data_80108b _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C80 H92 Ag5 F30 N24 O19 S12 Sb5' _chemical_formula_weight 3796.60 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' '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' 'Sb' 'Sb' -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M Fdd2 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' 'x+1/4, -y+1/4, z+1/4' '-x+1/4, y+1/4, z+1/4' 'x, y+1/2, z+1/2' '-x, -y+1/2, z+1/2' 'x+1/4, -y+3/4, z+3/4' '-x+1/4, y+3/4, z+3/4' 'x+1/2, y, z+1/2' '-x+1/2, -y, z+1/2' 'x+3/4, -y+1/4, z+3/4' '-x+3/4, y+1/4, z+3/4' 'x+1/2, y+1/2, z' '-x+1/2, -y+1/2, z' 'x+3/4, -y+3/4, z+1/4' '-x+3/4, y+3/4, z+1/4' _cell_length_a 23.442(3) _cell_length_b 49.277(8) _cell_length_c 22.284(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 25741(6) _cell_formula_units_Z 8 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 12666 _cell_measurement_theta_min 2.348 _cell_measurement_theta_max 26.048 _exptl_crystal_description bar _exptl_crystal_colour colourless _exptl_crystal_size_max 0.48 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.11 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.959 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 14752 _exptl_absorpt_coefficient_mu 2.079 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.4352 _exptl_absorpt_correction_T_max 0.8036 _exptl_absorpt_process_details sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 32029 _diffrn_reflns_av_R_equivalents 0.0393 _diffrn_reflns_av_sigmaI/netI 0.0460 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_h_max 27 _diffrn_reflns_limit_k_min -31 _diffrn_reflns_limit_k_max 58 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 1.77 _diffrn_reflns_theta_max 25.04 _reflns_number_total 11022 _reflns_number_gt 10079 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0757P)^2^+40.3797P] 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 -0.04(2) _refine_ls_number_reflns 11022 _refine_ls_number_parameters 740 _refine_ls_number_restraints 19 _refine_ls_R_factor_all 0.0503 _refine_ls_R_factor_gt 0.0452 _refine_ls_wR_factor_ref 0.1150 _refine_ls_wR_factor_gt 0.1114 _refine_ls_goodness_of_fit_ref 1.029 _refine_ls_restrained_S_all 1.029 _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 Ag1 Ag 0.7500 0.7500 0.59625(3) 0.02942(17) Uani 1 2 d S . . C39 C 0.7289(7) 0.7616(3) 0.3152(9) 0.147(7) Uiso 1 1 d D . . H39A H 0.6997 0.7592 0.2848 0.176 Uiso 1 1 calc R . . H39B H 0.7476 0.7789 0.3094 0.176 Uiso 1 1 calc R . . C40 C 0.7038(7) 0.7590(5) 0.3794(8) 0.169(9) Uiso 1 1 d D . . H40A H 0.6907 0.7763 0.3947 0.203 Uiso 1 1 calc R . . H40B H 0.6728 0.7460 0.3809 0.203 Uiso 1 1 calc R . . O9 O 0.7500 0.7500 0.4095(9) 0.143(7) Uiso 1 2 d SD . . F6 F 0.7430(4) 0.78776(16) 0.9299(6) 0.128(4) Uani 1 1 d . . . F15 F 0.6866(11) 0.8793(2) 0.8770(7) 0.270(12) Uani 1 1 d . . . F5 F 0.8820(3) 0.84315(19) 0.3080(4) 0.115(3) Uani 1 1 d . . . C14 C 0.5658(3) 0.84930(15) 0.4800(4) 0.0359(17) Uani 1 1 d . . . Ag3 Ag 0.88470(2) 0.710464(10) 0.60302(2) 0.02874(12) Uani 1 1 d . . . N7 N 0.5737(2) 0.69504(14) 0.9739(3) 0.0364(15) Uani 1 1 d . . . N8 N 0.5610(2) 0.70838(13) 0.9207(3) 0.0341(14) Uani 1 1 d . . . Ag2 Ag 0.51051(2) 0.700696(12) 1.05147(2) 0.03484(13) Uani 1 1 d . . . C1 C 1.0113(4) 0.77156(19) 0.4675(5) 0.059(3) Uani 1 1 d . . . H1A H 0.9975 0.7845 0.4387 0.088 Uiso 1 1 calc R . . H1B H 1.0493 0.7661 0.4569 0.088 Uiso 1 1 calc R . . H1C H 1.0117 0.7797 0.5067 0.088 Uiso 1 1 calc R . . C2 C 0.9038(3) 0.75681(14) 0.4965(3) 0.0304(15) Uani 1 1 d . . . C3 C 0.8319(3) 0.78358(14) 0.4999(3) 0.0276(15) Uani 1 1 d . . . C4 C 0.7987(3) 0.80791(14) 0.4838(3) 0.0289(15) Uani 1 1 d . . . C5 C 0.7406(3) 0.80912(14) 0.4903(3) 0.0294(15) Uani 1 1 d . . . H5 H 0.7209 0.7943 0.5056 0.035 Uiso 1 1 calc R . . C6 C 0.7109(3) 0.83234(14) 0.4743(3) 0.0301(15) Uani 1 1 d . . . C7 C 0.7406(3) 0.85452(15) 0.4516(3) 0.0316(15) Uani 1 1 d . . . H7 H 0.7213 0.8704 0.4417 0.038 Uiso 1 1 calc R . . C8 C 0.8004(3) 0.85286(15) 0.4438(4) 0.0346(16) Uani 1 1 d . . . C9 C 0.8288(3) 0.82968(13) 0.4598(3) 0.0319(15) Uani 1 1 d . . . H9 H 0.8681 0.8285 0.4547 0.038 Uiso 1 1 calc R . . C10 C 0.8325(3) 0.87557(15) 0.4190(3) 0.0317(16) Uani 1 1 d . . . C11 C 0.9073(3) 0.89707(15) 0.3935(4) 0.0381(17) Uani 1 1 d . . . C12 C 1.0115(4) 0.8747(2) 0.4099(7) 0.083(4) Uani 1 1 d . . . H12A