 134.4(4) . 3_657 ? C1 Ag1 Ag1 56.4(4) 3_657 3_657 ? C1 Ag1 Ag1 49.5(4) . 3_657 ? C2 Ag1 Ag1 74.5(4) . 3_657 ? Ag2 Ag1 Ag1 107.41(7) . 3_657 ? Ag4 Ag1 Ag1 72.19(11) 3_667 3_657 ? Ag4' Ag1 Ag1 59.73(10) 3_667 3_657 ? Ag4' Ag1 Ag1 59.72(11) 1_545 3_657 ? O2 Ag1 Ag5 76.2(5) . . ? O8 Ag1 Ag5 139.1(4) . . ? C1 Ag1 Ag5 51.9(4) 3_657 . ? C1 Ag1 Ag5 112.4(5) . . ? C2 Ag1 Ag5 133.9(5) . . ? Ag2 Ag1 Ag5 64.2(3) . . ? Ag4 Ag1 Ag5 104.2(3) 3_667 . ? Ag4' Ag1 Ag5 97.5(2) 3_667 . ? Ag4' Ag1 Ag5 73.1(3) 1_545 . ? Ag1 Ag1 Ag5 80.85(18) 3_657 . ? O2 Ag1 Ag5' 79.2(6) . . ? O8 Ag1 Ag5' 132.0(6) . . ? C1 Ag1 Ag5' 47.7(5) 3_657 . ? C1 Ag1 Ag5' 120.1(7) . . ? C2 Ag1 Ag5' 142.6(7) . . ? Ag2 Ag1 Ag5' 55.3(5) . . ? Ag4 Ag1 Ag5' 97.8(4) 3_667 . ? Ag4' Ag1 Ag5' 92.4(4) 3_667 . ? Ag4' Ag1 Ag5' 81.9(5) 1_545 . ? Ag1 Ag1 Ag5' 84.4(4) 3_657 . ? Ag5 Ag1 Ag5' 8.9(4) . . ? C1 Ag2 O6 135.1(5) 3_657 . ? C1 Ag2 O4 124.0(6) 3_657 . ? O6 Ag2 O4 89.3(5) . . ? C1 Ag2 O9 121.4(5) 3_657 . ? O6 Ag2 O9 77.7(4) . . ? O4 Ag2 O9 96.0(5) . . ? C1 Ag2 Ag1 53.9(4) 3_657 . ? O6 Ag2 Ag1 159.6(3) . . ? O4 Ag2 Ag1 97.9(4) . . ? O9 Ag2 Ag1 82.6(3) . . ? C1 Ag2 Ag5' 54.5(6) 3_657 . ? O6 Ag2 Ag5' 130.5(6) . . ? O4 Ag2 Ag5' 71.2(6) . . ? O9 Ag2 Ag5' 147.0(5) . . ? Ag1 Ag2 Ag5' 69.8(5) . . ? C1 Ag2 Ag4 55.7(4) 3_657 3_667 ? O6 Ag2 Ag4 105.7(3) . 3_667 ? O4 Ag2 Ag4 156.5(4) . 3_667 ? O9 Ag2 Ag4 70.6(3) . 3_667 ? Ag1 Ag2 Ag4 62.19(11) . 3_667 ? Ag5' Ag2 Ag4 109.3(5) . 3_667 ? C1 Ag2 Ag4' 44.0(4) 3_657 3_667 ? O6 Ag2 Ag4' 111.6(3) . 3_667 ? O4 Ag2 Ag4' 158.0(4) . 3_667 ? O9 Ag2 Ag4' 82.5(3) . 3_667 ? Ag1 Ag2 Ag4' 60.11(10) . 3_667 ? Ag5' Ag2 Ag4' 98.2(5) . 3_667 ? Ag4 Ag2 Ag4' 12.14(9) 3_667 3_667 ? C1 Ag2 Ag5 50.8(4) 3_657 . ? O6 Ag2 Ag5 138.9(4) . . ? O4 Ag2 Ag5 73.5(4) . . ? O9 Ag2 Ag5 139.8(4) . . ? Ag1 Ag2 Ag5 61.5(3) . . ? Ag5' Ag2 Ag5 8.3(3) . . ? Ag4 Ag2 Ag5 104.0(2) 3_667 . ? Ag4' Ag2 Ag5 93.4(2) 3_667 . ? N3 Ag3 N3 171.0(9) . 2_757 ? O3 Ag6 O1W 143.0(15) 1_565 . ? O3 Ag6 O4 129.2(16) 1_565 . ? O1W Ag6 O4 80.8(6) . . ? O3 Ag6 O9 82.4(15) 1_565 . ? O1W Ag6 O9 82.3(5) . . ? O4 Ag6 O9 80.7(4) . . ? N2 N1 C4 110.9(16) . . ? N2 N1 O1 120.6(18) . . ? C4 N1 O1 127.8(14) . . ? N3 N2 N1 107.2(15) . . ? N3 N2 Ag5' 117.8(11) . 3_657 ? N1 N2 Ag5' 115.8(11) . 3_657 ? N2 N3 C5 109.8(15) . . ? N2 N3 Ag3 118.3(12) . . ? C5 N3 Ag3 131.8(13) . . ? N1 O1 C3 109.9(12) . . ? C10 O2 Ag1 126(2) . . ? Ag6 O1W H1WB 108.5 . . ? Ag6 O1W H1WA 108.9 . . ? H1WB O1W H1WA 109.5 . . ? C10 O3 Ag6 145(4) . 1_545 ? C14 O7 Ag5 141(3) . 1_565 ? O6 Ag4 O9 85.0(5) . . ? O6 Ag4 C1 166.0(6) . 1_565 ? O9 Ag4 C1 107.1(5) . 1_565 ? O6 Ag4 Ag2 126.2(5) . 3_667 ? O9 Ag4 Ag2 84.4(3) . 3_667 ? C1 Ag4 Ag2 50.4(4) 1_565 3_667 ? O6 Ag4 Ag1 115.0(4) . 3_667 ? O9 Ag4 Ag1 142.4(4) . 3_667 ? C1 Ag4 Ag1 51.0(4) 1_565 3_667 ? Ag2 Ag4 Ag1 58.05(10) 3_667 3_667 ? C10 O3' Ag4' 116(3) . 1_545 ? C1 Ag4' O3' 130.6(18) 1_565 1_565 ? C1 Ag4' O6 146.5(7) 1_565 . ? O3' Ag4' O6 78.8(17) 1_565 . ? C1 Ag4' Ag1 52.1(5) 1_565 3_667 ? O3' Ag4' Ag1 124.8(11) 1_565 3_667 ? O6 Ag4' Ag1 100.3(3) . 3_667 ? C1 Ag4' Ag1 58.2(5) 1_565 1_565 ? O3' Ag4' Ag1 77.9(15) 1_565 1_565 ? O6 Ag4' Ag1 129.9(3) . 1_565 ? Ag1 Ag4' Ag1 60.55(11) 3_667 1_565 ? C1 Ag4' Ag2 48.1(5) 1_565 3_667 ? O3' Ag4' Ag2 178.5(16) 1_565 3_667 ? O6 Ag4' Ag2 102.6(4) . 3_667 ? Ag1 Ag4' Ag2 55.40(9) 3_667 3_667 ? Ag1 Ag4' Ag2 101.28(14) 1_565 3_667 ? C12 O4 Ag2 128.0(15) . . ? C12 O4 Ag6 138.3(15) . . ? Ag2 O4 Ag6 93.6(5) . . ? C12 O5 Ag5' 113.1(15) . . ? C12 O5 Ag5 118.0(13) . . ? C14 O6 Ag4 125.3(16) . . ? C14 O6 Ag2 133.5(15) . . ? Ag4 O6 Ag2 101.1(5) . . ? C14 O6 Ag4' 118.0(16) . . ? Ag2 O6 Ag4' 107.3(5) . . ? C16 O8 Ag1 125.6(13) . . ? C16 O9 Ag4 146.6(13) . . ? C16 O9 Ag2 121.1(14) . . ? Ag4 O9 Ag2 90.9(4) . . ? C16 O9 Ag6 101.6(11) . . ? Ag4 O9 Ag6 88.8(4) . . ? Ag2 O9 Ag6 86.0(4) . . ? C2 C1 Ag4' 114.3(13) . 1_545 ? C2 C1 Ag2 132.4(12) . 3_657 ? Ag4' C1 Ag2 87.9(7) 1_545 3_657 ? C2 C1 Ag1 146.3(14) . 3_657 ? Ag4' C1 Ag1 82.1(6) 1_545 3_657 ? Ag2 C1 Ag1 74.3(6) 3_657 3_657 ? C2 C1 Ag5' 84.2(12) . 3_657 ? Ag4' C1 Ag5' 160.4(12) 1_545 3_657 ? Ag2 C1 Ag5' 74.2(8) 3_657 3_657 ? Ag1 C1 Ag5' 85.5(7) 3_657 3_657 ? C2 C1 Ag5 84.8(11) . 3_657 ? Ag4' C1 Ag5 160.1(10) 1_545 3_657 ? Ag2 C1 Ag5 82.3(6) 3_657 3_657 ? Ag1 C1 Ag5 78.6(6) 3_657 3_657 ? C2 C1 Ag4 126.9(13) . 1_545 ? Ag2 C1 Ag4 73.9(6) 3_657 1_545 ? Ag1 C1 Ag4 74.8(5) 3_657 1_545 ? Ag5' C1 Ag4 145.9(11) 3_657 1_545 ? Ag5 C1 Ag4 148.1(9) 3_657 1_545 ? C2 C1 Ag1 81.0(11) . . ? Ag4' C1 Ag1 77.0(5) 1_545 . ? Ag2 C1 Ag1 146.5(8) 3_657 . ? Ag1 C1 Ag1 74.2(4) 3_657 . ? Ag5' C1 Ag1 114.0(10) 3_657 . ? Ag5 C1 Ag1 102.1(7) 3_657 . ? Ag4 C1 Ag1 87.3(5) 1_545 . ? C1 C2 C3 175.5(17) . . ? C1 C2 Ag5' 67.8(11) . 3_657 ? C3 C2 Ag5' 116.4(12) . 3_657 ? C1 C2 Ag5 67.7(10) . 3_657 ? C3 C2 Ag5 116.8(11) . 3_657 ? C1 C2 Ag1 72.4(11) . . ? C3 C2 Ag1 107.3(10) . . ? Ag5' C2 Ag1 105.4(7) 3_657 . ? Ag5 C2 Ag1 94.9(6) 3_657 . ? O1 C3 C2 110.3(15) . . ? O1 C3 H3A 109.6 . . ? C2 C3 H3A 109.6 . . ? O1 C3 H3B 109.6 . . ? C2 C3 H3B 109.6 . . ? H3A C3 H3B 108.1 . . ? N1 C4 C5 105.5(17) . . ? N1 C4 C9 134(2) . . ? C5 C4 C9 120(2) . . ? C4 C5 C6 123(2) . . ? C4 C5 N3 106.4(19) . . ? C6 C5 N3 130.6(19) . . ? C7 C6 C5 116(2) . . ? C7 C6 H6 122.0 . . ? C5 C6 H6 122.0 . . ? C6 C7 C8 121(3) . . ? C6 C7 H7 119.4 . . ? C8 C7 H7 119.4 . . ? C9 C8 C7 122(3) . . ? C9 C8 H8 118.8 . . ? C7 C8 H8 118.8 . . ? C8 C9 C4 117(2) . . ? C8 C9 H9 121.6 . . ? C4 C9 H9 121.6 . . ? O3 C10 O3' 48(3) . . ? O3 C10 O2 135(4) . . ? O3' C10 O2 116(3) . . ? O3 C10 C11 111(4) . . ? O3' C10 C11 125(3) . . ? O2 C10 C11 111(3) . . ? F2 C11 F1 99(3) . . ? F2 C11 F3 123(3) . . ? F1 C11 F3 95(2) . . ? F2 C11 C10 109(2) . . ? F1 C11 C10 113(2) . . ? F3 C11 C10 116(2) . . ? F2 C11 F2' 64.8(12) . . ? F1 C11 F2' 132(5) . . ? F3 C11 F2' 64.8(12) . . ? C10 C11 F2' 115(5) . . ? F2 C11 F1' 64.8(12) . . ? F1 C11 F1' 64.7(12) . . ? F3 C11 F1' 160(3) . . ? C10 C11 F1' 74(4) . . ? F2' C11 F1' 128.8(17) . . ? F2 C11 F3' 163(2) . . ? F1 C11 F3' 64.7(12) . . ? F3 C11 F3' 64.7(13) . . ? C10 C11 F3' 77(3) . . ? F2' C11 F3' 127.8(19) . . ? F1' C11 F3' 103(3) . . ? O5 C12 O4 130(2) . . ? O5 C12 C13 115.3(19) . . ? O4 C12 C13 114(2) . . ? F6 C13 F4 102(3) . . ? F6 C13 F5 94(3) . . ? F4 C13 F5 110(3) . . ? F6 C13 F4' 132(7) . . ? F4 C13 F4' 60(2) . . ? F5 C13 F4' 60(2) . . ? F6 C13 F5' 60(2) . . ? F4 C13 F5' 155(5) . . ? F5 C13 F5' 60(2) . . ? F4' C13 F5' 119(3) . . ? F6 C13 F6' 60(2) . . ? F4 C13 F6' 60(2) . . ? F5 C13 F6' 145(6) . . ? F4' C13 F6' 119(5) . . ? F5' C13 F6' 114.5(16) . . ? F6 C13 C12 118(2) . . ? F4 C13 C12 116(2) . . ? F5 C13 C12 115(2) . . ? F4' C13 C12 109(7) . . ? F5' C13 C12 88(5) . . ? F6' C13 C12 99(6) . . ? O7' C14 O6 128(3) . . ? O7' C14 O7 46(2) . . ? O6 C14 O7 122(3) . . ? O7' C14 C15 109(3) . . ? O6 C14 C15 118(2) . . ? O7 C14 C15 115(3) . . ? F8 C15 F7 110(3) . . ? F8 C15 F9 106(2) . . ? F7 C15 F9 108(3) . . ? F8 C15 C14 110(3) . . ? F7 C15 C14 115(2) . . ? F9 C15 C14 108(3) . . ? O9 C16 O8 127(2) . . ? O9 C16 C17 119(2) . . ? O8 C16 C17 113.5(19) . . ? F12 C17 F11 109(2) . . ? F12 C17 F10 105(2) . . ? F11 C17 F10 98(2) . . ? F12 C17 C16 117(2) . . ? F11 C17 C16 114(2) . . ? F10 C17 C16 110(2) . . ? O7 Ag5 O5 99.1(13) 1_545 . ? O7 Ag5 C1 131.5(14) 1_545 3_657 ? O5 Ag5 C1 129.2(9) . 3_657 ? O7 Ag5 C2 112.2(13) 1_545 3_657 ? O5 Ag5 C2 138.2(9) . 3_657 ? C1 Ag5 C2 27.5(3) 3_657 3_657 ? O7 Ag5 Ag1 120.5(14) 1_545 . ? O5 Ag5 Ag1 113.3(5) . . ? C1 Ag5 Ag1 49.5(4) 3_657 . ? C2 Ag5 Ag1 74.3(4) 3_657 . ? O7 Ag5 Ag2 174.8(14) 1_545 . ? O5 Ag5 Ag2 83.2(6) . . ? C1 Ag5 Ag2 46.9(5) 3_657 . ? C2 Ag5 Ag2 68.2(5) 3_657 . ? Ag1 Ag5 Ag2 54.32(13) . . ? O5 Ag5' C1 145.5(14) . 3_657 ? O5 Ag5' N2 93.0(9) . 3_657 ? C1 Ag5' N2 106.9(9) 3_657 3_657 ? O5 Ag5' C2 161.7(14) . 3_657 ? C1 Ag5' C2 28.1(3) 3_657 3_657 ? N2 Ag5' C2 81.1(8) 3_657 3_657 ? O5 Ag5' Ag2 94.5(11) . . ? C1 Ag5' Ag2 51.4(6) 3_657 . ? N2 Ag5' Ag2 118.4(10) 3_657 . ? C2 Ag5' Ag2 73.7(7) 3_657 . ? O5 Ag5' Ag1 113.2(9) . . ? C1 Ag5' Ag1 46.8(5) 3_657 . ? N2 Ag5' Ag1 152.8(8) 3_657 . ? C2 Ag5' Ag1 71.7(6) 3_657 . ? Ag2 Ag5' Ag1 54.9(4) . . ? 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 O2 Ag1 Ag2 C1 130.2(7) . . . 3_657 ? O8 Ag1 Ag2 C1 -144.2(6) . . . 3_657 ? C1 Ag1 Ag2 C1 -27.2(14) . . . 3_657 ? C2 Ag1 Ag2 C1 -102.8(15) . . . 3_657 ? Ag4 Ag1 Ag2 C1 -66.2(5) 3_667 . . 3_657 ? Ag4' Ag1 Ag2 C1 -52.6(5) 3_667 . . 3_657 ? Ag4' Ag1 Ag2 C1 54.1(5) 1_545 . . 3_657 ? Ag1 Ag1 Ag2 C1 -9.9(5) 3_657 . . 3_657 ? Ag5 Ag1 Ag2 C1 60.5(5) . . . 3_657 ? Ag5' Ag1 Ag2 C1 60.2(7) . . . 3_657 ? O2 Ag1 Ag2 O6 -106.2(11) . . . . ? O8 Ag1 Ag2 O6 -20.7(11) . . . . ? C1 Ag1 Ag2 O6 123.5(11) 3_657 . . . ? C1 Ag1 Ag2 O6 96.4(14) . . . . ? C2 Ag1 Ag2 O6 20.7(16) . . . . ? Ag4 Ag1 Ag2 O6 57.3(10) 3_667 . . . ? Ag4' Ag1 Ag2 O6 71.0(10) 3_667 . . . ? Ag4' Ag1 Ag2 O6 177.6(10) 1_545 . . . ? Ag1 Ag1 Ag2 O6 113.7(10) 3_657 . . . ? Ag5 Ag1 Ag2 O6 -176.0(10) . . . . ? Ag5' Ag1 Ag2 O6 -176.3(11) . . . . ? O2 Ag1 Ag2 O4 3.5(6) . . . . ? O8 Ag1 Ag2 O4 89.0(5) . . . . ? C1 Ag1 Ag2 O4 -126.8(6) 3_657 . . . ? C1 Ag1 Ag2 O4 -153.9(10) . . . . ? C2 Ag1 Ag2 O4 130.4(13) . . . . ? Ag4 Ag1 Ag2 O4 167.0(4) 3_667 . . . ? Ag4' Ag1 Ag2 O4 -179.4(4) 3_667 . . . ? Ag4' Ag1 Ag2 O4 -72.7(4) 1_545 . . . ? Ag1 Ag1 Ag2 O4 -136.7(4) 3_657 . . . ? Ag5 Ag1 Ag2 O4 -66.3(4) . . . . ? Ag5' Ag1 Ag2 O4 -66.6(6) . . . . ? O2 Ag1 Ag2 O9 -91.6(6) . . . . ? O8 Ag1 Ag2 O9 -6.1(5) . . . . ? C1 Ag1 Ag2 O9 138.1(6) 3_657 . . . ? C1 Ag1 Ag2 O9 111.0(10) . . . . ? C2 Ag1 Ag2 O9 35.3(13) . . . . ? Ag4 Ag1 Ag2 O9 71.9(3) 3_667 . . . ? Ag4' Ag1 Ag2 O9 85.6(3) 3_667 . . . ? Ag4' Ag1 Ag2 O9 -167.8(3) 1_545 . . . ? Ag1 Ag1 Ag2 O9 128.3(3) 3_657 . . . ? Ag5 Ag1 Ag2 O9 -161.4(3) . . . . ? Ag5' Ag1 Ag2 O9 -161.7(5) . . . . ? O2 Ag1 Ag2 Ag5' 70.1(7) . . . . ? O8 Ag1 Ag2 Ag5' 155.6(6) . . . . ? C1 Ag1 Ag2 Ag5' -60.2(7) 3_657 . . . ? C1 Ag1 Ag2 Ag5' -87.3(11) . . . . ? C2 Ag1 Ag2 Ag5' -163.0(13) . . . . ? Ag4 Ag1 Ag2 Ag5' -126.4(4) 3_667 . . . ? Ag4' Ag1 Ag2 Ag5' -112.7(4) 3_667 . . . ? Ag4' Ag1 Ag2 Ag5' -6.0(5) 1_545 . . . ? Ag1 Ag1 Ag2 Ag5' -70.0(4) 3_657 . . . ? Ag5 Ag1 Ag2 Ag5' 0.3(5) . . . . ? O2 Ag1 Ag2 Ag4 -163.5(5) . . . 3_667 ? O8 Ag1 Ag2 Ag4 -78.0(4) . . . 3_667 ? C1 Ag1 Ag2 Ag4 66.2(5) 3_657 . . 3_667 ? C1 Ag1 Ag2 Ag4 39.1(10) . . . 3_667 ? C2 Ag1 Ag2 Ag4 -36.6(12) . . . 3_667 ? Ag4' Ag1 Ag2 Ag4 13.67(12) 3_667 . . 3_667 ? Ag4' Ag1 Ag2 Ag4 120.34(17) 1_545 . . 3_667 ? Ag1 Ag1 Ag2 Ag4 56.37(13) 3_657 . . 3_667 ? Ag5 Ag1 Ag2 Ag4 126.71(17) . . . 3_667 ? Ag5' Ag1 Ag2 Ag4 126.4(4) . . . 3_667 ? O2 Ag1 Ag2 Ag4' -177.2(5) . . . 3_667 ? O8 Ag1 Ag2 Ag4' -91.6(4) . . . 3_667 ? C1 Ag1 Ag2 Ag4' 52.6(5) 3_657 . . 3_667 ? C1 Ag1 Ag2 Ag4' 25.4(10) . . . 3_667 ? C2 Ag1 Ag2 Ag4' -50.2(12) . . . 3_667 ? Ag4 Ag1 Ag2 Ag4' -13.67(12) 3_667 . . 3_667 ? Ag4' Ag1 Ag2 Ag4' 106.67(17) 1_545 . . 3_667 ? Ag1 Ag1 Ag2 Ag4' 42.70(12) 3_657 . . 3_667 ? Ag5 Ag1 Ag2 Ag4' 113.04(16) . . . 3_667 ? Ag5' Ag1 Ag2 Ag4' 112.7(4) . . . 3_667 ? O2 Ag1 Ag2 Ag5 69.8(5) . . . . ? O8 Ag1 Ag2 Ag5 155.3(4) . . . . ? C1 Ag1 Ag2 Ag5 -60.5(5) 3_657 . . . ? C1 Ag1 Ag2 Ag5 -87.6(10) . . . . ? C2 Ag1 Ag2 Ag5 -163.3(12) . . . . ? Ag4 Ag1 Ag2 Ag5 -126.71(17) 3_667 . . . ? Ag4' Ag1 Ag2 Ag5 -113.04(16) 3_667 . . . ? Ag4' Ag1 Ag2 Ag5 -6.4(2) 1_545 . . . ? Ag1 Ag1 Ag2 Ag5 -70.34(14) 3_657 . . . ? Ag5' Ag1 Ag2 Ag5 -0.3(5) . . . . ? C4 N1 N2 N3 0.3(18) . . . . ? O1 N1 N2 N3 171.7(12) . . . . ? C4 N1 N2 Ag5' 134.2(13) . . . 3_657 ? O1 N1 N2 Ag5' -54.4(17) . . . 3_657 ? N1 N2 N3 C5 1.3(17) . . . . ? Ag5' N2 N3 C5 -131.4(13) 3_657 . . . ? N1 N2 N3 Ag3 177.3(9) . . . . ? Ag5' N2 N3 Ag3 44.6(16) 3_657 . . . ? N2 N1 O1 C3 93.2(17) . . . . ? C4 N1 O1 C3 -97.0(18) . . . . ? O8 Ag1 O2 C10 159(2) . . . . ? C1 Ag1 O2 C10 -70(2) 3_657 . . . ? C1 Ag1 O2 C10 52(2) . . . . ? C2 Ag1 O2 C10 76(2) . . . . ? Ag2 Ag1 O2 C10 -119(2) . . . . ? Ag4 Ag1 O2 C10 -152.7(15) 3_667 . . . ? Ag4' Ag1 O2 C10 -127.8(19) 3_667 . . . ? Ag4' Ag1 O2 C10 17.6(19) 1_545 . . . ? Ag1 Ag1 O2 C10 5(2) 3_657 . . . ? Ag5 Ag1 O2 C10 -58(2) . . . . ? Ag5' Ag1 O2 C10 -67(2) . . . . ? C1 Ag2 O4 C12 31(2) 3_657 . . . ? O6 Ag2 O4 C12 -116.3(18) . . . . ? O9 Ag2 O4 C12 166.1(18) . . . . ? Ag1 Ag2 O4 C12 82.8(18) . . . . ? Ag5' Ag2 O4 C12 17.3(18) . . . . ? Ag4 Ag2 O4 C12 112.9(17) 3_667 . . . ? Ag4' Ag2 O4 C12 81(2) 3_667 . . . ? Ag5 Ag2 O4 C12 25.8(17) . . . . ? C1 Ag2 O4 Ag6 -150.9(5) 3_657 . . . ? O6 Ag2 O4 Ag6 61.3(5) . . . . ? O9 Ag2 O4 Ag6 -16.3(5) . . . . ? Ag1 Ag2 O4 Ag6 -99.6(4) . . . . ? Ag5' Ag2 O4 Ag6 -165.1(7) . . . . ? Ag4 Ag2 O4 Ag6 -69.5(11) 3_667 . . . ? Ag4' Ag2 O4 Ag6 -101.1(10) 3_667 . . . ? Ag5 Ag2 O4 Ag6 -156.6(5) . . . . ? O3 Ag6 O4 C12 119(3) 1_565 . . . ? O1W Ag6 O4 C12 -85(2) . . . . ? O9 Ag6 O4 C12 -169(2) . . . . ? O3 Ag6 O4 Ag2 -58.4(19) 1_565 . . . ? O1W Ag6 O4 Ag2 97.4(5) . . . . ? O9 Ag6 O4 Ag2 13.8(4) . . . . ? O9 Ag4 O6 C14 -159(2) . . . . ? C1 Ag4 O6 C14 51(4) 1_565 . . . ? Ag2 Ag4 O6 C14 121.7(19) 3_667 . . . ? Ag1 Ag4 O6 C14 54(2) 3_667 . . . ? O9 Ag4 O6 Ag2 18.4(5) . . . . ? C1 Ag4 O6 Ag2 -131(2) 1_565 . . . ? Ag2 Ag4 O6 Ag2 -60.9(6) 3_667 . . . ? Ag1 Ag4 O6 Ag2 -128.4(4) 3_667 . . . ? O9 Ag4 O6 Ag4' -105.6(13) . . . . ? C1 Ag4 O6 Ag4' 105(3) 1_565 . . . ? Ag2 Ag4 O6 Ag4' 175.1(15) 3_667 . . . ? Ag1 Ag4 O6 Ag4' 107.6(13) 3_667 . . . ? C1 Ag2 O6 C14 -79(2) 3_657 . . . ? O4 Ag2 O6 C14 62(2) . . . . ? O9 Ag2 O6 C14 159(2) . . . . ? Ag1 Ag2 O6 C14 173.6(19) . . . . ? Ag5' Ag2 O6 C14 -2(3) . . . . ? Ag4 Ag2 O6 C14 -136(2) 3_667 . . . ? Ag4' Ag2 O6 C14 -125(2) 3_667 . . . ? Ag5 Ag2 O6 C14 -1(3) . . . . ? C1 Ag2 O6 Ag4 104.1(8) 3_657 . . . ? O4 Ag2 O6 Ag4 -114.6(6) . . . . ? O9 Ag2 O6 Ag4 -18.3(5) . . . . ? Ag1 Ag2 O6 Ag4 -3.5(14) . . . . ? Ag5' Ag2 O6 Ag4 -178.9(6) . . . . ? Ag4 Ag2 O6 Ag4 47.2(6) 3_667 . . . ? Ag4' Ag2 O6 Ag4 58.4(6) 3_667 . . . ? Ag5 Ag2 O6 Ag4 -178.1(2) . . . . ? C1 Ag2 O6 Ag4' 114.0(8) 3_657 . . . ? O4 Ag2 O6 Ag4' -104.7(6) . . . . ? O9 Ag2 O6 Ag4' -8.4(5) . . . . ? Ag1 Ag2 O6 Ag4' 6.4(14) . . . . ? Ag5' Ag2 O6 Ag4' -169.0(6) . . . . ? Ag4 Ag2 O6 Ag4' 57.1(5) 3_667 . . . ? Ag4' Ag2 O6 Ag4' 68.3(6) 3_667 . . . ? Ag5 Ag2 O6 Ag4' -168.2(2) . . . . ? C1 Ag4' O6 C14 102.8(19) 1_565 . . . ? O3' Ag4' O6 C14 -52(2) 1_565 . . . ? Ag1 Ag4' O6 C14 71.7(17) 3_667 . . . ? Ag1 Ag4' O6 C14 11.7(18) 1_565 . . . ? Ag2 Ag4' O6 C14 128.3(17) 3_667 . . . ? C1 Ag4' O6 Ag4 -29.3(14) 1_565 . . . ? O3' Ag4' O6 