# Electronic Supplementary Material (ESI) for CrystEngComm # This journal is © The Royal Society of Chemistry 2013 ####################################################################### # # 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 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C48 H12 Ag14 F30 N6 O20' _chemical_formula_weight 3072.82 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' 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' 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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P21/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 8.2996(5) _cell_length_b 31.6381(18) _cell_length_c 27.3595(16) _cell_angle_alpha 90.00 _cell_angle_beta 95.4500(10) _cell_angle_gamma 90.00 _cell_volume 7151.7(7) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 118239 _cell_measurement_theta_min 2.33 _cell_measurement_theta_max 27.88 _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.854 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5720 _exptl_absorpt_coefficient_mu 3.888 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.4817 _exptl_absorpt_correction_T_max 0.6526 _exptl_absorpt_process_details SADABS _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 101304 _diffrn_reflns_av_R_equivalents 0.1578 _diffrn_reflns_av_sigmaI/netI 0.0895 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -41 _diffrn_reflns_limit_k_max 41 _diffrn_reflns_limit_l_min -36 _diffrn_reflns_limit_l_max 36 _diffrn_reflns_theta_min 0.99 _diffrn_reflns_theta_max 27.94 _reflns_number_total 17086 _reflns_number_gt 14658 _reflns_threshold_expression >2sigma(I) _computing_data_collection APEX2(Bruker,2003) _computing_cell_refinement SAINT(Bruker,2001) _computing_data_reduction APEX2(Bruker,2003) _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^)+(0.1245P)^2^+33.5060P] 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 17086 _refine_ls_number_parameters 1063 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0907 _refine_ls_R_factor_gt 0.0804 _refine_ls_wR_factor_ref 0.2043 _refine_ls_wR_factor_gt 0.1952 _refine_ls_goodness_of_fit_ref 1.099 _refine_ls_restrained_S_all 1.099 _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 Ag1 Ag 0.04882(8) 0.64320(2) 0.26281(3) 0.02566(16) Uani 1 1 d . . . Ag2 Ag 0.26980(8) 0.61404(2) 0.34549(3) 0.02788(17) Uani 1 1 d . . . Ag3 Ag 0.39983(9) 0.53687(2) 0.30785(3) 0.02902(17) Uani 1 1 d . . . Ag4 Ag 0.12265(9) 0.54074(2) 0.22292(3) 0.02694(16) Uani 1 1 d . . . Ag5 Ag 0.11909(8) 0.61161(2) 0.15584(2) 