# Electronic Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2012 ####################################################################### # # 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_y _database_code_depnum_ccdc_archive 'CCDC 843903' #TrackingRef 'Py8-Ag-C4.CIF' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C56 H48 Ag6 F12 N16 O17 S4' _chemical_formula_weight 2220.56 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 C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 31.401(6) _cell_length_b 10.116(2) _cell_length_c 26.867(5) _cell_angle_alpha 90.00 _cell_angle_beta 119.53(3) _cell_angle_gamma 90.00 _cell_volume 7426(3) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 9880 _cell_measurement_theta_min 1.6424 _cell_measurement_theta_max 27.4812 _exptl_crystal_description block _exptl_crystal_colour yellow _exptl_crystal_size_max 0.21 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.13 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.986 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4344 _exptl_absorpt_coefficient_mu 1.769 _exptl_absorpt_correction_type numerical _exptl_absorpt_correction_T_min 0.7087 _exptl_absorpt_correction_T_max 0.7727 _exptl_absorpt_process_details 'CrystalClear (Rigaku Inc., 2007)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Rotating Anode' _diffrn_radiation_monochromator Confocal _diffrn_measurement_device_type 'Saturn724+ CCD' _diffrn_measurement_method '\w scans at fixed \c = 45\%' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 24688 _diffrn_reflns_av_R_equivalents 0.0403 _diffrn_reflns_av_sigmaI/netI 0.0318 _diffrn_reflns_limit_h_min -37 _diffrn_reflns_limit_h_max 37 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_theta_min 1.64 _diffrn_reflns_theta_max 25.01 _reflns_number_total 6518 _reflns_number_gt 6091 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CrystalClear (Rigaku Inc., 2007)' _computing_cell_refinement 'CrystalClear (Rigaku Inc., 2007)' _computing_data_reduction 'CrystalClear (Rigaku Inc., 2007)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'XP in Siemens SHELXTL (Sheldrick, 1994)' _computing_publication_material 'SHELX97 (Sheldrick, 1997)' _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^)+(0.1436P)^2^+102.2683P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00047(11) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 6518 _refine_ls_number_parameters 519 _refine_ls_number_restraints 6 _refine_ls_R_factor_all 0.0975 _refine_ls_R_factor_gt 0.0933 _refine_ls_wR_factor_ref 0.2601 _refine_ls_wR_factor_gt 0.2558 _refine_ls_goodness_of_fit_ref 1.104 _refine_ls_restrained_S_all 1.105 _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 0.60174(3) 0.67704(9) 0.32462(3) 0.0571(3) Uani 1 1 d . . . Ag2 Ag 0.58540(3) 0.63152(10) 0.18878(3) 0.0604(3) Uani 1 1 d . . . Ag3 Ag 0.62283(9) 0.4303(3) 0.27168(14) 0.0484(16) Uani 0.46(2) 1 d P A 1 Ag3' Ag 0.6044(8) 0.4160(9) 0.2547(8) 0.165(3) Uani 0.54(2) 1 d P A 2 N1 N 0.4821(3) 0.7227(8) 0.0676(3) 0.057(2) Uani 1 1 d . . . C1 C 0.4487(4) 0.6519(10) 0.0730(4) 0.053(2) Uani 1 1 d . . . C2 C 0.4522(4) 0.5174(10) 0.0808(5) 0.059(3) Uani 1 1 d . . . H2A H 0.4279 0.4698 0.0844 0.071 Uiso 1 1 calc R . . C3 C 0.4904(4) 0.4552(11) 0.0830(5) 0.065(3) Uani 1 1 d . . . H3A H 0.4934 0.3624 0.0892 0.079 Uiso 1 1 calc R . . C4 C 0.5260(4) 0.5229(10) 0.0766(5) 0.064(3) Uani 1 1 d . . . H4A H 0.5531 0.4785 0.0777 0.076 Uiso 1 1 calc R . . C5 C 0.5199(5) 0.6575(10) 0.0686(4) 0.058(3) Uani 1 1 d . . . N2 N 0.5529(4) 0.7347(9) 0.0597(4) 0.065(2) Uani 1 1 d . A . C6 C 0.5334(7) 0.8510(14) 0.0223(6) 0.103(6) Uani 1 1 d . . . H6A H 0.5600 0.8963 0.0202 0.154 Uiso 1 1 calc R . . H6B H 0.5185 0.9115 0.0379 0.154 Uiso 1 1 calc R . . H6C H 0.5086 0.8228 -0.0161 0.154 Uiso 1 1 calc R . . N3 N 0.6248(3) 0.6599(7) 0.1375(4) 0.053(2) Uani 1 1 d . A . C7 C 0.6017(5) 0.7042(10) 0.0840(5) 0.062(3) Uani 1 1 d . . . C8 C 0.6272(6) 0.7242(12) 0.0541(6) 0.080(4) Uani 1 1 d . A . H8A H 0.6106 0.7569 0.0160 0.096 Uiso 1 1 calc R . . C9 C 0.6748(6) 0.6971(13) 0.0792(7) 0.084(4) Uani 1 1 d . . . H9A H 0.6919 0.7075 0.0585 0.101 Uiso 1 1 calc R A . C10 C 0.6999(5) 0.6536(13) 0.1360(7) 0.082(4) Uani 1 1 d . A . H10A H 0.7341 0.6365 0.1552 0.098 Uiso 1 1 calc R . . C11 C 0.6723(4) 0.6368(10) 0.1623(5) 0.058(3) Uani 1 1 d . . . N4 N 0.6948(3) 0.5900(9) 0.2201(4) 0.064(2) Uani 1 1 d . A . C12 C 0.7291(5) 0.4830(16) 0.2388(8) 0.107(5) Uani 1 1 d . . . H12A H 0.7400 0.4635 0.2791 0.160 Uiso 1 1 calc R A . H12B H 0.7573 0.5076 0.2346 0.160 Uiso 1 1 calc R . . H12C H 0.7133 0.4045 0.2156 0.160 Uiso 1 1 calc R . . N5 N 0.7056(3) 0.6053(9) 0.3118(4) 0.054(2) Uani 1 1 d . A . C13 C 0.6917(3) 0.6660(10) 0.2617(5) 0.056(3) Uani 1 1 d . . . C14 C 0.6757(3) 0.7951(10) 0.2528(4) 0.052(2) Uani 1 1 d . A . H14A H 0.6664 0.8375 0.2174 0.062 Uiso 1 1 calc R . . C15 C 0.6734(4) 0.8602(10) 0.2949(5) 0.056(2) Uani 1 1 d . . . H15A H 0.6618 0.9487 0.2890 0.067 Uiso 1 1 calc R A . C16 C 0.6877(3) 0.7998(10) 0.3468(4) 0.052(2) Uani 1 1 d . A . H16A H 0.6864 0.8445 0.3771 0.062 Uiso 1 1 calc R . . C17 C 0.7041(3) 0.6692(10) 0.3525(5) 0.057(3) Uani 1 1 d . . . N6 N 0.7220(3) 0.6022(10) 0.4052(4) 0.065(2) Uani 1 1 d . A . C18 C 0.7638(4) 0.5147(17) 0.4203(6) 0.092(4) Uani 1 1 d . . . H18A H 0.7738 0.4735 0.4575 0.137 Uiso 1 1 calc R A . H18B H 0.7911 0.5663 0.4225 0.137 Uiso 1 1 calc R . . H18C H 0.7545 0.4460 0.3911 0.137 Uiso 1 1 calc R . . N7 N 0.6559(3) 0.6603(8) 0.4180(3) 0.056(2) Uani 1 1 d . A . C19 C 0.7022(4) 0.6138(10) 0.4400(5) 0.063(3) Uani 1 1 d . . . C20 C 0.7272(4) 0.5780(13) 0.4980(5) 