H 1.0340 0.8785 0.4449 0.124 Uiso 1 1 calc R . . H12B H 1.0358 0.8676 0.3788 0.124 Uiso 1 1 calc R . . H12C H 0.9828 0.8615 0.4196 0.124 Uiso 1 1 calc R . . C13 C 0.6503(3) 0.83327(14) 0.4818(3) 0.0310(15) Uani 1 1 d . . . C15 C 0.5438(5) 0.8980(2) 0.4292(6) 0.078(4) Uani 1 1 d . . . H15A H 0.5697 0.9069 0.4563 0.118 Uiso 1 1 calc R . . H15B H 0.5157 0.9108 0.4158 0.118 Uiso 1 1 calc R . . H15C H 0.5646 0.8913 0.3953 0.118 Uiso 1 1 calc R . . C16 C 0.7147(4) 0.6503(2) 0.9723(5) 0.062(3) Uani 1 1 d . . . H16A H 0.7342 0.6661 0.9575 0.093 Uiso 1 1 calc R . . H16B H 0.7024 0.6394 0.9391 0.093 Uiso 1 1 calc R . . H16C H 0.7402 0.6399 0.9972 0.093 Uiso 1 1 calc R . . C17 C 0.6193(3) 0.68090(17) 0.9641(4) 0.0378(17) Uani 1 1 d . . . C18 C 0.5998(3) 0.70140(15) 0.8829(3) 0.0301(15) Uani 1 1 d . . . C19 C 0.6107(3) 0.71059(14) 0.8224(3) 0.0306(15) Uani 1 1 d . . . C20 C 0.5689(3) 0.72341(14) 0.7880(3) 0.0281(14) Uani 1 1 d . . . H20 H 0.5324 0.7259 0.8032 0.034 Uiso 1 1 calc R . . C21 C 0.5825(3) 0.73234(14) 0.7306(3) 0.0295(15) Uani 1 1 d . . . C22 C 0.6374(3) 0.72821(14) 0.7071(3) 0.0307(15) Uani 1 1 d . . . H22 H 0.6458 0.7335 0.6680 0.037 Uiso 1 1 calc R . . C23 C 0.6791(3) 0.71610(14) 0.7429(4) 0.0325(16) Uani 1 1 d . . . C24 C 0.6653(3) 0.70667(16) 0.8005(4) 0.0390(17) Uani 1 1 d . . . H24 H 0.6925 0.6979 0.8238 0.047 Uiso 1 1 calc R . . C25 C 0.7382(3) 0.71268(16) 0.7247(4) 0.0373(17) Uani 1 1 d . . . C26 C 0.8250(3) 0.70168(16) 0.7351(4) 0.0411(19) Uani 1 1 d . . . C27 C 0.8654(5) 0.6835(3) 0.8423(5) 0.082(4) Uani 1 1 d . . . H27A H 0.8284 0.6752 0.8428 0.123 Uiso 1 1 calc R . . H27B H 0.8637 0.7006 0.8629 0.123 Uiso 1 1 calc R . . H27C H 0.8923 0.6719 0.8621 0.123 Uiso 1 1 calc R . . C28 C 0.5390(3) 0.74491(14) 0.6923(3) 0.0276(14) Uani 1 1 d . . . C29 C 0.4561(3) 0.75070(16) 0.6579(4) 0.0385(18) Uani 1 1 d . . . C30 C 0.3626(4) 0.7690(3) 0.5974(5) 0.071(3) Uani 1 1 d . . . H30A H 0.3874 0.7673 0.5633 0.107 Uiso 1 1 calc R . . H30B H 0.3653 0.7871 0.6132 0.107 Uiso 1 1 calc R . . H30C H 0.3240 0.7655 0.5853 0.107 Uiso 1 1 calc R . . F1 F 0.9005(4) 0.80831(19) 0.2189(3) 0.103(3) Uani 1 1 d . . . F2 F 0.9863(3) 0.83375(19) 0.2714(4) 0.112(3) Uani 1 1 d . . . F3 F 0.9714(5) 0.78255(18) 0.2849(4) 0.129(3) Uani 1 1 d . . . F4 F 0.9523(3) 0.81548(15) 0.3755(3) 0.090(2) Uani 1 1 d . . . F7 F 0.7500 0.7500 1.0176(5) 0.206(11) Uani 1 2 d S . . F8 F 0.7500 0.7500 0.8515(6) 0.126(4) Uani 1 2 d S . . F9 F 0.6700(3) 0.74623(18) 0.9381(4) 0.109(3) Uani 1 1 d . . . F10 F 0.7662(4) 0.9110(4) 0.8757(5) 0.224(9) Uani 1 1 d . . . F11 F 0.6818(4) 0.9202(2) 0.9456(4) 0.125(3) Uani 1 1 d . . . F12 F 0.6968(8) 0.95146(17) 0.8526(5) 0.209(8) Uani 1 1 d . . . F13 F 0.7033(3) 0.91188(18) 0.7805(3) 0.099(2) Uani 1 1 d . . . F14 F 0.8670(5) 0.7911(3) 0.3237(5) 0.174(6) Uani 1 1 d . . . F16 F 0.6169(5) 0.9235(4) 0.8557(5) 0.218(9) Uani 1 1 d . . . N1 N 0.8686(2) 0.74670(11) 0.5358(3) 0.0290(13) Uani 1 1 d . . . N2 N 0.8219(2) 0.76457(11) 0.5371(3) 0.0285(13) Uani 1 1 d . . . N3 N 0.6175(2) 0.81479(12) 0.5032(3) 0.0363(15) Uani 1 1 d . . . N4 N 0.5609(2) 0.82538(13) 0.5027(3) 0.0338(14) Uani 1 1 d . . . N5 N 0.8142(2) 0.89763(12) 0.3954(3) 0.0338(14) Uani 1 1 d . . . N6 N 0.8632(3) 0.91285(14) 0.3781(3) 0.0427(16) Uani 1 1 d . . . N9 N 0.7632(3) 0.71963(13) 0.6750(3) 0.0379(15) Uani 1 1 d . . . N10 N 0.8208(3) 0.71225(13) 0.6827(3) 0.0382(15) Uani 1 1 d . . . N11 N 0.4893(2) 0.76717(14) 0.6279(3) 0.0343(14) Uani 1 1 d . . . N12 N 0.5440(2) 0.76293(12) 0.6516(3) 0.0295(13) Uani 1 1 d . . . O1 O 0.88349(19) 0.78016(10) 0.4717(2) 0.0323(11) Uani 1 1 d . . . O2 O 0.6201(2) 0.85599(10) 0.4662(3) 0.0407(13) Uani 1 1 d . . . O3 O 0.8906(2) 0.87389(10) 0.4203(2) 0.0359(11) Uani 1 1 d . . . O4 O 0.6387(2) 0.68399(11) 0.9084(2) 0.0354(12) Uani 1 1 d . . . O5 O 0.7753(2) 0.70067(12) 0.7638(2) 0.0426(13) Uani 1 1 d . . . O6 O 0.4844(2) 0.73681(11) 0.7005(2) 0.0369(12) Uani 1 1 d . . . O7 O 0.5470(2) 0.66514(13) 1.1192(3) 0.0565(16) Uani 1 1 d . . . H7A H 0.5154 0.6584 1.1308 0.085 Uiso 1 1 d R . . H7B H 0.5615 0.6767 1.1432 0.085 Uiso 1 1 d R . . O8 O 0.6867(5) 0.8498(3) 0.0890(6) 0.129(4) Uiso 1 1 d D . . S1 S 0.96459(8) 0.74194(4) 0.46820(9) 0.0366(4) Uani 1 1 d . . . S2 S 0.50990(10) 0.87089(6) 0.4662(2) 0.0909(12) Uani 1 1 d . . . S3 S 0.97827(8) 0.90498(5) 0.38440(11) 0.0477(5) Uani 1 1 d . . . S4 S 0.65403(10) 