0.02374(15) Uani 1 1 d . . . Ag6 Ag 0.37294(8) 0.66409(2) 0.19528(3) 0.02400(15) Uani 1 1 d . . . Ag7 Ag 0.57018(9) 0.62260(2) 0.29189(3) 0.02498(16) Uani 1 1 d . . . Ag8 Ag 0.73024(7) 0.681953(18) 0.23428(3) 0.02094(15) Uani 1 1 d . . . Ag9 Ag 0.53361(7) 0.572503(19) 0.19436(2) 0.02094(15) Uani 1 1 d . . . Ag10 Ag 0.78203(8) 0.513363(19) 0.24211(3) 0.02639(16) Uani 1 1 d . . . Ag11 Ag 0.92069(9) 0.56539(2) 0.31714(3) 0.03013(17) Uani 1 1 d . . . Ag12 Ag 0.75638(8) 0.63387(2) 0.14790(2) 0.02269(15) Uani 1 1 d . . . Ag13 Ag 0.74464(8) 0.39614(2) 0.21911(3) 0.02537(16) Uani 1 1 d . . . Ag14 Ag 0.69445(9) 0.79818(2) 0.23863(3) 0.02796(16) Uani 1 1 d . . . C1 C 0.2632(10) 0.6108(3) 0.2300(3) 0.0202(16) Uani 1 1 d . . . C2 C 0.2969(10) 0.5902(2) 0.2683(3) 0.0178(15) Uani 1 1 d . . . C3 C 0.7623(9) 0.6147(2) 0.2248(3) 0.0162(15) Uani 1 1 d . . . C4 C 0.7824(9) 0.5817(2) 0.2490(3) 0.0163(14) Uani 1 1 d . . . C5 C 1.0652(13) 0.5092(3) 0.3842(4) 0.033(2) Uani 1 1 d . . . C6 C 1.1633(13) 0.4840(3) 0.4247(4) 0.037(2) Uani 1 1 d . . . C7 C 0.6201(11) 0.5955(3) 0.4031(3) 0.0228(17) Uani 1 1 d . . . C8 C 0.7182(12) 0.5780(3) 0.4492(3) 0.0285(19) Uani 1 1 d . . . C9 C -0.0082(11) 0.6736(3) 0.3693(4) 0.0264(18) Uani 1 1 d . . . C10 C -0.0935(13) 0.7023(4) 0.4041(4) 0.036(2) Uani 1 1 d . . . C11 C 0.4662(11) 0.7210(3) 0.2950(3) 0.0235(17) Uani 1 1 d . . . C12 C 0.3810(12) 0.7577(3) 0.3184(4) 0.030(2) Uani 1 1 d . . . C13 C 1.0238(11) 0.7370(2) 0.2123(3) 0.0214(17) Uani 1 1 d . . . C14 C 1.0949(12) 0.7779(3) 0.1931(5) 0.038(3) Uani 1 1 d . . . C15 C -0.0212(11) 0.6882(3) 0.0874(3) 0.0236(17) Uani 1 1 d . . . C16 C 0.0039(11) 0.7222(3) 0.0485(4) 0.033(2) Uani 1 1 d . . . C17 C -0.0951(10) 0.5334(3) 0.1241(3) 0.0222(17) Uani 1 1 d . . . C18 C -0.2131(13) 0.5084(3) 0.0864(4) 0.035(2) Uani 1 1 d . . . C19 C 0.4468(11) 0.5990(3) 0.0844(3) 0.0240(17) Uani 1 1 d . . . C20 C 0.3494(13) 0.5906(4) 0.0350(4) 0.042(3) Uani 1 1 d . . . C21 C 0.4618(10) 0.4743(3) 0.1908(3) 0.0212(16) Uani 1 1 d . . . C22 C 0.3588(12) 0.4389(3) 0.1645(5) 0.038(3) Uani 1 1 d . . . C23 C 1.0722(10) 0.4535(2) 0.2742(3) 0.0204(16) Uani 1 1 d . . . C24 C 1.1439(12) 0.4103(3) 0.2927(4) 0.034(2) Uani 1 1 d . . . C25 C 0.5947(12) 0.8042(3) 0.1221(4) 0.032(2) Uani 1 1 d . . . C26 C 0.5499(12) 0.7913(3) 0.0722(4) 0.0290(19) Uani 1 1 d . . . C27 C 0.5537(14) 0.8188(4) 0.0320(4) 0.041(3) Uani 1 1 d . . . H27 H 0.5929 0.8462 0.0370 0.050 Uiso 1 1 calc R . . C28 C 0.5002(16) 0.8057(4) -0.0143(4) 0.047(3) Uani 1 1 d . . . H28 H 0.5021 0.8241 -0.0407 0.056 Uiso 1 1 calc R . . C29 C 