0.081(4) Uani 1 1 d . A . H20A H 0.7601 0.5477 0.5145 0.097 Uiso 1 1 calc R . . C21 C 0.7057(5) 0.5856(16) 0.5310(5) 0.095(5) Uani 1 1 d . . . H21A H 0.7231 0.5596 0.5701 0.113 Uiso 1 1 calc R A . C22 C 0.6600(5) 0.6301(14) 0.5079(5) 0.079(4) Uani 1 1 d . A . H22A H 0.6442 0.6366 0.5301 0.095 Uiso 1 1 calc R . . C23 C 0.6356(4) 0.6671(11) 0.4501(5) 0.067(3) Uani 1 1 d . . . N8 N 0.5873(4) 0.7259(10) 0.4249(4) 0.070(3) Uani 1 1 d . . . C24 C 0.5868(6) 0.8682(12) 0.4280(8) 0.094(5) Uani 1 1 d . . . H24A H 0.5529 0.8992 0.4108 0.141 Uiso 1 1 calc R A . H24B H 0.6022 0.9061 0.4073 0.141 Uiso 1 1 calc R . . H24C H 0.6049 0.8960 0.4682 0.141 Uiso 1 1 calc R . . C25 C 0.5569(4) 0.5635(12) 0.2418(4) 0.058(3) Uani 1 1 d . A . C26 C 0.5211(3) 0.5659(13) 0.2476(4) 0.062(3) Uani 1 1 d . . . S1 S 0.66176(17) 0.1867(4) 0.36408(17) 0.0926(11) Uani 1 1 d . A . O1 O 0.6663(9) 0.3122(18) 0.3425(7) 0.192(9) Uani 1 1 d . . . O2 O 0.7023(6) 0.1205(17) 0.3891(6) 0.159(6) Uani 1 1 d . . . O3 O 0.6170(5) 0.1251(17) 0.3273(6) 0.144(6) Uani 1 1 d . . . C27 C 0.6523(5) 0.2110(10) 0.4087(6) 0.071(4) Uani 1 1 d . . . F11 F 0.6368(13) 0.341(3) 0.399(2) 0.34(2) Uani 1 1 d . A . F12 F 0.6959(10) 0.2855(19) 0.4663(6) 0.154(10) Uani 0.60 1 d P A . F12' F 0.609(2) 0.266(6) 0.4107(17) 0.31(5) Uani 0.40 1 d P A . F13 F 0.6538(5) 0.1354(13) 0.4526(5) 0.146(5) Uani 1 1 d . A . S2 S 0.6134(3) 0.1773(5) 0.1680(3) 0.129(2) Uani 1 1 d . A . O4 O 0.5706(11) 0.157(6) 0.1474(16) 0.45(4) Uani 1 1 d . . . O5 O 0.6448(12) 0.100(2) 0.2088(10) 0.281(17) Uani 1 1 d . . . O6 O 0.6187(12) 0.304(2) 0.1895(14) 0.270(16) Uani 1 1 d . . . C28 C 0.6349(7) 0.1615(19) 0.1205(12) 0.188(12) Uiso 1 1 d D . . F21 F 0.6432(8) 0.0312(19) 0.1140(11) 0.331(19) Uani 1 1 d D A . F22 F 0.6007(6) 0.205(2) 0.0683(6) 0.236(10) Uani 1 1 d D A . F23 F 0.6786(4) 0.2217(14) 0.1373(5) 0.144(4) Uani 1 1 d D A . O1W O 0.5517(3) 0.8724(9) 0.1884(4) 0.033(2) Uiso 0.70 1 d P . . O1W' O 0.5504(8) 0.864(2) 0.1720(11) 0.037(6) Uiso 0.30 1 d P A . O2W O 0.5575(5) 0.8918(12) 0.2823(7) 0.131(5) Uani 1 1 d . A . O3W O 0.6824(11) 0.284(4) 0.3000(11) 0.138(10) Uani 0.50 1 d P A . 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 0.0382(4) 0.0736(6) 0.0459(5) -0.0065(3) 0.0102(3) -0.0077(3) Ag2 0.0458(5) 0.0882(7) 0.0538(5) 0.0134(4) 0.0298(4) 0.0031(4) Ag3 0.046(2) 0.0381(15) 0.073(2) 0.0059(9) 0.0375(17) 0.0034(10) Ag3' 0.255(9) 0.108(3) 0.222(7) 0.062(4) 0.186(8) 0.086(4) N1 0.070(5) 0.046(4) 0.043(4) 0.003(3) 0.020(4) 0.011(4) C1 0.053(6) 0.058(6) 0.041(5) -0.001(4) 0.017(4) 0.010(5) C2 0.048(5) 0.044(5) 0.072(7) 0.002(5) 0.019(5) 0.002(4) C3 0.058(6) 0.050(6) 0.077(7) 0.006(5) 0.024(6) 0.001(5) C4 0.060(6) 0.049(5) 0.074(7) -0.003(5) 0.027(5) 0.010(5) C5 0.083(8) 0.045(5) 0.044(5) -0.003(4) 0.029(5) 0.000(5) N2 0.085(7) 0.054(5) 0.061(5) 0.008(4) 0.041(5) -0.005(5) C6 0.159(16) 0.070(8) 0.058(7) 0.020(6) 0.037(9) -0.013(9) N3 0.070(6) 0.036(4) 0.071(6) -0.008(4) 0.048(5) -0.005(4) C7 0.100(9) 0.046(5) 0.060(6) -0.006(5) 0.056(7) -0.009(5) C8 0.134(13) 0.063(7) 0.086(9) -0.013(6) 0.086(9) -0.017(7) C9 0.125(13) 0.076(8) 0.107(11) -0.008(7) 0.100(11) -0.022(8) C10 0.089(9) 0.070(7) 0.133(13) -0.025(8) 0.091(10) -0.017(6) C11 0.063(6) 0.053(6) 0.079(7) -0.004(5) 0.052(6) -0.007(5) N4 0.048(5) 0.067(5) 0.091(7) -0.003(5) 0.044(5) 0.004(4) C12 0.058(7) 0.099(11) 0.163(16) -0.012(11) 0.055(9) 0.023(7) N5 0.030(4) 0.059(5) 0.062(5) 0.010(4) 0.014(4) 0.000(3) C13 0.023(4) 0.060(6) 0.083(7) 0.011(5) 0.026(5) -0.006(4) C14 0.037(5) 0.052(5) 0.062(6) 0.009(4) 0.022(4) -0.011(4) C15 0.050(5) 0.049(5) 0.062(6) 0.007(5) 0.024(5) -0.007(4) C16 0.042(5) 0.050(5) 0.051(5) 0.000(4) 0.014(4) -0.017(4) C17 0.033(5) 0.060(6) 0.062(6) 0.015(5) 0.011(4) -0.011(4) N6 0.048(5) 0.070(6) 0.057(5) 0.022(4) 0.011(4) 0.000(4) C18 0.052(7) 0.119(12) 0.087(9) 0.041(9) 0.021(6) 0.029(7) N7 0.050(5) 0.058(5) 0.039(4) 0.004(3) 0.005(4) -0.020(4) C19 0.044(5) 0.050(5) 0.056(6) 0.008(5) -0.005(5) -0.020(4) C20 0.055(6) 0.089(8) 0.058(7) 0.029(6) -0.004(5) -0.033(6) C21 0.065(8) 0.123(11) 0.042(6) 0.026(7) -0.014(6) -0.048(8) C22 0.073(8) 0.104(10) 0.051(6) 0.001(6) 0.023(6) -0.037(7) C23 0.060(7) 0.057(6) 0.059(6) 0.002(5) 0.011(5) -0.028(5) N8 0.073(6) 0.066(6) 0.063(6) -0.001(4) 0.028(5) -0.023(5) C24 0.086(9) 0.054(7) 0.127(13) 0.000(7) 0.041(9) -0.018(6) C25 0.040(5) 0.087(7) 0.049(5) -0.016(5) 0.023(4) -0.017(5) C26 0.037(5) 0.104(9) 0.044(5) -0.013(5) 0.019(4) -0.007(5) S1 0.109(3) 0.084(2) 0.079(2) -0.0016(18) 0.042(2) 0.005(2) O1 0.29(2) 0.140(13) 0.112(11) 0.040(10) 0.075(14) -0.036(14) O2 0.121(11) 0.195(15) 0.096(9) 0.043(9) 0.004(8) 0.055(11) O3 0.110(9) 0.189(15) 0.118(10) -0.079(10) 0.045(8) -0.053(9) C27 0.083(8) 0.037(5) 0.122(10) 0.039(6) 0.072(8) 0.022(5) F11 0.33(4) 0.22(3) 0.56(7) -0.10(3) 0.28(4) -0.06(2) F12 0.25(2) 0.127(13) 0.071(9) -0.047(9) 0.070(12) -0.121(16) F12' 0.43(8) 0.43(8) 0.17(3) 0.12(4) 0.21(5) 0.37(8) F13 0.191(12) 0.159(10) 0.142(9) -0.042(8) 0.124(10) -0.058(9) S2 0.158(5) 0.098(3) 0.196(6) 0.038(3) 0.139(5) 0.042(3) O4 0.18(2) 0.91(11) 0.33(4) 0.20(5) 0.18(3) 0.00(4) O5 0.48(4) 0.21(2) 0.23(2) 0.176(19) 0.23(3) 0.22(3) O6 0.39(4) 0.158(17) 0.47(4) -0.12(2) 0.38(4) -0.050(19) F21 0.34(3) 0.29(3) 0.52(5) -0.25(3) 0.33(3) -0.13(2) F22 0.216(18) 0.34(3) 0.107(10) 0.013(13) 0.043(11) -0.078(18) F23 0.134(9) 0.204(13) 0.116(8) -0.011(8) 0.080(7) -0.033(9) O2W 0.115(9) 0.095(8) 0.158(12) -0.021(8) 0.048(9) 0.011(7) O3W 0.16(2) 0.19(3) 0.091(16) 0.009(18) 0.076(17) 0.01(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 N7 2.239(8) . ? Ag1 C25 2.273(10) . ? Ag1 O2W 2.527(13) . ? Ag1 C26 