Ag4 175.9(18) 1_565 . . . ? Ag1 Ag4' O6 Ag4 -60.4(12) 3_667 . . . ? Ag1 Ag4' O6 Ag4 -120.4(14) 1_565 . . . ? Ag2 Ag4' O6 Ag4 -3.8(12) 3_667 . . . ? C1 Ag4' O6 Ag2 -87.7(10) 1_565 . . . ? O3' Ag4' O6 Ag2 117.4(12) 1_565 . . . ? Ag1 Ag4' O6 Ag2 -118.8(4) 3_667 . . . ? Ag1 Ag4' O6 Ag2 -178.9(3) 1_565 . . . ? Ag2 Ag4' O6 Ag2 -62.2(5) 3_667 . . . ? O2 Ag1 O8 C16 105.9(16) . . . . ? C1 Ag1 O8 C16 -27.2(18) 3_657 . . . ? C1 Ag1 O8 C16 -151.0(15) . . . . ? C2 Ag1 O8 C16 -161.2(16) . . . . ? Ag2 Ag1 O8 C16 6.3(15) . . . . ? Ag4 Ag1 O8 C16 -54.3(15) 3_667 . . . ? Ag4' Ag1 O8 C16 -58.2(16) 3_667 . . . ? Ag4' Ag1 O8 C16 167.9(13) 1_545 . . . ? Ag1 Ag1 O8 C16 -100.9(15) 3_657 . . . ? Ag5 Ag1 O8 C16 41.3(18) . . . . ? Ag5' Ag1 O8 C16 33.4(18) . . . . ? O6 Ag4 O9 C16 178(3) . . . . ? C1 Ag4 O9 C16 -9(3) 1_565 . . . ? Ag2 Ag4 O9 C16 -55(2) 3_667 . . . ? Ag1 Ag4 O9 C16 -56(3) 3_667 . . . ? O6 Ag4 O9 Ag2 -17.5(5) . . . . ? C1 Ag4 O9 Ag2 155.2(5) 1_565 . . . ? Ag2 Ag4 O9 Ag2 109.6(3) 3_667 . . . ? Ag1 Ag4 O9 Ag2 108.1(5) 3_667 . . . ? O6 Ag4 O9 Ag6 68.5(5) . . . . ? C1 Ag4 O9 Ag6 -118.9(5) 1_565 . . . ? Ag2 Ag4 O9 Ag6 -164.4(3) 3_667 . . . ? Ag1 Ag4 O9 Ag6 -166.0(4) 3_667 . . . ? C1 Ag2 O9 C16 50.0(15) 3_657 . . . ? O6 Ag2 O9 C16 -174.3(15) . . . . ? O4 Ag2 O9 C16 -86.3(14) . . . . ? Ag1 Ag2 O9 C16 10.8(13) . . . . ? Ag5' Ag2 O9 C16 -22.0(19) . . . . ? Ag4 Ag2 O9 C16 73.9(14) 3_667 . . . ? Ag4' Ag2 O9 C16 71.5(14) 3_667 . . . ? Ag5 Ag2 O9 C16 -14.9(17) . . . . ? C1 Ag2 O9 Ag4 -120.2(6) 3_657 . . . ? O6 Ag2 O9 Ag4 15.5(4) . . . . ? O4 Ag2 O9 Ag4 103.5(5) . . . . ? Ag1 Ag2 O9 Ag4 -159.3(4) . . . . ? Ag5' Ag2 O9 Ag4 167.9(8) . . . . ? Ag4 Ag2 O9 Ag4 -96.2(4) 3_667 . . . ? Ag4' Ag2 O9 Ag4 -98.6(4) 3_667 . . . ? Ag5 Ag2 O9 Ag4 174.9(3) . . . . ? C1 Ag2 O9 Ag6 151.1(5) 3_657 . . . ? O6 Ag2 O9 Ag6 -73.2(4) . . . . ? O4 Ag2 O9 Ag6 14.7(5) . . . . ? Ag1 Ag2 O9 Ag6 111.9(3) . . . . ? Ag5' Ag2 O9 Ag6 79.1(10) . . . . ? Ag4 Ag2 O9 Ag6 175.0(3) 3_667 . . . ? Ag4' Ag2 O9 Ag6 172.6(3) 3_667 . . . ? Ag5 Ag2 O9 Ag6 86.2(5) . . . . ? O3 Ag6 O9 C16 -120(2) 1_565 . . . ? O1W Ag6 O9 C16 25.7(14) . . . . ? O4 Ag6 O9 C16 107.5(14) . . . . ? O3 Ag6 O9 Ag4 27.6(15) 1_565 . . . ? O1W Ag6 O9 Ag4 173.7(7) . . . . ? O4 Ag6 O9 Ag4 -104.4(5) . . . . ? O3 Ag6 O9 Ag2 118.5(15) 1_565 . . . ? O1W Ag6 O9 Ag2 -95.3(6) . . . . ? O4 Ag6 O9 Ag2 -13.4(4) . . . . ? O2 Ag1 C1 C2 67.9(12) . . . . ? O8 Ag1 C1 C2 -23.1(12) . . . . ? C1 Ag1 C1 C2 -157.0(13) 3_657 . . . ? Ag2 Ag1 C1 C2 -135.1(11) . . . . ? Ag4 Ag1 C1 C2 -101.5(10) 3_667 . . . ? Ag4' Ag1 C1 C2 -112.3(10) 3_667 . . . ? Ag4' Ag1 C1 C2 117.7(13) 1_545 . . . ? Ag1 Ag1 C1 C2 -157.0(13) 3_657 . . . ? Ag5 Ag1 C1 C2 148.3(10) . . . . ? Ag5' Ag1 C1 C2 153.2(10) . . . . ? O2 Ag1 C1 Ag4' -49.8(7) . . . 1_545 ? O8 Ag1 C1 Ag4' -140.7(5) . . . 1_545 ? C1 Ag1 C1 Ag4' 85.4(6) 3_657 . . 1_545 ? C2 Ag1 C1 Ag4' -117.7(12) . . . 1_545 ? Ag2 Ag1 C1 Ag4' 107.3(8) . . . 1_545 ? Ag4 Ag1 C1 Ag4' 140.9(4) 3_667 . . 1_545 ? Ag4' Ag1 C1 Ag4' 130.1(4) 3_667 . . 1_545 ? Ag1 Ag1 C1 Ag4' 85.4(6) 3_657 . . 1_545 ? Ag5 Ag1 C1 Ag4' 30.6(6) . . . 1_545 ? Ag5' Ag1 C1 Ag4' 35.5(7) . . . 1_545 ? O2 Ag1 C1 Ag2 -115.1(13) . . . 3_657 ? O8 Ag1 C1 Ag2 154.0(12) . . . 3_657 ? C1 Ag1 C1 Ag2 20.1(10) 3_657 . . 3_657 ? C2 Ag1 C1 Ag2 177(2) . . . 3_657 ? Ag2 Ag1 C1 Ag2 42(2) . . . 3_657 ? Ag4 Ag1 C1 Ag2 75.6(13) 3_667 . . 3_657 ? Ag4' Ag1 C1 Ag2 64.8(13) 3_667 . . 3_657 ? Ag4' Ag1 C1 Ag2 -65.3(12) 1_545 . . 3_657 ? Ag1 Ag1 C1 Ag2 20.1(10) 3_657 . . 3_657 ? Ag5 Ag1 C1 Ag2 -34.7(14) . . . 3_657 ? Ag5' Ag1 C1 Ag2 -29.8(15) . . . 3_657 ? O2 Ag1 C1 Ag1 -135.1(6) . . . 3_657 ? O8 Ag1 C1 Ag1 133.9(4) . . . 3_657 ? C1 Ag1 C1 Ag1 0.0 3_657 . . 3_657 ? C2 Ag1 C1 Ag1 157.0(13) . . . 3_657 ? Ag2 Ag1 C1 Ag1 21.9(12) . . . 3_657 ? Ag4 Ag1 C1 Ag1 55.5(4) 3_667 . . 3_657 ? Ag4' Ag1 C1 Ag1 44.7(3) 3_667 . . 3_657 ? Ag4' Ag1 C1 Ag1 -85.4(6) 1_545 . . 3_657 ? Ag5 Ag1 C1 Ag1 -54.7(4) . . . 3_657 ? Ag5' Ag1 C1 Ag1 -49.9(6) . . . 3_657 ? O2 Ag1 C1 Ag5' 147.3(10) . . . 3_657 ? O8 Ag1 C1 Ag5' 56.3(10) . . . 3_657 ? C1 Ag1 C1 Ag5' -77.6(9) 3_657 . . 3_657 ? C2 Ag1 C1 Ag5' 79.4(13) . . . 3_657 ? Ag2 Ag1 C1 Ag5' -55.7(16) . . . 3_657 ? Ag4 Ag1 C1 Ag5' -22.0(10) 3_667 . . 3_657 ? Ag4' Ag1 C1 Ag5' -32.8(9) 3_667 . . 3_657 ? Ag4' Ag1 C1 Ag5' -162.9(12) 1_545 . . 3_657 ? Ag1 Ag1 C1 Ag5' -77.6(9) 3_657 . . 3_657 ? Ag5 Ag1 C1 Ag5' -132.3(9) . . . 3_657 ? Ag5' Ag1 C1 Ag5' -127.4(8) . . . 3_657 ? O2 Ag1 C1 Ag5 150.6(7) . . . 3_657 ? O8 Ag1 C1 Ag5 59.6(7) . . . 3_657 ? C1 Ag1 C1 Ag5 -74.3(6) 3_657 . . 3_657 ? C2 Ag1 C1 Ag5 82.7(11) . . . 3_657 ? Ag2 Ag1 C1 Ag5 -52.4(14) . . . 3_657 ? Ag4 Ag1 C1 Ag5 -18.8(7) 3_667 . . 3_657 ? Ag4' Ag1 C1 Ag5 -29.6(6) 3_667 . . 3_657 ? Ag4' Ag1 C1 Ag5 -159.6(10) 1_545 . . 3_657 ? Ag1 Ag1 C1 Ag5 -74.3(6) 3_657 . . 3_657 ? Ag5 Ag1 C1 Ag5 -129.0(5) . . . 3_657 ? Ag5' Ag1 C1 Ag5 -124.1(6) . . . 3_657 ? O2 Ag1 C1 Ag4 -60.2(7) . . . 1_545 ? O8 Ag1 C1 Ag4 -151.1(5) . . . 1_545 ? C1 Ag1 C1 Ag4 75.0(5) 3_657 . . 1_545 ? C2 Ag1 C1 Ag4 -128.1(13) . . . 1_545 ? Ag2 Ag1 C1 Ag4 96.9(9) . . . 1_545 ? Ag4 Ag1 C1 Ag4 130.5(4) 3_667 . . 1_545 ? Ag4' Ag1 C1 Ag4 119.7(4) 3_667 . . 1_545 ? Ag4' Ag1 C1 Ag4 -10.4(2) 1_545 . . 1_545 ? Ag1 Ag1 C1 Ag4 75.0(5) 3_657 . . 1_545 ? Ag5 Ag1 C1 Ag4 20.2(6) . . . 1_545 ? Ag5' Ag1 C1 Ag4 25.1(7) . . . 1_545 ? Ag4' C1 C2 Ag5' -173.3(13) 1_545 . . 3_657 ? Ag2 C1 C2 Ag5' -62.3(15) 3_657 . . 3_657 ? Ag1 C1 C2 Ag5' 73(2) 3_657 . . 3_657 ? Ag5 C1 C2 Ag5' 12.3(5) 3_657 . . 3_657 ? Ag4 C1 C2 Ag5' -164.7(16) 1_545 . . 3_657 ? Ag1 C1 C2 Ag5' 115.5(8) . . . 3_657 ? Ag4' C1 C2 Ag5 174.4(12) 1_545 . . 3_657 ? Ag2 C1 C2 Ag5 -74.6(14) 3_657 . . 3_657 ? Ag1 C1 C2 Ag5 61(2) 3_657 . . 3_657 ? Ag5' C1 C2 Ag5 -12.3(5) 3_657 . . 3_657 ? Ag4 C1 C2 Ag5 -177.1(15) 1_545 . . 3_657 ? Ag1 C1 C2 Ag5 103.2(6) . . . 3_657 ? Ag4' C1 C2 Ag1 71.2(9) 1_545 . . . ? Ag2 C1 C2 Ag1 -177.8(16) 3_657 . . . ? Ag1 C1 C2 Ag1 -43(2) 3_657 . . . ? Ag5' C1 C2 Ag1 -115.5(8) 3_657 . . . ? Ag5 C1 C2 Ag1 -103.2(6) 3_657 . . . ? Ag4 C1 C2 Ag1 79.7(12) 1_545 . . . ? O2 Ag1 C2 C1 -115.6(12) . . . . ? O8 Ag1 C2 C1 157.9(11) . . . . ? C1 Ag1 C2 C1 29.4(16) 3_657 . . . ? Ag2 Ag1 C2 C1 116.6(15) . . . . ? Ag4 Ag1 C2 C1 84.5(11) 3_667 . . . ? Ag4' Ag1 C2 C1 71.3(11) 3_667 . . . ? Ag4' Ag1 C2 C1 -45.6(10) 1_545 . . . ? Ag1 Ag1 C2 C1 18.0(10) 3_657 . . . ? Ag5 Ag1 C2 C1 -42.4(12) . . . . ? Ag5' Ag1 C2 C1 -40.0(14) . . . . ? O2 Ag1 C2 C3 59.7(12) . . . . ? O8 Ag1 C2 C3 -26.8(11) . . . . ? C1 Ag1 C2 C3 -155.3(10) 3_657 . . . ? C1 Ag1 C2 C3 175.3(18) . . . . ? Ag2 Ag1 C2 C3 -68.1(16) . . . . ? Ag4 Ag1 C2 C3 -100.2(10) 3_667 . . . ? Ag4' Ag1 C2 C3 -113.4(10) 3_667 . . . ? Ag4' Ag1 C2 C3 129.7(11) 1_545 . . . ? Ag1 Ag1 C2 C3 -166.7(11) 3_657 . . . ? Ag5 Ag1 C2 C3 132.9(10) . . . . ? Ag5' Ag1 C2 C3 135.3(11) . . . . ? O2 Ag1 C2 Ag5' -175.7(9) . . . 3_657 ? O8 Ag1 C2 Ag5' 97.9(9) . . . 3_657 ? C1 Ag1 C2 Ag5' -30.7(10) 3_657 . . 3_657 ? C1 Ag1 C2 Ag5' -60.0(12) . . . 3_657 ? Ag2 Ag1 C2 Ag5' 56.5(18) . . . 3_657 ? Ag4 Ag1 C2 Ag5' 24.4(9) 3_667 . . 3_657 ? Ag4' Ag1 C2 Ag5' 11.2(9) 3_667 . . 3_657 ? Ag4' Ag1 C2 Ag5' -105.7(9) 1_545 . . 3_657 ? Ag1 Ag1 C2 Ag5' -42.1(8) 3_657 . . 3_657 ? Ag5 Ag1 C2 Ag5' -102.4(9) . . . 3_657 ? Ag5' Ag1 C2 Ag5' -100.1(9) . . . 3_657 ? O2 Ag1 C2 Ag5 179.7(7) . . . 3_657 ? O8 Ag1 C2 Ag5 93.2(6) . . . 3_657 ? C1 Ag1 C2 Ag5 -35.3(8) 3_657 . . 3_657 ? C1 Ag1 C2 Ag5 -64.7(11) . . . 3_657 ? Ag2 Ag1 C2 Ag5 51.9(16) . . . 3_657 ? Ag4 Ag1 C2 Ag5 19.8(6) 3_667 . . 3_657 ? Ag4' Ag1 C2 Ag5 6.6(6) 3_667 . . 3_657 ? Ag4' Ag1 C2 Ag5 -110.3(7) 1_545 . . 3_657 ? Ag1 Ag1 C2 Ag5 -46.7(5) 3_657 . . 3_657 ? Ag5 Ag1 C2 Ag5 -107.1(5) . . . 3_657 ? Ag5' Ag1 C2 Ag5 -104.7(8) . . . 3_657 ? N1 O1 C3 C2 -87.9(18) . . . . ? Ag5' C2 C3 O1 53.6(18) 3_657 . . . ? Ag5 C2 C3 O1 66.4(17) 3_657 . . . ? Ag1 C2 C3 O1 171.3(11) . . . . ? N2 N1 C4 C5 -1.8(18) . . . . ? O1 N1 C4 C5 -172.4(13) . . . . ? N2 N1 C4 C9 -176.6(18) . . . . ? O1 N1 C4 C9 13(3) . . . . ? N1 C4 C5 C6 177.0(15) . . . . ? C9 C4 C5 C6 -7(3) . . . . ? N1 C4 C5 N3 2.5(17) . . . . ? C9 C4 C5 N3 178.2(15) . . . . ? N2 N3 C5 C4 -2.4(17) . . . . ? Ag3 N3 C5 C4 -177.7(10) . . . . ? N2 N3 C5 C6 -176.3(16) . . . . ? Ag3 N3 C5 C6 8(3) . . . . ? C4 C5 C6 C7 4(3) . . . . ? N3 C5 C6 C7 177.2(17) . . . . ? C5 C6 C7 C8 -1(3) . . . . ? C6 C7 C8 C9 2(4) . . . . ? C7 C8 C9 C4 -4(3) . . . . ? N1 C4 C9 C8 -178.7(19) . . . . ? C5 C4 C9 C8 7(3) . . . . ? Ag6 O3 C10 O3' 115(11) 1_545 . . . ? Ag6 O3 C10 O2 -160(4) 1_545 . . . ? Ag6 O3 C10 C11 -4(9) 1_545 . . . ? Ag4' O3' C10 O3 70(5) 1_545 . . . ? Ag4' O3' C10 O2 -59(4) 1_545 . . . ? Ag4' O3' C10 C11 157.2(18) 1_545 . . . ? Ag1 O2 C10 O3 -38(6) . . . . ? Ag1 O2 C10 O3' 18(4) . . . . ? Ag1 O2 C10 C11 166.1(13) . . . . ? O3 C10 C11 F2 -103(5) . . . . ? O3' C10 C11 F2 -156(4) . . . . ? O2 C10 C11 F2 59(3) . . . . ? O3 C10 C11 F1 6(5) . . . . ? O3' C10 C11 F1 -47(4) . . . . ? O2 C10 C11 F1 168(2) . . . . ? O3 C10 C11 F3 114(4) . . . . ? O3' C10 C11 F3 61(5) . . . . ? O2 C10 C11 F3 -84(3) . . . . ? O3 C10 C11 F2' -173(4) . . . . ? O3' C10 C11 F2' 134(4) . . . . ? O2 C10 C11 F2' -11(3) . . . . ? O3 C10 C11 F1' -47(4) . . . . ? O3' C10 C11 F1' -100(5) . . . . ? O2 C10 C11 F1' 115(3) . . . . ? O3 C10 C11 F3' 61(4) . . . . ? O3' C10 C11 F3' 8(4) . . . . ? O2 C10 C11 F3' -137(2) . . . . ? Ag5' O5 C12 O4 6(3) . . . . ? Ag5 O5 C12 O4 -7(3) . . . . ? Ag5' O5 C12 C13 -172.4(15) . . . . ? Ag5 O5 C12 C13 175.1(13) . . . . ? Ag2 O4 C12 O5 -20(3) . . . . ? Ag6 O4 C12 O5 163.4(16) . . . . ? Ag2 O4 C12 C13 157.9(13) . . . . ? Ag6 O4 C12 C13 -18(3) . . . . ? O5 C12 C13 F6 -37(3) . . . . ? O4 C12 C13 F6 145(2) . . . . ? O5 C12 C13 F4 -158(3) . . . . ? O4 C12 C13 F4 24(3) . . . . ? O5 C12 C13 F5 72(3) . . . . ? O4 C12 C13 F5 -106(3) . . . . ? O5 C12 C13 F4' 137(3) . . . . ? O4 C12 C13 F4' -41(3) . . . . ? O5 C12 C13 F5' 17(3) . . . . ? O4 C12 C13 F5' -161(2) . . . . ? O5 C12 C13 F6' -97(2) . . . . ? O4 C12 C13 F6' 84(2) . . . . ? Ag4 O6 C14 O7' -28(5) . . . . ? Ag2 O6 C14 O7' 155(3) . . . . ? Ag4' O6 C14 O7' -39(5) . . . . ? Ag4 O6 C14 O7 28(4) . . . . ? Ag2 O6 C14 O7 -148(2) . . . . ? Ag4' O6 C14 O7 18(3) . . . . ? Ag4 O6 C14 C15 -179(2) . . . . ? Ag2 O6 C14 C15 4(4) . . . . ? Ag4' O6 C14 C15 170(2) . . . . ? Ag5 O7 C14 O7' 56(4) 1_565 . . . ? Ag5 O7 C14 O6 -57(6) 1_565 . . . ? Ag5 O7 C14 C15 150(4) 1_565 . . . ? O7' C14 C15 F8 80(4) . . . . ? O6 C14 C15 F8 -124(3) . . . . ? O7 C14 C15 F8 30(4) . . . . ? O7' C14 C15 F7 -155(3) . . . . ? O6 C14 C15 F7 1(4) . . . . ? O7 C14 C15 F7 156(3) . . . . ? O7' C14 C15 F9 -35(4) . . . . ? O6 C14 C15 F9 121(3) . . . . ? O7 C14 C15 F9 -85(4) . . . . ? Ag4 O9 C16 O8 152.0(17) . . . . ? Ag2 O9 C16 O8 -10(3) . . . . ? Ag6 O9 C16 O8 -102(2) . . . . ? Ag4 O9 C16 C17 -25(4) . . . . ? Ag2 O9 C16 C17 173.4(15) . . . . ? Ag6 O9 C16 C17 81.1(18) . . . . ? Ag1 O8 C16 O9 1(3) . . . . ? Ag1 O8 C16 C17 177.8(14) . . . . ? O9 C16 C17 F12 -158(2) . . . . ? O8 C16 C17 F12 25(3) . . . . ? O9 C16 C17 F11 72(3) . . . . ? O8 C16 C17 F11 -105(2) . . . . ? O9 C16 C17 F10 -37(3) . . . . ? O8 C16 C17 F10 146(2) . . . . ? C12 O5 Ag5 O7 -156.0(19) . . . 1_545 ? Ag5' O5 Ag5 O7 135(4) . . . 1_545 ? C12 O5 Ag5 C1 29(2) . . . 3_657 ? Ag5' O5 Ag5 C1 -40(3) . . . 3_657 ? C12 O5 Ag5 C2 65.2(19) . . . 3_657 ? Ag5' O5 Ag5 C2 -4(3) . . . 3_657 ? C12 O5 Ag5 Ag1 -27.0(18) . . . . ? Ag5' O5 Ag5 Ag1 -96(4) . . . . ? C12 O5 Ag5 Ag2 19.3(16) . . . . ? Ag5' O5 Ag5 Ag2 -50(3) . . . . ? O2 Ag1 Ag5 O7 71.6(14) . . . 1_545 ? O8 Ag1 Ag5 O7 139.9(14) . . . 1_545 ? C1 Ag1 Ag5 O7 -27.5(14) . . . 1_545 ? C2 Ag1 Ag5 O7 -8.4(14) . . . 1_545 ? Ag2 Ag1 Ag5 O7 179.1(13) . . . 1_545 ? Ag4 Ag1 Ag5 O7 -135.3(13) 3_667 . . 1_545 ? Ag4' Ag1 Ag5 O7 -124.0(13) 3_667 . . 1_545 ? Ag4' Ag1 Ag5 O7 -5.5(13) 1_545 . . 1_545 ? Ag1 Ag1 Ag5 O7 -66.5(13) 3_657 . . 1_545 ? Ag5' Ag1 Ag5 O7 -179(3) . . . 1_545 ? O2 Ag1 Ag5 O5 -45.3(8) . . . . ? O8 Ag1 Ag5 O5 22.9(10) . . . . ? C1 Ag1 Ag5 O5 122.5(10) 3_657 . . . ? C1 Ag1 Ag5 O5 -144.5(7) . . . . ? C2 Ag1 Ag5 O5 -125.4(8) . . . . ? Ag2 Ag1 Ag5 O5 62.1(7) . . . . ? Ag4 Ag1 Ag5 O5 107.7(6) 3_667 . . . ? Ag4' Ag1 Ag5 O5 119.0(7) 3_667 . . . ? Ag4' Ag1 Ag5 O5 -122.5(7) 1_545 . . . ? Ag1 Ag1 Ag5 O5 176.5(7) 3_657 . . . ? Ag5' Ag1 Ag5 O5 64(3) . . . . ? O2 Ag1 Ag5 C1 -167.9(8) . . . 3_657 ? O8 Ag1 Ag5 C1 -99.6(8) . . . 3_657 ? C1 Ag1 Ag5 C1 93.0(7) . . . 3_657 ? C2 Ag1 Ag5 C1 112.1(6) . . . 3_657 ? Ag2 Ag1 Ag5 C1 -60.4(6) . . . 3_657 ? Ag4 Ag1 Ag5 C1 -14.8(7) 3_667 . . 3_657 ? Ag4' Ag1 Ag5 C1 -3.5(6) 3_667 . . 3_657 ? Ag4' Ag1 Ag5 C1 115.0(6) 1_545 . . 3_657 ? Ag1 Ag1 Ag5 C1 54.0(6) 3_657 . . 3_657 ? Ag5' Ag1 Ag5 C1 -59(3) . . . 3_657 ? O2 Ag1 Ag5 C2 178.5(7) . . . 3_657 ? O8 Ag1 Ag5 C2 -113.3(6) . . . 3_657 ? C1 Ag1 Ag5 C2 -13.7(6) 3_657 . . 3_657 ? C1 Ag1 Ag5 C2 79.3(6) . . . 3_657 ? C2 Ag1 Ag5 C2 98.4(6) . . . 3_657 ? Ag2 Ag1 Ag5 C2 -74.1(5) . . . 3_657 ? Ag4 Ag1 Ag5 C2 -28.5(5) 3_667 . . 3_657 ? Ag4' Ag1 Ag5 C2 -17.2(5) 3_667 . . 3_657 ? Ag4' Ag1 Ag5 C2 101.4(5) 1_545 . . 3_657 ? Ag1 Ag1 Ag5 C2 40.4(5) 3_657 . . 3_657 ? Ag5' Ag1 Ag5 C2 -72(3) . . . 3_657 ? O2 Ag1 Ag5 Ag2 -107.4(5) . . . . ? O8 Ag1 Ag5 Ag2 -39.2(6) . . . . ? C1 Ag1 Ag5 Ag2 60.4(6) 3_657 . . . ? C1 Ag1 Ag5 Ag2 153.4(4) . . . . ? C2 Ag1 Ag5 Ag2 172.5(5) . . . . ? Ag4 Ag1 Ag5 Ag2 45.61(14) 3_667 . . . ? Ag4' Ag1 Ag5 Ag2 56.90(12) 3_667 . . . ? Ag4' Ag1 Ag5 Ag2 175.47(14) 1_545 . . . ? Ag1 Ag1 Ag5 Ag2 114.48(10) 3_657 . . . ? Ag5' Ag1 Ag5 Ag2 2(3) . . . . ? C1 Ag2 Ag5 O5 169.8(8) 3_657 . . . ? O6 Ag2 Ag5 O5 52.7(7) . . . . ? O4 Ag2 Ag5 O5 -16.3(5) . . . . ? O9 Ag2 Ag5 O5 -95.8(7) . . . . ? Ag1 Ag2 Ag5 O5 -125.2(5) . . . . ? Ag5' Ag2 Ag5 O5 57(3) . . . . ? Ag4 Ag2 Ag5 O5 -172.1(4) 3_667 . . . ? Ag4' Ag2 Ag5 O5 -178.2(5) 3_667 . . . ? O6 Ag2 Ag5 C1 -117.1(8) . . . 3_657 ? O4 Ag2 Ag5 C1 173.9(7) . . . 3_657 ? O9 Ag2 Ag5 C1 94.4(7) . . . 3_657 ? Ag1 Ag2 Ag5 C1 65.0(6) . . . 3_657 ? Ag5' Ag2 Ag5 C1 -113(4) . . . 3_657 ? Ag4 Ag2 Ag5 C1 18.1(6) 3_667 . . 3_657 ? Ag4' Ag2 Ag5 C1 12.0(6) 3_667 . . 3_657 ? C1 Ag2 Ag5 C2 20.9(5) 3_657 . . 3_657 ? O6 Ag2 Ag5 C2 -96.2(7) . . . 3_657 ? O4 Ag2 Ag5 C2 -165.2(6) . . . 3_657 ? O9 Ag2 Ag5 C2 115.3(6) . . . 3_657 ? Ag1 Ag2 Ag5 C2 85.9(4) . . . 3_657 ? Ag5' Ag2 Ag5 C2 -92(3) . . . 3_657 ? Ag4 Ag2 Ag5 C2 39.0(5) 3_667 . . 3_657 ? Ag4' Ag2 Ag5 C2 32.9(4) 3_667 . . 