0.4444(17) 0.7658(5) -0.0218(4) 0.056(4) Uani 1 1 d . . . H29 H 0.4070 0.7572 -0.0533 0.067 Uiso 1 1 calc R . . C30 C 0.4418(13) 0.7373(4) 0.0170(4) 0.036(2) Uani 1 1 d . . . H30 H 0.4039 0.7099 0.0111 0.043 Uiso 1 1 calc R . . C31 C 0.4956(11) 0.7497(3) 0.0641(3) 0.0238(17) Uani 1 1 d . . . C32 C 0.4825(10) 0.7223(3) 0.1055(3) 0.0241(18) Uani 1 1 d . . . C33 C 0.5917(11) 0.4641(3) 0.3747(3) 0.0238(17) Uani 1 1 d . . . C34 C 0.6658(11) 0.4322(3) 0.4076(4) 0.0273(19) Uani 1 1 d . . . C35 C 0.6826(13) 0.4386(3) 0.4576(4) 0.030(2) Uani 1 1 d . . . H35 H 0.6447 0.4634 0.4707 0.036 Uiso 1 1 calc R . . C36 C 0.7561(13) 0.4079(3) 0.4885(4) 0.035(2) Uani 1 1 d . . . H36 H 0.7670 0.4121 0.5223 0.042 Uiso 1 1 calc R . . C37 C 0.8133(14) 0.3709(3) 0.4690(4) 0.038(2) Uani 1 1 d . . . H37 H 0.8630 0.3505 0.4897 0.046 Uiso 1 1 calc R . . C38 C 0.7963(13) 0.3645(3) 0.4185(4) 0.032(2) Uani 1 1 d . . . H38 H 0.8368 0.3399 0.4055 0.038 Uiso 1 1 calc R . . C39 C 0.7193(10) 0.3945(3) 0.3872(3) 0.0233(17) Uani 1 1 d . . . C40 C 0.6963(12) 0.3875(3) 0.3348(4) 0.029(2) Uani 1 1 d . . . C41 C 0.9432(12) 0.3762(3) 0.1240(4) 0.031(2) Uani 1 1 d . . . C42 C 1.0562(11) 0.3695(3) 0.0878(3) 0.0247(17) Uani 1 1 d . . . C43 C 1.0415(13) 0.3914(3) 0.0437(4) 0.033(2) Uani 1 1 d . . . H43 H 0.9587 0.4109 0.0372 0.039 Uiso 1 1 calc R . . C44 C 1.1513(14) 0.3838(3) 0.0093(4) 0.034(2) Uani 1 1 d . . . H44 H 1.1413 0.3983 -0.0204 0.040 Uiso 1 1 calc R . . C45 C 1.2767(13) 0.3546(4) 0.0192(4) 0.035(2) Uani 1 1 d . . . H45 H 1.3492 0.3494 -0.0040 0.042 Uiso 1 1 calc R . . C46 C 1.2919(12) 0.3337(4) 0.0631(4) 0.034(2) Uani 1 1 d . . . H46 H 1.3755 0.3143 0.0694 0.041 Uiso 1 1 calc R . . C47 C 1.1852(12) 0.3408(3) 0.0985(3) 0.0270(18) Uani 1 1 d . . . C48 C 1.2083(13) 0.3218(3) 0.1461(3) 0.0276(19) Uani 1 1 d . . . F1 F 1.0841(14) 0.4784(7) 0.4622(4) 0.152(8) Uani 1 1 d . . . F2 F 1.3005(11) 0.5017(4) 0.4421(4) 0.083(3) Uani 1 1 d . . . F3 F 1.214(2) 0.4482(3) 0.4077(5) 0.126(6) Uani 1 1 d . . . F4 F 0.688(2) 0.5392(3) 0.4539(5) 0.153(8) Uani 1 1 d . . . F5 F 0.8745(12) 0.5785(5) 0.4448(4) 0.112(5) Uani 1 1 d . . . F6 F 0.6963(16) 0.5980(4) 0.4880(3) 0.109(5) Uani 1 1 d . . . F7 F -0.098(2) 0.6867(5) 0.4469(4) 0.154(8) Uani 1 1 d . . . F8 F -0.0142(17) 0.7378(4) 0.4113(6) 0.130(6) Uani 1 1 d . . . F9 F -0.2386(13) 0.7136(5) 0.3887(4) 0.123(6) Uani 1 1 d . . . F10 F 0.2251(8) 0.7492(2) 0.3225(3) 0.058(2) Uani 1 1 d . . . F11 F 0.4526(10) 0.7664(2) 0.3629(2) 0.0495(18) Uani 1 1 d . . . F12 F 0.3830(9) 0.79368(19) 0.2924(3) 0.0471(17) Uani 1 1 d . . . F13 F 