0.66053(5) 1.01552(10) 0.0523(6) Uani 1 1 d . . . S5 S 0.38349(9) 0.74491(6) 0.65447(12) 0.0614(7) Uani 1 1 d . . . S6 S 0.88768(9) 0.68895(6) 0.76522(11) 0.0585(6) Uani 1 1 d . . . Sb1 Sb 0.92635(3) 0.811756(15) 0.29749(3) 0.05705(17) Uani 1 1 d . . . Sb2 Sb 0.7500 0.7500 0.93671(5) 0.0661(3) Uani 1 2 d S . . Sb3 Sb 0.69115(3) 0.914832(13) 0.86210(3) 0.05390(17) Uani 1 1 d . . . C38 C 0.6610(6) 0.8744(3) 0.0918(7) 0.103(4) Uiso 1 1 d D . . H38A H 0.6876 0.8892 0.0852 0.124 Uiso 1 1 calc R . . H38B H 0.6407 0.8771 0.1292 0.124 Uiso 1 1 calc R . . C35 C 0.6582(12) 0.8280(4) 0.0651(12) 0.234(14) Uiso 1 1 d D . . H35A H 0.6350 0.8190 0.0952 0.280 Uiso 1 1 calc R . . H35B H 0.6845 0.8150 0.0478 0.280 Uiso 1 1 calc R . . C36 C 0.6207(8) 0.8411(3) 0.0163(9) 0.121(5) Uiso 1 1 d D . . H36A H 0.6377 0.8395 -0.0232 0.145 Uiso 1 1 calc R . . H36B H 0.5826 0.8334 0.0157 0.145 Uiso 1 1 calc R . . C37 C 0.6205(6) 0.8703(3) 0.0386(6) 0.162(8) Uiso 1 1 d D . . H37A H 0.5822 0.8753 0.0510 0.194 Uiso 1 1 d R . . H37B H 0.6311 0.8828 0.0057 0.194 Uiso 1 1 d R . . C31 C 0.9155(6) 0.6946(3) 0.3323(6) 0.076(7) Uiso 0.446(4) 1 d PRD A 1 H31A H 0.9497 0.6920 0.3562 0.091 Uiso 0.446(4) 1 calc PR A 1 H31B H 0.9078 0.7139 0.3290 0.091 Uiso 0.446(4) 1 calc PR A 1 C34 C 0.8491(8) 0.6620(3) 0.3196(6) 0.121(6) Uiso 0.446(4) 1 d PD A 1 H34A H 0.8079 0.6611 0.3237 0.146 Uiso 0.446(4) 1 calc PR A 1 H34B H 0.8648 0.6444 0.3298 0.146 Uiso 0.446(4) 1 calc PR A 1 C32 C 0.9224(6) 0.6818(4) 0.2701(7) 0.140(7) Uiso 0.446(4) 1 d PD A 1 H32A H 0.9326 0.6954 0.2406 0.168 Uiso 0.446(4) 1 calc PR A 1 H32B H 0.9519 0.6679 0.2707 0.168 Uiso 0.446(4) 1 calc PR A 1 C33 C 0.8647(6) 0.6693(3) 0.2553(6) 0.104(4) Uiso 0.446(4) 1 d PD A 1 H33A H 0.8679 0.6535 0.2296 0.124 Uiso 0.446(4) 1 calc PR A 1 H33B H 0.8385 0.6823 0.2378 0.124 Uiso 0.446(4) 1 calc PR A 1 O10 O 0.8705(8) 0.6814(4) 0.3571(8) 0.093(6) Uiso 0.446(4) 1 d PD A 1 C31' C 0.9467(12) 0.6746(6) 0.3311(10) 0.119(10) Uiso 0.554(4) 1 d PD A 2 H31C H 0.9843 0.6665 0.3296 0.143 Uiso 0.554(4) 1 calc PR A 2 H31D H 0.9453 0.6894 0.3599 0.143 Uiso 0.554(4) 1 calc PR A 2 O10' O 0.9037(9) 0.6564(6) 0.3371(15) 0.184(11) Uiso 0.554(4) 1 d PD A 2 C34' C 0.8491(8) 0.6620(3) 0.3196(6) 0.121(6) Uiso 0.554(4) 1 d PD A 2 H34C H 0.8325 0.6771 0.3414 0.146 Uiso 0.554(4) 1 calc PR A 2 H34D H 0.8242 0.6463 0.3220 0.146 Uiso 0.554(4) 1 calc PR A 2 C32' C 0.9224(6) 0.6818(4) 0.2701(7) 0.140(7) Uiso 0.554(4) 1 d PD A 2 H32C H 0.9495 0.6761 0.2397 0.168 Uiso 0.554(4) 1 calc PR A 2 H32D H 0.9190 0.7014 0.2676 0.168 Uiso 0.554(4) 1 calc PR A 2 C33' C 0.8647(6) 0.6693(3) 0.2553(6) 0.104(4) Uiso 0.554(4) 1 d PD A 2 H33C H 0.8679 0.6535 0.2296 0.124 Uiso 0.554(4) 1 calc PR A 2 H33D H 0.8385 0.6823 0.2378 0.124 Uiso 0.554(4) 1 calc PR A 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 0.0194(3) 0.0422(4) 0.0266(4) 0.000 0.000 0.0017(3) F6 0.102(6) 0.069(5) 0.214(12) -0.023(6) 0.004(6) -0.011(4) F15 0.58(4) 0.065(6) 0.165(13) 0.010(6) -0.106(17) -0.005(11) F5 0.104(5) 0.153(7) 0.086(5) -0.044(5) -0.027(4) 0.071(5) C14 0.026(4) 0.030(4) 0.051(5) 0.003(3) -0.002(3) 0.005(3) Ag3 0.0301(2) 0.0251(2) 0.0311(3) 0.0012(2) 0.0059(2) -0.0012(2) N7 0.023(3) 0.056(4) 0.030(3) 0.009(3) 0.005(2) 0.011(3) N8 0.024(3) 0.048(4) 0.030(3) 0.009(3) 0.005(2) 0.011(3) Ag2 0.0310(3) 0.0443(3) 0.0292(3) -0.0027(2) 0.0059(2) 0.0011(2) C1 0.037(5) 0.047(5) 0.093(8) 0.008(5) 0.027(5) -0.006(4) C2 0.027(3) 0.029(3) 0.035(4) 0.004(3) 0.001(3) 0.004(3) C3 0.021(3) 0.029(4) 0.033(4) 0.006(3) 0.004(3) 0.002(3) C4 0.024(3) 0.029(3) 0.034(4) 0.001(3) 0.000(3) 0.007(3) C5 0.036(4) 0.024(3) 0.028(4) 0.003(3) 0.004(3) -0.007(3) C6 0.032(4) 0.031(4) 0.027(4) -0.004(3) -0.002(3) 0.002(3) C7 0.027(4) 0.030(4) 0.038(4) 0.010(3) 0.001(3) 0.001(3) C8 0.032(4) 0.031(4) 0.041(4) 0.004(3) -0.009(3) -0.007(3) C9 0.030(4) 0.026(3) 0.040(4) 0.005(3) -0.001(3) -0.001(3) C10 0.024(3) 0.038(4) 0.033(4) 0.003(3) 0.001(3) -0.002(3) C11 0.042(4) 0.030(4) 0.042(4) 0.004(3) 0.002(3) -0.006(3) C12 0.030(5) 0.069(7) 0.149(12) 0.032(8) -0.010(6) 0.005(5) C13 0.036(4) 0.023(3) 0.034(4) 0.005(3) -0.001(3) 0.003(3) C15 0.080(7) 0.046(5) 0.110(10) 0.033(6) -0.026(7) 0.003(5) C16 0.048(5) 0.072(6) 0.065(6) 0.015(5) 0.000(4) 0.037(5) C17 0.027(4) 0.051(5) 0.035(4) 0.001(4) 0.003(3) 0.003(3) C18 0.020(3) 0.041(4) 0.029(4) 0.005(3) 0.001(3) 0.009(3) C19 