3_657 ? C1 Ag2 Ag5 Ag1 -65.0(6) 3_657 . . . ? O6 Ag2 Ag5 Ag1 177.9(6) . . . . ? O4 Ag2 Ag5 Ag1 108.9(4) . . . . ? O9 Ag2 Ag5 Ag1 29.4(5) . . . . ? Ag5' Ag2 Ag5 Ag1 -178(4) . . . . ? Ag4 Ag2 Ag5 Ag1 -46.95(15) 3_667 . . . ? Ag4' Ag2 Ag5 Ag1 -53.06(12) 3_667 . . . ? C12 O5 Ag5' C1 -1(3) . . . 3_657 ? Ag5 O5 Ag5' C1 116(4) . . . 3_657 ? C12 O5 Ag5' N2 125.5(16) . . . 3_657 ? Ag5 O5 Ag5' N2 -118(4) . . . 3_657 ? C12 O5 Ag5' C2 55(4) . . . 3_657 ? Ag5 O5 Ag5' C2 171(7) . . . 3_657 ? C12 O5 Ag5' Ag2 6.7(17) . . . . ? Ag5 O5 Ag5' Ag2 123(4) . . . . ? C12 O5 Ag5' Ag1 -46.9(19) . . . . ? Ag5 O5 Ag5' Ag1 69(3) . . . . ? C1 Ag2 Ag5' O5 -174.7(12) 3_657 . . . ? O6 Ag2 Ag5' O5 63.0(10) . . . . ? O4 Ag2 Ag5' O5 -9.1(7) . . . . ? O9 Ag2 Ag5' O5 -80.4(13) . . . . ? Ag1 Ag2 Ag5' O5 -115.3(8) . . . . ? Ag4 Ag2 Ag5' O5 -164.3(7) 3_667 . . . ? Ag4' Ag2 Ag5' O5 -169.2(7) 3_667 . . . ? Ag5 Ag2 Ag5' O5 -113(4) . . . . ? O6 Ag2 Ag5' C1 -122.3(8) . . . 3_657 ? O4 Ag2 Ag5' C1 165.6(8) . . . 3_657 ? O9 Ag2 Ag5' C1 94.3(10) . . . 3_657 ? Ag1 Ag2 Ag5' C1 59.4(6) . . . 3_657 ? Ag4 Ag2 Ag5' C1 10.4(7) 3_667 . . 3_657 ? Ag4' Ag2 Ag5' C1 5.5(6) 3_667 . . 3_657 ? Ag5 Ag2 Ag5' C1 61(3) . . . 3_657 ? C1 Ag2 Ag5' N2 89.4(10) 3_657 . . 3_657 ? O6 Ag2 Ag5' N2 -32.9(12) . . . 3_657 ? O4 Ag2 Ag5' N2 -105.0(10) . . . 3_657 ? O9 Ag2 Ag5' N2 -176.3(7) . . . 3_657 ? Ag1 Ag2 Ag5' N2 148.8(10) . . . 3_657 ? Ag4 Ag2 Ag5' N2 99.8(9) 3_667 . . 3_657 ? Ag4' Ag2 Ag5' N2 94.9(9) 3_667 . . 3_657 ? Ag5 Ag2 Ag5' N2 151(4) . . . 3_657 ? C1 Ag2 Ag5' C2 19.4(5) 3_657 . . 3_657 ? O6 Ag2 Ag5' C2 -102.8(8) . . . 3_657 ? O4 Ag2 Ag5' C2 -175.0(8) . . . 3_657 ? O9 Ag2 Ag5' C2 113.7(9) . . . 3_657 ? Ag1 Ag2 Ag5' C2 78.9(5) . . . 3_657 ? Ag4 Ag2 Ag5' C2 29.9(7) 3_667 . . 3_657 ? Ag4' Ag2 Ag5' C2 25.0(6) 3_667 . . 3_657 ? Ag5 Ag2 Ag5' C2 81(3) . . . 3_657 ? C1 Ag2 Ag5' Ag1 -59.4(6) 3_657 . . . ? O6 Ag2 Ag5' Ag1 178.3(5) . . . . ? O4 Ag2 Ag5' Ag1 106.2(4) . . . . ? O9 Ag2 Ag5' Ag1 34.9(10) . . . . ? Ag4 Ag2 Ag5' Ag1 -49.0(3) 3_667 . . . ? Ag4' Ag2 Ag5' Ag1 -53.9(2) 3_667 . . . ? Ag5 Ag2 Ag5' Ag1 2(3) . . . . ? O2 Ag1 Ag5' O5 -30.4(11) . . . . ? O8 Ag1 Ag5' O5 45.2(14) . . . . ? C1 Ag1 Ag5' O5 145.9(16) 3_657 . . . ? C1 Ag1 Ag5' O5 -129.9(11) . . . . ? C2 Ag1 Ag5' O5 -110.5(13) . . . . ? Ag2 Ag1 Ag5' O5 78.6(11) . . . . ? Ag4 Ag1 Ag5' O5 123.2(11) 3_667 . . . ? Ag4' Ag1 Ag5' O5 135.1(11) 3_667 . . . ? Ag4' Ag1 Ag5' O5 -105.5(11) 1_545 . . . ? Ag1 Ag1 Ag5' O5 -165.7(11) 3_657 . . . ? Ag5 Ag1 Ag5' O5 -100(3) . . . . ? O2 Ag1 Ag5' C1 -176.3(10) . . . 3_657 ? O8 Ag1 Ag5' C1 -100.7(9) . . . 3_657 ? C1 Ag1 Ag5' C1 84.2(9) . . . 3_657 ? C2 Ag1 Ag5' C1 103.7(8) . . . 3_657 ? Ag2 Ag1 Ag5' C1 -67.3(8) . . . 3_657 ? Ag4 Ag1 Ag5' C1 -22.7(8) 3_667 . . 3_657 ? Ag4' Ag1 Ag5' C1 -10.8(8) 3_667 . . 3_657 ? Ag4' Ag1 Ag5' C1 108.6(8) 1_545 . . 3_657 ? Ag1 Ag1 Ag5' C1 48.4(8) 3_657 . . 3_657 ? Ag5 Ag1 Ag5' C1 115(3) . . . 3_657 ? O2 Ag1 Ag5' N2 166(3) . . . 3_657 ? O8 Ag1 Ag5' N2 -118(2) . . . 3_657 ? C1 Ag1 Ag5' N2 -17(2) 3_657 . . 3_657 ? C1 Ag1 Ag5' N2 67(3) . . . 3_657 ? C2 Ag1 Ag5' N2 86(3) . . . 3_657 ? Ag2 Ag1 Ag5' N2 -85(2) . . . 3_657 ? Ag4 Ag1 Ag5' N2 -40(3) 3_667 . . 3_657 ? Ag4' Ag1 Ag5' N2 -28(3) 3_667 . . 3_657 ? Ag4' Ag1 Ag5' N2 91(3) 1_545 . . 3_657 ? Ag1 Ag1 Ag5' N2 31(2) 3_657 . . 3_657 ? Ag5 Ag1 Ag5' N2 97(4) . . . 3_657 ? O2 Ag1 Ag5' C2 168.4(9) . . . 3_657 ? O8 Ag1 Ag5' C2 -116.0(7) . . . 3_657 ? C1 Ag1 Ag5' C2 -15.3(6) 3_657 . . 3_657 ? C1 Ag1 Ag5' C2 68.9(8) . . . 3_657 ? C2 Ag1 Ag5' C2 88.4(9) . . . 3_657 ? Ag2 Ag1 Ag5' C2 -82.6(6) . . . 3_657 ? Ag4 Ag1 Ag5' C2 -38.0(7) 3_667 . . 3_657 ? Ag4' Ag1 Ag5' C2 -26.1(7) 3_667 . . 3_657 ? Ag4' Ag1 Ag5' C2 93.3(7) 1_545 . . 3_657 ? Ag1 Ag1 Ag5' C2 33.1(6) 3_657 . . 3_657 ? Ag5 Ag1 Ag5' C2 99(3) . . . 3_657 ? O2 Ag1 Ag5' Ag2 -109.1(6) . . . . ? O8 Ag1 Ag5' Ag2 -33.4(7) . . . . ? C1 Ag1 Ag5' Ag2 67.3(7) 3_657 . . . ? C1 Ag1 Ag5' Ag2 151.4(5) . . . . ? C2 Ag1 Ag5' Ag2 170.9(6) . . . . ? Ag4 Ag1 Ag5' Ag2 44.6(3) 3_667 . . . ? Ag4' Ag1 Ag5' Ag2 56.4(3) 3_667 . . . ? Ag4' Ag1 Ag5' Ag2 175.8(3) 1_545 . . . ? Ag1 Ag1 Ag5' Ag2 115.7(3) 3_657 . . . ? Ag5 Ag1 Ag5' Ag2 -178(3) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 0.902 _refine_diff_density_min -1.272 _refine_diff_density_rms 0.148 _database_code_depnum_ccdc_archive 'CCDC 913998' ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_lb #TrackingRef '3.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C83 H46 Ag14 F30 N4 O27 S4' _chemical_formula_weight 3739.66 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' 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 'P 21/c' _symmetry_space_group_name_Hall '-P 2ybc' 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 8.0193(16) _cell_length_b 24.904(5) _cell_length_c 26.491(5) _cell_angle_alpha 90.00 _cell_angle_beta 93.01(3) _cell_angle_gamma 90.00 _cell_volume 5283.4(18) _cell_formula_units_Z 2 _cell_measurement_temperature 296 _cell_measurement_reflns_used 9092 _cell_measurement_theta_min 1.7431 _cell_measurement_theta_max 29.1248 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.16 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.351 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3560 _exptl_absorpt_coefficient_mu 2.735 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6107 _exptl_absorpt_correction_T_max 0.6687 _exptl_absorpt_process_details SADABS(2009) _exptl_special_details ; ? ; _diffrn_ambient_temperature 296 _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_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 53009 _diffrn_reflns_av_R_equivalents 0.0878 _diffrn_reflns_av_sigmaI/netI 0.0668 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -29 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_theta_min 2.45 _diffrn_reflns_theta_max 25.00 _reflns_number_total 9307 _reflns_number_gt 7922 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.1789P)^2^+30.4431P] 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 9307 _refine_ls_number_parameters 749 _refine_ls_number_restraints 13 _refine_ls_R_factor_all 0.1170 _refine_ls_R_factor_gt 0.0988 _refine_ls_wR_factor_ref 0.3087 _refine_ls_wR_factor_gt 0.2915 _refine_ls_goodness_of_fit_ref 1.116 _refine_ls_restrained_S_all 1.115 _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 C23 C 0.273(2) 0.8692(8) 0.2941(7) 0.066(5) Uani 1 1 d . . . H23 H 0.3213 0.8958 0.3148 0.079 Uiso 1 1 calc R . . C22 C 0.272(2) 0.8192(9) 0.3100(8) 0.073(6) Uani 1 1 d . . . H22 H 0.3245 0.8099 0.3409 0.087 Uiso 1 1 calc R . . C21 C 0.190(3) 0.7799(7) 0.2797(7) 0.065(5) Uani 1 1 d . . . H21 H 0.1845 0.7451 0.2921 0.078 Uiso 1 1 calc R . . C20 C 0.119(2) 0.7904(6) 0.2336(6) 0.048(4) Uani 1 1 d . . . O2 O 0.0345(16) 0.7549(4) 0.2019(4) 0.057(3) Uani 1 1 d . . . C6 C 0.027(2) 0.7004(6) 0.2201(7) 0.056(4) Uani 1 1 d . . . H6A H -0.0317 0.6992 0.2511 0.067 Uiso 1 1 calc R . . H6B H 0.1397 0.6869 0.2273 0.067 Uiso 1 1 calc R . . C4 C -0.0579(19) 0.6674(6) 0.1819(6) 0.041(3) Uani 1 1 d . . . C3 C -0.1280(17) 0.6336(6) 0.1551(6) 0.041(3) Uani 1 1 d . . . Ag1 Ag 0.07768(18) 0.46979(5) 0.28605(5) 0.0523(4) Uani 1 1 d . . . Ag2 Ag -0.36992(15) 0.59291(6) 0.15424(5) 0.0540(4) Uani 1 1 d . . . Ag3 Ag -0.13015(17) 0.60009(6) 0.07927(5) 0.0568(4) Uani 1 1 d . . . Ag4 Ag -0.06162(16) 0.53919(6) 0.17589(5) 0.0600(4) Uani 1 1 d . . . Ag5 Ag 0.25615(17) 0.55735(5) 0.22198(6) 0.0593(4) Uani 1 1 d . . . Ag6 Ag -0.23390(19) 0.71454(5) 0.11521(5) 0.0596(4) Uani 1 1 d . . . Ag7 Ag 0.23653(19) 0.50337(6) 0.12238(5) 0.0619(4) Uani 1 1 d . . . O1 O 0.2622(15) 0.3528(4) 0.2450(4) 0.053(3) Uani 1 1 d . . . O3 O -0.4462(12) 0.5628(5) 0.2351(4) 0.048(3) Uani 1 1 d . . . O4 O -0.2010(17) 0.5227(6) 0.2510(5) 0.077(4) Uani 1 1 d . . . O5 O -0.1580(19) 0.7191(5) 0.0310(5) 0.068(4) Uani 1 1 d . . . O6 O -0.1496(17) 0.6356(5) 0.0001(4) 0.065(3) Uani 1 1 d . . . O7 O 0.2115(16) 0.6164(4) 0.2839(4) 0.056(3) Uani 1 1 d . . . O8 O 0.115(2) 0.5506(5) 0.3310(5) 0.078(4) Uani 1 1 d . . . O9 O 0.1902(17) 0.5847(5) 0.0796(5) 0.065(3) Uani 1 1 d . . . O10 O 0.3510(14) 0.6193(5) 0.1429(5) 0.059(3) Uani 1 1 d . . . O11 O 0.5329(14) 0.5111(5) 0.1122(5) 0.061(3) Uani 1 1 d . . . O12 O 0.788(3) 0.4718(11) 0.1192(9) 0.054(10) Uani 0.51(5) 1 d P . 1 O12' O 0.797(4) 0.5048(14) 0.0837(18) 0.093(18) Uani 0.49(5) 1 d P . 2 O1W O 0.0799(19) 0.4446(7) 0.0679(6) 0.095(5) Uani 1 1 d . . . H1WB H 0.0317 0.4212 0.0853 0.143 Uiso 1 1 d R . . H1WA H 0.0070 0.4627 0.0558 0.143 Uiso 1 1 d R . . O2W O -0.149(4) 0.5226(11) 0.0248(12) 0.091(10) Uani 0.50 1 d P . . H2WB H -0.2459 0.5090 0.0264 0.136 Uiso 0.50 1 d PR . . H2WA H -0.1357 0.5309 -0.0019 0.136 Uiso 0.50 1 d PR . . S1 S 0.4771(6) 0.37684(17) 0.33745(17) 0.0573(11) Uani 1 1 d . . . S2 S 0.0521(7) 0.81775(17) 0.11326(17) 0.0595(12) Uani 1 1 d . . . C1 C 0.1489(18) 0.4804(5) 0.2008(5) 0.038(3) Uani 1 1 d D . . C2 C 0.1664(18) 0.4325(5) 0.2047(5) 0.039(3) Uani 1 1 d D . . C5 C 0.195(2) 0.3741(6) 0.1990(6) 0.051(4) Uani 1 1 d . . . H5A H 0.0899 0.3564 0.1896 0.062 Uiso 1 1 calc R . . H5B H 0.2712 0.3679 0.1724 0.062 Uiso 1 1 calc R . . C7 C 0.319(2) 0.3007(6) 0.2433(6) 0.048(4) Uani 1 1 d . . . C8 C 0.301(2) 0.2682(6) 0.1999(7) 0.058(5) Uani 1 1 d . . . H8 H 0.2476 0.2817 0.1706 0.070 Uiso 1 1 calc R . . C9 C 0.363(3) 0.2174(6) 0.2004(7) 0.062(5) Uani 1 1 d . . . H9 H 0.3511 0.1962 0.1716 0.074 Uiso 1 1 calc R . . C10 C 0.441(3) 0.1979(7) 0.2431(7) 0.061(5) Uani 1 1 d . . . H10 H 0.4852 0.1633 0.2426 0.074 Uiso 1 1 calc R . . C11 C 0.458(2) 0.2271(6) 0.2867(6) 0.049(4) Uani 1 1 d . . . H11 H 0.5121 0.2125 0.3155 0.059 Uiso 1 1 calc R . . C12 C 0.3940(16) 0.2788(5) 0.2875(6) 0.038(3) Uani 1 1 d . . . C13 C 0.4154(19) 0.3103(6) 0.3349(6) 0.045(4) Uani 1 1 d . . . C14 C 0.4481(19) 0.3224(7) 0.4183(6) 0.045(4) Uani 1 1 d . . . C15 C 0.503(2) 0.3726(7) 0.4020(7) 0.059(5) Uani 1 1 d . . . C16 C 0.567(3) 0.4100(9) 0.4373(8) 0.077(6) Uani 1 1 d . . . H16 H 0.6028 0.4436 0.4268 0.092 Uiso 1 1 calc R . . C17 C 0.577(3) 0.3969(8) 0.4860(9) 0.085(7) Uani 1 1 d . . . H17 H 0.6197 0.4221 0.5093 0.102 Uiso 1 1 calc R . . C18 C 0.528(3) 0.3485(11) 0.5033(9) 0.096(8) Uani 1 1 d . . . H18 H 0.5349 0.3411 0.5377 0.115 Uiso 1 1 calc R . . C19 C 0.465(3) 0.3092(9) 0.4685(7) 0.071(6) Uani 1 1 d . . . H19 H 0.4355 0.2752 0.4795 0.085 Uiso 1 1 calc R . . C24 C 0.204(2) 0.8824(7) 0.2465(7) 0.058(5) Uani 1 1 d . . . H24 H 0.2110 0.9176 0.2352 0.070 Uiso 1 1 calc R . . C25 C 0.1220(19) 0.8437(6) 0.2149(6) 0.043(3) Uani 1 1 d . . . C26 C 0.049(2) 0.8610(6) 0.1653(6) 0.048(4) Uani 1 1 d . . . C27 C -0.048(2) 0.9134(6) 0.1054(7) 0.051(4) Uani 1 1 d . . . C28 C -0.025(2) 0.8687(6) 0.0750(7) 0.052(4) Uani 1 1 d . . . C29 C -0.062(3) 0.8690(10) 0.0214(7) 0.079(6) Uani 1 1 d . . . H29 H -0.0464 0.8389 0.0016 0.095 Uiso 1 1 calc R . . C30 C -0.121(3) 0.9158(8) 0.0015(8) 0.067(5) Uani 1 1 d . . . H30 H -0.1465 0.9176 -0.0332 0.081 Uiso 1 1 calc R . . C31 C -0.145(3) 0.9609(8) 0.0304(7) 0.075(6) Uani 1 1 d . . . H31 H -0.1858 0.9922 0.0151 0.090 Uiso 1 1 calc R . . C32 C -0.111(2) 0.9598(8) 0.0812(6) 0.060(5) Uani 1 1 d . . . H32 H -0.1288 0.9905 0.1002 0.071 Uiso 1 1 calc R . . C33 C 0.158(2) 0.5966(7) 0.3220(7) 0.053(4) Uani 1 1 d . . . C34 C 0.138(3) 0.6370(9) 0.3666(8) 0.077(6) Uani 1 1 d . . . C35 C -0.338(2) 0.5399(6) 0.2613(6) 0.048(4) Uani 1 1 d . . . C36 C -0.382(2) 0.5319(8) 0.3183(7) 0.061(5) Uani 1 1 d U . . C37 C 0.636(3) 0.4824(11) 0.0976(10) 0.103(10) Uani 1 1 d . . . C38 C 0.578(3) 0.4320(12) 0.0678(11) 0.094(8) Uani 1 1 d . . . C39 C 0.276(2) 0.6196(7) 0.0993(7) 0.049(4) Uani 1 1 d . . . C40 C 0.308(3) 0.6700(7) 0.0692(8) 0.073(6) Uani 1 1 d . . . C41 C -0.144(3) 0.6870(8) -0.0035(7) 0.065(5) Uani 1 1 d . . . C42 C -0.129(4) 0.7060(13) -0.0534(12) 0.041(7) Uani 0.50 1 d PU . . N1 N 0.3988(15) 0.2874(5) 0.3783(5) 0.046(3) Uani 1 1 d . . . N2 N -0.0068(18) 0.9087(5) 0.1553(6) 0.051(3) Uani 1 1 d . . . F1 F -0.076(4) 0.6776(7) -0.0877(5) 0.179(11) Uani 1 1 d . . . F2 F -0.250(5) 0.7314(18) -0.0713(8) 0.30(3) Uani 1 1 d . . . F3 F -0.029(6) 0.7444(11) -0.0542(7) 0.259(19) Uani 1 1 d . . . F4 F 0.144(3) 0.6137(8) 0.4091(5) 0.148(8) Uani 1 1 d . . . F5 F 0.255(3) 0.6719(7) 0.3691(6) 0.172(11) Uani 1 1 d . . . F6 F 0.006(3) 0.6646(10) 0.3582(8) 0.186(11) Uani 1 1 d . . . F7 F -0.2772(17) 0.5020(7) 0.3444(4) 0.112(6) Uani 1 1 d . . . F8 F -0.5274(18) 0.5090(7) 0.3217(5) 0.112(5) Uani 1 1 d . . . F9 F -0.391(3) 0.5783(6) 0.3402(5) 0.145(8) Uani 1 1 d . . . F10 F 0.472(3) 0.4037(7) 0.0936(8) 0.136(6) Uani 1 1 d . . . F11 F 0.503(3) 0.4420(8) 0.0268(7) 0.172(10) Uani 1 1 d . . . F12 F 0.694(2) 0.3975(7) 0.0619(9) 0.161(9) Uani 1 1 d . . . F13 F 0.217(2) 0.6721(6) 0.0265(5) 0.105(5) Uani 1 1 d . . . F14 F 0.4649(16) 0.6712(6) 0.0557(6) 0.103(5) Uani 1 1 d . . . F15 F 0.285(2) 0.7136(5) 0.0943(6) 0.110(5) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C23 0.066(12) 0.061(12) 0.065(11) -0.019(9) -0.044(9) -0.004(9) C22 0.053(11) 0.083(15) 0.077(13) -0.006(11) -0.039(10) 0.009(10) C21 0.076(13) 0.045(10) 0.073(13) 0.001(9) -0.007(10) 0.014(9) C20 0.052(9) 0.045(9) 0.047(9) -0.007(7) -0.011(7) 0.003(7) O2 0.075(8) 0.038(6) 0.057(7) -0.004(5) -0.010(6) -0.002(6) C6 0.068(11) 0.034(8) 0.065(11) -0.006(8) -0.014(9) 0.008(8) C4 0.043(8) 0.029(7) 0.050(9) 0.009(7) -0.005(7) 0.015(7) C3 0.031(7) 0.035(8) 0.056(9) 0.010(7) 0.007(6) -0.004(6) Ag1 0.0651(9) 0.0423(7) 0.0499(7) 0.0106(5) 0.0073(6) -0.0053(6) Ag2 0.0317(6) 0.0632(9) 0.0669(9) 0.0114(6) -0.0003(5) -0.0014(5) Ag3 0.0508(8) 0.0614(9) 0.0581(8) 0.0040(6) 0.0024(6) 0.0016(6) Ag4 0.0400(7) 0.0695(9) 0.0711(9) 0.0255(7) 0.0082(6) 0.0182(6) Ag5 0.0528(8) 0.0454(8) 0.0790(10) -0.0083(6) -0.0020(7) -0.0096(6) Ag6 0.0763(10) 0.0485(8) 0.0535(8) -0.0001(6) -0.0012(7) 0.0252(7) Ag7 0.0667(9) 0.0617(9) 0.0590(8) 0.0020(6) 0.0188(7) -0.0066(7) O1 0.078(8) 0.029(5) 0.051(6) 0.002(5) -0.009(6) 0.018(5) O3 0.029(5) 0.059(7) 0.056(6) 0.012(5) -0.004(5) 0.000(5) O4 0.069(9) 0.094(10) 0.071(8) 0.029(7) 0.030(7) 0.044(8) O5 0.095(10) 0.050(7) 0.061(8) -0.012(6) 0.006(7) 0.015(7) O6 0.080(9) 0.058(8) 0.055(7) -0.012(6) -0.009(6) 0.018(7) O7 0.084(9) 0.042(6) 0.042(6) 0.012(5) 0.014(6) 0.007(6) O8 0.122(13) 0.055(8) 0.060(8) -0.002(6) 0.029(8) -0.019(8) O9 0.066(8) 0.050(7) 0.077(9) -0.005(6) -0.003(7) 0.000(6) O10 0.043(6) 0.059(8) 0.075(8) 0.012(6) -0.005(6) 0.008(6) O11 0.036(6) 0.066(8) 0.080(8) -0.029(6) 0.004(6) -0.003(6) O12 0.056(15) 0.056(19) 0.049(16) -0.022(13) 