1.0080(9) 0.7917(3) 0.1532(3) 0.062(2) Uani 1 1 d . . . F14 F 1.0887(9) 0.80863(18) 0.2269(3) 0.0504(19) Uani 1 1 d . . . F15 F 1.2474(8) 0.7750(2) 0.1835(3) 0.054(2) Uani 1 1 d . . . F16 F 0.1163(9) 0.7506(2) 0.0663(3) 0.0491(18) Uani 1 1 d . . . F17 F -0.1290(9) 0.7437(3) 0.0341(4) 0.079(3) Uani 1 1 d . . . F18 F 0.0603(9) 0.7062(2) 0.0082(3) 0.0510(18) Uani 1 1 d . . . F19 F -0.2088(14) 0.5210(3) 0.0410(3) 0.081(3) Uani 1 1 d . . . F20 F -0.3662(9) 0.5142(3) 0.0980(4) 0.069(3) Uani 1 1 d . . . F21 F -0.1886(11) 0.4678(2) 0.0896(3) 0.062(2) Uani 1 1 d . . . F22 F 0.2054(10) 0.5721(3) 0.0392(3) 0.069(3) Uani 1 1 d . . . F23 F 0.3200(11) 0.6263(3) 0.0098(3) 0.065(2) Uani 1 1 d . . . F24 F 0.4304(12) 0.5656(4) 0.0064(3) 0.080(3) Uani 1 1 d . . . F25 F 0.2064(9) 0.4415(3) 0.1693(4) 0.070(3) Uani 1 1 d . . . F26 F 0.3784(17) 0.4385(5) 0.1180(4) 0.129(6) Uani 1 1 d . . . F27 F 0.4040(13) 0.4011(3) 0.1808(6) 0.111(5) Uani 1 1 d . . . F28 F 1.0674(9) 0.3951(2) 0.3290(3) 0.0490(18) Uani 1 1 d . . . F29 F 1.2984(8) 0.4110(2) 0.3059(4) 0.067(3) Uani 1 1 d . . . F30 F 1.1168(10) 0.38091(19) 0.2571(3) 0.0521(19) Uani 1 1 d . . . N1 N 0.6230(12) 0.8119(3) 0.1622(4) 0.037(2) Uani 1 1 d . . . N2 N 0.4683(10) 0.7025(2) 0.1391(3) 0.0274(16) Uani 1 1 d . . . N3 N 0.5350(10) 0.4894(2) 0.3491(3) 0.0308(18) Uani 1 1 d . . . N4 N 0.6786(11) 0.3825(3) 0.2935(3) 0.034(2) Uani 1 1 d . . . N5 N 0.8533(11) 0.3792(3) 0.1533(3) 0.0322(18) Uani 1 1 d . . . N6 N 1.2282(14) 0.3088(3) 0.1848(4) 0.043(2) Uani 1 1 d . . . O1 O 0.9372(10) 0.4941(3) 0.3671(3) 0.0441(19) Uani 1 1 d . . . O2 O 1.1234(11) 0.5441(3) 0.3726(3) 0.0449(19) Uani 1 1 d . . . O3 O 0.6924(9) 0.5957(3) 0.3648(3) 0.0376(17) Uani 1 1 d . . . O4 O 0.4834(8) 0.6076(2) 0.4085(3) 0.0311(15) Uani 1 1 d . . . O5 O 0.1157(10) 0.6554(3) 0.3883(3) 0.0390(18) Uani 1 1 d . . . O6 O -0.0690(9) 0.6729(3) 0.3261(3) 0.0362(16) Uani 1 1 d . . . O7 O 0.4551(10) 0.6862(2) 0.3152(3) 0.0381(18) Uani 1 1 d . . . O8 O 0.5465(8) 0.72985(19) 0.2589(3) 0.0292(14) Uani 1 1 d . . . O9 O 0.8768(8) 0.73947(18) 0.2179(3) 0.0297(15) Uani 1 1 d . . . O10 O 1.1164(8) 0.7064(2) 0.2198(3) 0.0299(15) Uani 1 1 d . . . O11 O 0.1018(10) 0.6668(2) 0.0994(3) 0.0413(18) Uani 1 1 d . . . O12 O -0.1592(9) 0.6860(2) 0.1003(3) 0.0359(17) Uani 1 1 d . . . O13 O -0.0700(8) 0.57124(19) 0.1109(2) 0.0249(13) Uani 1 1 d . . . O14 O -0.0482(8) 0.5143(2) 0.1616(3) 0.0284(14) Uani 1 1 d . . . O15 O 0.5776(9) 0.6173(2) 0.0808(2) 0.0338(16) Uani 1 1 d . . . O16 O 0.3880(7) 0.5869(2) 0.1211(3) 0.0294(14) Uani 1 1 d . . . O17 O 0.3951(8) 