0.027(4) 0.036(4) 0.029(4) 0.003(3) 0.005(3) 0.006(3) C20 0.022(3) 0.032(3) 0.031(4) 0.000(3) 0.001(3) 0.006(3) C21 0.037(4) 0.030(4) 0.022(3) 0.002(3) -0.003(3) -0.002(3) C22 0.031(4) 0.035(4) 0.026(4) 0.004(3) 0.009(3) 0.007(3) C23 0.033(4) 0.026(3) 0.038(4) 0.005(3) 0.009(3) 0.010(3) C24 0.028(4) 0.050(4) 0.040(4) 0.010(4) 0.004(3) 0.007(3) C25 0.033(4) 0.042(4) 0.037(4) 0.010(3) -0.001(3) 0.012(3) C26 0.033(4) 0.042(4) 0.048(5) 0.006(4) 0.020(3) 0.000(3) C27 0.060(6) 0.137(11) 0.049(6) 0.021(7) -0.006(5) 0.039(7) C28 0.021(3) 0.035(4) 0.026(4) 0.000(3) 0.002(3) -0.002(3) C29 0.035(4) 0.041(4) 0.039(4) 0.001(4) -0.002(3) 0.002(3) C30 0.038(5) 0.111(9) 0.065(6) 0.040(6) -0.017(4) -0.012(5) F1 0.112(6) 0.142(7) 0.055(4) -0.021(4) -0.015(4) 0.015(5) F2 0.088(5) 0.126(7) 0.123(7) 0.025(5) 0.041(5) -0.014(5) F3 0.169(8) 0.105(6) 0.112(7) -0.033(5) -0.019(6) 0.061(6) F4 0.115(6) 0.096(5) 0.060(4) 0.006(3) -0.012(4) -0.009(4) F7 0.103(9) 0.46(3) 0.052(6) 0.000 0.000 -0.133(14) F8 0.154(11) 0.127(10) 0.097(9) 0.000 0.000 -0.044(9) F9 0.068(4) 0.125(7) 0.135(7) -0.023(5) -0.013(4) -0.038(4) F10 0.081(6) 0.49(3) 0.103(8) -0.008(12) -0.013(6) 0.061(10) F11 0.174(8) 0.131(7) 0.069(5) 0.022(5) 0.014(5) 0.070(7) F12 0.46(2) 0.066(5) 0.097(7) -0.003(5) 0.100(11) -0.029(9) F13 0.110(5) 0.123(6) 0.065(4) -0.027(4) -0.009(4) 0.030(5) F14 0.139(8) 0.263(14) 0.119(8) -0.023(9) 0.045(6) -0.123(9) F16 0.117(8) 0.42(3) 0.112(8) -0.027(12) -0.034(6) 0.125(12) N1 0.024(3) 0.026(3) 0.037(3) 0.005(2) 0.006(2) 0.001(2) N2 0.022(3) 0.029(3) 0.035(3) -0.007(3) 0.008(2) 0.000(2) N3 0.028(3) 0.027(3) 0.054(4) 0.007(3) 0.004(3) 0.006(2) N4 0.027(3) 0.040(3) 0.035(3) 0.010(3) 0.002(2) 0.005(3) N5 0.026(3) 0.026(3) 0.049(4) 0.006(3) -0.007(3) -0.004(2) N6 0.033(3) 0.044(4) 0.050(4) 0.018(3) -0.008(3) -0.007(3) N9 0.034(3) 0.030(3) 0.049(4) 0.021(3) 0.019(3) 0.007(3) N10 0.031(3) 0.033(3) 0.051(4) 0.013(3) 0.007(3) 0.007(3) N11 0.027(3) 0.049(4) 0.027(3) 0.006(3) 0.000(2) 0.001(3) N12 0.024(3) 0.038(3) 0.026(3) 0.000(3) -0.005(2) -0.003(2) O1 0.026(2) 0.028(2) 0.043(3) 0.012(2) 0.014(2) 0.008(2) O2 0.032(3) 0.027(3) 0.063(4) 0.016(3) 0.004(2) 0.000(2) O3 0.038(3) 0.029(3) 0.041(3) 0.005(2) -0.002(2) -0.002(2) O4 0.027(2) 0.049(3) 0.031(3) 0.008(2) 0.005(2) 0.012(2) O5 0.038(3) 0.056(3) 0.035(3) 0.014(3) 0.004(2) 0.012(3) O6 0.031(3) 0.046(3) 0.034(3) 0.010(2) 0.001(2) 0.002(2) O7 0.042(3) 0.062(4) 0.066(4) 0.019(3) 0.005(3) -0.010(3) S1 0.0285(9) 0.0404(10) 0.0409(10) 0.0096(8) 0.0110(8) 0.0102(8) S2 0.0311(11) 0.0663(17) 0.175(4) 0.057(2) 0.0052(16) 0.0164(11) S3 0.0320(10) 0.0458(11) 0.0653(14) 0.0182(10) 0.0011(9) -0.0044(9) S4 0.0503(12) 0.0698(15) 0.0369(11) 0.0168(11) 0.0042(9) 0.0231(11) S5 0.0328(11) 0.0840(18) 0.0675(16) 0.0258(14) -0.0112(10) -0.0151(11) S6 0.0349(11) 0.0888(18) 0.0518(13) 0.0201(13) 0.0017(10) 0.0188(11) Sb1 0.0532(3) 0.0743(4) 0.0436(3) -0.0065(3) 0.0091(3) -0.0027(3) Sb2 0.0574(6) 0.0648(6) 0.0761(7) 0.000 0.000 -0.0240(5) Sb3 0.0559(3) 0.0491(3) 0.0566(4) 0.0029(3) -0.0060(3) 0.0134(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 N2 2.257(5) 14_665 ? Ag1 N2 2.257(5) . ? Ag1 N9 2.328(6) 14_665 ? Ag1 N9 2.328(6) . ? C39 C39 1.511(10) 14_665 ? C39 C40 1.552(10) . ? C39 H39A 0.9700 . ? C39 H39B 0.9700 . ? C40 O9 1.347(10) . ? C40 H40A 0.9700 . ? C40 H40B 0.9700 . ? O9 C40 1.347(10) 14_665 ? F6 Sb2 1.874(8) . ? F15 Sb3 1.787(10) . ? F5 Sb1 1.878(7) . ? C14 N4 1.288(10) . ? C14 O2 1.350(9) . ? C14 S2 1.716(7) . ? Ag3 N10 2.325(7) . ? Ag3 N1 2.362(6) . ? Ag3 N12 2.384(6) 14_665 ? Ag3 N6 2.413(7) 16_645 ? Ag3 N3 2.548(6) 14_665 ? Ag3 Ag2 3.2013(8) 9_554 ? N7 C17 1.293(9) . ? N7 N8 1.388(9) . ? N7 Ag2 2.294(6) . ? N8 C18 1.286(9) . ? Ag2 N11 2.325(6) 6_665 ? Ag2 N4 2.374(6) 6_665 ? Ag2 O7 2.466(6) . ? Ag2 S1 2.9549(19) 9_455 ? Ag2 Ag3 3.2013(8) 9_455 ? C1 S1 1.825(9) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 N1 1.300(9) . ? C2 O1 1.362(8) . ? C2 S1 1.723(7) . ? C3 N2 1.273(9) . ? C3 O1 1.372(8) . ? C3 C4 1.474(9) . ? C4 C5 1.371(10) . ? C4 C9 1.391(10) . ? C5 C6 1.386(10) . ? C5 H5 0.9300 . ? C6 C7 1.390(10) . ? C6 C13 1.432(10) . ? C7 C8 1.414(10) . ? C7 H7 0.9300 . ? C8 C9 1.370(10) . ? C8 C10 1.458(10) . ? C9 H9 0.9300 . ? C10 N5 1.282(9) . ? C10 O3 1.366(9) . ? C11 N6 1.339(10) . ? C11 O3 1.347(9) . ? C11 S3 1.720(8) . ? C12 S3 1.777(10) . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? C13 N3 1.285(9) . ? C13 O2 1.369(8) . ? C15 S2 1.762(11) . ? C15 H15A 0.9600 . ? C15 H15B 0.9600 . ? C15 H15C 0.9600 . ? C16 S4 1.790(9) . ? C16 H16A 0.9600 . ? C16 H16B 0.9600 . ? C16 H16C 0.9600 . ? C17 O4 1.331(9) . ? C17 S4 1.727(8) . ? C18 O4 1.374(8) . ? C18 C19 1.445(10) . ? C19 C24 1.383(10) . ? C19 C20 1.395(10) . ? C20 C21 1.388(10) . ? C20 H20 0.9300 . ? C21 C22 1.404(10) . ? C21 C28 1.466(10) . ? C22 C23 1.397(10) . ? C22 H22 0.9300 . ? C23 C24 1.403(11) . ? C23 C25 1.453(10) . ? C24 H24 0.9300 . ? C25 N9 1.299(10) . ? C25 O5 1.367(9) . ? C26 N10 1.283(11) . ? C26 O5 1.329(9) . ? C26 S6 1.732(8) . ? C27 S6 1.816(11) . ? C27 H27A 0.9600 . ? C27 H27B 0.9600 . ? C27 H27C 0.9600 . ? C28 N12 1.274(9) . ? C28 O6 1.353(8) . ? C29 N11 1.309(10) . ? C29 O6 1.344(9) . ? C29 S5 1.728(8) . ? C30 S5 1.809(10) . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? F1 Sb1 1.862(7) . ? F2 Sb1 1.868(7) . ? F3 Sb1 1.807(8) . ? F4 Sb1 1.850(7) . ? F7 Sb2 1.803(12) . ? F8 Sb2 1.899(14) . ? F9 Sb2 1.884(7) . ? F10 Sb3 1.795(9) . ? F11 Sb3 1.892(8) . ? F12 Sb3 1.822(8) . ? F13 Sb3 1.846(7) . ? F14 Sb1 1.820(8) . ? F16 Sb3 1.797(9) . ? N1 N2 1.406(7) . ? N3 N4 1.426(8) . ? N3 Ag3 2.548(6) 14_665 ? N4 Ag2 2.374(6) 6_664 ? N5 N6 1.424(8) . ? N6 Ag3 2.413(7) 12_654 ? N9 N10 1.409(8) . ? N11 N12 1.402(8) . ? N11 Ag2 2.325(6) 6_664 ? N12 Ag3 2.384(6) 14_665 ? O7 H7A 0.8508 . ? O7 H7B 0.8515 . ? O8 C38 1.355(9) . ? O8 C35 1.374(10) . ? S1 Ag2 2.9549(19) 9_554 ? Sb2 F6 1.874(8) 14_665 ? Sb2 F9 1.884(7) 14_665 ? C38 C37 1.531(9) . ? C38 H38A 0.9700 . ? C38 H38B 0.9700 . ? C35 C36 1.539(10) . ? C35 H35A 0.9700 . ? C35 H35B 0.9700 . ? C36 C37 1.523(9) . ? C36 H36A 0.9700 . ? C36 H36B 0.9700 . ? C37 H37A 0.9706 . ? C37 H37B 0.9876 . ? C31 O10 1.358(10) . ? C31 C32 1.533(10) . ? C31 H31A 0.9700 . ? C31 H31B 0.9700 . ? C34 O10 1.364(10) . ? C34 C33 1.522(7) . ? C34 H34A 0.9700 . ? C34 H34B 0.9700 . ? C32 C33 1.521(7) . ? C32 H32A 0.9700 . ? C32 H32B 0.9700 . ? C33 H33A 0.9700 . ? C33 H33B 0.9700 . ? C31' O10' 1.355(10) . ? C31' H31C 0.9700 . ? C31' H31D 0.9700 . ? 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 N2 Ag1 N2 108.5(3) 14_665 . ? N2 Ag1 N9 123.1(2) 14_665 14_665 ? N2 Ag1 N9 109.6(2) . 14_665 ? N2 Ag1 N9 109.6(2) 14_665 . ? N2 Ag1 N9 123.1(2) . . ? N9 Ag1 N9 82.1(3) 14_665 . ? C39 C39 C40 100.7(10) 14_665 . ? C39 C39 H39A 111.6 14_665 . ? C40 C39 H39A 111.6 . . ? C39 C39 H39B 111.6 14_665 . ? C40 C39 H39B 111.6 . . ? H39A C39 H39B 109.4 . . ? O9 C40 C39 100.5(17) . . ? O9 C40 H40A 111.7 . . ? C39 C40 H40A 111.7 . . ? O9 C40 H40B 111.7 . . ? C39 C40 H40B 111.7 . . ? H40A C40 H40B 109.4 . . ? C40 O9 C40 120(2) 14_665 . ? N4 C14 O2 113.4(6) . . ? N4 C14 S2 124.7(6) . . ? O2 C14 S2 121.9(6) . . ? N10 Ag3 N1 110.7(2) . . ? N10 Ag3 N12 94.8(2) . 14_665 ? N1 Ag3 N12 89.1(2) . 14_665 ? N10 Ag3 N6 82.7(2) . 16_645 ? N1 Ag3 N6 152.4(2) . 16_645 ? N12 Ag3 N6 114.5(2) 14_665 16_645 ? N10 Ag3 N3 132.2(2) . 14_665 ? N1 Ag3 N3 79.2(2) . 14_665 ? N12 Ag3 N3 132.76(19) 14_665 14_665 ? N6 Ag3 N3 74.2(2) 16_645 14_665 ? N10 Ag3 Ag2 150.83(16) . 9_554 ? N1 Ag3 Ag2 91.89(13) . 9_554 ? N12 Ag3 Ag2 66.41(14) 14_665 9_554 ? N6 Ag3 Ag2 85.29(15) 16_645 9_554 ? N3 Ag3 Ag2 68.43(13) 14_665 9_554 ? C17 N7 N8 106.8(6) . . ? C17 N7 Ag2 136.5(5) . . ? N8 N7 Ag2 116.6(4) . . ? C18 N8 N7 106.3(5) . . ? N7 Ag2 N11 129.3(2) . 6_665 ? N7 Ag2 N4 92.6(2) . 6_665 ? N11 Ag2 N4 134.8(2) 6_665 6_665 ? N7 Ag2 O7 98.7(2) . . ? N11 Ag2 O7 92.0(2) 6_665 . ? N4 Ag2 O7 98.1(2) 6_665 . ? N7 Ag2 S1 81.13(16) . 9_455 ? N11 Ag2 S1 89.53(17) 6_665 9_455 ? N4 Ag2 S1 80.10(16) 6_665 9_455 ? O7 Ag2 S1 178.13(17) . 9_455 ? N7 Ag2 Ag3 152.11(15) . 9_455 ? N11 Ag2 Ag3 68.67(14) 6_665 9_455 ? N4 Ag2 Ag3 66.15(14) 6_665 9_455 ? O7 Ag2 Ag3 101.90(14) . 