0.004(10) 0.006(12) O12' 0.062(19) 0.06(2) 0.16(4) -0.03(3) 0.05(2) -0.024(15) O1W 0.078(10) 0.094(12) 0.113(12) -0.052(10) -0.006(9) -0.005(9) O2W 0.12(3) 0.052(16) 0.10(2) -0.005(15) -0.01(2) 0.025(17) S1 0.072(3) 0.041(2) 0.059(3) 0.0057(19) 0.007(2) -0.008(2) S2 0.082(3) 0.035(2) 0.063(3) -0.0181(19) 0.013(2) 0.004(2) C1 0.039(8) 0.039(8) 0.037(8) 0.001(6) 0.012(6) 0.002(6) C2 0.040(8) 0.051(9) 0.030(7) 0.012(6) 0.017(6) 0.021(7) C5 0.068(11) 0.035(8) 0.052(9) 0.001(7) 0.012(8) 0.022(8) C7 0.057(10) 0.031(8) 0.054(9) 0.006(7) 0.004(8) 0.007(7) C8 0.082(13) 0.034(8) 0.058(10) 0.001(7) 0.001(9) 0.010(8) C9 0.102(15) 0.024(8) 0.061(11) 0.002(7) 0.016(10) 0.010(9) C10 0.081(13) 0.036(9) 0.067(12) 0.005(8) 0.006(10) 0.005(9) C11 0.057(10) 0.033(8) 0.057(10) 0.009(7) 0.004(8) -0.003(7) C12 0.025(7) 0.028(7) 0.061(9) 0.000(6) -0.005(6) -0.001(5) C13 0.041(8) 0.042(9) 0.052(9) 0.003(7) 0.003(7) 0.005(7) C14 0.041(8) 0.053(9) 0.042(9) 0.012(7) 0.001(6) -0.020(7) C15 0.068(12) 0.048(10) 0.061(11) -0.015(8) 0.009(9) -0.021(9) C16 0.071(14) 0.081(15) 0.076(14) 0.015(11) -0.014(11) -0.013(11) C17 0.106(18) 0.051(12) 0.096(17) -0.013(11) -0.024(14) -0.039(12) C18 0.11(2) 0.10(2) 0.076(15) -0.020(13) 0.007(13) -0.026(16) C19 0.086(14) 0.074(13) 0.051(11) 0.012(9) -0.016(10) -0.023(11) C24 0.046(10) 0.040(9) 0.089(13) -0.021(9) 0.006(9) -0.003(7) C25 0.040(8) 0.040(8) 0.049(9) -0.012(7) 0.009(7) 0.004(7) C26 0.062(10) 0.039(9) 0.046(9) -0.014(7) 0.026(8) -0.018(8) C27 0.046(9) 0.041(9) 0.068(11) -0.011(8) 0.023(8) -0.004(7) C28 0.055(10) 0.037(8) 0.067(11) -0.011(8) 0.009(8) 0.009(7) C29 0.096(16) 0.095(16) 0.047(11) -0.024(11) 0.005(10) 0.017(13) C30 0.087(15) 0.055(11) 0.061(11) 0.012(9) 0.013(10) 0.015(10) C31 0.115(18) 0.063(12) 0.048(11) 0.008(9) 0.010(11) 0.025(12) C32 0.064(11) 0.068(12) 0.047(10) -0.004(8) 0.001(8) 0.008(9) C33 0.053(10) 0.042(9) 0.061(11) 0.008(8) -0.014(8) -0.006(8) C34 0.097(17) 0.061(13) 0.071(14) 0.000(11) -0.006(12) -0.005(12) C35 0.044(9) 0.043(9) 0.059(10) -0.003(7) 0.012(8) 0.003(7) C36 0.063(8) 0.059(8) 0.061(8) 0.001(7) 0.008(7) 0.006(7) C37 0.045(11) 0.14(2) 0.12(2) -0.096(18) -0.024(12) 0.022(13) C38 0.064(14) 0.10(2) 0.12(2) -0.044(17) 0.014(14) 0.002(14) C39 0.037(8) 0.042(9) 0.069(11) -0.008(8) -0.002(8) 0.012(7) C40 0.074(14) 0.047(11) 0.092(15) -0.001(10) -0.051(12) -0.012(9) C41 0.091(14) 0.056(11) 0.045(10) -0.014(9) -0.019(9) 0.023(10) C42 0.042(7) 0.041(7) 0.041(7) 0.000(2) 0.002(2) 0.000(2) N1 0.037(7) 0.056(8) 0.043(7) 0.007(6) -0.014(5) -0.011(6) N2 0.053(8) 0.033(7) 0.067(10) 0.008(6) 0.011(7) -0.004(6) F1 0.37(3) 0.114(13) 0.058(8) 0.006(8) 0.053(13) 0.066(17) F2 0.34(4) 0.47(6) 0.096(15) 0.05(2) 0.00(2) 0.32(4) F3 0.53(6) 0.18(2) 0.073(12) 0.022(14) 0.11(2) -0.03(3) F4 0.26(2) 0.140(15) 0.050(8) 0.001(9) 0.031(11) -0.030(15) F5 0.30(3) 0.111(13) 0.100(12) -0.037(10) 0.026(15) -0.105(17) F6 0.17(2) 0.22(2) 0.161(17) -0.099(17) -0.029(15) 0.110(19) F7 0.085(9) 0.187(16) 0.064(7) 0.055(9) 0.006(6) 0.060(10) F8 0.090(10) 0.155(14) 0.093(10) 0.039(9) 0.031(8) -0.019(10) F9 0.30(3) 0.080(10) 0.061(8) 0.002(7) 0.032(11) 0.012(13) F10 0.134(15) 0.113(13) 0.163(16) -0.048(11) 0.025(13) -0.024(11) F11 0.25(3) 0.122(15) 0.132(15) -0.029(12) -0.104(17) -0.038(15) F12 0.092(12) 0.126(14) 0.27(2) -0.113(16) 0.017(14) 0.017(10) F13 0.116(11) 0.108(11) 0.090(9) 0.029(8) -0.027(8) -0.008(9) F14 0.057(8) 0.117(11) 0.135(12) 0.039(9) 0.006(7) -0.023(7) F15 0.144(14) 0.042(7) 0.144(12) -0.004(7) 0.001(10) 0.013(7) _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 C23 C22 1.31(3) . ? C23 C24 1.39(3) . ? C23 H23 0.9300 . ? C22 C21 1.41(3) . ? C22 H22 0.9300 . ? C21 C20 1.34(2) . ? C21 H21 0.9300 . ? C20 O2 1.376(19) . ? C20 C25 1.42(2) . ? O2 C6 1.442(19) . ? C6 C4 1.45(2) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C4 C3 1.22(2) . ? C4 Ag6 2.496(13) . ? C3 Ag3 2.174(16) . ? C3 Ag2 2.187(14) . ? C3 Ag6 2.410(14) . ? C3 Ag4 2.467(15) . ? Ag1 N2 2.268(14) 2_545 ? Ag1 O8 2.350(13) . ? Ag1 C1 2.375(13) . ? Ag1 C2 2.484(13) . ? Ag1 Ag5 3.1526(19) . ? Ag2 O10 2.337(11) 1_455 ? Ag2 O3 2.379(11) . ? Ag2 O11 2.431(11) 1_455 ? Ag2 Ag3 2.842(2) . ? Ag2 Ag4 2.8431(18) . ? Ag3 O6 2.274(12) . ? Ag3 O2W 2.41(3) . ? Ag3 O12' 2.45(3) 1_455 ? Ag3 O9 2.597(13) . ? Ag3 Ag4 3.0012(19) . ? Ag3 Ag6 3.132(2) . ? Ag4 C1 2.304(13) . ? Ag4 O4 2.368(12) . ? Ag4 O12 2.52(2) 1_455 ? Ag4 Ag5 2.804(2) . ? Ag4 Ag7 2.980(2) . ? Ag5 C1 2.162(13) . ? Ag5 O7 2.246(11) . ? Ag5 O3 2.398(10) 1_655 ? Ag5 Ag7 2.958(2) . ? Ag6 N1 2.257(13) 2 ? Ag6 O5 2.345(13) . ? Ag7 C1 2.299(13) . ? Ag7 O9 2.342(13) . ? Ag7 O1W 2.368(13) . ? Ag7 O11 2.414(11) . ? O1 C7 1.374(18) . ? O1 C5 1.413(19) . ? O3 C35 1.222(19) . ? O3 Ag5 2.398(10) 1_455 ? O4 C35 1.22(2) . ? O5 C41 1.22(2) . ? O6 C41 1.28(2) . ? O7 C33 1.22(2) . ? O8 C33 1.22(2) . ? O9 C39 1.21(2) . ? O10 C39 1.27(2) . ? O10 Ag2 2.337(11) 1_655 ? O11 C37 1.18(2) . ? O11 Ag2 2.431(11) 1_655 ? O12 C37 1.35(3) . ? O12 Ag4 2.52(2) 1_655 ? O12' C37 1.47(4) . ? O12' O2W 1.70(6) 1_655 ? O12' Ag3 2.45(3) 1_655 ? O1W H1WB 0.8501 . ? O1W H1WA 0.7924 . ? O2W O12' 1.70(6) 1_455 ? O2W H2WB 0.8501 . ? O2W H2WA 0.7500 . ? S1 C15 1.715(19) . ? S1 C13 1.729(16) . ? S2 C28 1.719(18) . ? S2 C26 1.751(14) . ? C1 C2 1.205(9) . ? C2 C5 1.480(19) . ? C5 H5A 0.9700 . ? C5 H5B 0.9700 . ? C7 C12 1.40(2) . ? C7 C8 1.41(2) . ? C8 C9 1.36(2) . ? C8 H8 0.9300 . ? C9 C10 1.35(3) . ? C9 H9 0.9300 . ? C10 C11 1.37(2) . ? C10 H10 0.9300 . ? C11 C12 1.39(2) . ? C11 H11 0.9300 . ? C12 C13 1.48(2) . ? C13 N1 1.30(2) . ? C14 C19 1.37(2) . ? C14 C15 1.40(2) . ? C14 N1 1.41(2) . ? C15 C16 1.40(3) . ? C16 C17 1.33(3) . ? C16 H16 0.9300 . ? C17 C18 1.36(3) . ? C17 H17 0.9300 . ? C18 C19 1.42(3) . ? C18 H18 0.9300 . ? C19 H19 0.9300 . ? C24 C25 1.41(2) . ? C24 H24 0.9300 . ? C25 C26 1.47(2) . ? C26 N2 1.29(2) . ? C27 N2 1.35(2) . ? C27 C32 1.40(2) . ? C27 C28 1.39(2) . ? C28 C29 1.43(3) . ? C29 C30 1.35(3) . ? C29 H29 0.9300 . ? C30 C31 1.38(3) . ? C30 H30 0.9300 . ? C31 C32 1.36(2) . ? C31 H31 0.9300 . ? C32 H32 0.9300 . ? C33 C34 1.56(3) . ? C34 F4 1.27(2) . ? C34 F6 1.27(3) . ? C34 F5 1.28(3) . ? C35 C36 1.58(2) . ? C36 F9 1.30(2) . ? C36 F7 1.30(2) . ? C36 F8 1.30(2) . ? C37 C38 1.54(3) . ? C38 F11 1.24(3) . ? C38 F12 1.28(3) . ? C38 F10 1.32(3) . ? C39 C40 1.52(3) . ? C40 F15 1.29(2) . ? C40 F14 1.33(3) . ? C40 F13 1.31(2) . ? C41 C42 1.42(4) . ? C42 F3 1.25(4) . ? C42 F1 1.24(3) . ? C42 F2 1.24(4) . ? N1 Ag6 2.257(13) 2_545 ? N2 Ag1 2.268(14) 2 ? 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 C22 C23 C24 120.2(16) . . ? C22 C23 H23 119.9 . . ? C24 C23 H23 119.9 . . ? C23 C22 C21 119.3(17) . . ? C23 C22 H22 120.3 . . ? C21 C22 H22 120.3 . . ? C20 C21 C22 123.0(18) . . ? C20 C21 H21 118.5 . . ? C22 C21 H21 118.5 . . ? O2 C20 C21 126.9(16) . . ? O2 C20 C25 113.9(13) . . ? C21 C20 C25 119.1(15) . . ? C20 O2 C6 115.4(12) . . ? O2 C6 C4 109.0(13) . . ? O2 C6 H6A 109.9 . . ? C4 C6 H6A 109.9 . . ? O2 C6 H6B 109.9 . . ? C4 C6 H6B 109.9 . . ? H6A C6 H6B 108.3 . . ? C3 C4 C6 170.3(15) . . ? C3 C4 Ag6 71.7(9) . . ? C6 C4 Ag6 117.2(10) . . ? C4 C3 Ag3 141.6(12) . . ? C4 C3 Ag2 135.0(13) . . ? Ag3 C3 Ag2 81.3(5) . . ? C4 C3 Ag6 79.5(9) . . ? Ag3 C3 Ag6 86.0(5) . . ? Ag2 C3 Ag6 95.2(5) . . ? C4 C3 Ag4 116.1(11) . . ? Ag3 C3 Ag4 80.3(5) . . ? Ag2 C3 Ag4 75.0(4) . . ? Ag6 C3 Ag4 164.2(7) . . ? N2 Ag1 O8 104.9(4) 2_545 . ? N2 Ag1 C1 143.9(4) 2_545 . ? O8 Ag1 C1 110.9(4) . . ? N2 Ag1 C2 115.9(4) 2_545 . ? O8 Ag1 C2 136.5(5) . . ? C1 Ag1 C2 28.6(2) . . ? N2 Ag1 Ag5 165.9(4) 2_545 . ? O8 Ag1 Ag5 68.3(3) . . ? C1 Ag1 Ag5 43.3(3) . . ? C2 Ag1 Ag5 68.5(3) . . ? C3 Ag2 O10 135.5(5) . 1_455 ? C3 Ag2 O3 114.0(5) . . ? O10 Ag2 O3 85.1(4) 1_455 . ? C3 Ag2 O11 131.0(5) . 1_455 ? O10 Ag2 O11 84.0(4) 1_455 1_455 ? O3 Ag2 O11 93.3(4) . 1_455 ? C3 Ag2 Ag3 49.1(4) . . ? O10 Ag2 Ag3 124.8(3) 1_455 . ? O3 Ag2 Ag3 149.8(3) . . ? O11 Ag2 Ag3 86.8(3) 1_455 . ? C3 Ag2 Ag4 56.9(4) . . ? O10 Ag2 Ag4 167.2(3) 1_455 . ? O3 Ag2 Ag4 86.1(3) . . ? O11 Ag2 Ag4 87.3(3) 1_455 . ? Ag3 Ag2 Ag4 63.73(5) . . ? C3 Ag3 O6 134.4(5) . . ? C3 Ag3 O2W 149.1(9) . . ? O6 Ag3 O2W 76.1(8) . . ? C3 Ag3 O12' 108.6(11) . 1_455 ? O6 Ag3 O12' 114.6(12) . 1_455 ? O2W Ag3 O12' 40.9(13) . 1_455 ? C3 Ag3 O9 95.4(5) . . ? O6 Ag3 O9 94.6(5) . . ? O2W Ag3 O9 85.1(9) . . ? O12' Ag3 O9 95.4(8) 1_455 . ? C3 Ag3 Ag2 49.5(4) . . ? O6 Ag3 Ag2 130.8(3) . . ? O2W Ag3 Ag2 110.2(9) . . ? O12' Ag3 Ag2 74.6(8) 1_455 . ? O9 Ag3 Ag2 134.0(3) . . ? C3 Ag3 Ag4 54.1(4) . . ? O6 Ag3 Ag4 169.7(3) . . ? O2W Ag3 Ag4 96.3(7) . . ? O12' Ag3 Ag4 60.2(12) 1_455 . ? O9 Ag3 Ag4 77.7(3) . . ? Ag2 Ag3 Ag4 58.16(5) . . ? C3 Ag3 Ag6 50.1(4) . . ? O6 Ag3 Ag6 85.4(3) . . ? O2W Ag3 Ag6 154.4(7) . . ? O12' Ag3 Ag6 143.2(7) 1_455 . ? O9 Ag3 Ag6 114.3(3) . . ? Ag2 Ag3 Ag6 69.17(5) . . ? Ag4 Ag3 Ag6 103.91(6) . . ? C1 Ag4 O4 91.2(4) . . ? C1 Ag4 C3 144.6(5) . . ? O4 Ag4 C3 104.3(5) . . ? C1 Ag4 O12 93.8(7) . 1_455 ? O4 Ag4 O12 98.9(8) . 1_455 ? C3 Ag4 O12 114.3(7) . 1_455 ? C1 Ag4 Ag5 48.9(3) . . ? O4 Ag4 Ag5 96.9(4) . . ? C3 Ag4 Ag5 97.1(3) . . ? O12 Ag4 Ag5 139.7(5) 1_455 . ? C1 Ag4 Ag2 166.7(3) . . ? O4 Ag4 Ag2 78.9(3) . . ? C3 Ag4 Ag2 48.0(3) . . ? O12 Ag4 Ag2 79.1(5) 1_455 . ? Ag5 Ag4 Ag2 140.60(7) . . ? C1 Ag4 Ag7 49.6(3) . . ? O4 Ag4 Ag7 140.7(3) . . ? C3 Ag4 Ag7 110.4(3) . . ? O12 Ag4 Ag7 83.5(5) 1_455 . ? Ag5 Ag4 Ag7 61.44(5) . . ? Ag2 Ag4 Ag7 139.11(7) . . ? C1 Ag4 Ag3 131.6(3) . . ? O4 Ag4 Ag3 136.9(3) . . ? C3 Ag4 Ag3 45.6(4) . . ? O12 Ag4 Ag3 76.6(7) 1_455 . ? Ag5 Ag4 Ag3 114.29(6) . . ? Ag2 Ag4 Ag3 58.11(5) . . ? Ag7 Ag4 Ag3 82.01(5) . . ? C1 Ag5 O7 133.9(5) . . ? C1 Ag5 O3 117.8(5) . 1_655 ? O7 Ag5 O3 93.1(4) . 1_655 ? C1 Ag5 Ag4 53.4(4) . . ? O7 Ag5 Ag4 104.3(3) . . ? O3 Ag5 Ag4 161.3(3) 1_655 . ? C1 Ag5 Ag7 50.5(3) . . ? O7 Ag5 Ag7 161.1(3) . . ? O3 Ag5 Ag7 99.2(3) 1_655 . ? Ag4 Ag5 Ag7 62.21(5) . . ? C1 Ag5 Ag1 48.8(3) . . ? O7 Ag5 Ag1 88.0(3) . . ? O3 Ag5 Ag1 116.0(3) 1_655 . ? Ag4 Ag5 Ag1 72.24(5) . . ? Ag7 Ag5 Ag1 99.30(5) . . ? N1 Ag6 O5 102.5(5) 2 . ? N1 Ag6 C3 146.5(5) 2 . ? O5 Ag6 C3 110.8(5) . . ? N1 Ag6 C4 129.5(5) 2 . ? O5 Ag6 C4 122.1(5) . . ? C3 Ag6 C4 28.7(5) . . ? N1 Ag6 Ag3 157.1(3) 2 . ? O5 Ag6 Ag3 70.7(3) . . ? C3 Ag6 Ag3 43.8(4) . . ? C4 Ag6 Ag3 68.8(3) . . ? C1 Ag7 O9 127.2(4) . . ? C1 Ag7 O1W 102.7(6) . . ? O9 Ag7 O1W 100.0(6) . . ? C1 Ag7 O11 118.1(5) . . ? O9 Ag7 O11 90.5(5) . . ? O1W Ag7 O11 118.3(5) . . ? C1 Ag7 Ag5 46.5(3) . . ? O9 Ag7 Ag5 92.2(3) . . ? O1W Ag7 Ag5 145.7(4) . . ? O11 Ag7 Ag5 93.3(3) . . ? C1 Ag7 Ag4 49.7(3) . . ? O9 Ag7 Ag4 82.0(3) . . ? O1W Ag7 Ag4 93.5(4) . . ? O11 Ag7 Ag4 148.1(3) . . ? Ag5 Ag7 Ag4 56.35(5) . . ? C7 O1 C5 116.0(12) . . ? C35 O3 Ag2 116.8(10) . . ? C35 O3 Ag5 136.6(10) . 1_455 ? Ag2 O3 Ag5 100.9(4) . 1_455 ? C35 O4 Ag4 126.6(11) . . ? C41 O5 Ag6 135.9(14) . . ? C41 O6 Ag3 117.0(10) . . ? C33 O7 Ag5 114.7(11) . . ? C33 O8 Ag1 137.2(12) . . ? C39 O9 Ag7 109.8(11) . . ? C39 O9 Ag3 115.8(11) . . ? Ag7 O9 Ag3 105.1(5) . . ? C39 O10 Ag2 121.4(10) . 1_655 ? C37 O11 Ag7 134.7(15) . . ? C37 O11 Ag2 116.5(13) . 1_655 ? Ag7 O11 Ag2 108.0(4) . 1_655 ? C37 O12 Ag4 121.1(16) . 1_655 ? C37 O12' O2W 127(3) . 1_655 ? C37 O12' Ag3 126(2) . 1_655 ? O2W O12' Ag3 68.3(16) 1_655 1_655 ? Ag7 O1W H1WB 109.7 . . ? Ag7 O1W H1WA 104.6 . . ? H1WB O1W H1WA 105.2 . . ? O12' O2W Ag3 70.7(14) 1_455 . ? O12' O2W H2WB 64.8 1_455 . ? Ag3 O2W H2WB 108.5 . . ? O12' O2W H2WA 173.6 1_455 . ? Ag3 O2W H2WA 109.7 . . ? H2WB O2W H2WA 109.5 . . ? C15 S1 C13 89.9(8) . . ? C28 S2 C26 89.5(8) . . ? C2 C1 Ag5 144.3(13) . . ? C2 C1 Ag7 106.6(10) . . ? Ag5 C1 Ag7 83.0(4) . . ? C2 C1 Ag4 137.2(12) . . ? Ag5 C1 Ag4 77.7(4) . . ? Ag7 C1 Ag4 80.7(4) . . ? C2 C1 Ag1 80.8(9) . . ? Ag5 C1 Ag1 87.9(5) . . ? Ag7 C1 Ag1 170.9(6) . . ? Ag4 C1 Ag1 97.7(5) . . ? C1 C2 C5 168.8(14) . . ? C1 C2 Ag1 70.6(9) . . ? C5 C2 Ag1 120.5(9) . . ? O1 C5 C2 109.6(13) . . ? O1 C5 H5A 109.7 . . ? C2 C5 H5A 109.7 . . ? O1 C5 H5B 109.7 . . ? C2 C5 H5B 109.7 . . ? H5A C5 H5B 108.2 . . ? O1 C7 C12 117.9(14) . . ? O1 C7 C8 123.5(14) . . ? C12 C7 C8 118.6(14) . . ? C9 C8 C7 120.5(17) . . ? C9 C8 H8 119.8 . . ? C7 C8 H8 119.8 . . ? C8 C9 C10 119.8(17) . . ? C8 C9 H9 120.1 . . ? C10 C9 H9 120.1 . . ? C11 C10 C9 122.4(17) . . ? C11 C10 H10 118.8 . . ? C9 C10 H10 118.8 . . ? C10 C11 C12 119.0(16) . . ? C10 C11 H11 120.5 . . ? C12 C11 H11 120.5 . . ? C7 C12 C11 119.7(15) . . ? C7 C12 C13 121.8(13) . . ? C11 C12 C13 118.4(14) . . ? N1 C13 C12 120.3(14) . . ? N1 C13 S1 115.5(12) . . ? C12 C13 S1 124.0(12) . . ? C19 C14 C15 119.9(16) . . ? C19 C14 N1 126.2(15) . . ? C15 C14 N1 113.4(13) . . ? C14 C15 C16 119.9(17) . . ? C14 C15 S1 109.9(12) . . ? C16 C15 S1 130.1(15) . . ? C17 C16 C15 119(2) . . ? C17 C16 H16 120.5 . . ? C15 C16 H16 120.5 . . ? C16 C17 C18 123(2) . . ? C16 C17 H17 118.6 . . ? C18 C17 H17 118.6 . . ? C17 C18 C19 120(2) . . ? C17 C18 H18 120.1 . . ? C19 C18 H18 120.1 . . ? C14 C19 C18 119(2) . . ? C14 C19 H19 120.7 . . ? C18 C19 H19 120.7 . . ? C23 C24 C25 121.9(17) . . ? C23 C24 H24 119.1 . . ? C25 C24 H24 119.1 . . ? C24 C25 C20 116.4(15) . . ? C24 C25 C26 118.7(15) . . ? C20 C25 C26 124.9(13) . . ? N2 C26 C25 124.6(14) . . ? N2 C26 S2 115.1(13) . . ? C25 C26 S2 120.0(12) . . ? N2 C27 C32 125.6(14) . . ? N2 C27 C28 117.6(16) . . ? C32 C27 C28 116.8(16) . . ? C27 C28 C29 122.7(17) . . ? C27 C28 S2 107.7(13) . . ? C29 C28 S2 129.6(14) . . ? C30 C29 C28 116.2(18) . . ? C30 C29 H29 121.9 . . ? C28 C29 H29 121.9 . . ? C29 C30 C31 122.6(19) . . ? C29 C30 H30 118.7 . . ? C31 C30 H30 118.7 . . ? C30 C31 C32 120.5(18) . . ? C30 C31 H31 119.8 . . ? C32 C31 H31 119.8 . . ? C31 C32 C27 121.2(18) . . ? C31 C32 H32 119.4 . . ? C27 C32 H32 119.4 . . ? O7 C33 O8 130.7(17) . . ? O7 C33 C34 114.8(15) . . ? O8 C33 C34 114.5(17) . . ? F4 C34 F6 113(3) . . ? F4 C34 F5 106(2) . . ? F6 C34 F5 104(2) . . ? F4 C34 C33 112.1(19) . . ? F6 C34 C33 109.5(19) . . ? F5 C34 C33 112(2) . . ? O3 C35 O4 130.9(16) . . ? O3 C35 C36 114.4(14) . . ? O4 C35 C36 114.7(15) . . ? F9 C36 F7 108.8(18) . . ? F9 C36 F8 106.7(19) . . ? F7 C36 F8 105.8(17) . . ? F9 C36 C35 109.5(15) . . ? F7 C36 C35 114.2(16) . . ? F8 C36 C35 111.6(16) . . ? O11 C37 O12 128.2(19) . . ? O11 C37 O12' 120(3) . . ? O12 C37 O12' 53(2) . . ? O11 C37 C38 117.5(19) . . ? O12 C37 C38 108(2) . . ? O12' C37 C38 115(2) . . ? F11 C38 F12 110(2) . . ? F11 C38 F10 106(2) . . ? F12 C38 F10 101(3) . . ? F11 C38 C37 114(3) . . ? F12 C38 C37 114(2) . . ? F10 C38 C37 111(2) . . ? O9 C39 O10 128.2(17) . . ? O9 C39 C40 118.3(16) . . ? O10 C39 C40 113.4(14) . . ? F15 C40 F14 106.5(16) . . ? F15 C40 F13 108.7(17) . . ? F14 C40 F13 105(2) . . ? F15 C40 C39 113(2) . . ? F14 C40 C39 110.4(16) . . ? F13 C40 C39 112.7(15) . . ? O5 C41 O6 126.2(18) . . ? O5 C41 C42 120(2) . . ? O6 C41 C42 114.0(18) . . ? F3 C42 F1 100(3) . . ? F3 C42 F2 96(4) . . ? F1 C42 F2 108(3) . . ? F3 C42 C41 111(3) . . ? F1 C42 C41 123(3) . . ? F2 C42 C41 115(3) . . ? C13 N1 C14 110.9(13) . . ? C13 N1 Ag6 120.6(10) . 