2.607(10) . ? Ag1 Ag3 3.102(3) . ? Ag1 Ag3' 3.266(12) . ? Ag2 C25 2.134(10) . ? Ag2 N3 2.279(8) . ? Ag2 O1W' 2.54(2) . ? Ag2 Ag3' 2.684(6) . ? Ag2 Ag3 2.812(3) . ? Ag3 O1 2.085(17) . ? Ag3 O3W 2.20(3) . ? Ag3 C25 2.259(12) . ? Ag3 O6 2.50(2) . ? Ag3' C25 2.014(15) . ? Ag3' O6 2.308(18) . ? Ag3' O1 2.43(2) . ? Ag3' O3W 2.51(4) . ? N1 C1 1.337(14) . ? N1 C5 1.346(15) . ? C1 C2 1.372(14) . ? C1 N8 1.381(14) 2_655 ? C2 C3 1.327(16) . ? C3 C4 1.394(17) . ? C4 C5 1.377(15) . ? C5 N2 1.406(15) . ? N2 C7 1.375(16) . ? N2 C6 1.470(15) . ? N3 C11 1.321(14) . ? N3 C7 1.329(14) . ? C7 C8 1.399(16) . ? C8 C9 1.33(2) . ? C9 C10 1.40(2) . ? C10 C11 1.372(15) . ? C11 N4 1.434(15) . ? N4 C13 1.398(15) . ? N4 C12 1.431(16) . ? N5 C17 1.290(15) . ? N5 C13 1.342(14) . ? C13 C14 1.378(14) . ? C14 C15 1.342(15) . ? C15 C16 1.378(14) . ? C16 C17 1.399(15) . ? C17 N6 1.413(13) . ? N6 C19 1.360(17) . ? N6 C18 1.465(16) . ? N7 C23 1.301(16) . ? N7 C19 1.355(15) . ? C19 C20 1.405(15) . ? C20 C21 1.36(2) . ? C21 C22 1.33(2) . ? C22 C23 1.401(17) . ? C23 N8 1.448(17) . ? N8 C1 1.381(14) 2_655 ? N8 C24 1.443(16) . ? C25 C26 1.211(14) . ? C26 C26 1.392(19) 2_655 ? S1 O2 1.296(14) . ? S1 C27 1.392(14) . ? S1 O3 1.404(13) . ? S1 O1 1.432(16) . ? S1 F11 2.16(3) . ? O1 O3W 1.48(3) . ? C27 F11 1.38(3) . ? C27 F13 1.387(16) . ? C27 F12' 1.51(4) . ? C27 F12 1.66(2) . ? F11 F12' 1.31(8) . ? S2 O4 1.19(3) . ? S2 O5 1.312(18) . ? S2 O6 1.381(19) . ? S2 C28 1.72(4) . ? C28 F22 1.353(18) . ? C28 F23 1.359(19) . ? C28 F21 1.372(19) . ? 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 N7 Ag1 C25 145.2(4) . . ? N7 Ag1 O2W 121.0(4) . . ? C25 Ag1 O2W 93.2(4) . . ? N7 Ag1 C26 139.6(3) . . ? C25 Ag1 C26 27.7(3) . . ? O2W Ag1 C26 84.8(4) . . ? N7 Ag1 Ag3 103.7(3) . . ? C25 Ag1 Ag3 46.6(3) . . ? O2W Ag1 Ag3 132.8(4) . . ? C26 Ag1 Ag3 68.4(3) . . ? N7 Ag1 Ag3' 111.3(4) . . ? C25 Ag1 Ag3' 37.5(5) . . ? O2W Ag1 Ag3' 126.9(4) . . ? C26 Ag1 Ag3' 59.0(5) . . ? Ag3 Ag1 Ag3' 9.5(4) . . ? C25 Ag2 N3 167.1(4) . . ? C25 Ag2 O1W' 97.5(7) . . ? N3 Ag2 O1W' 95.2(6) . . ? C25 Ag2 Ag3' 47.8(4) . . ? N3 Ag2 Ag3' 119.4(3) . . ? O1W' Ag2 Ag3' 143.7(6) . . ? C25 Ag2 Ag3 52.2(3) . . ? N3 Ag2 Ag3 115.5(2) . . ? O1W' Ag2 Ag3 141.9(6) . . ? Ag3' Ag2 Ag3 11.2(5) . . ? O1 Ag3 O3W 40.4(8) . . ? O1 Ag3 C25 137.6(8) . . ? O3W Ag3 C25 174.4(9) . . ? O1 Ag3 O6 103.8(10) . . ? O3W Ag3 O6 68.2(10) . . ? C25 Ag3 O6 110.6(8) . . ? O1 Ag3 Ag2 165.3(6) . . ? O3W Ag3 Ag2 135.3(7) . . ? C25 Ag3 Ag2 48.3(3) . . ? O6 Ag3 Ag2 81.5(7) . . ? O1 Ag3 Ag1 103.6(6) . . ? O3W Ag3 Ag1 135.9(8) . . ? C25 Ag3 Ag1 47.0(3) . . ? O6 Ag3 Ag1 152.5(7) . . ? Ag2 Ag3 Ag1 71.35(8) . . ? C25 Ag3' O6 129.6(12) . . ? C25 Ag3' O1 131.0(9) . . ? O6 Ag3' O1 99.3(11) . . ? C25 Ag3' O3W 159.7(14) . . ? O6 Ag3' O3W 66.4(11) . . ? O1 Ag3' O3W 34.9(8) . . ? C25 Ag3' Ag2 51.7(3) . . ? O6 Ag3' Ag2 87.8(8) . . ? O1 Ag3' Ag2 143.3(11) . . ? O3W Ag3' Ag2 126.7(9) . . ? C25 Ag3' Ag1 43.4(4) . . ? O6 Ag3' Ag1 154.6(8) . . ? O1 Ag3' Ag1 91.5(8) . . ? O3W Ag3' Ag1 116.4(11) . . ? Ag2 Ag3' Ag1 70.26(19) . . ? C1 N1 C5 117.9(9) . . ? N1 C1 C2 122.5(10) . . ? N1 C1 N8 114.7(9) . 2_655 ? C2 C1 N8 122.5(11) . 2_655 ? C3 C2 C1 118.7(11) . . ? C2 C3 C4 121.5(10) . . ? C5 C4 C3 116.5(11) . . ? N1 C5 C4 122.7(11) . . ? N1 C5 N2 116.0(9) . . ? C4 C5 N2 121.2(11) . . ? C7 N2 C5 122.5(9) . . ? C7 N2 C6 119.7(11) . . ? C5 N2 C6 117.8(12) . . ? C11 N3 C7 118.9(9) . . ? C11 N3 Ag2 119.2(7) . . ? C7 N3 Ag2 121.9(8) . . ? N3 C7 N2 118.3(9) . . ? N3 C7 C8 120.6(13) . . ? N2 C7 C8 121.1(12) . . ? C9 C8 C7 119.7(13) . . ? C8 C9 C10 120.5(11) . . ? C11 C10 C9 116.2(13) . . ? N3 C11 C10 124.1(12) . . ? N3 C11 N4 115.8(8) . . ? C10 C11 N4 120.0(12) . . ? C13 N4 C12 118.2(12) . . ? C13 N4 C11 119.5(9) . . ? C12 N4 C11 120.9(11) . . ? C17 N5 C13 119.4(9) . . ? N5 C13 C14 121.1(11) . . ? N5 C13 N4 115.7(9) . . ? C14 C13 N4 123.2(10) . . ? C15 C14 C13 119.1(10) . . ? C14 C15 C16 120.6(10) . . ? C15 C16 C17 116.6(10) . . ? N5 C17 C16 123.1(10) . . ? N5 C17 N6 116.5(10) . . ? C16 C17 N6 120.3(11) . . ? C19 N6 C17 123.8(9) . . ? C19 N6 C18 120.9(9) . . ? C17 N6 C18 115.3(11) . . ? C23 N7 C19 120.0(10) . . ? C23 N7 Ag1 112.9(7) . . ? C19 N7 Ag1 124.9(8) . . ? N7 C19 N6 119.2(9) . . ? N7 C19 C20 117.8(13) . . ? N6 C19 C20 123.0(11) . . ? C21 C20 C19 121.6(13) . . ? C22 C21 C20 118.9(11) . . ? C21 C22 C23 118.8(13) . . ? N7 C23 C22 122.7(12) . . ? N7 C23 N8 116.9(10) . . ? C22 C23 N8 120.2(13) . . ? C1 N8 C24 120.3(12) 2_655 . ? C1 N8 C23 116.6(9) 2_655 . ? C24 N8 C23 115.0(10) . . ? C26 C25 Ag3' 130.5(11) . . ? C26 C25 Ag2 143.2(10) . . ? Ag3' C25 Ag2 80.6(4) . . ? C26 C25 Ag3 135.5(10) . . ? Ag3' C25 Ag3 13.3(7) . . ? Ag2 C25 Ag3 79.5(3) . . ? C26 C25 Ag1 91.7(7) . . ? Ag3' C25 Ag1 99.1(8) . . ? Ag2 C25 Ag1 103.3(4) . . ? Ag3 C25 Ag1 86.4(4) . . ? C25 C26 C26 177.9(12) . 2_655 ? C25 C26 Ag1 60.6(6) . . ? C26 C26 Ag1 121.5(8) 2_655 . ? O2 S1 C27 102.5(9) . . ? O2 S1 O3 121.5(11) . . ? C27 S1 O3 96.8(9) . . ? O2 S1 O1 113.6(14) . . ? C27 S1 O1 107.4(10) . . ? O3 S1 O1 111.9(11) . . ? O2 S1 F11 128.5(14) . . ? C27 S1 F11 38.6(12) . . ? O3 S1 F11 100.0(11) . . ? O1 S1 F11 70.5(14) . . ? S1 O1 O3W 106(2) . . ? S1 O1 Ag3 136.6(14) . . ? O3W O1 Ag3 74.1(13) . . ? S1 O1 Ag3' 125.8(13) . . ? O3W O1 Ag3' 75.5(13) . . ? Ag3 O1 Ag3' 10.9(5) . . ? F11 C27 F13 123(2) . . ? F11 C27 S1 102(2) . . ? F13 C27 S1 134.7(10) . . ? F11 C27 F12' 54(3) . . ? F13 C27 F12' 79.9(19) . . ? S1 C27 F12' 132.9(17) . . ? F11 C27 F12 78.1(19) . . ? F13 C27 F12 77.9(10) . . ? S1 C27 F12 117.1(11) . . ? F12' C27 F12 98(3) . . ? F12' F11 C27 68(2) . . ? F12' F11 S1 97(2) . . ? C27 F11 S1 39.1(11) . . ? F11 F12' C27 58(3) . . ? O4 S2 O5 120(3) . . ? O4 S2 O6 103(3) . . ? O5 S2 O6 108(2) . . ? O4 S2 C28 114(2) . . ? O5 S2 C28 98.9(12) . . ? O6 S2 C28 112.7(11) . . ? S2 O6 Ag3' 138.2(15) . . ? S2 O6 Ag3 142.0(17) . . ? Ag3' O6 Ag3 12.4(6) . . ? F22 C28 F23 111(2) . . ? F22 C28 F21 106(2) . . ? F23 C28 F21 104.4(19) . . ? F22 C28 S2 110(2) . . ? F23 C28 S2 114.5(19) . . ? F21 C28 S2 111(2) . . ? O1 O3W Ag3 65.5(14) . . ? O1 O3W Ag3' 69.6(14) . . ? Ag3 O3W Ag3' 11.1(5) . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 25.01 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.489 _refine_diff_density_min -1.456 _refine_diff_density_rms 0.296 data_y2 _database_code_depnum_ccdc_archive 'CCDC 879131' #TrackingRef 'Py8-Ag-CCPhCC.CIF' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C59 H56 Ag5 B3 F12 N16 O2' _chemical_formula_weight 1820.98 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' B B 0.0013 0.0007 '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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 13.020(3) _cell_length_b 15.085(3) _cell_length_c 18.935(4) _cell_angle_alpha 76.29(3) _cell_angle_beta 84.39(3) _cell_angle_gamma 83.27(3) _cell_volume 3578.9(12) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 9413 _cell_measurement_theta_min 1.3961 _cell_measurement_theta_max 25.3388 _exptl_crystal_description Block _exptl_crystal_colour Yellow _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.13 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.690 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1792 _exptl_absorpt_coefficient_mu 1.427 _exptl_absorpt_correction_type Numerical _exptl_absorpt_correction_T_min 0.7217 _exptl_absorpt_correction_T_max 0.8177 _exptl_absorpt_process_details 'CrystalClear (Rigaku Inc., 2007)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Rotating Anode' _diffrn_radiation_monochromator Confocal _diffrn_measurement_device_type 'Saturn724+ CCD' _diffrn_measurement_method '\w scans at fixed \c = 45\%' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 37536 _diffrn_reflns_av_R_equivalents 0.0728 _diffrn_reflns_av_sigmaI/netI 0.0875 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.07 _diffrn_reflns_theta_max 25.30 _reflns_number_total 13007 _reflns_number_gt 9412 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CrystalClear (Rigaku Inc., 2007)' _computing_cell_refinement 'CrystalClear (Rigaku Inc., 2007)' _computing_data_reduction 'CrystalClear (Rigaku Inc., 2007)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'XP in Siemens SHELXTL (Sheldrick, 1994)' _computing_publication_material 'SHELX97 (Sheldrick, 1997)' _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^)+(0.0862P)^2^+19.2149P] 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 13007 _refine_ls_number_parameters 925 _refine_ls_number_restraints 132 _refine_ls_R_factor_all 0.1146 _refine_ls_R_factor_gt 0.0824 _refine_ls_wR_factor_ref 0.2173 _refine_ls_wR_factor_gt 0.1978 _refine_ls_goodness_of_fit_ref 1.076 _refine_ls_restrained_S_all 1.074 _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 0.23197(8) 1.05833(7) 0.26280(5) 0.0607(3) Uani 1 1 d . . . Ag2 Ag 0.17543(7) 0.86900(6) 0.31873(4) 0.0510(3) Uani 1 1 d . . . Ag3 Ag 0.22345(7) 0.85525(6) 0.16281(4) 0.0508(2) Uani 1 1 d . . . Ag4 Ag 0.34038(6) 0.68381(5) 0.14713(4) 0.0408(2) Uani 1 1 d . . . Ag5 Ag 0.15688(6) 0.61650(5) 0.10154(4) 0.0428(2) Uani 1 1 d . . . N1 N 0.1113(7) 0.4837(5) 0.0982(4) 0.041(2) Uani 1 1 d . . . C1 C 0.1376(9) 0.4437(8) 0.0414(6) 0.050(3) Uani 1 1 d . . . C2 C 0.0858(12) 0.3758(8) 0.0287(6) 0.072(4) Uani 1 1 d . . . H2A H 0.1055 0.3500 -0.0112 0.086 Uiso 1 1 calc R . . C3 C 0.0017(12) 0.3460(10) 0.0780(8) 0.083(5) Uani 1 1 d . . . H3A H -0.0383 0.3036 0.0683 0.100 Uiso 1 1 calc R . . C4 C -0.0222(12) 0.3787(9) 0.1405(7) 0.076(4) Uani 1 1 d . . . H4A H -0.0741 0.3559 0.1751 0.091 Uiso 1 1 calc R . . C5 C 0.0361(8) 0.4492(7) 0.1498(6) 0.046(3) Uani 1 1 d . . . N2 N 0.0131(7) 0.4901(6) 0.2078(5) 0.045(2) Uani 1 1 d . . . C6 C -0.0852(10) 0.4751(10) 0.2521(7) 0.070(4) Uani 1 1 d . . . H6A H -0.1331 0.4559 0.2246 0.105 Uiso 1 1 calc R . . H6B H -0.1140 0.5311 0.2651 0.105 Uiso 1 1 calc R . . H6C H -0.0728 0.4285 0.2955 0.105 Uiso 1 1 calc R . . N3 N 0.0628(7) 0.5878(6) 0.2724(4) 0.042(2) Uani 1 1 d . . . C7 C 0.0930(8) 0.5170(7) 0.2425(5) 0.040(2) Uani 1 1 d . . . C8 C 0.1917(10) 0.4708(8) 0.2466(6) 0.055(3) Uani 1 1 d . . . H8A H 0.2119 0.4241 0.2222 0.066 Uiso 1 1 calc R . . C9 C 0.2582(8) 0.4970(7) 0.2880(6) 0.048(3) Uani 1 1 d . . . H9A H 0.3245 0.4668 0.2926 0.058 Uiso 1 1 calc R . . C10 C 0.2284(9) 0.5679(7) 0.3233(6) 0.047(3) Uani 1 1 d . . . H10A H 0.2730 0.5851 0.3520 0.057 Uiso 1 1 calc R . . C11 C 0.1286(9) 0.6123(7) 0.3137(5) 0.046(3) Uani 1 1 d . . . N4 N 0.0935(7) 0.6876(6) 0.3432(5) 0.048(2) Uani 1 1 d . . . C12 C -0.0113(9) 0.7368(9) 0.3215(8) 0.071(4) Uani 1 1 d . . . H12A H -0.0205 0.7347 0.2722 0.107 Uiso 1 1 calc R . . H12B H -0.0143 0.7995 0.3250 0.107 Uiso 1 1 calc R . . H12C H -0.0653 0.7072 0.3535 0.107 Uiso 1 1 calc R . . N5 N 0.1448(6) 0.7682(6) 0.4212(4) 0.0374(19) Uani 1 1 d . . . C13 C 0.1206(9) 0.6857(7) 0.4148(6) 0.047(3) Uani 1 1 d . . . C14 C 0.1225(10) 0.6117(8) 0.4705(6) 0.056(3) Uani 1 1 d . . . H14A H 0.1082 0.5550 0.4646 0.067 Uiso 1 1 calc R . . C15 C 0.1469(10) 0.6235(8) 0.5378(6) 0.059(3) Uani 1 1 d . . . H15A H 0.1507 0.5730 0.5770 0.071 Uiso 1 1 calc R . . C16 C 0.1656(9) 0.7074(7) 0.5479(6) 0.051(3) Uani 1 1 d . . . H16A H 0.1792 0.7156 0.5932 0.061 Uiso 1 1 calc R . . C17 C 0.1630(7) 0.7781(7) 0.4872(5) 0.037(2) Uani 1 1 d . . . N6 N 0.1838(6) 0.8664(6) 0.4925(4) 0.041(2) Uani 1 1 d . . . C18 C 0.2569(8) 0.8760(8) 0.5439(5) 0.046(3) Uani 1 1 d . . . H18A H 0.2869 0.8164 0.5674 0.069 Uiso 1 1 calc R . . H18B H 0.2208 0.9059 0.5799 0.069 Uiso 1 1 calc R . . H18C H 0.3107 0.9119 0.5180 0.069 Uiso 1 1 calc R . . N7 N 0.1825(7) 1.0220(6) 0.4376(5) 0.047(2) Uani 1 1 d . . . C19 C 0.1309(8) 0.9455(7) 0.4511(5) 0.041(2) Uani 1 1 d . . . C20 C 0.0334(8) 0.9441(8) 0.4281(5) 0.045(3) Uani 1 1 d . . . H20A H -0.0001 0.8908 0.4395 0.054 Uiso 1 1 calc R . . C21 C -0.0135(9) 1.0280(9) 0.3860(7) 0.057(3) Uani 1 1 d . . . H21A H -0.0775 1.0295 0.3676 0.069 Uiso 1 1 calc R . . C22 C 0.0357(8) 1.1062(7) 0.3727(6) 0.049(3) Uani 1 1 d . . . H22A H 0.0043 1.1618 0.3476 0.058 Uiso 1 1 calc R . . C23 C 0.1344(8) 1.1007(8) 0.3978(6) 0.050(3) Uani 1 1 d . . . N8 N 0.1878(7) 1.1800(6) 0.3898(5) 0.054(2) Uani 1 1 d . . . C24 C 0.1299(11) 1.2673(9) 0.3921(9) 0.077(4) Uani 1 1 d . . . H24A H 0.1770 1.3136 0.3853 0.115 Uiso 1 1 calc R . . H24B H 0.0914 1.2629 0.4385 0.115 Uiso 1 1 calc R . . H24C H 0.0828 1.2834 0.3541 0.115 Uiso 1 1 calc R . . N9 N 0.3318(7) 1.1164(6) 0.3254(4) 0.043(2) Uani 1 1 d . . . C25 C 0.2943(8) 1.1742(8) 0.3687(6) 0.049(3) Uani 1 1 d . . . C26 C 0.3572(9) 1.2296(8) 0.3912(6) 0.052(3) Uani 1 1 d . . . H26A H 0.3303 1.2705 0.4197 0.062 Uiso 1 1 calc R . . C27 C 0.4622(9) 1.2204(8) 0.3688(6) 0.056(3) Uani 1 1 d . . . H27A H 0.5054 1.2577 0.3820 0.067 Uiso 1 1 calc R . . C28 C 0.5061(9) 1.1582(7) 0.3277(6) 0.050(3) Uani 1 1 d . . . H28A H 0.5765 1.1516 0.3137 0.060 Uiso 1 1 calc R . . C29 C 0.4341(8) 1.1068(7) 0.3096(5) 0.044(3) Uani 1 1 d . . . N10 N 0.4671(8) 1.0416(6) 0.2651(5) 0.049(2) Uani 1 1 d . . . C30 C 0.5435(10) 1.0694(9) 0.2024(6) 0.065(3) Uani 1 1 d . . . H30A H 0.5586 1.0210 0.1768 0.098 Uiso 1 1 calc R . . H30B H 0.6061 1.0815 0.2198 0.098 Uiso 1 1 calc R . . H30C H 0.5151 1.1239 0.1699 0.098 Uiso 1 1 calc R . . N11 N 0.4820(7) 0.8953(6) 0.2426(4) 0.045(2) Uani 1 1 d . . . C31 C 0.4489(8) 0.9512(7) 0.2893(6) 0.044(2) Uani 1 1 d . . . C32 C 0.4042(8) 0.9156(7) 0.3596(5) 0.043(2) Uani 1 1 d . . . H32A H 0.3812 0.9535 0.3913 0.052 Uiso 1 1 calc R . . C33 C 0.3954(8) 0.8205(7) 0.3802(6) 0.048(3) Uani 1 1 d . . . H33A H 0.3697 0.7946 0.4272 0.057 Uiso 1 1 calc R . . C34 C 0.4241(8) 0.7662(7) 0.3324(6) 0.045(3) Uani 1 1 d . . . H34A H 0.4145 0.7042 0.3450 0.054 Uiso 1 1 calc R . . C35 C 0.4688(7) 0.8069(7) 0.2630(5) 0.037(2) Uani 1 1 d . . . N12 N 0.4985(6) 0.7576(6) 0.2101(5) 0.043(2) Uani 1 1 d . . . C36 C 0.5475(10) 0.8030(7) 0.1390(6) 0.057(3) Uani 1 1 d . . . H36A H 0.5249 0.8674 0.1288 0.086 Uiso 1 1 calc R . . H36B H 0.5278 0.7768 0.1014 0.086 Uiso 1 1 calc R . . H36C H 0.6215 0.7944 0.1406 0.086 Uiso 1 1 calc R . . N13 N 0.4808(6) 0.6123(5) 0.1944(4) 0.0362(18) Uani 1 1 d . . . C37 C 0.5265(7) 0.6608(7) 0.2296(5) 0.039(2) Uani 1 1 d . . . C38 C 0.5969(8) 0.6189(8) 0.2814(6) 0.051(3) Uani 1 1 d . . . H38A H 0.6289 0.6534 0.3060 0.061 Uiso 1 1 calc R . . C39 C 0.6176(9) 0.5250(8) 0.2950(6) 0.058(3) Uani 1 1 d . . . H39A H 0.6590 0.4945 0.3324 0.069 Uiso 1 1 calc R . . C40 C 0.5774(8) 0.4772(7) 0.2536(6) 0.046(3) Uani 1 1 d . . . H40A H 0.5955 0.4145 0.2601 0.055 Uiso 1 1 calc R . . C41 C 0.5091(8) 0.5219(7) 0.2013(5) 0.043(3) Uani 1 1 d . . . N14 N 0.4610(7) 0.4733(6) 0.1602(5) 0.043(2) Uani 1 1 d . . . C42 C 0.4592(9) 0.3758(7) 0.1860(5) 0.045(3) Uani 1 1 d . . . H42A H 0.4905 0.3562 0.2317 0.068 Uiso 1 1 calc R . . H42B H 0.4971 0.3452 0.1510 0.068 Uiso 1 1 calc R . . H42C H 0.3887 0.3608 0.1925 0.068 Uiso 1 1 calc R . . N15 N 0.3385(6) 0.4829(5) 0.0765(4) 0.0364(18) Uani 1 1 d . . . C43 C 0.4193(8) 0.5181(7) 0.0924(5) 0.040(2) Uani 1 1 d . . . C44 C 0.4628(8) 0.5932(6) 0.0470(5) 0.037(2) Uani 1 1 d . . . H44A H 0.5207 0.6151 0.0596 0.044 Uiso 1 1 calc R . . C45 C 0.4175(9) 0.6347(7) -0.0177(6) 0.045(3) Uani 1 1 d . . . H45A H 0.4438 0.6856 -0.0490 0.054 Uiso 1 1 calc R . . C46 C 0.3334(9) 0.5992(7) -0.0344(6) 0.049(3) Uani 1 1 d . . . H46A H 0.2995 0.6265 -0.0763 0.059 Uiso 1 1 calc R . . C47 C 0.3000(8) 0.5203(7) 0.0137(6) 0.044(3) Uani 1 1 d . . . N16 N 0.2187(7) 0.4789(6) -0.0079(4) 0.045(2) Uani 1 1 d . . . C48 C 0.2389(10) 0.4468(10) -0.0766(6) 0.066(4) Uani 1 1 d . . . H48A H 0.1799 0.4188 -0.0847 0.100 Uiso 1 1 calc R . . H48B H 0.2988 0.4028 -0.0731 0.100 Uiso 1 1 calc R . . H48C H 0.2510 0.4980 -0.1165 0.100 Uiso 1 1 calc R . . C49 C 0.2102(8) 0.7531(6) 0.0959(5) 0.036(2) Uani 1 1 d . . . C50 C 0.1498(8) 0.7910(6) 0.0496(5) 0.037(2) Uani 1 1 d . . . C51 C 0.0880(7) 0.8393(7) -0.0054(5) 0.038(2) Uani 1 1 d . . . C52 C 0.1273(8) 0.8600(7) -0.0781(6) 0.048(3) Uani 1 1 d . . . H52A H 0.1959 0.8407 -0.0902 0.057 Uiso 1 1 calc R . . C53 C 0.0648(9) 0.9096(8) -0.1332(6) 0.054(3) Uani 1 1 d . . . H53A H 0.0915 0.9228 -0.1815 0.064 Uiso 1 1 calc R . . C54 C -0.0374(8) 0.9388(6) -0.1150(6) 0.041(2) Uani 1 1 d . . . C55 C -0.0772(9) 0.9170(9) -0.0436(6) 0.061(3) Uani 1 1 d . . . H55A H -0.1465 0.9347 -0.0321 0.074 Uiso 1 1 calc R . . C56 C -0.0156(9) 0.8690(9) 0.0116(6) 0.060(3) Uani 1 1 d . . . H56A H -0.0430 0.8566 0.0597 0.071 Uiso 1 1 calc R . . C57 C -0.1013(8) 0.9925(6) -0.1726(5) 0.036(2) Uani 1 1 d . . . C58 C -0.1543(8) 1.0364(7) -0.2194(6) 0.045(3) Uani 1 1 d . . . B1 B 0.3392(9) 1.1942(8) 0.0624(7) 0.074(5) Uani 1 1 d D . . F11 F 0.3030(17) 1.2667(10) 0.0931(9) 0.142(10) Uani 0.61(3) 1 d PD A 1 F12 F 0.4396(9) 1.2017(14) 0.0399(8) 0.103(8) Uani 0.61(3) 1 d PD A 1 F13 F 0.3249(13) 1.1150(8) 0.1107(7) 0.083(6) Uani 0.61(3) 1 d PD A 1 F11' F 0.277(2) 1.209(4) 0.1209(14) 0.27(3) Uiso 0.39(3) 1 d PD A 2 