9_455 ? S1 Ag2 Ag3 77.67(4) 9_455 9_455 ? S1 C1 H1A 109.5 . . ? S1 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? S1 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? N1 C2 O1 112.1(6) . . ? N1 C2 S1 127.4(5) . . ? O1 C2 S1 119.9(5) . . ? N2 C3 O1 111.7(6) . . ? N2 C3 C4 131.2(6) . . ? O1 C3 C4 117.0(6) . . ? C5 C4 C9 120.8(6) . . ? C5 C4 C3 122.3(6) . . ? C9 C4 C3 116.9(6) . . ? C4 C5 C6 120.4(7) . . ? C4 C5 H5 119.8 . . ? C6 C5 H5 119.8 . . ? C5 C6 C7 119.5(6) . . ? C5 C6 C13 119.6(7) . . ? C7 C6 C13 120.9(6) . . ? C6 C7 C8 119.7(6) . . ? C6 C7 H7 120.2 . . ? C8 C7 H7 120.2 . . ? C9 C8 C7 119.9(7) . . ? C9 C8 C10 119.2(7) . . ? C7 C8 C10 120.9(7) . . ? C8 C9 C4 119.7(7) . . ? C8 C9 H9 120.1 . . ? C4 C9 H9 120.1 . . ? N5 C10 O3 113.2(6) . . ? N5 C10 C8 129.3(6) . . ? O3 C10 C8 117.4(6) . . ? N6 C11 O3 112.4(7) . . ? N6 C11 S3 125.8(6) . . ? O3 C11 S3 121.7(6) . . ? S3 C12 H12A 109.5 . . ? S3 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? S3 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? N3 C13 O2 111.4(6) . . ? N3 C13 C6 127.9(6) . . ? O2 C13 C6 120.6(6) . . ? S2 C15 H15A 109.5 . . ? S2 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? S2 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? S4 C16 H16A 109.5 . . ? S4 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? S4 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? N7 C17 O4 112.2(7) . . ? N7 C17 S4 126.2(6) . . ? O4 C17 S4 121.6(5) . . ? N8 C18 O4 111.4(6) . . ? N8 C18 C19 130.6(6) . . ? O4 C18 C19 117.7(6) . . ? C24 C19 C20 121.2(7) . . ? C24 C19 C18 116.6(6) . . ? C20 C19 C18 122.1(6) . . ? C21 C20 C19 119.4(6) . . ? C21 C20 H20 120.3 . . ? C19 C20 H20 120.3 . . ? C20 C21 C22 120.4(6) . . ? C20 C21 C28 120.8(6) . . ? C22 C21 C28 118.7(6) . . ? C23 C22 C21 119.4(6) . . ? C23 C22 H22 120.3 . . ? C21 C22 H22 120.3 . . ? C22 C23 C24 120.2(6) . . ? C22 C23 C25 123.9(7) . . ? C24 C23 C25 116.0(7) . . ? C19 C24 C23 119.3(7) . . ? C19 C24 H24 120.3 . . ? C23 C24 H24 120.3 . . ? N9 C25 O5 111.7(6) . . ? N9 C25 C23 129.7(7) . . ? O5 C25 C23 118.6(7) . . ? N10 C26 O5 112.7(7) . . ? N10 C26 S6 124.3(6) . . ? O5 C26 S6 122.9(6) . . ? S6 C27 H27A 109.5 . . ? S6 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? S6 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? N12 C28 O6 112.8(6) . . ? N12 C28 C21 130.2(6) . . ? O6 C28 C21 117.0(6) . . ? N11 C29 O6 112.5(6) . . ? N11 C29 S5 131.7(6) . . ? O6 C29 S5 115.7(6) . . ? S5 C30 H30A 109.5 . . ? S5 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? S5 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C2 N1 N2 105.5(5) . . ? C2 N1 Ag3 128.0(4) . . ? N2 N1 Ag3 125.8(4) . . ? C3 N2 N1 107.6(5) . . ? C3 N2 Ag1 138.8(5) . . ? N1 N2 Ag1 113.3(4) . . ? C13 N3 N4 107.1(6) . . ? C13 N3 Ag3 133.1(5) . 14_665 ? N4 N3 Ag3 99.6(4) . 14_665 ? C14 N4 N3 104.8(6) . . ? C14 N4 Ag2 137.6(5) . 6_664 ? N3 N4 Ag2 117.0(4) . 6_664 ? C10 N5 N6 106.7(5) . . ? C11 N6 N5 104.4(6) . . ? C11 N6 Ag3 127.5(5) . 12_654 ? N5 N6 Ag3 126.2(4) . 12_654 ? C25 N9 N10 105.2(6) . . ? C25 N9 Ag1 138.8(5) . . ? N10 N9 Ag1 112.7(4) . . ? C26 N10 N9 106.8(6) . . ? C26 N10 Ag3 129.2(5) . . ? N9 N10 Ag3 122.3(5) . . ? C29 N11 N12 105.0(6) . . ? C29 N11 Ag2 142.9(5) . 6_664 ? N12 N11 Ag2 112.1(4) . 6_664 ? C28 N12 N11 106.8(5) . . ? C28 N12 Ag3 140.4(5) . 14_665 ? N11 N12 Ag3 112.8(4) . 14_665 ? C2 O1 C3 103.0(5) . . ? C14 O2 C13 103.3(6) . . ? C11 O3 C10 103.2(6) . . ? C17 O4 C18 103.3(5) . . ? C26 O5 C25 103.6(6) . . ? C29 O6 C28 102.8(6) . . ? Ag2 O7 H7A 99.3 . . ? Ag2 O7 H7B 92.7 . . ? H7A O7 H7B 114.8 . . ? C38 O8 C35 120.0(16) . . ? C2 S1 C1 99.2(4) . . ? C2 S1 Ag2 111.3(2) . 9_554 ? C1 S1 Ag2 109.7(4) . 9_554 ? C14 S2 C15 102.1(5) . . ? C11 S3 C12 101.3(4) . . ? C17 S4 C16 100.5(4) . . ? C29 S5 C30 100.9(4) . . ? C26 S6 C27 100.1(4) . . ? F3 Sb1 F14 92.9(7) . . ? F3 Sb1 F4 91.9(4) . . ? F14 Sb1 F4 90.3(4) . . ? F3 Sb1 F1 88.3(4) . . ? F14 Sb1 F1 90.2(5) . . ? F4 Sb1 F1 179.5(4) . . ? F3 Sb1 F2 88.5(5) . . ? F14 Sb1 F2 178.5(6) . . ? F4 Sb1 F2 89.3(4) . . ? F1 Sb1 F2 90.2(4) . . ? F3 Sb1 F5 177.0(5) . . ? F14 Sb1 F5 89.9(6) . . ? F4 Sb1 F5 89.0(3) . . ? F1 Sb1 F5 90.7(4) . . ? F2 Sb1 F5 88.7(4) . . ? F7 Sb2 F6 94.6(4) . 14_665 ? F7 Sb2 F6 94.6(4) . . ? F6 Sb2 F6 170.7(8) 14_665 . ? F7 Sb2 F9 89.1(3) . 14_665 ? F6 Sb2 F9 90.7(4) 14_665 14_665 ? F6 Sb2 F9 89.5(4) . 