2_545 ? C14 N1 Ag6 125.4(10) . 2_545 ? C26 N2 C27 110.1(14) . . ? C26 N2 Ag1 125.0(11) . 2 ? C27 N2 Ag1 123.7(10) . 2 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O1W H1WB F1 0.85 2.49 3.09(2) 128.8 3_565 O1W H1WA O2W 0.79 2.09 2.87(3) 168.5 . O2W H2WB F11 0.85 2.62 3.44(4) 163.6 1_455 O2W H2WA O1W 0.75 1.93 2.67(4) 174.1 3_565 _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.420 _refine_diff_density_min -1.173 _refine_diff_density_rms 0.142 _database_code_depnum_ccdc_archive 'CCDC 913999' ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_1a #TrackingRef '4.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C70 H58 Ag9 N9 O22 S7' _chemical_formula_weight 2572.50 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' 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' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C c' _symmetry_space_group_name_Hall 'C -2yc' 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' _cell_length_a 15.346(3) _cell_length_b 24.558(5) _cell_length_c 22.739(5) _cell_angle_alpha 90.00 _cell_angle_beta 109.46(3) _cell_angle_gamma 90.00 _cell_volume 8080(3) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 11874 _cell_measurement_theta_min 1.9112 _cell_measurement_theta_max 29.0681 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.18 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.115 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5008 _exptl_absorpt_coefficient_mu 2.391 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6463 _exptl_absorpt_correction_T_max 0.6728 _exptl_absorpt_process_details SADABS(2009) _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 18965 _diffrn_reflns_av_R_equivalents 0.0358 _diffrn_reflns_av_sigmaI/netI 0.0463 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -29 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 2.12 _diffrn_reflns_theta_max 25.00 _reflns_number_total 8356 _reflns_number_gt 7404 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.1283P)^2^+110.0252P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.0(3) _refine_ls_number_reflns 8356 _refine_ls_number_parameters 1046 _refine_ls_number_restraints 181 _refine_ls_R_factor_all 0.0827 _refine_ls_R_factor_gt 0.0763 _refine_ls_wR_factor_ref 0.2161 _refine_ls_wR_factor_gt 0.2095 _refine_ls_goodness_of_fit_ref 1.081 _refine_ls_restrained_S_all 1.084 _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 C4 C 0.3951(17) 0.9254(12) 0.7990(15) 0.089(10) Uani 1 1 d D . 4 Ag1 Ag 0.3590(4) 0.74533(8) 0.81536(16) 0.0551(4) Uani 1 1 d . . 4 Ag2 Ag 0.5269(4) 0.88856(8) 0.82803(17) 0.0586(5) Uani 1 1 d U . 4 Ag3 Ag 0.7216(4) 0.88488(8) 0.79523(16) 0.0584(5) Uani 1 1 d U . 4 Ag4 Ag 0.1359(4) 0.74187(10) 0.78966(17) 0.0697(6) Uani 1 1 d U . 4 Ag5 Ag 0.4834(5) 0.63848(9) 0.84874(17) 0.0682(6) Uani 1 1 d . . 4 Ag6 Ag 0.4116(4) 1.00338(8) 0.85958(16) 0.0643(5) Uani 1 1 d . . 4 Ag7 Ag 0.5564(4) 0.77332(9) 0.82933(17) 0.0707(6) Uani 1 1 d . . 4 Ag8 Ag 0.3666(5) 0.75596(13) 0.67627(18) 0.0904(8) Uani 1 1 d . . 4 Ag9 Ag 0.3607(5) 0.85805(10) 0.85866(19) 0.0882(7) Uani 1 1 d . . 4 O1 O 0.0838(10) 0.8452(6) 0.8825(6) 0.043(3) Uani 1 1 d . . 4 O2 O 0.1830(11) 0.9895(6) 0.7668(7) 0.051(4) Uani 1 1 d . . 4 O3 O 0.6282(12) 0.6419(6) 0.7505(7) 0.052(4) Uani 1 1 d . . 4 O4 O 0.8671(11) 0.7859(7) 0.8899(6) 0.052(4) Uani 1 1 d . . 4 O5 O 0.5598(18) 1.0088(11) 0.9359(10) 0.112(10) Uani 1 1 d . . 4 O6 O 0.634(3) 0.9663(16) 0.8011(16) 0.153(5) Uani 1 1 d U . 4 O7 O 0.5760(15) 0.7180(8) 0.9288(6) 0.071(6) Uani 1 1 d . . 4 O8 O 0.3425(18) 0.9145(11) 0.9448(11) 0.097(5) Uani 1 1 d U . 4 O9 O 0.429(2) 0.9198(16) 1.0467(10) 0.145(13) Uani 1 1 d . . 4 O10 O 0.455(3) 0.8743(15) 0.9828(16) 0.144(11) Uani 1 1 d U . 4 O11 O 0.371(2) 0.7016(13) 0.5869(12) 0.115(8) Uani 1 1 d U . 4 O12 O 0.317(2) 0.6223(16) 0.5513(15) 0.143(11) Uani 1 1 d U . 4 O13 O 0.3017(18) 0.6525(10) 0.6305(10) 0.095(7) Uani 1 1 d . . 4 O14 O 0.381(3) 0.6381(16) 0.9260(16) 0.153(11) Uani 1 1 d . A 4 O15 O 0.287(2) 0.6312(13) 0.8188(10) 0.138(13) Uani 1 1 d . A 4 O16 O 0.242(2) 0.609(3) 0.904(2) 0.29(4) Uani 1 1 d D A 4 O17 O 0.2596(19) 0.8289(12) 0.6716(12) 0.111(8) Uani 1 1 d U . 4 O18 O 0.1990(17) 0.7614(13) 0.6997(11) 0.103(7) Uani 1 1 d U . 4 O19 O 0.1386(19) 0.8327(16) 0.6906(14) 0.136(12) Uani 1 1 d U . 4 O20' O 0.637(5) 0.813(3) 0.712(3) 0.105(10) Uani 0.42(4) 1 d P . 4 O20 O 0.611(3) 0.8582(19) 0.697(2) 0.105(10) Uani 0.58(4) 1 d PDU . 2 O21 O 0.539(2) 0.7794(11) 0.6575(12) 0.112(6) Uani 1 1 d D . . O22 O 0.486(2) 0.8341(15) 0.7050(14) 0.144(12) Uani 1 1 d DU . . S1 S 0.0035(6) 0.8762(3) 0.7590(3) 0.0512(13) Uani 1 1 d . . . S2 S 0.1829(6) 0.9874(3) 0.8850(3) 0.0517(13) Uani 1 1 d . . . S3 S 0.7361(6) 0.6574(2) 0.8706(3) 0.0504(13) Uani 1 1 d . . . S4 S 0.8225(6) 0.7560(2) 0.7664(3) 0.0482(13) Uani 1 1 d . . . S6 S 0.6179(6) 0.9567(4) 0.9621(3) 0.096(3) Uani 1 1 d DU . . S7 S 0.5381(7) 0.7502(4) 0.9703(4) 0.093(3) Uani 1 1 d D . . N1 N -0.1566(14) 0.9017(8) 0.7618(10) 0.053(5) Uani 1 1 d . . . N2 N 0.0518(16) 1.0561(7) 0.8761(8) 0.053(5) Uani 1 1 d . . . N3 N 0.8578(12) 0.5861(7) 0.8764(9) 0.047(4) Uani 1 1 d . . . N4 N 0.9879(14) 0.7257(8) 0.7670(9) 0.054(5) Uani 1 1 d . . . N5 N 0.406(2) 0.9012(13) 0.9962(15) 0.097(5) Uani 1 1 d . . . N6 N 0.3327(19) 0.6592(12) 0.5896(12) 0.078(6) Uani 1 1 d U . . N7 N 0.305(3) 0.6204(18) 0.880(2) 0.153(11) Uani 1 1 d D . . N8 N 0.197(2) 0.8116(18) 0.6807(14) 0.103(7) Uani 1 1 d U . . N9 N 0.552(2) 0.8217(11) 0.6887(15) 0.112(6) Uani 1 1 d DU . . C1 C 0.2711(15) 0.7820(9) 0.8560(11) 0.056(6) Uani 1 1 d D . . C2 C 0.2150(19) 0.7983(10) 0.8788(14) 0.069(8) Uani 1 1 d D . . C3 C 0.1592(16) 0.8238(14) 0.9177(12) 0.076(10) Uani 1 1 d . . . H3A H 0.1453 0.7959 0.9434 0.092 Uiso 1 1 calc R . 4 H3B H 0.1965 0.8515 0.9452 0.092 Uiso 1 1 calc R . 4 C5 C 0.3199(15) 0.9459(9) 0.7746(9) 0.048(5) Uani 1 1 d D . . C6 C 0.2312(17) 0.9643(12) 0.7334(10) 0.061(7) Uani 1 1 d . . . H6A H 0.2401 0.9895 0.7031 0.073 Uiso 1 1 calc R B 4 H6B H 0.1961 0.9334 0.7110 0.073 Uiso 1 1 calc R B 4 C7 C 0.4569(18) 0.7132(9) 0.7766(12) 0.062(7) Uani 1 1 d D . . C8 C 0.4930(15) 0.6865(10) 0.7468(9) 0.050(5) Uani 1 1 d D . . C9 C 0.5475(17) 0.6623(9) 0.7128(12) 0.058(6) Uani 1 1 d . . . H9A H 0.5121 0.6334 0.6866 0.070 Uiso 1 1 calc R . 4 H9B H 0.5601 0.6896 0.6859 0.070 Uiso 1 1 calc R . 4 C10 C 0.6486(17) 0.8412(12) 0.8588(12) 0.064(6) Uani 1 1 d DU . . C11 C 0.7259(17) 0.8253(9) 0.8867(10) 0.058(6) Uani 1 1 d D . . C12 C 0.8223(15) 0.8066(11) 0.9292(11) 0.055(6) Uani 1 1 d . . . H12A H 0.8567 0.8370 0.9531 0.066 Uiso 1 1 calc R . 4 H12B H 0.8166 0.7787 0.9579 0.066 Uiso 1 1 calc R . 4 C13 C 0.0376(14) 0.8811(10) 0.9057(10) 0.056(6) Uani 1 1 d D . . C14 C 0.0617(16) 0.8911(11) 0.9722(10) 0.052(6) Uani 1 1 d . . . H14 H 0.1106 0.8716 0.9993 0.063 Uiso 1 1 calc R . . C15 C 0.0187(17) 0.9260(9) 0.9962(10) 0.053(5) Uani 1 1 d . . . H15 H 0.0374 0.9310 1.0391 0.063 Uiso 1 1 calc R . . C16 C -0.0590(17) 0.9570(11) 0.9549(12) 0.064(7) Uani 1 1 d U . . H16 H -0.0873 0.9847 0.9700 0.077 Uiso 1 1 calc R . . C17 C -0.0916(17) 0.9417(11) 0.8858(11) 0.062(6) Uani 1 1 d U . . H17 H -0.1453 0.9569 0.8582 0.074 Uiso 1 1 calc R . . C18 C -0.0413(14) 0.9059(9) 0.8653(10) 0.055(6) Uani 1 1 d D . . C19 C -0.0740(13) 0.8961(8) 0.7991(9) 0.038(4) Uani 1 1 d . . . C20 C -0.1679(17) 0.8951(9) 0.6997(10) 0.050(5) Uani 1 1 d . . . C21 C -0.085(2) 0.8833(9) 0.6866(13) 0.064(7) Uani 1 1 d . . . C22 C -0.078(2) 0.8749(12) 0.6267(12) 0.071(7) Uani 1 1 d U . . H22 H -0.0240 0.8645 0.6191 0.085 Uiso 1 1 calc R . . C23 C -0.166(2) 0.8850(11) 0.5795(13) 0.066(5) Uani 1 1 d U . . H23 H -0.1689 0.8806 0.5382 0.079 Uiso 1 1 calc R . . C24 C -0.237(2) 0.8989(12) 0.5884(12) 0.065(5) Uani 1 1 d U . . H24 H -0.2888 0.9072 0.5542 0.078 Uiso 1 1 calc R . . C25 C -0.2436(19) 0.9027(12) 0.6488(10) 0.064(7) Uani 1 1 d . . . H25 H -0.3002 0.9105 0.6536 0.077 Uiso 1 1 calc R . . C26 C 0.0895(15) 1.0075(8) 0.7344(10) 0.042(5) Uani 1 1 d . . . C27 C 0.0503(16) 1.0034(9) 0.6769(10) 0.046(5) Uani 1 1 d . . . H27 H 0.0831 0.9896 0.6524 0.056 Uiso 1 1 calc R . . C28 C -0.043(2) 1.0193(10) 0.6481(13) 0.064(6) Uani 1 1 d . . . H28 H -0.0713 1.0176 0.6051 0.077 Uiso 1 1 calc R . . C29 C -0.092(2) 1.0383(14) 0.6882(14) 0.081(8) Uani 1 1 d U . . H29 H -0.1518 1.0517 0.6712 0.097 Uiso 1 1 calc R . . C30 C -0.0493(17) 1.0363(10) 0.7518(10) 0.057(6) Uani 1 1 d . . . H30 H -0.0803 1.0434 0.7798 0.068 Uiso 1 1 calc R . . C31 C 0.0458(15) 1.0226(9) 0.7710(13) 0.058(7) Uani 1 1 d . . . C32 C 0.0895(16) 1.0260(9) 0.8435(9) 0.046(5) Uani 1 1 d . . . C33 C 0.106(2) 1.0505(9) 0.9424(10) 0.058(6) Uani 1 1 d . . . C34 C 0.1739(17) 1.0140(9) 0.9547(9) 0.047(5) Uani 1 1 d . . . C35 C 0.2381(19) 1.0040(12) 1.0173(10) 0.061(7) Uani 1 1 d . . . H35 H 0.2894 0.9814 1.0253 0.073 Uiso 1 1 calc R . . C36 C 0.217(2) 1.0299(14) 1.0618(17) 0.099(10) Uani 1 1 d DU . . H36 H 0.2524 1.0246 1.1034 0.118 Uiso 1 1 calc R . . C37 C 0.142(2) 1.0652(14) 1.0458(10) 0.085(10) Uani 1 1 d D . . H37 H 0.1300 1.0810 1.0795 0.102 Uiso 1 1 calc R . . C38 C 0.0854(19) 1.0796(11) 0.9909(11) 0.063(6) Uani 1 1 d U . . H38 H 0.0383 1.1051 0.9842 0.076 Uiso 1 1 calc R . . C39 C 0.6999(17) 0.6240(8) 0.7271(11) 0.047(5) Uani 1 1 d . . . C40 C 0.6814(18) 0.6237(10) 0.6624(10) 0.055(6) Uani 1 1 d . . . H40 H 0.6248 0.6347 0.6344 0.065 Uiso 1 1 calc R . . C41 C 0.7587(16) 0.6045(10) 0.6412(10) 0.060(6) Uani 1 1 d D . . H41 H 0.7480 0.5977 0.5991 0.072 Uiso 1 1 calc R . . C42 C 0.8466(16) 0.5967(11) 0.6845(11) 0.067(7) Uani 1 1 d D . . H42 H 0.8992 0.5923 0.6733 0.081 Uiso 1 1 calc R . . C43 C 0.848(2) 0.5963(9) 0.7457(10) 0.059(7) Uani 1 1 d . . . H43 H 0.9042 0.5851 0.7745 0.071 Uiso 1 1 calc R . . C44 C 0.7815(17) 0.6097(9) 0.7708(12) 0.052(6) Uani 1 1 d . . . C45 C 0.7987(17) 0.6146(8) 0.8361(11) 0.049(5) Uani 1 1 d . . . C46 C 0.7968(17) 0.6366(11) 0.9418(9) 0.051(6) Uani 1 1 d . . . C47 C 0.8700(14) 0.5977(8) 0.9377(9) 0.045(5) Uani 1 1 d D . . C48 C 0.9331(17) 0.5783(11) 0.9933(10) 0.065(6) Uani 1 1 d DU . . H48 H 0.9765 0.5526 0.9910 0.079 Uiso 1 1 calc R . . C49 C 0.935(3) 0.5947(18) 1.0499(18) 0.106(11) Uani 1 1 d U . . H49 H 0.9770 0.5806 1.0861 0.128 Uiso 1 1 calc R . . C50 C 0.8666(19) 0.6359(12) 1.0524(10) 0.064(7) Uani 1 1 d . . . H50 H 0.8717 0.6492 1.0917 0.077 Uiso 1 1 calc R . . C51 C 0.795(2) 0.6575(12) 1.0022(13) 0.075(8) Uani 1 1 d . . . H51 H 0.7516 0.6821 1.0064 0.090 Uiso 1 1 calc R . . C52 C 0.9380(15) 0.7540(9) 0.9144(9) 0.041(5) Uani 1 1 d . . . C53 C 0.9822(17) 0.7392(12) 0.9786(9) 0.061(7) Uani 1 1 d . . . H53 H 0.9584 0.7525 1.0085 0.073 Uiso 1 1 calc R . . C54 C 1.057(2) 0.7066(11) 0.9968(10) 0.078(9) Uani 1 1 d . . . H54 H 1.0885 0.7025 1.0393 0.094 Uiso 1 1 calc R . . C55 C 1.0898(17) 0.6793(11) 0.9559(13) 0.065(7) Uani 1 1 d . . . H55 H 1.1349 0.6525 0.9696 0.078 Uiso 1 1 calc R . . C56 C 1.0531(16) 0.6930(10) 0.8935(10) 0.053(6) Uani 1 1 d . . . H56 H 1.0806 0.6782 0.8663 0.064 Uiso 1 1 calc R . . C57 C 0.9768(16) 0.7278(8) 0.8684(9) 0.040(5) Uani 1 1 d . . . C58 C 0.9410(17) 0.7394(11) 0.8041(10) 0.058(7) Uani 1 1 d . . . C59 C 0.836(2) 0.7468(10) 0.6928(12) 0.062(6) Uani 1 1 d U . . C60 C 0.9226(19) 0.7296(11) 0.7005(11) 0.058(6) Uani 1 1 d U . . C61 C 0.945(2) 0.7134(13) 0.6492(10) 0.073(9) Uani 1 1 d . . . H61 H 1.0027 0.6978 0.6541 0.087 Uiso 1 1 calc R . . C62 C 0.887(2) 0.7203(15) 0.5962(10) 0.088(10) Uani 1 1 d U . . H62 H 0.9047 0.7118 0.5618 0.105 Uiso 1 1 calc R . . C63 C 0.801(3) 0.7393(13) 0.5855(12) 0.080(8) Uani 1 1 d U . . H63 H 0.7605 0.7456 0.5452 0.096 Uiso 1 1 calc R . . C64 C 0.774(2) 0.7492(13) 0.6390(12) 0.073(8) Uani 1 1 d . . . H64 H 0.7128 0.7572 0.6349 0.088 Uiso 1 1 calc R . . C67 C 0.727(3) 0.9819(17) 0.9593(19) 0.112(12) Uani 1 1 d U . . H67A H 0.7177 0.9978 0.9191 0.168 Uiso 1 1 calc R . . H67B H 0.7699 0.9524 0.9661 0.168 Uiso 1 1 calc R . . H67C H 0.7504 1.0089 0.9911 0.168 Uiso 1 1 calc R . . C68 C 0.647(2) 0.950(2) 1.0412(4) 0.120(6) Uani 1 1 d DU . . H68A H 0.5980 0.9649 1.0542 0.179 Uiso 1 1 calc R . . H68B H 0.7028 0.9702 1.0614 0.179 Uiso 1 1 calc R . . H68C H 0.6559 0.9127 1.0526 0.179 Uiso 1 1 calc R . . C69 C 0.6298(16) 0.7873(13) 1.0164(13) 0.094(9) Uani 1 1 d DU . . H69A H 0.6591 0.8056 0.9907 0.140 Uiso 1 1 calc R . . H69B H 0.6734 0.7634 1.0448 0.140 Uiso 1 1 calc R . . H69C H 0.6084 0.8137 1.0396 0.140 Uiso 1 1 calc R . . C70 C 0.520(3) 0.709(2) 1.033(2) 0.140(16) Uani 1 1 d U . . H70A H 0.5308 0.7309 1.0698 0.210 Uiso 1 1 d R . . H70B H 0.5626 0.6790 1.0423 0.210 Uiso 1 1 d R . . H70C H 0.4580 0.6956 1.0194 0.210 Uiso 1 1 d R . . S5 S 0.5878(13) 1.0135(8) 0.7618(8) 0.157(5) Uani 1 1 d DU . . C65 C 0.572(9) 0.984(5) 0.687(3) 0.156(5) Uani 0.49(5) 1 d PDU . 1 H65A H 0.6302 0.9809 0.6808 0.234 Uiso 0.49(5) 1 d PR . 1 H65B H 0.5307 1.0060 0.6549 0.234 Uiso 0.49(5) 1 d PR . 1 H65C H 0.5455 0.9487 0.6871 0.234 Uiso 0.49(5) 1 d PR . 1 C66 C 0.664(6) 1.058(4) 0.741(5) 0.16(2) Uani 0.49(5) 1 d PDU . 1 H66A H 0.6375 1.0936 0.7324 0.237 Uiso 0.49(5) 1 d PR . 1 H66B H 0.6737 1.0438 0.7040 0.237 Uiso 0.49(5) 1 d PR . 1 H66C H 0.7226 1.0600 0.7740 0.237 Uiso 0.49(5) 1 d PR . 1 C66' C 0.580(8) 1.0824(16) 0.784(5) 0.16(2) Uani 0.51(5) 1 d PD . 2 H66D H 0.5167 1.0923 0.7748 0.237 Uiso 0.51(5) 1 d PR . 2 H66E H 0.6087 1.1055 0.7620 0.237 Uiso 0.51(5) 1 d PR . 2 H66F H 0.6119 1.0865 0.8285 0.237 Uiso 0.51(5) 1 d PR . 2 C65' C 0.518(7) 1.000(5) 0.683(2) 0.156(5) Uani 0.51(5) 1 d PD . 2 H65D H 0.4908 1.0338 0.6652 0.234 Uiso 0.51(5) 1 d PR . 2 H65E H 0.4706 0.9737 0.6801 0.234 Uiso 0.51(5) 1 d PR . 2 H65F H 0.5576 0.9867 0.6611 0.234 Uiso 0.51(5) 1 d PR . 