F12' F 0.411(3) 1.255(2) 0.0446(18) 0.24(3) Uani 0.39(3) 1 d PD A 2 F13' F 0.388(4) 1.1069(15) 0.079(3) 0.23(3) Uani 0.39(3) 1 d PD A 2 F14 F 0.2826(8) 1.1999(8) 0.0046(6) 0.150(5) Uani 1 1 d D A . B2 B 0.2274(8) 0.7626(7) 0.7452(5) 0.059(4) Uani 1 1 d D . . F21 F 0.1282(5) 0.7619(6) 0.7297(4) 0.094(3) Uani 1 1 d D . . F22 F 0.2445(7) 0.8533(6) 0.7377(5) 0.115(4) Uani 1 1 d D . . F23 F 0.2959(6) 0.7260(5) 0.6970(4) 0.086(2) Uani 1 1 d D . . F24 F 0.2422(6) 0.7143(8) 0.8144(4) 0.132(4) Uani 1 1 d D . . B3 B 0.7469(13) 0.6457(11) 0.4502(8) 0.192(15) Uani 1 1 d DU . . F31 F 0.7733(12) 0.5944(9) 0.3996(7) 0.142(7) Uani 0.840(18) 1 d PD B 1 F32 F 0.7561(13) 0.5945(8) 0.5189(7) 0.147(7) Uani 0.840(18) 1 d PD B 1 F33 F 0.6456(14) 0.6820(11) 0.4436(10) 0.211(11) Uani 0.840(18) 1 d PD B 1 F34 F 0.809(2) 0.7158(16) 0.4386(14) 0.47(3) Uiso 0.840(18) 1 d PD B 1 F31' F 0.733(4) 0.677(5) 0.379(2) 0.16(4) Uani 0.160(18) 1 d PDU B 2 F32' F 0.725(5) 0.715(4) 0.485(4) 0.7(3) Uiso 0.160(18) 1 d PD B 2 F33' F 0.687(3) 0.579(3) 0.480(2) 0.072(18) Uiso 0.160(18) 1 d PD B 2 F34' F 0.848(3) 0.612(3) 0.459(3) 0.09(2) Uani 0.160(18) 1 d PDU B 2 O1W O 0.1551(12) 1.2289(8) 0.2120(7) 0.138(5) Uani 1 1 d . . . O1 O 0.3320(8) 0.9495(6) 0.0676(5) 0.070(3) Uani 1 1 d . . . H1 H 0.3365 0.9941 0.0779 0.105 Uiso 1 1 d G . . C59 C 0.3616(11) 0.9499(10) -0.0063(7) 0.074(4) Uani 1 1 d . . . H59A H 0.4049 0.9985 -0.0264 0.111 Uiso 1 1 calc R . . H59B H 0.3009 0.9592 -0.0331 0.111 Uiso 1 1 calc R . . H59C H 0.3993 0.8922 -0.0096 0.111 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.0804(7) 0.0589(6) 0.0476(5) -0.0177(4) -0.0046(5) -0.0147(5) Ag2 0.0743(6) 0.0462(5) 0.0291(4) -0.0067(3) -0.0081(4) 0.0080(4) Ag3 0.0664(6) 0.0446(5) 0.0412(5) -0.0164(4) -0.0013(4) 0.0067(4) Ag4 0.0405(4) 0.0416(4) 0.0377(4) -0.0086(3) -0.0099(3) 0.0118(3) Ag5 0.0493(5) 0.0386(4) 0.0390(4) -0.0086(3) 0.0044(3) -0.0045(4) N1 0.055(5) 0.030(4) 0.036(5) -0.004(3) 0.005(4) -0.005(4) C1 0.064(7) 0.048(6) 0.040(6) -0.018(5) 0.006(5) -0.005(6) C2 0.124(12) 0.061(8) 0.036(6) -0.027(6) 0.034(7) -0.030(8) C3 0.114(12) 0.070(9) 0.077(10) -0.035(8) 0.033(9) -0.053(9) C4 0.105(11) 0.068(9) 0.063(9) -0.024(7) 0.016(8) -0.046(8) C5 0.054(7) 0.044(6) 0.044(6) -0.016(5) 0.006(5) -0.011(5) N2 0.053(5) 0.043(5) 0.042(5) -0.017(4) 0.010(4) -0.010(4) C6 0.060(8) 0.097(11) 0.056(8) -0.020(7) 0.014(6) -0.028(8) N3 0.051(5) 0.039(5) 0.035(5) -0.008(4) 0.012(4) -0.005(4) C7 0.035(6) 0.047(6) 0.035(5) -0.010(4) 0.007(4) 0.001(5) C8 0.082(9) 0.048(7) 0.036(6) -0.010(5) 0.008(6) -0.020(6) C9 0.040(6) 0.043(6) 0.055(7) 0.001(5) 0.003(5) -0.004(5) C10 0.053(7) 0.046(6) 0.041(6) -0.015(5) 0.001(5) 0.007(5) C11 0.066(7) 0.046(6) 0.025(5) -0.005(4) -0.011(5) 0.002(5) N4 0.055(6) 0.050(5) 0.037(5) -0.017(4) -0.004(4) 0.015(4) C12 0.042(7) 0.082(9) 0.104(11) -0.054(8) -0.023(7) 0.019(6) N5 0.032(4) 0.047(5) 0.031(4) -0.009(4) 0.002(3) 0.001(4) C13 0.052(7) 0.043(6) 0.039(6) -0.006(5) 0.002(5) 0.007(5) C14 0.084(9) 0.038(6) 0.043(6) -0.005(5) 0.007(6) -0.010(6) C15 0.085(9) 0.044(7) 0.035(6) 0.007(5) 0.001(6) 0.013(6) C16 0.070(8) 0.036(6) 0.043(6) -0.004(5) 0.001(6) -0.007(5) C17 0.032(5) 0.047(6) 0.029(5) -0.007(4) 0.000(4) 0.002(4) N6 0.044(5) 0.042(5) 0.035(5) -0.001(4) -0.003(4) -0.009(4) C18 0.050(6) 0.055(7) 0.033(6) -0.006(5) -0.012(5) -0.003(5) N7 0.057(6) 0.045(5) 0.040(5) -0.019(4) -0.005(4) 0.015(5) C19 0.050(6) 0.044(6) 0.028(5) -0.012(4) -0.002(4) 0.009(5) C20 0.046(6) 0.053(7) 0.038(6) -0.019(5) -0.006(5) 0.005(5) C21 0.044(7) 0.069(8) 0.059(8) -0.023(6) -0.005(6) 0.010(6) C22 0.046(6) 0.041(6) 0.056(7) -0.014(5) -0.012(5) 0.017(5) C23 0.045(6) 0.048(7) 0.061(7) -0.027(6) -0.004(5) 0.015(5) N8 0.048(6) 0.041(5) 0.070(7) -0.015(5) -0.006(5) 0.014(4) C24 0.067(9) 0.062(8) 0.108(12) -0.040(8) 0.000(8) 0.003(7) N9 0.052(6) 0.047(5) 0.029(4) -0.007(4) -0.015(4) 0.001(4) C25 0.045(6) 0.049(6) 0.045(6) -0.006(5) 0.002(5) 0.015(5) C26 0.060(7) 0.054(7) 0.042(6) -0.014(5) -0.004(5) -0.007(6) C27 0.060(8) 0.056(7) 0.053(7) -0.021(6) 0.012(6) -0.014(6) C28 0.057(7) 0.037(6) 0.052(7) -0.006(5) 0.004(5) -0.001(5) C29 0.050(7) 0.033(5) 0.039(6) 0.000(4) 0.000(5) 0.013(5) N10 0.074(7) 0.034(5) 0.039(5) -0.014(4) 0.003(5) 0.003(4) C30 0.078(9) 0.065(8) 0.050(7) -0.016(6) 0.022(6) -0.014(7) N11 0.050(5) 0.047(5) 0.035(5) -0.005(4) -0.003(4) -0.003(4) C31 0.041(6) 0.050(6) 0.040(6) -0.008(5) -0.008(5) 0.004(5) C32 0.052(6) 0.040(6) 0.031(5) -0.011(4) 0.011(5) 0.011(5) C33 0.049(6) 0.051(7) 0.041(6) -0.010(5) 0.003(5) -0.001(5) C34 0.048(6) 0.044(6) 0.045(6) -0.017(5) 0.002(5) 0.002(5) C35 0.028(5) 0.056(7) 0.030(5) -0.013(5) -0.003(4) -0.003(5) N12 0.038(5) 0.046(5) 0.041(5) -0.013(4) 0.011(4) 0.007(4) C36 0.076(8) 0.038(6) 0.048(7) 0.001(5) 0.002(6) 0.005(6) N13 0.034(4) 0.043(5) 0.026(4) -0.003(3) -0.001(3) 0.007(4) C37 0.023(5) 0.052(6) 0.036(5) -0.004(5) -0.005(4) 0.013(4) C38 0.035(6) 0.064(8) 0.049(7) -0.007(5) -0.012(5) 0.007(5) C39 0.050(7) 0.064(8) 0.049(7) 0.005(6) -0.024(6) 0.012(6) C40 0.050(6) 0.040(6) 0.041(6) -0.004(5) -0.008(5) 0.014(5) C41 0.038(6) 0.038(6) 0.039(6) 0.003(4) 0.014(4) 0.013(5) N14 0.051(5) 0.037(5) 0.040(5) -0.006(4) -0.007(4) 0.003(4) C42 0.061(7) 0.041(6) 0.028(5) 0.003(4) -0.001(5) -0.004(5) N15 0.049(5) 0.037(4) 0.023(4) -0.008(3) -0.001(4) 0.000(4) C43 0.055(7) 0.041(6) 0.022(5) -0.010(4) -0.003(4) 0.012(5) C44 0.045(6) 0.031(5) 0.036(5) -0.010(4) -0.002(4) -0.004(4) C45 0.058(7) 0.038(6) 0.040(6) -0.013(5) 0.006(5) -0.005(5) C46 0.059(7) 0.046(6) 0.035(6) 0.001(5) -0.004(5) 0.002(5) C47 0.048(6) 0.036(6) 0.050(7) -0.020(5) 0.002(5) 0.000(5) N16 0.055(6) 