0.5098(2) 0.1907(3) 0.0348(17) Uani 1 1 d . . . O18 O 0.6010(8) 0.46426(19) 0.2077(3) 0.0310(15) Uani 1 1 d . . . O19 O 0.9256(8) 0.45254(19) 0.2587(3) 0.0277(14) Uani 1 1 d . . . O20 O 1.1694(8) 0.4831(2) 0.2756(3) 0.0300(15) 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 Ag1 0.0220(3) 0.0266(3) 0.0294(4) 0.0089(3) 0.0080(3) 0.0095(2) Ag2 0.0248(3) 0.0407(4) 0.0182(3) 0.0005(3) 0.0024(3) 0.0084(3) Ag3 0.0353(4) 0.0170(3) 0.0316(4) 0.0065(3) -0.0136(3) 0.0003(2) Ag4 0.0279(3) 0.0224(3) 0.0285(4) 0.0077(3) -0.0082(3) -0.0077(2) Ag5 0.0220(3) 0.0278(3) 0.0201(3) 0.0056(2) -0.0048(2) -0.0024(2) Ag6 0.0231(3) 0.0246(3) 0.0243(3) 0.0064(2) 0.0023(3) -0.0056(2) Ag7 0.0298(3) 0.0247(3) 0.0214(3) 0.0062(2) 0.0076(3) 0.0011(2) Ag8 0.0205(3) 0.0122(3) 0.0300(4) 0.0011(2) 0.0018(2) -0.0003(2) Ag9 0.0186(3) 0.0211(3) 0.0219(3) 0.0022(2) -0.0048(2) -0.0044(2) Ag10 0.0249(3) 0.0122(3) 0.0407(4) 0.0001(2) -0.0039(3) -0.0002(2) Ag11 0.0332(4) 0.0349(4) 0.0206(4) 0.0051(3) -0.0062(3) 0.0089(3) Ag12 0.0251(3) 0.0271(3) 0.0163(3) 0.0055(2) 0.0041(2) 0.0009(2) Ag13 0.0297(3) 0.0213(3) 0.0258(4) -0.0050(2) 0.0062(3) -0.0004(2) Ag14 0.0406(4) 0.0198(3) 0.0239(4) -0.0030(2) 0.0049(3) -0.0007(3) C1 0.019(4) 0.019(4) 0.024(4) 0.001(3) 0.005(3) 0.006(3) C2 0.019(4) 0.021(4) 0.014(4) 0.000(3) 0.003(3) 0.000(3) C3 0.014(3) 0.013(3) 0.022(4) 0.002(3) 0.002(3) -0.002(3) C4 0.016(4) 0.015(3) 0.016(4) 0.002(3) -0.005(3) -0.001(3) C5 0.042(6) 0.030(5) 0.029(5) 0.012(4) 0.014(4) 0.006(4) C6 0.035(5) 0.040(5) 0.035(6) 0.012(4) 0.004(4) 0.012(4) C7 0.029(4) 0.019(4) 0.021(4) -0.002(3) 0.001(3) 0.002(3) C8 0.032(5) 0.038(5) 0.014(4) -0.005(4) -0.004(4) 0.011(4) C9 0.026(4) 0.029(4) 0.025(5) 0.001(4) 0.004(4) 0.004(3) C10 0.040(6) 0.042(6) 0.027(5) -0.003(4) 0.004(4) 0.021(4) C11 0.026(4) 0.021(4) 0.024(4) 0.002(3) 0.005(3) 0.001(3) C12 0.035(5) 0.025(4) 0.031(5) -0.006(4) 0.008(4) -0.001(4) C13 0.029(4) 0.012(3) 0.025(4) 0.002(3) 0.013(3) -0.001(3) C14 0.026(5) 0.019(4) 0.071(8) 0.009(4) 0.020(5) -0.004(3) C15 0.032(5) 0.023(4) 0.014(4) 0.008(3) -0.002(3) -0.008(3) C16 0.021(4) 0.040(5) 0.040(6) 0.023(4) 0.008(4) 0.000(4) C17 0.019(4) 0.019(4) 0.029(5) -0.006(3) 0.005(3) 0.004(3) C18 0.041(6) 0.034(5) 0.028(5) -0.007(4) -0.009(4) -0.003(4) C19 0.025(4) 0.030(4) 0.017(4) -0.002(3) 0.001(3) 0.006(3) C20 0.030(5) 0.066(8) 0.030(6) 0.009(5) -0.008(4) -0.018(5) C21 0.018(4) 0.020(4) 0.025(4) 0.001(3) 0.001(3) -0.007(3) C22 0.027(5) 0.029(5) 0.059(7) -0.018(5) 0.004(5) -0.011(4) C23 0.025(4) 0.013(3) 0.023(4) 0.004(3) 0.000(3) 0.001(3) C24 