2 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 C4 0.076(19) 0.057(17) 0.16(3) -0.002(19) 0.08(2) 0.027(15) Ag1 0.0443(9) 0.0592(11) 0.0639(10) -0.0007(8) 0.0211(8) 0.0076(8) Ag2 0.0521(8) 0.0593(8) 0.0676(8) -0.0013(7) 0.0242(6) 0.0051(7) Ag3 0.0537(8) 0.0645(9) 0.0591(8) 0.0009(7) 0.0215(7) -0.0009(7) Ag4 0.0451(10) 0.0861(16) 0.0763(12) -0.0076(11) 0.0180(9) -0.0087(10) Ag5 0.0797(14) 0.0552(12) 0.0727(12) 0.0113(9) 0.0295(10) 0.0187(10) Ag6 0.0715(12) 0.0559(11) 0.0554(10) -0.0045(9) 0.0076(9) 0.0189(10) Ag7 0.0669(12) 0.0587(12) 0.0803(13) -0.0022(10) 0.0164(10) -0.0142(10) Ag8 0.0727(14) 0.120(2) 0.0719(13) 0.0031(13) 0.0149(12) 0.0294(15) Ag9 0.0931(17) 0.0619(13) 0.131(2) -0.0056(14) 0.0664(16) -0.0144(13) O1 0.033(7) 0.060(10) 0.040(7) 0.002(6) 0.017(6) 0.011(6) O2 0.049(8) 0.050(9) 0.055(8) -0.010(7) 0.018(7) 0.000(7) O3 0.063(10) 0.049(9) 0.056(8) 0.002(7) 0.035(8) 0.012(8) O4 0.048(8) 0.066(10) 0.038(7) -0.006(7) 0.010(6) 0.008(8) O5 0.097(17) 0.13(2) 0.081(13) -0.031(13) -0.012(12) 0.052(16) O6 0.153(6) 0.153(5) 0.153(6) -0.001(2) 0.051(2) 0.000(2) O7 0.123(16) 0.078(12) 0.014(6) 0.001(7) 0.028(8) -0.021(11) O8 0.098(6) 0.097(6) 0.097(6) -0.001(2) 0.032(3) 0.001(2) O9 0.16(3) 0.21(4) 0.044(11) -0.002(15) 0.011(13) 0.01(3) O10 0.144(11) 0.144(11) 0.144(11) 0.0000(11) 0.048(4) 0.0001(11) O11 0.115(8) 0.115(8) 0.115(8) 0.000(2) 0.038(3) -0.001(2) O12 0.143(11) 0.143(11) 0.143(11) -0.0001(11) 0.048(4) 0.0000(11) O13 0.112(17) 0.098(17) 0.072(12) -0.004(12) 0.027(12) 0.002(15) O14 0.14(2) 0.17(3) 0.14(2) -0.042(19) 0.048(17) 0.05(2) O15 0.21(3) 0.17(3) 0.055(12) -0.027(14) 0.061(16) -0.08(2) O16 0.08(2) 0.56(11) 0.24(4) 0.24(6) 0.08(3) 0.08(4) O17 0.098(15) 0.12(2) 0.114(18) 0.024(16) 0.036(14) -0.007(16) O18 0.077(9) 0.16(2) 0.084(10) -0.006(12) 0.040(8) 0.012(12) O19 0.080(16) 0.21(4) 0.13(2) 0.02(2) 0.048(14) 0.045(18) O20' 0.105(10) 0.105(11) 0.105(10) 0.000(2) 0.035(4) -0.001(2) O20 0.105(10) 0.105(11) 0.105(10) 0.000(2) 0.035(4) -0.001(2) O21 0.149(17) 0.085(14) 0.106(15) 0.007(10) 0.049(13) -0.037(14) O22 0.15(3) 0.15(3) 0.12(2) -0.02(2) 0.025(18) 0.03(2) S1 0.054(3) 0.049(3) 0.058(3) 0.000(3) 0.029(3) 0.005(3) S2 0.050(3) 0.065(4) 0.042(3) 0.005(2) 0.018(2) 0.012(3) S3 0.057(3) 0.047(3) 0.049(3) -0.006(2) 0.018(2) 0.009(3) S4 0.043(3) 0.053(3) 0.041(3) 0.001(2) 0.004(2) -0.002(2) S6 0.063(4) 0.107(7) 0.106(5) -0.050(5) 0.014(4) 0.012(4) S7 0.085(6) 0.084(6) 0.097(6) -0.009(5) 0.014(5) 0.015(5) N1 0.047(10) 0.045(11) 0.072(12) 0.012(9) 0.026(9) 0.005(8) N2 0.099(15) 0.034(9) 0.041(9) 0.011(7) 0.046(10) 0.028(10) N3 0.037(9) 0.032(9) 0.069(11) -0.009(8) 0.015(8) 0.020(7) N4 0.053(11) 0.047(11) 0.069(12) -0.013(9) 0.027(10) -0.009(9) N5 0.098(6) 0.097(6) 0.097(6) -0.001(2) 0.032(3) 0.001(2) N6 0.078(6) 0.078(6) 0.078(6) -0.0001(11) 0.026(2) 0.0000(11) N7 0.14(2) 0.17(3) 0.14(2) -0.042(19) 0.048(17) 0.05(2) N8 0.077(9) 0.16(2) 0.084(10) -0.006(12) 0.040(8) 0.012(12) N9 0.149(17) 0.085(14) 0.106(15) 0.007(10) 0.049(13) -0.037(14) C1 0.058(14) 0.039(12) 0.073(15) 0.023(11) 0.025(12) -0.011(11) C2 0.087(18) 0.046(14) 0.11(2) -0.027(14) 0.079(17) -0.022(13) C3 0.035(12) 0.13(3) 0.074(16) -0.057(17) 0.035(12) -0.037(15) C5 0.070(15) 0.036(11) 0.046(11) -0.013(9) 0.029(11) -0.003(11) C6 0.058(14) 0.10(2) 0.040(11) -0.009(12) 0.033(11) 0.001(13) C7 0.067(15) 0.046(14) 0.095(18) 0.027(13) 0.057(15) 0.013(12) C8 0.046(12) 0.064(15) 0.044(11) 0.002(10) 0.018(10) -0.006(11) C9 0.053(13) 0.033(12) 0.089(16) -0.023(11) 0.024(12) 0.012(10) C10 0.064(6) 0.064(6) 0.065(6) 0.0000(11) 0.021(2) 0.0000(11) C11 0.096(19) 0.032(11) 0.063(14) 0.009(10) 0.051(14) -0.002(12) C12 0.039(11) 0.066(16) 0.067(14) 0.011(12) 0.027(10) -0.003(11) C13 0.037(11) 0.072(16) 0.040(11) -0.017(11) -0.012(9) -0.015(11) C14 0.041(11) 0.075(17) 0.040(11) -0.006(10) 0.012(9) -0.001(11) C15 0.063(14) 0.047(13) 0.050(12) -0.017(10) 0.022(11) -0.004(11) C16 0.064(15) 0.058(15) 0.086(12) -0.048(13) 0.047(12) -0.014(12) C17 0.057(14) 0.063(16) 0.055(9) 0.011(11) 0.004(11) 0.001(12) C18 0.056(13) 0.036(12) 0.089(17) -0.021(11) 0.046(13) -0.002(10) C19 0.021(8) 0.045(11) 0.042(10) -0.010(9) 0.005(7) -0.010(8) C20 0.059(13) 0.034(11) 0.057(13) -0.002(9) 0.021(11) -0.006(10) C21 0.095(19) 0.030(12) 0.089(17) -0.013(11) 0.060(16) -0.002(12) C22 0.071(7) 0.070(7) 0.071(7) 0.000(2) 0.023(3) 0.000(2) C23 0.066(5) 0.066(5) 0.065(5) 0.000(2) 0.022(3) 0.000(2) C24 0.066(5) 0.065(5) 0.065(5) 0.001(2) 0.022(3) 0.000(2) C25 0.064(15) 0.077(18) 0.044(12) 0.002(11) 0.008(11) 0.006(13) C26 0.052(12) 0.033(10) 0.057(13) 0.002(9) 0.040(11) -0.012(9) C27 0.054(12) 0.048(13) 0.040(11) -0.010(9) 0.020(9) 0.002(10) C28 0.065(15) 0.047(14) 0.080(16) -0.006(12) 0.023(13) 0.000(12) C29 0.081(8) 0.081(8) 0.081(8) 0.0001(11) 0.027(3) 0.0000(11) C30 0.057(14) 0.062(15) 0.046(11) -0.019(10) 0.011(10) 0.031(12) C31 0.027(10) 0.026(10) 0.111(19) -0.005(11) 0.010(12) 0.000(8) C32 0.054(12) 0.045(12) 0.033(10) 0.025(9) 0.009(9) -0.003(10) C33 0.097(19) 0.037(12) 0.047(12) 0.007(9) 0.034(12) 0.008(12) C34 0.069(14) 0.045(12) 0.036(10) -0.002(9) 0.029(10) 0.000(11) C35 0.072(16) 0.082(18) 0.048(12) 0.013(12) 0.044(12) 0.014(14) C36 0.099(10) 0.099(10) 0.098(10) 0.000(2) 0.033(4) 0.000(2) C37 0.10(2) 0.13(3) 0.025(11) -0.020(13) 0.011(12) 0.02(2) C38 0.064(7) 0.063(7) 0.063(7) 0.001(2) 0.021(3) 0.001(2) C39 0.061(13) 0.021(9) 0.079(15) -0.011(9) 0.053(12) -0.004(9) C40 0.058(13) 0.064(15) 0.041(11) -0.007(10) 0.016(10) -0.027(12) C41 0.084(18) 0.054(14) 0.040(11) -0.002(10) 0.017(12) 0.009(13) C42 0.080(18) 0.064(17) 0.069(15) -0.008(13) 0.038(14) 0.019(14) C43 0.11(2) 0.037(12) 0.036(10) 0.012(9) 0.026(12) 0.017(13) C44 0.051(13) 0.034(11) 0.084(16) -0.004(11) 0.039(12) -0.013(10) C45 0.065(14) 0.029(11) 0.060(13) 0.014(9) 0.030(11) 0.020(10) C46 0.054(13) 0.065(15) 0.035(10) 0.011(10) 0.016(9) 0.004(11) C47 0.037(10) 0.039(11) 0.061(12) -0.006(10) 0.021(9) -0.007(9) C48 0.066(7) 0.065(7) 0.065(7) 0.000(2) 0.021(3) 0.001(2) C49 0.106(11) 0.106(11) 0.106(11) -0.0001(11) 0.035(4) 0.0001(11) C50 0.069(16) 0.09(2) 0.029(10) -0.002(11) 0.007(10) 0.011(14) C51 0.09(2) 0.061(17) 0.076(17) -0.008(14) 0.037(16) -0.010(16) C52 0.040(11) 0.049(12) 0.027(9) 0.005(8) 0.002(8) 0.004(9) C53 0.051(14) 0.10(2) 0.026(10) -0.005(11) 0.005(9) 0.018(13) C54 0.09(2) 0.072(18) 0.039(12) 0.006(11) -0.018(12) 0.049(16) C55 0.053(14) 0.065(17) 0.088(17) 0.029(14) 0.038(13) 0.028(12) C56 0.045(12) 0.051(14) 0.052(12) -0.001(10) 0.001(10) 0.008(10) C57 0.061(13) 0.034(10) 0.033(9) -0.005(8) 0.025(9) -0.017(9) C58 0.046(12) 0.071(17) 0.045(12) -0.022(11) -0.001(10) 0.029(12) C59 0.077(12) 0.046(14) 0.069(16) -0.021(12) 0.033(14) -0.030(11) C60 0.068(11) 0.061(15) 0.051(12) -0.007(11) 0.029(12) -0.037(11) C61 0.077(17) 0.12(2) 0.030(11) -0.036(13) 0.029(11) -0.037(17) C62 0.108(17) 0.12(3) 0.022(10) 0.021(13) -0.002(13) -0.031(19) C63 0.112(18) 0.08(2) 0.044(13) -0.016(13) 0.029(15) -0.049(16) C64 0.061(16) 0.10(2) 0.063(16) 0.030(15) 0.026(14) -0.005(15) C67 0.112(12) 0.112(12) 0.112(12) 0.000(2) 0.037(4) 0.001(2) C68 0.120(6) 0.120(6) 0.119(6) -0.001(2) 0.040(3) 0.000(2) C69 0.094(9) 0.094(9) 0.094(9) 0.0001(11) 0.031(3) 0.0000(11) C70 0.140(16) 0.140(16) 0.140(16) 0.000(2) 0.047(6) 0.000(2) S5 0.159(5) 0.155(5) 0.156(5) 0.000(2) 0.051(2) 0.003(2) C65 0.156(6) 0.156(5) 0.156(5) 0.0000(11) 0.052(2) 0.0000(11) C66 0.16(2) 0.16(2) 0.16(2) -0.0001(11) 0.053(7) 0.0000(11) C66' 0.16(2) 0.16(2) 0.16(2) -0.0001(11) 0.053(7) 0.0000(11) C65' 0.156(6) 0.156(5) 0.156(5) 0.0000(11) 0.052(2) 0.0000(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 C4 C5 1.211(10) . ? C4 Ag2 2.11(2) . ? C4 Ag9 2.31(3) . ? C4 Ag6 2.32(3) . ? Ag1 C1 2.077(19) . ? Ag1 C7 2.130(19) . ? Ag1 Ag9 2.935(3) . ? Ag1 Ag5 3.185(3) . ? Ag1 Ag8 3.214(3) . ? Ag2 C10 2.11(2) . ? Ag2 Ag7 2.864(3) . ? Ag3 N1 2.277(19) 1_655 ? Ag3 C10 2.36(3) . ? Ag3 O6 2.44(4) . ? Ag3 C11 2.52(2) . ? Ag3 O20' 2.60(7) . ? Ag4 N4 2.19(2) 1_455 ? Ag4 C1 2.34(2) . ? Ag4 C2 2.42(3) . ? Ag4 O18 2.58(2) . ? Ag5 N2 2.269(17) 3_545 ? Ag5 C7 2.40(2) . ? Ag5 C8 2.65(2) . ? Ag6 N3 2.273(15) 3_455 ? Ag6 O5 2.36(2) . ? Ag6 C5 2.43(2) . ? Ag7 C10 2.14(3) . ? Ag7 C7 2.18(3) . ? Ag7 O7 2.569(14) . ? Ag8 O17 2.41(3) . ? Ag8 O11 2.45(3) . ? Ag8 C7 2.47(3) . ? Ag8 O22 2.58(4) . ? Ag8 C8 2.68(2) . ? Ag9 C1 2.31(2) . ? Ag9 O8 2.49(2) . ? O1 C3 1.28(3) . ? O1 C13 1.34(3) . ? O2 C6 1.37(3) . ? O2 C26 1.45(3) . ? O3 C9 1.35(3) . ? O3 C39 1.44(2) . ? O4 C52 1.31(2) . ? O4 C12 1.39(3) . ? O5 S6 1.56(2) . ? O6 S5 1.49(4) . ? O7 S7 1.49(2) . ? O8 N5 1.29(3) . ? O9 N5 1.18(4) . ? O10 N5 1.11(4) . ? O11 N6 1.21(4) . ? O12 N6 1.22(4) . ? O13 N6 1.19(3) . ? O14 N7 1.35(5) . ? O15 N7 1.36(4) . ? O16 N7 1.285(11) . ? O17 N8 1.14(4) . ? O18 N8 1.30(4) . ? O19 N8 1.11(4) . ? O20' N9 1.25(7) . ? O20 N9 1.24(2) . ? O21 N9 1.24(2) . ? O22 N9 1.24(2) . ? S1 C21 1.76(3) . ? S1 C19 1.79(2) . ? S2 C32 1.72(2) . ? S2 C34 1.76(2) . ? S3 C46 1.66(2) . ? S3 C45 1.77(2) . ? S4 C59 1.77(3) . ? S4 C58 1.78(2) . ? S6 C68 1.7102(12) . ? S6 C67 1.80(4) . ? S7 C69 1.7100(12) . ? S7 C70 1.84(5) . ? N1 C19 1.28(3) . ? N1 C20 1.37(3) . ? N1 Ag3 2.277(19) 1_455 ? N2 C32 1.31(3) . ? N2 C33 1.47(3) . ? N2 Ag5 2.269(17) 3_455 ? N3 C45 1.26(3) . ? N3 C47 1.37(3) . ? N3 Ag6 2.273(15) 3_545 ? N4 C58 1.32(3) . ? N4 C60 1.51(3) . ? N4 Ag4 2.19(2) 1_655 ? C1 C2 1.212(10) . ? C2 C3 1.55(3) . ? C3 H3A 0.9700 . ? C3 H3B 0.9700 . ? C5 C6 1.44(3) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C7 C8 1.202(10) . ? C8 C9 1.44(3) . ? C9 H9A 0.9700 . ? C9 H9B 0.9700 . ? C10 C11 1.208(10) . ? C11 C12 1.54(3) . ? C12 H12A 0.9700 . ? C12 H12B 0.9700 . ? C13 C18 1.391(10) . ? C13 C14 1.45(3) . ? C14 C15 1.31(3) . ? C14 H14 0.9300 . ? C15 C16 1.46(4) . ? C15 H15 0.9300 . ? C16 C17 1.53(3) . ? C16 H16 0.9300 . ? C17 C18 1.35(3) . ? C17 H17 0.9300 . ? C18 C19 1.44(3) . ? C20 C25 1.35(3) . ? C20 C21 1.43(4) . ? C21 C22 1.42(4) . ? C22 C23 1.44(4) . ? C22 H22 0.9300 . ? C23 C24 1.23(4) . ? C23 H23 0.9300 . ? C24 C25 1.41(4) . ? C24 H24 0.9300 . ? C25 H25 0.9300 . ? C26 C27 1.25(3) . ? C26 C31 1.28(3) . ? C27 C28 1.42(3) . ? C27 H27 0.9300 . ? C28 C29 1.44(4) . ? C28 H28 0.9300 . ? C29 C30 1.38(4) . ? C29 H29 0.9300 . ? C30 C31 1.42(3) . ? C30 H30 0.9300 . ? C31 C32 1.56(3) . ? C33 C34 1.33(3) . ? C33 C38 1.44(3) . ? C34 C35 1.46(3) . ? C35 C36 1.32(4) . ? C35 H35 0.9300 . ? C36 C37 1.390(10) . ? C36 H36 0.9300 . ? C37 C38 1.31(3) . ? C37 H37 0.9300 . ? C38 H38 0.9300 . ? C39 C44 1.36(3) . ? C39 C40 1.40(3) . ? C40 C41 1.50(3) . ? C40 H40 0.9300 . ? C41 C42 1.393(10) . ? C41 H41 0.9300 . ? C42 C43 1.38(3) . ? C42 H42 0.9300 . ? C43 C44 1.37(3) . ? C43 H43 0.9300 . ? C44 C45 1.42(3) . ? C46 C51 1.47(3) . ? C46 C47 1.50(3) . ? C47 C48 1.395(10) . ? C48 C49 1.34(4) . ? C48 H48 0.9300 . ? C49 C50 1.47(5) . ? C49 H49 0.9300 . ? C50 C51 1.40(4) . ? C50 H50 0.9300 . ? C51 H51 0.9300 . ? C52 C53 1.44(3) . ? C52 C57 1.51(3) . ? C53 C54 1.35(3) . ? C53 H53 0.9300 . ? C54 C55 1.37(4) . ? C54 H54 0.9300 . ? C55 C56 1.38(3) . ? C55 H55 0.9300 . ? C56 C57 1.41(3) . ? C56 H56 0.9300 . ? C57 C58 1.41(3) . ? C59 C64 1.28(4) . ? C59 C60 1.34(4) . ? C60 C61 1.38(3) . ? C61 C62 1.25(3) . ? C61 H61 0.9300 . ? C62 C63 1.35(5) . ? C62 H62 0.9300 . ? C63 C64 1.43(4) . ? C63 H63 0.9300 . ? C64 H64 0.9300 . ? C67 H67A 0.9600 . ? C67 H67B 0.9600 . ? C67 H67C 0.9600 . ? C68 H68A 0.9600 . ? C68 H68B 0.9600 . ? C68 H68C 0.9600 . ? C69 H69A 0.9600 . ? C69 H69B 0.9600 . ? C69 H69C 0.9600 . ? C70 H70A 0.9600 . ? C70 H70B 0.9600 . ? C70 H70C 0.9600 . ? S5 C65 1.777(11) . ? S5 C66' 1.782(11) . ? S5 C66 1.779(11) . ? S5 C65' 1.783(11) . ? C65 H65A 0.9600 . ? C65 H65B 0.9600 . ? C65 H65C 0.9600 . ? C65 H65F 0.5694 . ? C66 H66A 0.9600 . ? C66 H66B 0.9600 . ? C66 H66C 0.9600 . ? C66' H66D 0.9600 . ? C66' H66E 0.9600 . ? C66' H66F 0.9600 . ? C65' H65B 0.7432 . ? C65' H65D 0.9600 . ? C65' H65E 0.9600 . ? C65' H65F 0.9600 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C5 C4 Ag2 171(3) . . ? C5 C4 Ag9 101(2) . . ? Ag2 C4 Ag9 83.8(10) . . ? C5 C4 Ag6 80.1(17) . . ? Ag2 C4 Ag6 105.3(13) . . ? Ag9 C4 Ag6 104.1(13) . . ? C1 Ag1 C7 175.3(10) . . ? C1 Ag1 Ag9 51.4(6) . . ? C7 Ag1 Ag9 124.0(7) . . ? C1 Ag1 Ag7 129.2(7) . . ? C7 Ag1 Ag7 46.1(8) . . ? C1 Ag1 Ag5 132.7(6) . . ? C7 Ag1 Ag5 49.0(6) . . ? Ag9 Ag1 Ag5 139.41(10) . . ? C1 Ag1 Ag8 130.1(6) . . ? C7 Ag1 Ag8 50.3(7) . . ? Ag9 Ag1 Ag8 104.73(10) . . ? C1 Ag1 Ag4 45.2(7) . . ? C7 Ag1 Ag4 139.1(8) . . ? Ag7 Ag1 Ag4 167.72(10) . . ? Ag5 Ag1 Ag4 121.95(9) . . ? C4 Ag2 C10 171.5(12) . . ? C4 Ag2 Ag7 123.9(9) . . ? C10 Ag2 Ag7 48.2(8) . . ? C4 Ag2 Ag9 51.0(9) . . ? C10 Ag2 Ag9 121.3(8) . . ? Ag7 Ag2 Ag9 83.85(9) . . ? C4 Ag2 Ag3 141.6(9) . . ? C10 Ag2 Ag3 45.2(8) . . ? Ag9 Ag2 Ag3 163.73(10) . . ? N1 Ag3 C10 153.7(7) 1_655 . ? N1 Ag3 O6 113.5(10) 1_655 . ? C10 Ag3 O6 87.5(11) . . ? N1 Ag3 C11 125.5(7) 1_655 . ? O6 Ag3 C11 107.1(10) . . ? N1 Ag3 O20' 98.2(15) 1_655 . ? C10 Ag3 O20' 85.3(16) . . ? O6 Ag3 O20' 116.5(18) . . ? C11 Ag3 O20' 94.6(16) . . ? N1 Ag3 Ag2 166.4(5) 1_655 . ? C10 Ag3 Ag2 39.4(6) . . ? O6 Ag3 Ag2 53.8(9) . . ? C11 Ag3 Ag2 66.9(5) . . ? O20' Ag3 Ag2 85.2(15) . . ? N4 Ag4 C1 148.8(7) 1_455 . ? N4 Ag4 C2 119.4(7) 1_455 . ? N4 Ag4 O18 118.7(8) 1_455 . ? C1 Ag4 O18 86.9(8) . . ? C2 Ag4 O18 109.9(8) . . ? N4 Ag4 Ag1 170.4(5) 1_455 . ? C1 Ag4 Ag1 39.1(5) . . ? C2 Ag4 Ag1 68.5(5) . . ? O18 Ag4 Ag1 59.4(6) . . ? N2 Ag5 C7 145.6(6) 3_545 . ? N2 Ag5 C8 118.8(6) 3_545 . ? N2 Ag5 Ag1 170.4(5) 3_545 . ? C7 Ag5 Ag1 42.0(5) . . ? C8 Ag5 Ag1 68.2(5) . . ? N3 Ag6 C4 149.6(7) 3_455 . ? N3 Ag6 O5 98.1(7) 3_455 . ? C4 Ag6 O5 111.7(8) . . ? N3 Ag6 C5 120.4(7) 3_455 . ? O5 Ag6 C5 141.2(7) . . ? C10 Ag7 C7 165.8(9) . . ? C10 Ag7 O7 105.3(8) . . ? C7 Ag7 O7 88.9(7) . . ? C10 Ag7 Ag2 47.2(7) . . ? C7 Ag7 Ag2 125.9(6) . . ? O7 Ag7 Ag2 120.2(4) . . ? C10 Ag7 Ag1 138.1(7) . . ? C7 Ag7 Ag1 44.9(5) . . ? O7 Ag7 Ag1 78.0(5) . . ? O17 Ag8 O11 125.1(9) . . ? O17 Ag8 C7 121.4(7) . . ? O11 Ag8 C7 111.8(8) . . ? O17 Ag8 O22 82.7(10) . . ? O11 Ag8 O22 113.8(10) . . ? C7 Ag8 O22 87.1(9) . . ? O17 Ag8 C8 147.9(7) . . ? O11 Ag8 C8 86.3(8) . . ? O22 Ag8 C8 90.6(9) . . ? O17 Ag8 Ag1 81.7(6) . . ? O11 Ag8 Ag1 142.3(7) . . ? C7 Ag8 Ag1 41.5(4) . . ? O22 Ag8 Ag1 93.8(7) . . ? C8 Ag8 Ag1 67.4(4) . . ? C4 Ag9 C1 144.6(10) . . ? C4 Ag9 O8 99.8(9) . . ? C1 Ag9 O8 104.4(8) . . ? C4 Ag9 Ag1 117.2(7) . . ? C1 Ag9 Ag1 44.7(5) . . ? O8 Ag9 Ag1 143.0(6) . . ? C4 Ag9 Ag2 45.2(5) . . ? C1 Ag9 Ag2 138.8(5) . . ? O8 Ag9 Ag2 112.1(6) . . ? C3 O1 C13 120.6(16) . . ? C6 O2 C26 118.9(16) . . ? C9 O3 C39 122.2(18) . . ? C52 O4 C12 117.8(16) . . ? S6 O5 Ag6 121.5(15) . . ? S5 O6 Ag3 140(2) . . ? S7 O7 Ag7 108.8(11) . . ? N5 O8 Ag9 109(2) . . ? N6 O11 Ag8 106(2) . . ? N8 O17 Ag8 109(3) . . ? N8 O18 Ag4 117(2) . . ? N9 O20' Ag3 113(4) . . ? N9 O22 Ag8 109(2) . . ? C21 S1 C19 90.6(10) . . ? C32 S2 C34 89.4(11) . . ? C46 S3 C45 92.1(11) . . ? C59 S4 C58 90.0(13) . . ? O5 S6 C68 113.0(19) . . ? O5 S6 C67 97.1(19) . . ? C68 S6 C67 99(2) . . ? O7 S7 C69 104.8(16) . . ? O7 S7 C70 112.9(19) . . ? C69 S7 C70 97(2) . . ? C19 N1 C20 115(2) . . ? C19 N1 Ag3 120.1(15) . 