0.046(5) 0.033(5) -0.013(4) 0.012(4) -0.007(4) C48 0.070(8) 0.094(10) 0.037(6) -0.019(6) -0.003(6) -0.006(7) C49 0.046(6) 0.035(5) 0.026(5) -0.002(4) -0.006(4) 0.002(4) C50 0.047(6) 0.034(5) 0.036(5) -0.016(4) 0.005(5) -0.010(5) C51 0.037(5) 0.037(5) 0.040(6) -0.009(4) -0.010(4) 0.002(4) C52 0.026(5) 0.055(7) 0.060(7) -0.021(5) -0.006(5) 0.020(5) C53 0.052(7) 0.073(8) 0.025(5) -0.002(5) -0.009(5) 0.025(6) C54 0.056(7) 0.023(5) 0.043(6) -0.007(4) -0.002(5) -0.003(5) C55 0.044(7) 0.079(9) 0.050(7) -0.006(6) -0.007(5) 0.024(6) C56 0.054(7) 0.087(9) 0.027(6) 0.002(6) -0.003(5) 0.005(6) C57 0.043(6) 0.030(5) 0.036(5) -0.011(4) -0.007(5) -0.001(4) C58 0.036(6) 0.052(6) 0.043(6) -0.016(5) -0.004(5) 0.020(5) B1 0.074(12) 0.074(12) 0.086(13) -0.034(10) -0.006(10) -0.018(10) F11 0.24(3) 0.070(12) 0.109(15) -0.030(10) 0.035(15) -0.030(13) F12 0.088(11) 0.097(16) 0.118(14) 0.021(10) -0.026(9) -0.061(10) F13 0.118(13) 0.036(8) 0.092(11) 0.000(7) -0.007(9) -0.029(8) F12' 0.38(8) 0.10(3) 0.27(6) -0.06(3) 0.06(5) -0.16(4) F13' 0.21(5) 0.15(4) 0.40(8) -0.14(5) -0.19(6) 0.06(4) F14 0.134(10) 0.192(13) 0.127(10) -0.017(9) -0.039(8) -0.047(9) B2 0.061(9) 0.084(11) 0.041(7) -0.010(7) -0.001(6) -0.057(8) F21 0.068(5) 0.104(6) 0.090(6) 0.026(5) -0.037(5) -0.002(5) F22 0.105(7) 0.104(7) 0.156(9) -0.079(7) 0.061(6) -0.050(6) F23 0.129(7) 0.053(4) 0.067(5) -0.013(4) -0.003(5) 0.022(4) F24 0.072(6) 0.251(13) 0.040(4) 0.022(6) -0.010(4) 0.011(7) B3 0.190(18) 0.194(18) 0.195(18) -0.048(10) -0.011(10) -0.022(10) F31 0.209(16) 0.104(10) 0.128(12) -0.056(8) -0.077(11) 0.037(10) F32 0.249(19) 0.088(9) 0.097(10) -0.012(7) -0.057(11) 0.031(10) F33 0.24(2) 0.151(15) 0.26(2) -0.114(15) -0.119(18) 0.107(14) F31' 0.15(4) 0.16(4) 0.16(4) -0.02(2) -0.02(2) -0.03(2) F34' 0.08(2) 0.08(2) 0.10(3) 0.015(17) -0.002(17) -0.021(17) O1W 0.200(15) 0.092(9) 0.112(10) -0.038(8) -0.017(10) 0.055(9) O1 0.093(7) 0.051(5) 0.063(6) -0.012(4) 0.016(5) -0.011(5) C59 0.086(10) 0.082(10) 0.058(8) -0.015(7) 0.000(7) -0.030(8) _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 C58 2.190(11) 2_575 ? Ag1 N9 2.219(8) . ? Ag1 Ag2 2.9543(15) . ? Ag2 C58 2.094(11) 2_575 ? Ag2 N5 2.198(8) . ? Ag2 Ag3 3.0082(13) . ? Ag3 C58 2.221(10) 2_575 ? Ag3 C49 2.244(10) . ? Ag3 O1 2.455(9) . ? Ag3 C57 2.669(9) 2_575 ? Ag3 Ag4 2.9063(14) . ? Ag4 C49 2.082(9) . ? Ag4 N13 2.170(8) . ? Ag4 Ag5 2.9786(13) . ? Ag5 N1 2.172(8) . ? Ag5 C49 2.227(10) . ? Ag5 C50 2.577(10) . ? N1 C1 1.350(13) . ? N1 C5 1.369(13) . ? C1 C2 1.370(16) . ? C1 N16 1.405(13) . ? C2 C3 1.411(17) . ? C3 C4 1.383(17) . ? C4 C5 1.428(15) . ? C5 N2 1.376(12) . ? N2 C7 1.427(13) . ? N2 C6 1.470(13) . ? N3 C7 1.327(12) . ? N3 C11 1.351(13) . ? C7 C8 1.388(15) . ? C8 C9 1.372(16) . ? C9 C10 1.389(15) . ? C10 C11 1.398(15) . ? C11 N4 1.392(13) . ? N4 C13 1.428(13) . ? N4 C12 1.520(13) . ? N5 C17 1.339(12) . ? N5 C13 1.352(13) . ? C13 C14 1.342(14) . ? C14 C15 1.398(16) . ? C15 C16 1.377(15) . ? C16 C17 1.372(14) . ? C17 N6 1.418(13) . ? N6 C19 1.407(12) . ? N6 C18 1.468(12) . ? N7 C19 1.363(14) . ? N7 C23 1.364(13) . ? C19 C20 1.386(14) . ? C20 C21 1.431(15) . ? C21 C22 1.367(16) . ? C22 C23 1.400(15) . ? C23 N8 1.423(15) . ? N8 C25 1.403(14) . ? N8 C24 1.448(14) . ? N9 C29 1.335(13) . ? N9 C25 1.352(13) . ? C25 C26 1.396(16) . ? C26 C27 1.393(16) . ? C27 C28 1.394(15) . ? C28 C29 1.399(15) . ? C29 N10 1.444(12) . ? N10 C31 1.372(13) . ? N10 C30 1.486(14) . ? N11 C35 1.324(13) . ? N11 C31 1.369(13) . ? C31 C32 1.407(14) . ? C32 C33 1.410(14) . ? C33 C34 1.357(14) . ? C34 C35 1.413(14) . ? C35 N12 1.384(12) . ? N12 C37 1.430(13) . ? N12 C36 1.479(13) . ? N13 C37 1.321(13) . ? N13 C41 1.350(12) . ? C37 C38 1.394(13) . ? C38 C39 1.377(16) . ? C39 C40 1.359(16) . ? C40 C41 1.393(14) . ? C41 N14 1.417(14) . ? N14 C43 1.429(12) . ? N14 C42 1.439(12) . ? N15 C47 1.309(13) . ? N15 C43 1.323(13) . ? C43 C44 1.392(14) . ? C44 C45 1.389(14) . ? C45 C46 1.369(15) . ? C46 C47 1.402(14) . ? C47 N16 1.427(13) . ? N16 C48 1.482(13) . ? C49 C50 1.226(13) . ? C50 C51 1.390(14) . ? C51 C52 1.398(14) . ? C51 C56 1.401(15) . ? C52 C53 1.400(14) . ? C53 C54 1.388(14) . ? C54 C55 1.377(15) . ? C54 C57 1.463(13) . ? C55 C56 1.389(15) . ? C57 C58 1.198(13) . ? C57 Ag3 2.669(9) 2_575 ? C58 Ag2 2.094(11) 2_575 ? C58 Ag1 2.190(11) 2_575 ? C58 Ag3 2.221(10) 2_575 ? B1 F13 1.341(12) . ? B1 F12' 1.343(15) . ? B1 F12 1.343(13) . ? B1 F11' 1.350(15) . ? B1 F14 1.359(12) . ? B1 F13' 1.372(15) . ? B1 F11 1.373(12) . ? B2 F21 1.355(10) . ? B2 F24 1.360(10) . ? B2 F23 1.378(11) . ? B2 F22 1.383(10) . ? B3 F33' 1.33(4) . ? B3 F31' 1.33(4) . ? B3 F32' 1.35(4) . ? B3 F32 1.355(14) . ? B3 F34' 1.36(4) . ? B3 F31 1.365(14) . ? B3 F34 1.371(16) . ? B3 F33 1.372(15) . ? O1 C59 1.415(15) . ? 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 C58 Ag1 N9 163.3(3) 2_575 . ? C58 Ag1 Ag2 45.1(3) 2_575 . ? N9 Ag1 Ag2 119.7(2) . . ? C58 Ag2 N5 161.8(4) 2_575 . ? C58 Ag2 Ag1 47.8(3) 2_575 . ? N5 Ag2 Ag1 141.5(2) . . ? C58 Ag2 Ag3 47.6(3) 2_575 . ? N5 Ag2 Ag3 133.6(2) . . ? Ag1 Ag2 Ag3 83.78(4) . . ? C58 Ag3 C49 151.5(4) 2_575 . ? C58 Ag3 O1 98.3(4) 2_575 . ? C49 Ag3 O1 93.6(3) . . ? C58 Ag3 C57 26.4(3) 2_575 2_575 ? C49 Ag3 C57 129.6(3) . 2_575 ? O1 Ag3 C57 88.3(3) . 