14_665 ? F7 Sb2 F9 89.1(3) . . ? F6 Sb2 F9 89.5(4) 14_665 . ? F6 Sb2 F9 90.7(4) . . ? F9 Sb2 F9 178.2(6) 14_665 . ? F7 Sb2 F8 180.000(9) . . ? F6 Sb2 F8 85.4(4) 14_665 . ? F6 Sb2 F8 85.4(4) . . ? F9 Sb2 F8 90.9(3) 14_665 . ? F9 Sb2 F8 90.9(3) . . ? F15 Sb3 F10 85.7(10) . . ? F15 Sb3 F16 100.9(10) . . ? F10 Sb3 F16 170.8(8) . . ? F15 Sb3 F12 175.9(6) . . ? F10 Sb3 F12 93.0(9) . . ? F16 Sb3 F12 80.0(9) . . ? F15 Sb3 F13 96.6(6) . . ? F10 Sb3 F13 90.4(4) . . ? F16 Sb3 F13 95.1(5) . . ? F12 Sb3 F13 87.3(4) . . ? F15 Sb3 F11 87.0(6) . . ? F10 Sb3 F11 87.8(5) . . ? F16 Sb3 F11 86.2(5) . . ? F12 Sb3 F11 89.1(4) . . ? F13 Sb3 F11 175.9(5) . . ? O8 C38 C37 97.1(12) . . ? O8 C38 H38A 112.3 . . ? C37 C38 H38A 112.3 . . ? O8 C38 H38B 112.3 . . ? C37 C38 H38B 112.3 . . ? H38A C38 H38B 109.9 . . ? O8 C35 C36 103.1(16) . . ? O8 C35 H35A 111.2 . . ? C36 C35 H35A 111.2 . . ? O8 C35 H35B 111.2 . . ? C36 C35 H35B 111.2 . . ? H35A C35 H35B 109.1 . . ? C37 C36 C35 99.6(15) . . ? C37 C36 H36A 111.8 . . ? C35 C36 H36A 111.8 . . ? C37 C36 H36B 111.8 . . ? C35 C36 H36B 111.8 . . ? H36A C36 H36B 109.6 . . ? C36 C37 C38 112.0(14) . . ? C36 C37 H37A 109.4 . . ? C38 C37 H37A 108.8 . . ? C36 C37 H37B 110.1 . . ? C38 C37 H37B 109.7 . . ? H37A C37 H37B 106.7 . . ? O10 C31 C32 104.5(13) . . ? O10 C31 H31A 110.8 . . ? C32 C31 H31A 110.8 . . ? O10 C31 H31B 110.8 . . ? C32 C31 H31B 110.8 . . ? H31A C31 H31B 108.9 . . ? O10 C34 C33 108.8(15) . . ? O10 C34 H34A 109.9 . . ? C33 C34 H34A 109.9 . . ? O10 C34 H34B 109.9 . . ? C33 C34 H34B 109.9 . . ? H34A C34 H34B 108.3 . . ? C33 C32 C31 105.6(12) . . ? C33 C32 H32A 110.6 . . ? C31 C32 H32A 110.6 . . ? C33 C32 H32B 110.6 . . ? C31 C32 H32B 110.6 . . ? H32A C32 H32B 108.8 . . ? C32 C33 C34 96.1(13) . . ? C32 C33 H33A 112.5 . . ? C34 C33 H33A 112.5 . . ? C32 C33 H33B 112.5 . . ? C34 C33 H33B 112.5 . . ? H33A C33 H33B 110.1 . . ? C31 O10 C34 111.9(15) . . ? O10' C31' H31C 114.0 . . ? O10' C31' H31D 114.0 . . ? H31C C31' H31D 111.2 . . ? 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 C39 C39 C40 O9 33(3) 14_665 . . . ? C39 C40 O9 C40 -12.9(10) . . . 14_665 ? C17 N7 N8 C18 -0.2(9) . . . . ? Ag2 N7 N8 C18 -176.8(5) . . . . ? C17 N7 Ag2 N11 93.1(9) . . . 6_665 ? N8 N7 Ag2 N11 -91.6(6) . . . 6_665 ? C17 N7 Ag2 N4 -105.3(8) . . . 6_665 ? N8 N7 Ag2 N4 70.0(5) . . . 6_665 ? C17 N7 Ag2 O7 -6.7(8) . . . . ? N8 N7 Ag2 O7 168.5(5) . . . . ? C17 N7 Ag2 S1 175.2(8) . . . 9_455 ? N8 N7 Ag2 S1 -9.6(5) . . . 9_455 ? C17 N7 Ag2 Ag3 -144.0(6) . . . 9_455 ? N8 N7 Ag2 Ag3 31.2(8) . . . 9_455 ? N2 C3 C4 C5 -25.6(12) . . . . ? O1 C3 C4 C5 155.6(7) . . . . ? N2 C3 C4 C9 156.2(8) . . . . ? O1 C3 C4 C9 -22.7(10) . . . . ? C9 C4 C5 C6 -1.4(11) . . . . ? C3 C4 C5 C6 -179.6(7) . . . . ? C4 C5 C6 C7 -0.2(11) . . . . ? C4 C5 C6 C13 -179.6(7) . . . . ? C5 C6 C7 C8 1.6(11) . . . . ? C13 C6 C7 C8 -179.0(7) . . . . ? C6 C7 C8 C9 -1.5(11) . . . . ? C6 C7 C8 C10 178.7(7) . . . . ? C7 C8 C9 C4 -0.1(11) . . . . ? C10 C8 C9 C4 179.8(7) . . . . ? C5 C4 C9 C8 1.5(11) . . . . ? C3 C4 C9 C8 179.8(7) . . . . ? C9 C8 C10 N5 171.7(8) . . . . ? C7 C8 C10 N5 -8.5(13) . . . . ? C9 C8 C10 O3 -8.5(11) . . . . ? C7 C8 C10 O3 171.3(7) . . . . ? C5 C6 C13 N3 1.1(12) . . . . ? C7 C6 C13 N3 -178.2(8) . . . . ? C5 C6 C13 O2 -179.9(7) . . . . ? C7 C6 C13 O2 0.7(11) . . . . ? N8 N7 C17 O4 0.8(9) . . . . ? Ag2 N7 C17 O4 176.3(6) . . . . ? N8 N7 C17 S4 179.5(6) . . . . ? Ag2 N7 C17 S4 -4.9(12) . . . . ? N7 N8 C18 O4 -0.4(8) . . . . ? N7 N8 C18 C19 -174.5(8) . . . . ? N8 C18 C19 C24 158.4(8) . . . . ? O4 C18 C19 C24 -15.4(10) . . . . ? N8 C18 C19 C20 -20.1(13) . . . . ? O4 C18 C19 C20 166.2(7) . . . . ? C24 C19 C20 C21 0.1(11) . . . . ? C18 C19 C20 C21 178.5(7) . . . . ? C19 C20 C21 C22 0.9(10) . . . . ? C19 C20 C21 C28 177.5(6) . . . . ? C20 C21 C22 C23 -2.9(11) . . . . ? C28 C21 C22 C23 -179.6(6) . . . . ? C21 C22 C23 C24 3.9(11) . . . . ? C21 C22 C23 C25 -175.3(7) . . . . ? C20 C19 C24 C23 0.9(12) . . . . ? C18 C19 C24 C23 -177.6(7) . . . . ? C22 C23 C24 C19 -2.9(12) . . . . ? C25 C23 C24 C19 176.4(7) . . . . ? C22 C23 C25 N9 0.2(14) . . . . ? C24 C23 C25 N9 -179.1(9) . . . . ? C22 C23 C25 O5 179.6(7) . . . . ? C24 C23 C25 O5 0.3(11) . . . . ? C20 C21 C28 N12 149.7(8) . . . . ? C22 C21 C28 N12 -33.6(11) . . . . ? C20 C21 C28 O6 -29.6(10) . . . . ? C22 C21 C28 O6 147.1(7) . . . . ? O1 C2 N1 N2 -0.1(8) . . . . ? S1 C2 N1 N2 -171.2(5) . . . . ? O1 C2 N1 Ag3 -170.7(4) . . . . ? S1 C2 N1 Ag3 18.1(10) . . . . ? N10 Ag3 N1 C2 159.3(6) . . . . ? N12 Ag3 N1 C2 64.5(6) 14_665 . . . ? N6 Ag3 N1 C2 -85.3(7) 16_645 . . . ? N3 Ag3 N1 C2 -69.5(6) 14_665 . . . ? Ag2 Ag3 N1 C2 -1.9(6) 9_554 . . . ? N10 Ag3 N1 N2 -9.6(6) . . . . ? N12 Ag3 N1 N2 -104.4(5) 14_665 . . . ? N6 Ag3 N1 N2 105.8(6) 16_645 . . . ? N3 Ag3 N1 N2 121.6(5) 14_665 . . . ? Ag2 Ag3 N1 N2 -170.8(5) 9_554 . . . ? O1 C3 N2 N1 0.3(8) . . . . ? C4 C3 N2 N1 -178.6(7) . . . . ? O1 C3 N2 Ag1 -173.0(5) . . . . ? C4 C3 N2 Ag1 8.2(13) . . . . ? C2 N1 N2 C3 -0.2(8) . . . . ? Ag3 N1 N2 C3 170.8(5) . . . . ? C2 N1 N2 Ag1 175.0(5) . . . . ? Ag3 N1 N2 Ag1 -14.1(6) . . . . ? N2 Ag1 N2 C3 66.7(7) 14_665 . . . ? N9 Ag1 N2 C3 -70.2(8) 14_665 . . . ? N9 Ag1 N2 C3 -163.5(7) . . . . ? N2 Ag1 N2 N1 -106.3(4) 14_665 . . . ? N9 Ag1 N2 N1 116.8(4) 14_665 . . . ? N9 Ag1 N2 N1 23.5(5) . . . . ? O2 C13 N3 N4 -0.2(9) . . . . ? C6 C13 N3 N4 178.8(7) . . . . ? O2 C13 N3 Ag3 -122.0(6) . . . 