1_455 ? C20 N1 Ag3 119.0(15) . 1_455 ? C32 N2 C33 108.7(18) . . ? C32 N2 Ag5 126.9(12) . 3_455 ? C33 N2 Ag5 114.7(13) . 3_455 ? C45 N3 C47 116.3(17) . . ? C45 N3 Ag6 125.9(15) . 3_545 ? C47 N3 Ag6 115.0(13) . 3_545 ? C58 N4 C60 107(2) . . ? C58 N4 Ag4 123.1(15) . 1_655 ? C60 N4 Ag4 120.9(14) . 1_655 ? O10 N5 O9 119(4) . . ? O10 N5 O8 106(3) . . ? O9 N5 O8 132(4) . . ? O13 N6 O11 119(3) . . ? O13 N6 O12 115(3) . . ? O11 N6 O12 126(3) . . ? O16 N7 O15 124(4) . . ? O16 N7 O14 109(4) . . ? O15 N7 O14 124(4) . . ? O19 N8 O17 130(5) . . ? O19 N8 O18 108(4) . . ? O17 N8 O18 119(4) . . ? O20 N9 O21 132(4) . . ? O20 N9 O22 114(4) . . ? O21 N9 O22 113(3) . . ? O20 N9 O20' 57(4) . . ? O21 N9 O20' 93(4) . . ? O22 N9 O20' 140(4) . . ? C2 C1 Ag1 173(2) . . ? C2 C1 Ag9 102.8(18) . . ? Ag1 C1 Ag9 83.9(7) . . ? C2 C1 Ag4 79.1(17) . . ? Ag1 C1 Ag4 95.7(9) . . ? Ag9 C1 Ag4 138.6(10) . . ? C1 C2 C3 169(3) . . ? C1 C2 Ag4 71.4(16) . . ? C3 C2 Ag4 119.4(16) . . ? O1 C3 C2 111(2) . . ? O1 C3 H3A 109.4 . . ? C2 C3 H3A 109.4 . . ? O1 C3 H3B 109.4 . . ? C2 C3 H3B 109.4 . . ? H3A C3 H3B 108.0 . . ? C4 C5 C6 167(2) . . ? C4 C5 Ag6 70.5(17) . . ? C6 C5 Ag6 120.4(16) . . ? O2 C6 C5 110.4(17) . . ? O2 C6 H6A 109.6 . . ? C5 C6 H6A 109.6 . . ? O2 C6 H6B 109.6 . . ? C5 C6 H6B 109.6 . . ? H6A C6 H6B 108.1 . . ? C8 C7 Ag1 163(2) . . ? C8 C7 Ag7 108.0(18) . . ? Ag1 C7 Ag7 89.0(9) . . ? C8 C7 Ag5 88.0(15) . . ? Ag1 C7 Ag5 89.1(7) . . ? Ag7 C7 Ag5 102.4(11) . . ? C8 C7 Ag8 86.1(17) . . ? Ag1 C7 Ag8 88.2(8) . . ? Ag7 C7 Ag8 107.1(9) . . ? Ag5 C7 Ag8 150.3(13) . . ? C7 C8 C9 170(3) . . ? C7 C8 Ag5 65.1(14) . . ? C9 C8 Ag5 119.8(17) . . ? C7 C8 Ag8 67.2(16) . . ? C9 C8 Ag8 112.0(15) . . ? Ag5 C8 Ag8 124.6(8) . . ? O3 C9 C8 113(2) . . ? O3 C9 H9A 109.0 . . ? C8 C9 H9A 109.0 . . ? O3 C9 H9B 109.0 . . ? C8 C9 H9B 109.0 . . ? H9A C9 H9B 107.8 . . ? C11 C10 Ag2 163(2) . . ? C11 C10 Ag7 110(2) . . ? Ag2 C10 Ag7 84.6(9) . . ? C11 C10 Ag3 83.3(17) . . ? Ag2 C10 Ag3 95.4(10) . . ? Ag7 C10 Ag3 124.0(12) . . ? C10 C11 C12 173(2) . . ? C10 C11 Ag3 68.3(16) . . ? C12 C11 Ag3 116.4(14) . . ? O4 C12 C11 106.4(18) . . ? O4 C12 H12A 110.5 . . ? C11 C12 H12A 110.5 . . ? O4 C12 H12B 110.5 . . ? C11 C12 H12B 110.5 . . ? H12A C12 H12B 108.6 . . ? O1 C13 C18 119.0(18) . . ? O1 C13 C14 122.2(17) . . ? C18 C13 C14 119(2) . . ? C15 C14 C13 124(2) . . ? C15 C14 H14 118.1 . . ? C13 C14 H14 118.1 . . ? C14 C15 C16 119(2) . . ? C14 C15 H15 120.3 . . ? C16 C15 H15 120.3 . . ? C15 C16 C17 116.7(19) . . ? C15 C16 H16 121.7 . . ? C17 C16 H16 121.7 . . ? C18 C17 C16 119(2) . . ? C18 C17 H17 120.5 . . ? C16 C17 H17 120.5 . . ? C17 C18 C13 122(2) . . ? C17 C18 C19 115.4(18) . . ? C13 C18 C19 122.8(19) . . ? N1 C19 C18 127(2) . . ? N1 C19 S1 111.8(15) . . ? C18 C19 S1 121.2(14) . . ? C25 C20 N1 130(2) . . ? C25 C20 C21 115(2) . . ? N1 C20 C21 115(2) . . ? C22 C21 C20 126(3) . . ? C22 C21 S1 127(2) . . ? C20 C21 S1 106.9(18) . . ? C21 C22 C23 109(3) . . ? C21 C22 H22 125.3 . . ? C23 C22 H22 125.3 . . ? C24 C23 C22 126(3) . . ? C24 C23 H23 116.8 . . ? C22 C23 H23 116.8 . . ? C23 C24 C25 122(3) . . ? C23 C24 H24 118.9 . . ? C25 C24 H24 118.9 . . ? C20 C25 C24 120(3) . . ? C20 C25 H25 119.9 . . ? C24 C25 H25 119.9 . . ? C27 C26 C31 122(2) . . ? C27 C26 O2 123.9(19) . . ? C31 C26 O2 113.7(19) . . ? C26 C27 C28 121(2) . . ? C26 C27 H27 119.3 . . ? C28 C27 H27 119.3 . . ? C27 C28 C29 117(3) . . ? C27 C28 H28 121.3 . . ? C29 C28 H28 121.3 . . ? C30 C29 C28 119(3) . . ? C30 C29 H29 120.4 . . ? C28 C29 H29 120.4 . . ? C29 C30 C31 114(2) . . ? C29 C30 H30 122.8 . . ? C31 C30 H30 122.8 . . ? C26 C31 C30 125(2) . . ? C26 C31 C32 124(2) . . ? C30 C31 C32 110(2) . . ? N2 C32 C31 120.8(19) . . ? N2 C32 S2 116.5(14) . . ? C31 C32 S2 122.5(17) . . ? C34 C33 C38 122(2) . . ? C34 C33 N2 114.6(19) . . ? C38 C33 N2 123(2) . . ? C33 C34 C35 123(2) . . ? C33 C34 S2 110.6(16) . . ? C35 C34 S2 126.0(18) . . ? C36 C35 C34 114(3) . . ? C36 C35 H35 122.9 . . ? C34 C35 H35 122.9 . . ? C35 C36 C37 120(3) . . ? C35 C36 H36 120.2 . . ? C37 C36 H36 120.2 . . ? C38 C37 C36 130(3) . . ? C38 C37 H37 114.9 . . ? C36 C37 H37 114.9 . . ? C37 C38 C33 110(2) . . ? C37 C38 H38 124.8 . . ? C33 C38 H38 124.8 . . ? C44 C39 C40 125(2) . . ? C44 C39 O3 116.1(19) . . ? C40 C39 O3 118(2) . . ? C39 C40 C41 116(2) . . ? C39 C40 H40 122.1 . . ? C41 C40 H40 122.1 . . ? C42 C41 C40 120.0(19) . . ? C42 C41 H41 120.0 . . ? C40 C41 H41 120.0 . . ? C43 C42 C41 114(2) . . ? C43 C42 H42 123.1 . . ? C41 C42 H42 123.1 . . ? C44 C43 C42 131(2) . . ? C44 C43 H43 114.7 . . ? C42 C43 H43 114.7 . . ? C39 C44 C43 113(2) . . ? C39 C44 C45 123(2) . . ? C43 C44 C45 123(2) . . ? N3 C45 C44 123(2) . . ? N3 C45 S3 111.8(16) . . ? C44 C45 S3 124.8(17) . . ? C51 C46 C47 122(2) . . ? C51 C46 S3 129(2) . . ? C47 C46 S3 109.0(14) . . ? N3 C47 C48 132(2) . . ? N3 C47 C46 110.1(15) . . ? C48 C47 C46 118(2) . . ? C49 C48 C47 123(3) . . ? C49 C48 H48 118.3 . . ? C47 C48 H48 118.3 . . ? C48 C49 C50 117(3) . . ? C48 C49 H49 121.3 . . ? C50 C49 H49 121.3 . . ? C51 C50 C49 127(3) . . ? C51 C50 H50 116.4 . . ? C49 C50 H50 116.4 . . ? C50 C51 C46 112(3) . . ? C50 C51 H51 123.9 . . ? C46 C51 H51 123.9 . . ? O4 C52 C53 129(2) . . ? O4 C52 C57 115.3(16) . . ? C53 C52 C57 115.7(19) . . ? C54 C53 C52 122(2) . . ? C54 C53 H53 119.1 . . ? C52 C53 H53 119.1 . . ? C53 C54 C55 123(2) . . ? C53 C54 H54 118.4 . . ? C55 C54 H54 118.4 . . ? C54 C55 C56 118(2) . . ? C54 C55 H55 121.2 . . ? C56 C55 H55 121.2 . . ? C55 C56 C57 124(2) . . ? C55 C56 H56 117.9 . . ? C57 C56 H56 117.9 . . ? C56 C57 C58 122(2) . . ? C56 C57 C52 116.5(18) . . ? C58 C57 C52 121.7(19) . . ? N4 C58 C57 120(2) . . ? N4 C58 S4 116.0(16) . . ? C57 C58 S4 121.8(19) . . ? C64 C59 C60 122(3) . . ? C64 C59 S4 127(2) . . ? C60 C59 S4 110(2) . . ? C59 C60 C61 120(2) . . ? C59 C60 N4 117(2) . . ? C61 C60 N4 124(3) . . ? C62 C61 C60 118(3) . . ? C62 C61 H61 120.9 . . ? C60 C61 H61 120.9 . . ? C61 C62 C63 124(3) . . ? C61 C62 H62 117.8 . . ? C63 C62 H62 117.8 . . ? C62 C63 C64 117(3) . . ? C62 C63 H63 121.6 . . ? C64 C63 H63 121.6 . . ? C59 C64 C63 118(3) . . ? C59 C64 H64 121.1 . . ? C63 C64 H64 121.1 . . ? S6 C67 H67A 109.5 . . ? S6 C67 H67B 109.5 . . ? H67A C67 H67B 109.5 . . ? S6 C67 H67C 109.5 . . ? H67A C67 H67C 109.5 . . ? H67B C67 H67C 109.5 . . ? S6 C68 H68A 109.5 . . ? S6 C68 H68B 109.5 . . ? H68A C68 H68B 109.5 . . ? S6 C68 H68C 109.5 . . ? H68A C68 H68C 109.5 . . ? H68B C68 H68C 109.5 . . ? S7 C69 H69A 109.5 . . ? S7 C69 H69B 109.5 . . ? H69A C69 H69B 109.5 . . ? S7 C69 H69C 109.5 . . ? H69A C69 H69C 109.5 . . ? H69B C69 H69C 109.5 . . ? S7 C70 H70A 110.0 . . ? S7 C70 H70B 109.2 . . ? H70A C70 H70B 109.5 . . ? S7 C70 H70C 109.2 . . ? H70A C70 H70C 109.5 . . ? H70B C70 H70C 109.5 . . ? O6 S5 C65 98(4) . . ? O6 S5 C66' 129(4) . . ? C65 S5 C66' 131(5) . . ? O6 S5 C66 114(4) . . ? C65 S5 C66 83(6) . . ? C66' S5 C66 67(5) . . ? O6 S5 C65' 117(4) . . ? C66' S5 C65' 113(5) . . ? C66 S5 C65' 94(6) . . ? S5 C65 H65A 110.1 . . ? S5 C65 H65B 110.8 . . ? H65A C65 H65B 109.5 . . ? S5 C65 H65C 107.5 . . ? H65A C65 H65C 109.5 . . ? H65B C65 H65C 109.5 . . ? S5 C65 H65E 89.2 . . ? H65A C65 H65E 159.3 . . ? H65B C65 H65E 68.1 . . ? H65C C65 H65E 55.7 . . ? H65C C65 H65F 94.4 . . ? H65E C65 H65F 83.3 . . ? S5 C66 H66A 109.6 . . ? S5 C66 H66B 108.5 . . ? H66A C66 H66B 109.5 . . ? S5 C66 H66C 110.3 . . ? H66A C66 H66C 109.5 . . ? H66B C66 H66C 109.5 . . ? S5 C66' H66D 109.5 . . ? S5 C66' H66E 108.9 . . ? H66D C66' H66E 109.5 . . ? S5 C66' H66F 110.0 . . ? H66D C66' H66F 109.5 . . ? H66E C66' H66F 109.5 . . ? S5 C65' H65B 126.1 . . ? S5 C65' H65C 92.3 . . ? H65B C65' H65C 94.9 . . ? S5 C65' H65D 107.2 . . ? H65B C65' H65D 70.1 . . ? H65C C65' H65D 160.0 . . ? S5 C65' H65E 112.7 . . ? H65B C65' H65E 118.8 . . ? H65C C65' H65E 65.3 . . ? H65D C65' H65E 109.5 . . ? S5 C65' H65F 108.5 . . ? H65C C65' H65F 58.3 . . ? H65D C65' H65F 109.5 . . ? H65E C65' H65F 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Ag9 C4 Ag2 Ag7 44.6(12) . . . . ? Ag6 C4 Ag2 Ag7 147.5(7) . . . . ? Ag6 C4 Ag2 Ag9 102.9(14) . . . . ? Ag9 C4 Ag2 Ag3 165.1(5) . . . . ? Ag6 C4 Ag2 Ag3 -92.0(15) . . . . ? C4 Ag2 Ag3 N1 21(3) . . . 1_655 ? C10 Ag2 Ag3 N1 -166(2) . . . 1_655 ? Ag7 Ag2 Ag3 N1 155(2) . . . 1_655 ? Ag9 Ag2 Ag3 N1 156(2) . . . 1_655 ? C4 Ag2 Ag3 C10 -172.4(18) . . . . ? Ag7 Ag2 Ag3 C10 -39.0(10) . . . . ? Ag9 Ag2 Ag3 C10 -37.9(11) . . . . ? C4 Ag2 Ag3 O6 44.0(18) . . . . ? C10 Ag2 Ag3 O6 -143.6(14) . . . . ? Ag7 Ag2 Ag3 O6 177.4(10) . . . . ? Ag9 Ag2 Ag3 O6 178.5(11) . . . . ? C4 Ag2 Ag3 C11 179.0(15) . . . . ? C10 Ag2 Ag3 C11 -8.6(12) . . . . ? Ag7 Ag2 Ag3 C11 -47.6(6) . . . . ? Ag9 Ag2 Ag3 C11 -46.6(7) . . . . ? C4 Ag2 Ag3 O20' -84(2) . . . . ? C10 Ag2 Ag3 O20' 88.4(18) . . . . ? Ag7 Ag2 Ag3 O20' 49.4(15) . . . . ? Ag9 Ag2 Ag3 O20' 50.4(15) . . . . ? C7 Ag1 Ag4 C1 -177.1(13) . . . . ? Ag9 Ag1 Ag4 C1 -31.3(8) . . . . ? Ag7 Ag1 Ag4 C1 -68.3(9) . . . . ? Ag5 Ag1 Ag4 C1 120.4(8) . . . . ? Ag8 Ag1 Ag4 C1 -136.0(8) . . . . ? C1 Ag1 Ag4 C2 -2.3(11) . . . . ? C7 Ag1 Ag4 C2 -179.3(12) . . . . ? Ag9 Ag1 Ag4 C2 -33.5(8) . . . . ? Ag7 Ag1 Ag4 C2 -70.6(9) . . . . ? Ag5 Ag1 Ag4 C2 118.2(8) . . . . ? Ag8 Ag1 Ag4 C2 -138.3(8) . . . . ? C1 Ag1 Ag4 O18 128.9(12) . . . . ? C7 Ag1 Ag4 O18 -48.1(12) . . . . ? Ag9 Ag1 Ag4 O18 97.7(8) . . . . ? Ag7 Ag1 Ag4 O18 60.6(9) . . . . ? Ag5 Ag1 Ag4 O18 -110.6(8) . . . . ? Ag8 Ag1 Ag4 O18 -7.1(8) . . . . ? C1 Ag1 Ag5 C7 -174.0(14) . . . . ? Ag9 Ag1 Ag5 C7 -97.1(10) . . . . ? Ag7 Ag1 Ag5 C7 -48.4(10) . . . . ? Ag8 Ag1 Ag5 C7 22.4(10) . . . . ? Ag4 Ag1 Ag5 C7 129.6(10) . . . . ? C1 Ag1 Ag5 C8 177.9(10) . . . . ? C7 Ag1 Ag5 C8 -8.1(11) . . . . ? Ag9 Ag1 Ag5 C8 -105.3(5) . . . . ? Ag7 Ag1 Ag5 C8 -56.5(5) . . . . ? Ag8 Ag1 Ag5 C8 14.3(5) . . . . ? Ag4 Ag1 Ag5 C8 121.5(5) . . . . ? C5 C4 Ag6 N3 -10(3) . . . 3_455 ? Ag2 C4 Ag6 N3 163.1(11) . . . 3_455 ? Ag9 C4 Ag6 N3 -109.5(17) . . . 3_455 ? C5 C4 Ag6 O5 -178.8(18) . . . . ? Ag2 C4 Ag6 O5 -5.6(17) . . . . ? Ag9 C4 Ag6 O5 81.7(12) . . . . ? Ag2 C4 Ag6 C5 173(3) . . . . ? Ag9 C4 Ag6 C5 -99(2) . . . . ? C4 Ag2 Ag7 C10 -176.1(15) . . . . ? Ag9 Ag2 Ag7 C10 -142.9(10) . . . . ? Ag3 Ag2 Ag7 C10 36.8(10) . . . . ? C4 Ag2 Ag7 C7 20.0(13) . . . . ? C10 Ag2 Ag7 C7 -163.9(12) . . . . ? Ag9 Ag2 Ag7 C7 53.3(7) . . . . ? Ag3 Ag2 Ag7 C7 -127.0(7) . . . . ? C4 Ag2 Ag7 O7 -93.2(12) . . . . ? C10 Ag2 Ag7 O7 82.9(11) . . . . ? Ag9 Ag2 Ag7 O7 -59.9(6) . . . . ? Ag3 Ag2 Ag7 O7 119.8(5) . . . . ? C4 Ag2 Ag7 Ag1 -14.7(11) . . . . ? C10 Ag2 Ag7 Ag1 161.5(10) . . . . ? Ag9 Ag2 Ag7 Ag1 18.61(9) . . . . ? Ag3 Ag2 Ag7 Ag1 -161.69(8) . . . . ? C1 Ag1 Ag7 C10 -19.3(13) . . . . ? C7 Ag1 Ag7 C10 159.7(13) . . . . ? Ag9 Ag1 Ag7 C10 1.6(10) . . . . ? Ag5 Ag1 Ag7 C10 -148.8(10) . . . . ? Ag8 Ag1 Ag7 C10 109.7(10) . . . . ? Ag4 Ag1 Ag7 C10 39.1(11) . . . . ? C1 Ag1 Ag7 C7 -179.0(12) . . . . ? Ag9 Ag1 Ag7 C7 -158.1(9) . . . . ? Ag5 Ag1 Ag7 C7 51.6(9) . . . . ? Ag8 Ag1 Ag7 C7 -50.0(9) . . . . ? Ag4 Ag1 Ag7 C7 -120.6(10) . . . . ? C1 Ag1 Ag7 O7 80.3(9) . . . . ? C7 Ag1 Ag7 O7 -100.8(10) . . . . ? Ag9 Ag1 Ag7 O7 101.1(4) . . . . ? Ag5 Ag1 Ag7 O7 -49.2(4) . . . . ? Ag8 Ag1 Ag7 O7 -150.7(4) . . . . ? Ag4 Ag1 Ag7 O7 138.6(6) . . . . ? C1 Ag1 Ag7 Ag2 -39.7(8) . . . . ? C7 Ag1 Ag7 Ag2 139.2(9) . . . . ? Ag9 Ag1 Ag7 Ag2 -18.84(9) . . . . ? Ag5 Ag1 Ag7 Ag2 -169.21(9) . . . . ? Ag8 Ag1 Ag7 Ag2 89.27(9) . . . . ? Ag4 Ag1 Ag7 Ag2 18.7(4) . . . . ? C1 Ag1 Ag8 O17 10.4(11) . . . . ? C7 Ag1 Ag8 O17 -163.4(11) . . . . ? Ag9 Ag1 Ag8 O17 -41.2(7) . . . . ? Ag7 Ag1 Ag8 O17 -117.6(7) . . . . ? Ag5 Ag1 Ag8 O17 174.7(7) . . . . ? Ag4 Ag1 Ag8 O17 50.6(7) . . . . ? C1 Ag1 Ag8 O11 -129.2(13) . . . . ? C7 Ag1 Ag8 O11 56.9(14) . . . . ? Ag9 Ag1 Ag8 O11 179.2(11) . . . . ? Ag7 Ag1 Ag8 O11 102.7(11) . . . . ? Ag5 Ag1 Ag8 O11 35.0(11) . . . . ? Ag4 Ag1 Ag8 O11 -89.1(11) . . . . ? C1 Ag1 Ag8 C7 173.8(12) . . . . ? Ag9 Ag1 Ag8 C7 122.2(9) . . . . ? Ag7 Ag1 Ag8 C7 45.8(9) . . . . ? Ag5 Ag1 Ag8 C7 -21.9(9) . . . . ? Ag4 Ag1 Ag8 C7 -146.0(9) . . . . ? C1 Ag1 Ag8 O22 92.5(11) . . . . ? C7 Ag1 Ag8 O22 -81.4(12) . . . . ? Ag9 Ag1 Ag8 O22 40.9(8) . . . . ? Ag7 Ag1 Ag8 O22 -35.6(8) . . . . ? Ag5 Ag1 Ag8 O22 -103.3(8) . . . . ? Ag4 Ag1 Ag8 O22 132.6(8) . . . . ? C1 Ag1 Ag8 C8 -178.4(10) . . . . ? C7 Ag1 Ag8 C8 7.7(10) . . . . ? Ag9 Ag1 Ag8 C8 130.0(5) . . . . ? Ag7 Ag1 Ag8 C8 53.5(5) . . . . ? Ag5 Ag1 Ag8 C8 -14.2(5) . . . . ? Ag4 Ag1 Ag8 C8 -138.3(5) . . . . ? C5 C4 Ag9 C1 58(3) . . . . ? Ag2 C4 Ag9 C1 -115.7(11) . . . . ? Ag6 C4 Ag9 C1 140.1(11) . . . . ? C5 C4 Ag9 O8 -75(2) . . . . ? Ag2 C4 Ag9 O8 111.5(9) . . . . ? Ag6 C4 Ag9 O8 7.2(10) . . . . ? C5 C4 Ag9 Ag1 106.5(18) . . . . ? Ag2 C4 Ag9 Ag1 -66.7(10) . . . . ? Ag6 C4 Ag9 Ag1 -171.0(4) . . . . ? C5 C4 Ag9 Ag2 173(3) . . . . ? Ag6 C4 Ag9 Ag2 -104.3(13) . . . . ? C1 Ag1 Ag9 C4 -141.6(11) . . . . ? C7 Ag1 Ag9 C4 40.1(11) . . . . ? Ag7 Ag1 Ag9 C4 59.1(7) . . . . ? Ag5 Ag1 Ag9 C4 104.7(7) . . . . ? Ag8 Ag1 Ag9 C4 -11.6(7) . . . . ? Ag4 Ag1 Ag9 C4 -113.5(7) . . . . ? C7 Ag1 Ag9 C1 -178.3(12) . . . . ? Ag7 Ag1 Ag9 C1 -159.3(8) . . . . ? Ag5 Ag1 Ag9 C1 -113.7(8) . . . . ? Ag8 Ag1 Ag9 C1 130.0(8) . . . . ? Ag4 Ag1 Ag9 C1 28.1(8) . . . . ? C1 Ag1 Ag9 O8 41.4(13) . . . . ? C7 Ag1 Ag9 O8 -136.9(13) . . . . ? Ag7 Ag1 Ag9 O8 -118.0(10) . . . . ? Ag5 Ag1 Ag9 O8 -72.3(10) . . . . ? Ag8 Ag1 Ag9 O8 171.4(10) . . . . ? Ag4 Ag1 Ag9 O8 69.5(10) . . . . ? C1 Ag1 Ag9 Ag2 177.6(8) . . . . ? C7 Ag1 Ag9 Ag2 -0.7(9) . . . . ? Ag7 Ag1 Ag9 Ag2 18.24(9) . . . . ? Ag5 Ag1 Ag9 Ag2 63.87(16) . . . . ? Ag8 Ag1 Ag9 Ag2 -52.45(11) . . . . ? Ag4 Ag1 Ag9 Ag2 -154.32(9) . . . . ? C10 Ag2 Ag9 C4 -175.9(15) . . . . ? Ag7 Ag2 Ag9 C4 -144.1(12) . . . . ? Ag3 Ag2 Ag9 C4 -145.2(12) . . . . ? C4 Ag2 Ag9 C1 127.6(14) . . . . ? C10 