0.021(4) 0.034(5) 0.046(6) 0.003(4) -0.005(4) 0.004(4) C25 0.030(5) 0.025(4) 0.040(6) 0.011(4) 0.008(4) 0.006(4) C26 0.030(5) 0.033(5) 0.024(5) 0.008(4) 0.006(4) 0.008(4) C27 0.045(6) 0.037(5) 0.044(7) 0.019(5) 0.015(5) 0.002(4) C28 0.054(7) 0.059(7) 0.029(6) 0.022(5) 0.015(5) 0.018(6) C29 0.060(8) 0.092(11) 0.016(5) 0.004(6) 0.008(5) 0.014(7) C30 0.037(5) 0.043(6) 0.029(5) -0.003(4) 0.006(4) 0.005(4) C31 0.021(4) 0.028(4) 0.024(4) 0.007(3) 0.010(3) 0.002(3) C32 0.021(4) 0.026(4) 0.027(5) 0.003(4) 0.007(3) 0.003(3) C33 0.024(4) 0.021(4) 0.026(5) 0.002(3) -0.002(3) 0.001(3) C34 0.026(4) 0.021(4) 0.035(5) 0.014(4) 0.002(4) 0.003(3) C35 0.041(5) 0.024(4) 0.025(5) 0.004(4) -0.002(4) -0.001(4) C36 0.039(5) 0.042(5) 0.023(5) 0.010(4) -0.005(4) -0.006(4) C37 0.044(6) 0.032(5) 0.036(6) 0.014(4) -0.001(5) 0.010(4) C38 0.039(5) 0.027(4) 0.030(5) 0.011(4) 0.005(4) 0.011(4) C39 0.022(4) 0.023(4) 0.027(5) 0.004(3) 0.008(3) 0.002(3) C40 0.036(5) 0.022(4) 0.031(5) 0.006(4) 0.009(4) 0.005(3) C41 0.030(5) 0.035(5) 0.027(5) -0.008(4) 0.000(4) 0.002(4) C42 0.020(4) 0.032(4) 0.022(4) -0.003(3) -0.001(3) 0.003(3) C43 0.035(5) 0.039(5) 0.023(5) -0.001(4) -0.010(4) 0.000(4) C44 0.047(6) 0.041(5) 0.013(4) 0.004(4) 0.005(4) 0.003(4) C45 0.034(5) 0.055(6) 0.019(5) 0.007(4) 0.008(4) 0.002(4) C46 0.028(5) 0.048(6) 0.027(5) 0.002(4) 0.007(4) 0.012(4) C47 0.032(5) 0.038(5) 0.011(4) 0.003(3) -0.001(3) -0.002(4) C48 0.045(5) 0.018(4) 0.021(5) 0.001(3) 0.006(4) 0.005(4) F1 0.073(7) 0.31(2) 0.071(7) 0.126(11) 0.021(6) 0.059(10) F2 0.058(5) 0.120(8) 0.062(6) 0.012(6) -0.037(5) 0.008(5) F3 0.215(15) 0.051(5) 0.097(9) 0.002(5) -0.053(9) 0.063(8) F4 0.29(2) 0.036(5) 0.109(10) 0.025(5) -0.117(12) -0.007(7) F5 0.047(5) 0.237(16) 0.049(5) 0.032(8) -0.011(4) 0.037(7) F6 0.147(10) 0.147(10) 0.025(4) -0.027(5) -0.031(5) 0.107(9) F7 0.252(17) 0.173(13) 0.047(6) 0.038(7) 0.069(8) 0.168(13) F8 0.128(11) 0.098(9) 0.177(14) -0.094(10) 0.074(10) -0.022(7) F9 0.074(7) 0.199(14) 0.094(8) -0.069(9) -0.011(6) 0.083(8) F10 0.030(3) 0.054(4) 0.094(6) -0.019(4) 0.030(4) -0.004(3) F11 0.071(5) 0.052(4) 0.026(3) -0.017(3) 0.007(3) 0.004(3) F12 0.068(5) 0.029(3) 0.046(4) 0.000(3) 0.020(3) 0.017(3) F13 0.048(4) 0.060(5) 0.078(6) 0.042(4) 0.013(4) 0.004(3) F14 0.053(4) 0.018(3) 0.083(6) -0.007(3) 0.018(4) -0.008(3) F15 0.033(3) 0.036(3) 0.099(6) 0.016(4) 0.037(4) 0.001(3) F16 0.055(4) 0.029(3) 0.065(5) 0.013(3) 0.013(4) -0.007(3) F17 0.039(4) 0.092(6) 0.108(7) 0.079(6) 0.020(4) 0.027(4) F18 0.062(5) 0.061(4) 0.029(4) 0.015(3) 0.005(3) -0.008(4) F19 0.133(9) 0.079(6) 0.027(4) 