14_665 ? C6 C13 N3 Ag3 57.0(11) . . . 14_665 ? O2 C14 N4 N3 -1.1(9) . . . . ? S2 C14 N4 N3 177.5(6) . . . . ? O2 C14 N4 Ag2 169.3(5) . . . 6_664 ? S2 C14 N4 Ag2 -12.1(13) . . . 6_664 ? C13 N3 N4 C14 0.8(8) . . . . ? Ag3 N3 N4 C14 141.8(5) 14_665 . . . ? C13 N3 N4 Ag2 -171.9(5) . . . 6_664 ? Ag3 N3 N4 Ag2 -30.9(5) 14_665 . . 6_664 ? O3 C10 N5 N6 0.5(8) . . . . ? C8 C10 N5 N6 -179.7(8) . . . . ? O3 C11 N6 N5 -1.9(9) . . . . ? S3 C11 N6 N5 -179.0(6) . . . . ? O3 C11 N6 Ag3 162.9(5) . . . 12_654 ? S3 C11 N6 Ag3 -14.2(11) . . . 12_654 ? C10 N5 N6 C11 0.9(8) . . . . ? C10 N5 N6 Ag3 -164.2(5) . . . 12_654 ? O5 C25 N9 N10 -1.4(9) . . . . ? C23 C25 N9 N10 178.0(8) . . . . ? O5 C25 N9 Ag1 -157.6(6) . . . . ? C23 C25 N9 Ag1 21.8(16) . . . . ? N2 Ag1 N9 C25 -73.5(10) 14_665 . . . ? N2 Ag1 N9 C25 157.1(8) . . . . ? N9 Ag1 N9 C25 48.9(8) 14_665 . . . ? N2 Ag1 N9 N10 131.4(5) 14_665 . . . ? N2 Ag1 N9 N10 2.1(6) . . . . ? N9 Ag1 N9 N10 -106.2(6) 14_665 . . . ? O5 C26 N10 N9 1.2(10) . . . . ? S6 C26 N10 N9 179.1(6) . . . . ? O5 C26 N10 Ag3 -163.6(5) . . . . ? S6 C26 N10 Ag3 14.4(11) . . . . ? C25 N9 N10 C26 0.2(9) . . . . ? Ag1 N9 N10 C26 163.4(5) . . . . ? C25 N9 N10 Ag3 166.2(5) . . . . ? Ag1 N9 N10 Ag3 -30.5(7) . . . . ? N1 Ag3 N10 C26 -158.3(7) . . . . ? N12 Ag3 N10 C26 -67.4(7) 14_665 . . . ? N6 Ag3 N10 C26 46.7(7) 16_645 . . . ? N3 Ag3 N10 C26 107.6(8) 14_665 . . . ? Ag2 Ag3 N10 C26 -19.7(10) 9_554 . . . ? N1 Ag3 N10 N9 39.0(6) . . . . ? N12 Ag3 N10 N9 129.9(5) 14_665 . . . ? N6 Ag3 N10 N9 -116.0(6) 16_645 . . . ? N3 Ag3 N10 N9 -55.1(6) 14_665 . . . ? Ag2 Ag3 N10 N9 177.6(4) 9_554 . . . ? O6 C29 N11 N12 2.0(9) . . . . ? S5 C29 N11 N12 179.0(7) . . . . ? O6 C29 N11 Ag2 -178.8(6) . . . 6_664 ? S5 C29 N11 Ag2 -1.8(15) . . . 6_664 ? O6 C28 N12 N11 -2.2(8) . . . . ? C21 C28 N12 N11 178.5(7) . . . . ? O6 C28 N12 Ag3 -179.5(5) . . . 14_665 ? C21 C28 N12 Ag3 1.2(13) . . . 14_665 ? C29 N11 N12 C28 0.1(8) . . . . ? Ag2 N11 N12 C28 -179.4(5) 6_664 . . . ? C29 N11 N12 Ag3 178.2(5) . . . 14_665 ? Ag2 N11 N12 Ag3 -1.2(5) 6_664 . . 14_665 ? N1 C2 O1 C3 0.2(8) . . . . ? S1 C2 O1 C3 172.1(5) . . . . ? N2 C3 O1 C2 -0.3(8) . . . . ? C4 C3 O1 C2 178.7(6) . . . . ? N4 C14 O2 C13 1.0(9) . . . . ? S2 C14 O2 C13 -177.7(6) . . . . ? N3 C13 O2 C14 -0.4(9) . . . . ? C6 C13 O2 C14 -179.5(7) . . . . ? N6 C11 O3 C10 2.2(8) . . . . ? S3 C11 O3 C10 179.4(6) . . . . ? N5 C10 O3 C11 -1.6(8) . . . . ? C8 C10 O3 C11 178.6(7) . . . . ? N7 C17 O4 C18 -1.0(8) . . . . ? S4 C17 O4 C18 -179.8(6) . . . . ? N8 C18 O4 C17 0.9(8) . . . . ? C19 C18 O4 C17 175.8(7) . . . . ? N10 C26 O5 C25 -1.9(9) . . . . ? S6 C26 O5 C25 -179.9(6) . . . . ? N9 C25 O5 C26 2.0(9) . . . . ? C23 C25 O5 C26 -177.5(7) . . . . ? N11 C29 O6 C28 -3.2(8) . . . . ? S5 C29 O6 C28 179.3(5) . . . . ? N12 C28 O6 C29 3.3(8) . . . . ? C21 C28 O6 C29 -177.3(6) . . . . ? N1 C2 S1 C1 -139.4(8) . . . . ? O1 C2 S1 C1 50.1(7) . . . . ? N1 C2 S1 Ag2 -24.0(8) . . . 9_554 ? O1 C2 S1 Ag2 165.5(5) . . . 9_554 ? N4 C14 S2 C15 -174.6(8) . . . . ? O2 C14 S2 C15 3.9(9) . . . . ? N6 C11 S3 C12 -176.8(9) . . . . ? O3 C11 S3 C12 6.3(9) . . . . ? N7 C17 S4 C16 -175.4(8) . . . . ? O4 C17 S4 C16 3.2(8) . . . . ? N11 C29 S5 C30 -1.5(10) . . . . ? O6 C29 S5 C30 175.5(7) . . . . ? N10 C26 S6 C27 170.1(9) . . . . ? O5 C26 S6 C27 -12.2(9) . . . . ? C35 O8 C38 C37 -27(2) . . . . ? C38 O8 C35 C36 33(3) . . . . ? O8 C35 C36 C37 -20(3) . . . . ? C35 C36 C37 C38 7(2) . . . . ? O8 C38 C37 C36 9.4(17) . . . . ? O10 C31 C32 C33 22.0(19) . . . . ? C31 C32 C33 C34 -32.5(17) . . . . ? O10 C34 C33 C32 34.4(19) . . . . ? C32 C31 O10 C34 1(2) . . . . ? C33 C34 O10 C31 -24(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 O7 H7B F1 0.85 2.04 2.856(11) 158.9 14_666 O7 H7A N5 0.85 1.97 2.806(8) 168.5 8_645 _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.04 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.198 _refine_diff_density_min -0.480 _refine_diff_density_rms 0.123