Ag2 Ag9 C1 -48.3(12) . . . . ? Ag7 Ag2 Ag9 C1 -16.5(9) . . . . ? Ag3 Ag2 Ag9 C1 -17.6(10) . . . . ? C4 Ag2 Ag9 O8 -81.8(13) . . . . ? C10 Ag2 Ag9 O8 102.3(10) . . . . ? Ag7 Ag2 Ag9 O8 134.1(6) . . . . ? Ag3 Ag2 Ag9 O8 133.1(7) . . . . ? C4 Ag2 Ag9 Ag1 125.0(11) . . . . ? C10 Ag2 Ag9 Ag1 -50.9(9) . . . . ? Ag7 Ag2 Ag9 Ag1 -19.15(9) . . . . ? Ag3 Ag2 Ag9 Ag1 -20.2(4) . . . . ? N3 Ag6 O5 S6 159.1(17) 3_455 . . . ? C4 Ag6 O5 S6 -27(2) . . . . ? C5 Ag6 O5 S6 -28(3) . . . . ? N1 Ag3 O6 S5 51(4) 1_655 . . . ? C10 Ag3 O6 S5 -145(4) . . . . ? C11 Ag3 O6 S5 -166(3) . . . . ? O20' Ag3 O6 S5 -62(4) . . . . ? Ag2 Ag3 O6 S5 -123(4) . . . . ? C10 Ag7 O7 S7 68.2(13) . . . . ? C7 Ag7 O7 S7 -112.7(12) . . . . ? Ag2 Ag7 O7 S7 19.1(13) . . . . ? Ag1 Ag7 O7 S7 -68.8(10) . . . . ? C4 Ag9 O8 N5 -116(2) . . . . ? C1 Ag9 O8 N5 90(2) . . . . ? Ag1 Ag9 O8 N5 61(2) . . . . ? Ag2 Ag9 O8 N5 -70(2) . . . . ? O17 Ag8 O11 N6 -101(2) . . . . ? C7 Ag8 O11 N6 64(2) . . . . ? O22 Ag8 O11 N6 161(2) . . . . ? C8 Ag8 O11 N6 72(2) . . . . ? Ag1 Ag8 O11 N6 28(3) . . . . ? O11 Ag8 O17 N8 91(3) . . . . ? C7 Ag8 O17 N8 -72(3) . . . . ? O22 Ag8 O17 N8 -155(3) . . . . ? C8 Ag8 O17 N8 -75(3) . . . . ? Ag1 Ag8 O17 N8 -60(2) . . . . ? N4 Ag4 O18 N8 87(3) 1_455 . . . ? C1 Ag4 O18 N8 -74(3) . . . . ? C2 Ag4 O18 N8 -56(3) . . . . ? Ag1 Ag4 O18 N8 -104(3) . . . . ? N1 Ag3 O20' N9 -134(4) 1_655 . . . ? C10 Ag3 O20' N9 72(4) . . . . ? O6 Ag3 O20' N9 -12(5) . . . . ? C11 Ag3 O20' N9 99(4) . . . . ? Ag2 Ag3 O20' N9 33(4) . . . . ? O17 Ag8 O22 N9 -153(3) . . . . ? O11 Ag8 O22 N9 -27(3) . . . . ? C7 Ag8 O22 N9 85(3) . . . . ? C8 Ag8 O22 N9 59(3) . . . . ? Ag1 Ag8 O22 N9 126(3) . . . . ? Ag6 O5 S6 C68 -122(2) . . . . ? Ag6 O5 S6 C67 135.7(19) . . . . ? Ag7 O7 S7 C69 -90.4(15) . . . . ? Ag7 O7 S7 C70 165.1(17) . . . . ? Ag9 O8 N5 O10 10(4) . . . . ? Ag9 O8 N5 O9 173(4) . . . . ? Ag8 O11 N6 O13 1(3) . . . . ? Ag8 O11 N6 O12 176(3) . . . . ? Ag8 O17 N8 O19 168(4) . . . . ? Ag8 O17 N8 O18 10(4) . . . . ? Ag4 O18 N8 O19 -27(4) . . . . ? Ag4 O18 N8 O17 136(3) . . . . ? Ag8 O22 N9 O20 176(3) . . . . ? Ag8 O22 N9 O21 8(4) . . . . ? Ag8 O22 N9 O20' -118(7) . . . . ? Ag3 O20' N9 O20 44(4) . . . . ? Ag3 O20' N9 O21 -175(3) . . . . ? Ag3 O20' N9 O22 -44(8) . . . . ? Ag7 Ag1 C1 Ag9 26.8(10) . . . . ? Ag5 Ag1 C1 Ag9 125.9(5) . . . . ? Ag8 Ag1 C1 Ag9 -75.7(9) . . . . ? Ag4 Ag1 C1 Ag9 -138.4(10) . . . . ? Ag9 Ag1 C1 Ag4 138.4(10) . . . . ? Ag7 Ag1 C1 Ag4 165.2(2) . . . . ? Ag5 Ag1 C1 Ag4 -95.7(8) . . . . ? Ag8 Ag1 C1 Ag4 62.7(9) . . . . ? C4 Ag9 C1 C2 -107(2) . . . . ? O8 Ag9 C1 C2 25(2) . . . . ? Ag1 Ag9 C1 C2 -180(2) . . . . ? Ag2 Ag9 C1 C2 176.6(17) . . . . ? C4 Ag9 C1 Ag1 72.5(14) . . . . ? O8 Ag9 C1 Ag1 -155.7(7) . . . . ? Ag2 Ag9 C1 Ag1 -3.7(13) . . . . ? C4 Ag9 C1 Ag4 -19(2) . . . . ? O8 Ag9 C1 Ag4 112.7(14) . . . . ? Ag1 Ag9 C1 Ag4 -91.6(15) . . . . ? Ag2 Ag9 C1 Ag4 -95.3(14) . . . . ? N4 Ag4 C1 C2 -5(2) 1_455 . . . ? O18 Ag4 C1 C2 142.2(18) . . . . ? Ag1 Ag4 C1 C2 -176(2) . . . . ? N4 Ag4 C1 Ag1 170.7(11) 1_455 . . . ? C2 Ag4 C1 Ag1 176(2) . . . . ? O18 Ag4 C1 Ag1 -42.1(9) . . . . ? N4 Ag4 C1 Ag9 -102.2(17) 1_455 . . . ? C2 Ag4 C1 Ag9 -97(2) . . . . ? O18 Ag4 C1 Ag9 45.0(14) . . . . ? Ag1 Ag4 C1 Ag9 87.1(14) . . . . ? Ag9 C1 C2 C3 -48(16) . . . . ? Ag4 C1 C2 C3 175(16) . . . . ? Ag9 C1 C2 Ag4 137.7(11) . . . . ? N4 Ag4 C2 C1 177.0(15) 1_455 . . . ? O18 Ag4 C2 C1 -40.6(19) . . . . ? Ag1 Ag4 C2 C1 2.9(14) . . . . ? N4 Ag4 C2 C3 -2(3) 1_455 . . . ? C1 Ag4 C2 C3 -179(4) . . . . ? O18 Ag4 C2 C3 141(2) . . . . ? Ag1 Ag4 C2 C3 -176(3) . . . . ? C13 O1 C3 C2 -163(2) . . . . ? C1 C2 C3 O1 140(15) . . . . ? Ag4 C2 C3 O1 -46(3) . . . . ? Ag9 C4 C5 C6 -106(13) . . . . ? Ag6 C4 C5 C6 151(13) . . . . ? Ag9 C4 C5 Ag6 102.5(14) . . . . ? N3 Ag6 C5 C4 174.1(19) 3_455 . . . ? O5 Ag6 C5 C4 2(3) . . . . ? N3 Ag6 C5 C6 1(2) 3_455 . . . ? C4 Ag6 C5 C6 -173(3) . . . . ? O5 Ag6 C5 C6 -171.3(18) . . . . ? C26 O2 C6 C5 -175.8(18) . . . . ? C4 C5 C6 O2 170(12) . . . . ? Ag6 C5 C6 O2 -42(3) . . . . ? Ag9 Ag1 C7 C8 -151(7) . . . . ? Ag7 Ag1 C7 C8 -178(8) . . . . ? Ag5 Ag1 C7 C8 80(7) . . . . ? Ag8 Ag1 C7 C8 -71(7) . . . . ? Ag4 Ag1 C7 C8 -14(8) . . . . ? Ag9 Ag1 C7 Ag7 26.5(11) . . . . ? Ag5 Ag1 C7 Ag7 -102.4(11) . . . . ? Ag8 Ag1 C7 Ag7 107.2(9) . . . . ? Ag4 Ag1 C7 Ag7 163.8(3) . . . . ? Ag9 Ag1 C7 Ag5 128.8(5) . . . . ? Ag7 Ag1 C7 Ag5 102.4(11) . . . . ? Ag8 Ag1 C7 Ag5 -150.5(12) . . . . ? Ag4 Ag1 C7 Ag5 -93.9(10) . . . . ? Ag9 Ag1 C7 Ag8 -80.7(9) . . . . ? Ag7 Ag1 C7 Ag8 -107.2(9) . . . . ? Ag5 Ag1 C7 Ag8 150.5(12) . . . . ? Ag4 Ag1 C7 Ag8 56.6(11) . . . . ? C10 Ag7 C7 C8 70(4) . . . . ? O7 Ag7 C7 C8 -106.8(19) . . . . ? Ag2 Ag7 C7 C8 125.9(16) . . . . ? Ag1 Ag7 C7 C8 179(2) . . . . ? C10 Ag7 C7 Ag1 -109(3) . . . . ? O7 Ag7 C7 Ag1 73.9(8) . . . . ? Ag2 Ag7 C7 Ag1 -53.5(9) . . . . ? C10 Ag7 C7 Ag5 162(3) . . . . ? O7 Ag7 C7 Ag5 -14.9(7) . . . . ? Ag2 Ag7 C7 Ag5 -142.3(4) . . . . ? Ag1 Ag7 C7 Ag5 -88.8(8) . . . . ? C10 Ag7 C7 Ag8 -22(4) . . . . ? O7 Ag7 C7 Ag8 161.7(8) . . . . ? Ag2 Ag7 C7 Ag8 34.4(10) . . . . ? Ag1 Ag7 C7 Ag8 87.8(9) . . . . ? N2 Ag5 C7 C8 7(3) 3_545 . . . ? Ag1 Ag5 C7 C8 -163(2) . . . . ? N2 Ag5 C7 Ag1 170.5(10) 3_545 . . . ? C8 Ag5 C7 Ag1 163(2) . . . . ? N2 Ag5 C7 Ag7 -100.7(15) 3_545 . . . ? C8 Ag5 C7 Ag7 -108.0(19) . . . . ? Ag1 Ag5 C7 Ag7 88.8(9) . . . . ? N2 Ag5 C7 Ag8 86(2) 3_545 . . . ? C8 Ag5 C7 Ag8 79(2) . . . . ? Ag1 Ag5 C7 Ag8 -84.7(18) . . . . ? O17 Ag8 C7 C8 -176.8(16) . . . . ? O11 Ag8 C7 C8 17.4(19) . . . . ? O22 Ag8 C7 C8 -97.1(18) . . . . ? Ag1 Ag8 C7 C8 164(2) . . . . ? O17 Ag8 C7 Ag1 19.3(13) . . . . ? O11 Ag8 C7 Ag1 -146.5(9) . . . . ? O22 Ag8 C7 Ag1 99.0(10) . . . . ? C8 Ag8 C7 Ag1 -164(2) . . . . ? O17 Ag8 C7 Ag7 -69.1(12) . . . . ? O11 Ag8 C7 Ag7 125.1(10) . . . . ? O22 Ag8 C7 Ag7 10.6(10) . . . . ? C8 Ag8 C7 Ag7 107.7(19) . . . . ? Ag1 Ag8 C7 Ag7 -88.4(9) . . . . ? O17 Ag8 C7 Ag5 104.2(19) . . . . ? O11 Ag8 C7 Ag5 -61.6(19) . . . . ? O22 Ag8 C7 Ag5 -176.1(19) . . . . ? C8 Ag8 C7 Ag5 -79(2) . . . . ? Ag1 Ag8 C7 Ag5 84.9(18) . . . . ? Ag1 C7 C8 C9 159(10) . . . . ? Ag7 C7 C8 C9 -19(15) . . . . ? Ag5 C7 C8 C9 -121(14) . . . . ? Ag8 C7 C8 C9 88(15) . . . . ? Ag1 C7 C8 Ag5 -80(7) . . . . ? Ag7 C7 C8 Ag5 102.3(14) . . . . ? Ag8 C7 C8 Ag5 -150.9(11) . . . . ? Ag1 C7 C8 Ag8 71(7) . . . . ? Ag7 C7 C8 Ag8 -106.8(12) . . . . ? Ag5 C7 C8 Ag8 150.9(11) . . . . ? N2 Ag5 C8 C7 -175.3(18) 3_545 . . . ? Ag1 Ag5 C8 C7 12.0(17) . . . . ? N2 Ag5 C8 C9 -5(2) 3_545 . . . ? C7 Ag5 C8 C9 170(3) . . . . ? Ag1 Ag5 C8 C9 -177.8(19) . . . . ? N2 Ag5 C8 Ag8 151.7(9) 3_545 . . . ? C7 Ag5 C8 Ag8 -33.0(16) . . . . ? Ag1 Ag5 C8 Ag8 -21.0(7) . . . . ? O17 Ag8 C8 C7 5(3) . . . . ? O11 Ag8 C8 C7 -163.9(18) . . . . ? O22 Ag8 C8 C7 82.4(18) . . . . ? Ag1 Ag8 C8 C7 -11.5(15) . . . . ? O17 Ag8 C8 C9 -164.1(17) . . . . ? O11 Ag8 C8 C9 26.9(17) . . . . ? C7 Ag8 C8 C9 -169(3) . . . . ? O22 Ag8 C8 C9 -86.9(18) . . . . ? Ag1 Ag8 C8 C9 179.3(18) . . . . ? O17 Ag8 C8 Ag5 38(2) . . . . ? O11 Ag8 C8 Ag5 -131.5(12) . . . . ? C7 Ag8 C8 Ag5 32.4(14) . . . . ? O22 Ag8 C8 Ag5 114.7(12) . . . . ? Ag1 Ag8 C8 Ag5 20.9(7) . . . . ? C39 O3 C9 C8 -169.6(19) . . . . ? C7 C8 C9 O3 76(15) . . . . ? Ag5 C8 C9 O3 -41(3) . . . . ? Ag8 C8 C9 O3 159.9(15) . . . . ? Ag7 Ag2 C10 C11 -151(9) . . . . ? Ag9 Ag2 C10 C11 -107(8) . . . . ? Ag3 Ag2 C10 C11 85(8) . . . . ? Ag9 Ag2 C10 Ag7 44.6(10) . . . . ? Ag3 Ag2 C10 Ag7 -123.8(12) . . . . ? Ag7 Ag2 C10 Ag3 123.8(12) . . . . ? Ag9 Ag2 C10 Ag3 168.4(3) . . . . ? C7 Ag7 C10 C11 -122(3) . . . . ? O7 Ag7 C10 C11 54(2) . . . . ? Ag2 Ag7 C10 C11 172(3) . . . . ? Ag1 Ag7 C10 C11 143.2(16) . . . . ? C7 Ag7 C10 Ag2 66(4) . . . . ? O7 Ag7 C10 Ag2 -117.2(8) . . . . ? Ag1 Ag7 C10 Ag2 -28.3(14) . . . . ? C7 Ag7 C10 Ag3 -27(4) . . . . ? O7 Ag7 C10 Ag3 149.9(11) . . . . ? Ag2 Ag7 C10 Ag3 -92.9(13) . . . . ? Ag1 Ag7 C10 Ag3 -121.2(11) . . . . ? N1 Ag3 C10 C11 10(3) 1_655 . . . ? O6 Ag3 C10 C11 -134(2) . . . . ? O20' Ag3 C10 C11 109(2) . . . . ? Ag2 Ag3 C10 C11 -163(2) . . . . ? N1 Ag3 C10 Ag2 172.8(13) 1_655 . . . ? O6 Ag3 C10 Ag2 28.7(11) . . . . ? C11 Ag3 C10 Ag2 163(2) . . . . ? O20' Ag3 C10 Ag2 -88.2(17) . . . . ? N1 Ag3 C10 Ag7 -100.1(19) 1_655 . . . ? O6 Ag3 C10 Ag7 115.8(15) . . . . ? C11 Ag3 C10 Ag7 -110(2) . . . . ? O20' Ag3 C10 Ag7 -1.1(19) . . . . ? Ag2 Ag3 C10 Ag7 87.1(13) . . . . ? Ag2 C10 C11 Ag3 -87(8) . . . . ? Ag7 C10 C11 Ag3 123.9(16) . . . . ? N1 Ag3 C11 C10 -174.7(17) 1_655 . . . ? O6 Ag3 C11 C10 48(2) . . . . ? O20' Ag3 C11 C10 -71(2) . . . . ? Ag2 Ag3 C11 C10 11.6(17) . . . . ? N1 Ag3 C11 C12 10(2) 1_655 . . . ? C10 Ag3 C11 C12 -175(3) . . . . ? O6 Ag3 C11 C12 -126.7(18) . . . . ? O20' Ag3 C11 C12 114(2) . . . . ? Ag2 Ag3 C11 C12 -163.4(18) . . . . ? C52 O4 C12 C11 -161.3(19) . . . . ? Ag3 C11 C12 O4 -49(2) . . . . ? C3 O1 C13 C18 176(2) . . . . ? C3 O1 C13 C14 -10(4) . . . . ? O1 C13 C14 C15 180(2) . . . . ? C18 C13 C14 C15 -7(4) . . . . ? C13 C14 C15 C16 1(4) . . . . ? C14 C15 C16 C17 6(4) . . . . ? C15 C16 C17 C18 -8(4) . . . . ? C16 C17 C18 C13 2(4) . . . . ? C16 C17 C18 C19 -177(2) . . . . ? O1 C13 C18 C17 179(2) . . . . ? C14 C13 C18 C17 5(4) . . . . ? O1 C13 C18 C19 -2(4) . . . . ? C14 C13 C18 C19 -176(2) . . . . ? C20 N1 C19 C18 174(2) . . . . ? Ag3 N1 C19 C18 -33(3) 1_455 . . . ? C20 N1 C19 S1 -4(2) . . . . ? Ag3 N1 C19 S1 149.5(11) 1_455 . . . ? C17 C18 C19 N1 -25(4) . . . . ? C13 C18 C19 N1 156(2) . . . . ? C17 C18 C19 S1 152.2(19) . . . . ? C13 C18 C19 S1 -27(3) . . . . ? C21 S1 C19 N1 5.7(18) . . . . ? C21 S1 C19 C18 -172.1(19) . . . . ? C19 N1 C20 C25 -174(3) . . . . ? Ag3 N1 C20 C25 32(3) 1_455 . . . ? C19 N1 C20 C21 -1(3) . . . . ? Ag3 N1 C20 C21 -154.3(16) 1_455 . . . ? C25 C20 C21 C22 -5(4) . . . . ? N1 C20 C21 C22 -180(2) . . . . ? C25 C20 C21 S1 179.1(19) . . . . ? N1 C20 C21 S1 5(2) . . . . ? C19 S1 C21 C22 179(2) . . . . ? C19 S1 C21 C20 -5.6(17) . . . . ? C20 C21 C22 C23 5(4) . . . . ? S1 C21 C22 C23 -180.0(19) . . . . ? C21 C22 C23 C24 0(4) . . . . ? C22 C23 C24 C25 -5(5) . . . . ? N1 C20 C25 C24 173(2) . . . . ? C21 C20 C25 C24 0(4) . . . . ? C23 C24 C25 C20 5(5) . . . . ? C6 O2 C26 C27 -3(3) . . . . ? C6 O2 C26 C31 170(2) . . . . ? C31 C26 C27 C28 5(4) . . . . ? O2 C26 C27 C28 177(2) . . . . ? C26 C27 C28 C29 -3(4) . . . . ? C27 C28 C29 C30 -5(4) . . . . ? C28 C29 C30 C31 9(4) . . . . ? C27 C26 C31 C30 0(4) . . . . ? O2 C26 C31 C30 -173(2) . . . . ? C27 C26 C31 C32 177(2) . . . . ? O2 C26 C31 C32 5(3) . . . . ? C29 C30 C31 C26 -7(4) . . . . ? C29 C30 C31 C32 175(2) . . . . ? C33 N2 C32 C31 178.9(19) . . . . ? Ag5 N2 C32 C31 -37(3) 3_455 . . . ? C33 N2 C32 S2 3(3) . . . . ? Ag5 N2 C32 S2 147.1(13) 3_455 . . . ? C26 C31 C32 N2 159(2) . . . . ? C30 C31 C32 N2 -23(3) . . . . ? C26 C31 C32 S2 -25(3) . . . . ? C30 C31 C32 S2 152.3(18) . . . . ? C34 S2 C32 N2 -0.6(19) . . . . ? C34 S2 C32 C31 -176.0(18) . . . . ? C32 N2 C33 C34 -6(3) . . . . ? Ag5 N2 C33 C34 -154.1(18) 3_455 . . . ? C32 N2 C33 C38 178(2) . . . . ? Ag5 N2 C33 C38 29(3) 3_455 . . . ? C38 C33 C34 C35 -6(4) . . . . ? N2 C33 C34 C35 177(2) . . . . ? C38 C33 C34 S2 -178(2) . . . . ? N2 C33 C34 S2 5(3) . . . . ? C32 S2 C34 C33 -3(2) . . . . ? C32 S2 C34 C35 -175(2) . . . . ? C33 C34 C35 C36 7(4) . . . . ? S2 C34 C35 C36 178(2) . . . . ? C34 C35 C36 C37 -3(5) . . . . ? C35 C36 C37 C38 -2(6) . . . . ? C36 C37 C38 C33 3(5) . . . . ? C34 C33 C38 C37 1(4) . . . . ? N2 C33 C38 C37 177(3) . . . . ? C9 O3 C39 C44 173(2) . . . . ? C9 O3 C39 C40 -6(3) . . . . ? C44 C39 C40 C41 2(3) . . . . ? O3 C39 C40 C41 -179.8(19) . . . . ? C39 C40 C41 C42 -10(3) . . . . ? C40 C41 C42 C43 14(4) . . . . ? C41 C42 C43 C44 -10(4) . . . . ? C40 C39 C44 C43 2(3) . . . . ? O3 C39 C44 C43 -176.2(18) . . . . ? C40 C39 C44 C45 175(2) . . . . ? O3 C39 C44 C45 -3(3) . . . . ? C42 C43 C44 C39 2(4) . . . . ? C42 C43 C44 C45 -171(3) . . . . ? C47 N3 C45 C44 176(2) . . . . ? Ag6 N3 C45 C44 -24(3) 3_545 . . . ? C47 N3 C45 S3 -7(3) . . . . ? Ag6 N3 C45 S3 152.6(12) 3_545 . . . ? C39 C44 C45 N3 155(2) . . . . ? C43 C44 C45 N3 -33(4) . . . . ? C39 C44 C45 S3 -20(3) . . . . ? C43 C44 C45 S3 152(2) . . . . ? C46 S3 C45 N3 2(2) . . . . ? C46 S3 C45 C44 178(2) . . . . ? C45 S3 C46 C51 173(3) . . . . ? C45 S3 C46 C47 2.9(18) . . . . ? C45 N3 C47 C48 -174(3) . . . . ? Ag6 N3 C47 C48 24(3) 3_545 . . . ? C45 N3 C47 C46 9(3) . . . . ? Ag6 N3 C47 C46 -152.6(15) 3_545 . . . ? C51 C46 C47 N3 -178(2) . . . . ? S3 C46 C47 N3 -7(2) . . . . ? C51 C46 C47 C48 5(3) . . . . ? S3 C46 C47 C48 175.5(19) . . . . ? N3 C47 C48 C49 180(3) . . . . ? C46 C47 C48 C49 -4(4) . . . . ? C47 C48 C49 C50 -1(5) . . . . ? C48 C49 C50 C51 5(6) . . . . ? C49 C50 C51 C46 -4(5) . . . . ? C47 C46 C51 C50 -1(4) . . . . ? S3 C46 C51 C50 -170(2) . . . . ? C12 O4 C52 C53 -4(4) . . . . ? C12 O4 C52 C57 173.3(19) . . . . ? O4 C52 C53 C54 -178(3) . . . . ? C57 C52 C53 C54 4(4) . . . . ? C52 C53 C54 C55 -9(5) . . . . ? C53 C54 C55 C56 11(5) . . . . ? C54 C55 C56 C57 -9(4) . . . . ? C55 C56 C57 C58 -179(3) . . . . ? C55 C56 C57 C52 4(3) . . . . ? O4 C52 C57 C56 -179.6(19) . . . . ? C53 C52 C57 C56 -2(3) . . . . ? O4 C52 C57 C58 3(3) . . . . ? C53 C52 C57 C58 -179(2) . . . . ? C60 N4 C58 C57 165(2) . . . . ? Ag4 N4 C58 C57 -47(3) 1_655 . . . ? C60 N4 C58 S4 1(3) . . . . ? Ag4 N4 C58 S4 148.9(14) 1_655 . . . ? C56 C57 C58 N4 -12(4) . . . . ? C52 C57 C58 N4 165(2) . . . . ? C56 C57 C58 S4 151.4(19) . . . . ? C52 C57 C58 S4 -31(3) . . . . ? C59 S4 C58 N4 -3(2) . . . . ? C59 S4 C58 C57 -167(2) . . . . ? C58 S4 C59 C64 176(3) . . . . ? C58 S4 C59 C60 4(2) . . . . ? C64 C59 C60 C61 0(4) . . . . ? S4 C59 C60 C61 172(2) . . . . ? C64 C59 C60 N4 -177(2) . . . . ? S4 C59 C60 N4 -4(3) . . . . ? C58 N4 C60 C59 2(3) . . . . ? Ag4 N4 C60 C59 -146.8(17) 1_655 . . . ? C58 N4 C60 C61 -174(3) . . . . ? Ag4 N4 C60 C61 37(3) 1_655 . . . ? C59 C60 C61 C62 7(4) . . . . ? N4 C60 C61 C62 -177(3) . . . . ? C60 C61 C62 C63 -5(5) . . . . ? C61 C62 C63 C64 -3(5) . . . . ? C60 C59 C64 C63 -7(4) . . . . ? S4 C59 C64 C63 -179(2) . . . . ? C62 C63 C64 C59 9(4) . . . . ? Ag3 O6 S5 C65 22(6) . . . . ? Ag3 O6 S5 C66' -143(5) . . . . ? Ag3 O6 S5 C66 -64(6) . . . . ? Ag3 O6 S5 C65' 45(6) . . . . ? _diffrn_measured_fraction_theta_max 0.987 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.987 _refine_diff_density_max 1.167 _refine_diff_density_min -1.359 _refine_diff_density_rms 0.179 _database_code_depnum_ccdc_archive 'CCDC 914000'