0.000(4) -0.019(5) -0.050(6) F20 0.037(4) 0.069(5) 0.096(7) -0.035(5) -0.011(4) -0.006(4) F21 0.079(6) 0.029(3) 0.072(6) -0.019(3) -0.030(4) 0.004(3) F22 0.050(4) 0.108(7) 0.042(4) 0.023(4) -0.026(4) -0.042(5) F23 0.066(5) 0.081(6) 0.044(4) 0.035(4) -0.022(4) -0.019(4) F24 0.078(6) 0.113(8) 0.045(5) -0.046(5) -0.016(4) 0.013(5) F25 0.030(4) 0.061(5) 0.119(8) -0.038(5) 0.003(4) -0.015(3) F26 0.145(11) 0.201(14) 0.047(6) -0.058(7) 0.034(6) -0.123(11) F27 0.078(7) 0.031(4) 0.209(14) -0.025(6) -0.060(8) -0.006(4) F28 0.051(4) 0.034(3) 0.062(5) 0.025(3) 0.005(3) 0.006(3) F29 0.031(4) 0.037(4) 0.127(8) 0.024(4) -0.014(4) 0.005(3) F30 0.070(5) 0.023(3) 0.064(5) -0.003(3) 0.010(4) 0.010(3) N1 0.045(5) 0.025(4) 0.041(6) 0.002(4) -0.001(4) -0.001(4) N2 0.029(4) 0.025(4) 0.028(4) 0.005(3) 0.006(3) 0.001(3) N3 0.030(4) 0.022(4) 0.037(5) 0.006(3) -0.013(3) 0.004(3) N4 0.044(5) 0.026(4) 0.036(5) 0.005(3) 0.020(4) 0.011(3) N5 0.036(5) 0.034(4) 0.027(4) -0.009(3) 0.004(4) 0.005(3) N6 0.066(7) 0.035(5) 0.029(5) 0.005(4) 0.012(4) 0.011(4) O1 0.039(4) 0.052(5) 0.040(5) 0.022(4) -0.005(3) -0.004(4) O2 0.053(5) 0.044(4) 0.036(4) 0.011(4) -0.006(4) -0.005(4) O3 0.038(4) 0.052(4) 0.024(4) 0.004(3) 0.003(3) 0.017(3) O4 0.025(3) 0.044(4) 0.023(3) -0.001(3) -0.004(3) 0.006(3) O5 0.043(4) 0.047(4) 0.027(4) -0.003(3) 0.006(3) 0.021(3) O6 0.031(4) 0.048(4) 0.029(4) -0.003(3) 0.001(3) 0.008(3) O7 0.046(4) 0.020(3) 0.052(5) 0.003(3) 0.026(4) 0.000(3) O8 0.037(4) 0.018(3) 0.036(4) 0.004(3) 0.015(3) 0.004(2) O9 0.024(3) 0.013(3) 0.054(5) 0.002(3) 0.011(3) -0.004(2) O10 0.026(3) 0.022(3) 0.043(4) 0.004(3) 0.013(3) 0.005(2) O11 0.041(4) 0.039(4) 0.041(4) 0.020(3) -0.009(3) 0.000(3) O12 0.033(4) 0.036(4) 0.040(4) 0.020(3) 0.012(3) -0.002(3) O13 0.022(3) 0.026(3) 0.027(3) 0.001(2) 0.001(3) -0.001(2) O14 0.030(3) 0.027(3) 0.027(4) 0.003(3) -0.003(3) 0.003(3) O15 0.031(4) 0.053(4) 0.016(3) -0.003(3) -0.001(3) -0.010(3) O16 0.015(3) 0.047(4) 0.026(3) 0.008(3) 0.000(2) 0.003(3) O17 0.020(3) 0.020(3) 0.065(5) -0.003(3) 0.007(3) 0.001(2) O18 0.026(3) 0.018(3) 0.046(4) -0.002(3) -0.011(3) -0.004(2) O19 0.028(3) 0.016(3) 0.037(4) -0.002(3) -0.007(3) -0.002(2) O20 0.030(3) 0.025(3) 0.033(4) 0.011(3) -0.006(3) -0.011(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 O6 2.271(7) . ? Ag1 C1 2.308(8) . ? Ag1 O10 2.414(6) 1_455 ? Ag1 C2 2.648(8) . ? Ag1 C3 2.661(8) 1_455 ? Ag1 Ag2 2.9230(10) . ? Ag1 Ag8 2.9515(9) 1_455 ? Ag1 Ag11 3.1148(10) 1_455 ? Ag1 Ag5 3.1984(10) . ? Ag2 O5 2.237(7) . ? Ag2 C2 2.273(8) . ? Ag2 O4 2.362(7) . ? Ag2 Ag3 2.8979(10) . ? Ag2 Ag7 