2_575 ? C58 Ag3 Ag4 157.0(3) 2_575 . ? C49 Ag3 Ag4 45.5(2) . . ? O1 Ag3 Ag4 93.8(2) . . ? C57 Ag3 Ag4 174.7(2) 2_575 . ? C58 Ag3 Ag2 44.1(3) 2_575 . ? C49 Ag3 Ag2 137.2(2) . . ? O1 Ag3 Ag2 128.1(2) . . ? C57 Ag3 Ag2 68.4(2) 2_575 . ? Ag4 Ag3 Ag2 113.63(5) . . ? C49 Ag4 N13 176.7(3) . . ? C49 Ag4 Ag3 50.2(3) . . ? N13 Ag4 Ag3 131.4(2) . . ? C49 Ag4 Ag5 48.3(3) . . ? N13 Ag4 Ag5 131.9(2) . . ? Ag3 Ag4 Ag5 92.18(4) . . ? N1 Ag5 C49 175.3(3) . . ? N1 Ag5 C50 149.8(3) . . ? C49 Ag5 C50 28.4(3) . . ? N1 Ag5 Ag4 135.7(2) . . ? C49 Ag5 Ag4 44.3(2) . . ? C50 Ag5 Ag4 71.8(2) . . ? C1 N1 C5 118.9(9) . . ? C1 N1 Ag5 123.4(7) . . ? C5 N1 Ag5 116.4(6) . . ? N1 C1 C2 123.1(10) . . ? N1 C1 N16 116.6(9) . . ? C2 C1 N16 120.1(10) . . ? C1 C2 C3 117.9(10) . . ? C4 C3 C2 121.0(12) . . ? C3 C4 C5 117.2(12) . . ? N1 C5 N2 117.4(9) . . ? N1 C5 C4 121.2(10) . . ? N2 C5 C4 121.2(10) . . ? C5 N2 C7 121.1(9) . . ? C5 N2 C6 119.1(9) . . ? C7 N2 C6 115.8(9) . . ? C7 N3 C11 118.6(9) . . ? N3 C7 C8 123.5(10) . . ? N3 C7 N2 113.7(9) . . ? C8 C7 N2 122.8(9) . . ? C9 C8 C7 117.2(11) . . ? C8 C9 C10 121.3(11) . . ? C9 C10 C11 117.2(11) . . ? N3 C11 N4 116.2(10) . . ? N3 C11 C10 122.1(10) . . ? N4 C11 C10 121.6(10) . . ? C11 N4 C13 118.0(8) . . ? C11 N4 C12 116.6(9) . . ? C13 N4 C12 116.8(9) . . ? C17 N5 C13 118.5(9) . . ? C17 N5 Ag2 124.5(7) . . ? C13 N5 Ag2 116.2(6) . . ? C14 C13 N5 122.7(10) . . ? C14 C13 N4 124.9(10) . . ? N5 C13 N4 112.4(9) . . ? C13 C14 C15 117.0(11) . . ? C16 C15 C14 122.3(10) . . ? C17 C16 C15 115.8(10) . . ? N5 C17 C16 123.4(10) . . ? N5 C17 N6 117.1(8) . . ? C16 C17 N6 119.4(9) . . ? C19 N6 C17 120.3(8) . . ? C19 N6 C18 119.4(9) . . ? C17 N6 C18 120.2(8) . . ? C19 N7 C23 116.9(9) . . ? N7 C19 C20 123.9(9) . . ? N7 C19 N6 114.5(9) . . ? C20 C19 N6 121.6(10) . . ? C19 C20 C21 117.3(11) . . ? C22 C21 C20 120.0(11) . . ? C21 C22 C23 118.5(10) . . ? N7 C23 C22 123.4(11) . . ? N7 C23 N8 114.6(10) . . ? C22 C23 N8 121.7(10) . . ? C25 N8 C23 118.4(9) . . ? C25 N8 C24 121.0(10) . . ? C23 N8 C24 119.9(9) . . ? C29 N9 C25 118.0(9) . . ? C29 N9 Ag1 117.7(7) . . ? C25 N9 Ag1 123.2(7) . . ? N9 C25 C26 122.3(10) . . ? N9 C25 N8 118.5(11) . . ? C26 C25 N8 119.2(10) . . ? C27 C26 C25 116.5(11) . . ? C26 C27 C28 123.6(11) . . ? C27 C28 C29 113.6(11) . . ? N9 C29 C28 125.6(10) . . ? N9 C29 N10 113.9(10) . . ? C28 C29 N10 120.2(10) . . ? C31 N10 C29 120.9(9) . . ? C31 N10 C30 120.1(9) . . ? C29 N10 C30 117.2(9) . . ? C35 N11 C31 119.6(9) . . ? N11 C31 N10 116.3(9) . . ? N11 C31 C32 120.9(10) . . ? N10 C31 C32 122.7(10) . . ? C31 C32 C33 117.8(9) . . ? C34 C33 C32 120.9(10) . . ? C33 C34 C35 118.0(10) . . ? N11 C35 N12 115.0(9) . . ? N11 C35 C34 122.7(9) . . ? N12 C35 C34 122.2(10) . . ? C35 N12 C37 120.9(8) . . ? C35 N12 C36 119.9(9) . . ? C37 N12 C36 113.6(8) . . ? C37 N13 C41 121.0(8) . . ? C37 N13 Ag4 113.3(6) . . ? C41 N13 Ag4 124.4(7) . . ? N13 C37 C38 121.3(10) . . ? N13 C37 N12 114.9(8) . . ? C38 C37 N12 123.9(10) . . ? C39 C38 C37 118.2(11) . . ? C40 C39 C38 119.6(10) . . ? C39 C40 C41 120.3(10) . . ? N13 C41 C40 119.0(10) . . ? N13 C41 N14 119.1(9) . . ? C40 C41 N14 121.7(9) . . ? C41 N14 C43 121.5(8) . . ? C41 N14 C42 118.8(8) . . ? C43 N14 C42 119.6(8) . . ? C47 N15 C43 117.3(9) . . ? N15 C43 C44 123.5(9) . . ? N15 C43 N14 115.4(9) . . ? C44 C43 N14 121.1(10) . . ? C45 C44 C43 118.3(9) . . ? C46 C45 C44 118.7(10) . . ? C45 C46 C47 117.8(10) . . ? N15 C47 C46 124.2(10) . . ? N15 C47 N16 118.6(9) . . ? C46 C47 N16 117.2(10) . . ? C1 N16 C47 122.2(9) . . ? C1 N16 C48 118.0(9) . . ? C47 N16 C48 117.0(9) . . ? C50 C49 Ag4 163.0(8) . . ? C50 C49 Ag5 91.9(7) . . ? Ag4 C49 Ag5 87.4(3) . . ? C50 C49 Ag3 106.0(7) . . ? Ag4 C49 Ag3 84.3(3) . . ? Ag5 C49 Ag3 143.0(5) . . ? C49 C50 C51 174.9(11) . . ? C49 C50 Ag5 59.7(6) . . ? C51 C50 Ag5 124.5(7) . . ? C50 C51 C52 121.2(9) . . ? C50 C51 C56 120.1(9) . . ? C52 C51 C56 118.7(9) . . ? C51 C52 C53 120.8(9) . . ? C54 C53 C52 119.5(10) . . ? C55 C54 C53 120.0(10) . . ? C55 C54 C57 120.9(10) . . ? C53 C54 C57 119.1(9) . . ? C54 C55 C56 121.0(11) . . ? C55 C56 C51 119.9(10) . . ? C58 C57 C54 179.5(12) . . ? C58 C57 Ag3 55.4(6) . 2_575 ? C54 C57 Ag3 124.4(6) . 2_575 ? C57 C58 Ag2 152.3(9) . 2_575 ? C57 C58 Ag1 108.5(8) . 2_575 ? Ag2 C58 Ag1 87.2(4) 2_575 2_575 ? C57 C58 Ag3 98.2(7) . 2_575 ? Ag2 C58 Ag3 88.3(4) 2_575 2_575 ? Ag1 C58 Ag3 129.0(5) 2_575 2_575 ? F13 B1 F12' 138.0(16) . . ? F13 B1 F12 112.3(10) . . ? F12' B1 F12 37.4(17) . . ? F13 B1 F11' 69(2) . . ? F12' B1 F11' 110.6(12) . . ? F12 B1 F11' 135.6(16) . . ? F13 B1 F14 108.7(10) . . ? F12' B1 F14 110.1(12) . . ? F12 B1 F14 110.2(10) . . ? F11' B1 F14 110.9(12) . . ? F13 B1 F13' 42(2) . . ? F12' B1 F13' 109.5(12) . . ? F12 B1 F13' 74.2(19) . . ? F11' B1 F13' 108.5(12) . . ? F14 B1 F13' 107.2(11) . . ? F13 B1 F11 109.8(10) . . ? F12' B1 F11 73.0(19) . . ? F12 B1 F11 108.3(10) . . ? F11' B1 F11 42(2) . . ? F14 B1 F11 107.3(10) . . ? F13' B1 F11 141.7(18) . . ? F21 B2 F24 110.3(8) . . ? F21 B2 F23 110.8(8) . . ? F24 B2 F23 109.5(9) . . ? F21 B2 F22 107.2(9) . . ? F24 B2 F22 110.3(9) . . ? F23 B2 F22 108.6(7) . . ? F33' B3 F31' 111.0(13) . . ? F33' B3 F32' 109.8(13) . . ? F31' B3 F32' 109.8(13) . . ? F33' B3 F32 57.6(18) . . ? F31' B3 F32 166(3) . . ? F32' B3 F32 83(3) . . ? F33' B3 F34' 108.9(12) . . ? F31' B3 F34' 109.2(13) . . ? F32' B3 F34' 108.1(13) . . ? F32 B3 F34' 70(2) . . ? F33' B3 F31 83(2) . . ? F31' B3 F31 56(3) . . ? F32' B3 F31 165(3) . . ? F32 B3 F31 111.6(11) . . ? F34' B3 F31 74(2) . . ? F33' B3 F34 165(2) . . ? F31' B3 F34 84(2) . . ? F32' B3 F34 59(2) . . ? F32 B3 F34 108.7(12) . . ? F34' B3 F34 69(2) . . ? F31 B3 F34 110.1(12) . . ? F33' B3 F33 72.2(18) . . ? F31' B3 F33 72(3) . . ? F32' B3 F33 69(3) . . ? F32 B3 F33 108.7(11) . . ? F34' B3 F33 177(3) . . ? F31 B3 F33 108.6(11) . . ? F34 B3 F33 109.2(12) . . ? C59 O1 Ag3 133.9(8) . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.30 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.786 _refine_diff_density_min -0.816 _refine_diff_density_rms 0.150