3.0223(10) . ? Ag2 Ag11 3.3075(11) 1_455 ? Ag3 N3 2.132(7) . ? Ag3 C2 2.138(8) . ? Ag3 Ag7 3.1085(9) . ? Ag3 Ag4 3.1131(10) . ? Ag4 O14 2.253(7) . ? Ag4 O20 2.334(6) 1_455 ? Ag4 C2 2.396(8) . ? Ag4 C1 2.505(8) . ? Ag4 Ag5 2.8958(9) . ? Ag4 Ag10 3.0497(10) 1_455 ? Ag4 Ag11 3.2991(11) 1_455 ? Ag5 C1 2.255(9) . ? Ag5 O13 2.288(6) . ? Ag5 O11 2.325(7) . ? Ag5 Ag6 2.8158(9) . ? Ag5 Ag12 3.0792(9) 1_455 ? Ag6 N2 2.167(8) . ? Ag6 C1 2.176(8) . ? Ag6 Ag8 3.1066(9) . ? Ag6 Ag9 3.1907(9) . ? Ag6 Ag7 3.2507(10) . ? Ag7 O3 2.311(7) . ? Ag7 O7 2.342(7) . ? Ag7 C2 2.517(8) . ? Ag7 C3 2.555(8) . ? Ag7 C4 2.559(8) . ? Ag7 Ag8 2.8590(9) . ? Ag7 Ag9 3.0936(10) . ? Ag8 C3 2.163(7) . ? Ag8 O9 2.257(6) . ? Ag8 O8 2.295(6) . ? Ag8 Ag12 2.8361(9) . ? Ag8 Ag1 2.9515(9) 1_655 ? Ag9 O16 2.286(7) . ? Ag9 O17 2.290(6) . ? Ag9 C3 2.404(8) . ? Ag9 C4 2.448(8) . ? Ag9 Ag10 2.9912(9) . ? Ag9 Ag12 3.0414(9) . ? Ag10 C4 2.170(8) . ? Ag10 O19 2.286(6) . ? Ag10 O18 2.300(6) . ? Ag10 Ag11 2.7926(10) . ? Ag10 Ag4 3.0497(10) 1_655 ? Ag11 C4 2.158(8) . ? Ag11 O2 2.258(8) . ? Ag11 O3 2.584(7) . ? Ag11 Ag1 3.1148(10) 1_655 ? Ag11 Ag4 3.2991(11) 1_655 ? Ag11 Ag2 3.3075(11) 1_655 ? Ag12 C3 2.186(8) . ? Ag12 O12 2.254(6) 1_655 ? Ag12 O15 2.309(7) . ? Ag12 Ag5 3.0792(9) 1_655 ? Ag13 N5 2.158(8) . ? Ag13 N4 2.201(9) . ? Ag13 O18 2.468(6) . ? Ag13 O19 2.511(6) . ? Ag14 N6 2.159(10) 2_755 ? Ag14 N1 2.161(10) . ? Ag14 O9 2.495(6) . ? Ag14 O8 2.572(6) . ? C1 C2 1.245(12) . ? C3 C4 1.238(11) . ? C3 Ag1 2.661(8) 1_655 ? C5 O1 1.218(14) . ? C5 O2 1.257(12) . ? C5 C6 1.534(14) . ? C6 F1 1.281(15) . ? C6 F3 1.308(15) . ? C6 F2 1.316(15) . ? C7 O4 1.220(11) . ? C7 O3 1.257(11) . ? C7 C8 1.538(12) . ? C8 F4 1.261(14) . ? C8 F6 1.262(12) . ? C8 F5 1.315(14) . ? C9 O6 1.241(12) . ? C9 O5 1.249(12) . ? C9 C10 1.537(13) . ? C10 F7 1.272(15) . ? C10 F9 1.288(14) . ? C10 F8 1.307(16) . ? C11 O7 1.238(11) . ? C11 O8 1.276(11) . ? C11 C12 1.529(12) . ? C12 F11 1.333(12) . ? C12 F10 1.336(12) . ? C12 F12 1.345(12) . ? C13 O10 1.240(10) . ? C13 O9 1.246(11) . ? C13 C14 1.537(11) . ? C14 F15 1.320(11) . ? C14 F13 1.324(15) . ? C14 F14 1.346(13) . ? C15 O12 1.233(12) . ? C15 O11 1.244(12) . ? C15 C16 1.543(12) . ? C16 F17 1.322(12) . ? C16 F18 1.336(13) . ? C16 F16 1.352(13) . ? C17 O14 1.224(11) . ? C17 O13 1.272(10) . ? C17 C18 1.568(13) . ? C18 F21 1.302(12) . ? C18 F19 1.306(14) . ? C18 F20 1.352(14) . ? C19 O16 1.219(11) . ? C19 O15 1.243(12) . ? C19 C20 1.531(14) . ? C20 F23 1.332(15) . ? C20 F24 1.337(16) . ? C20 F22 1.345(12) . ? C21 O18 1.244(11) . ? C21 O17 1.252(11) . ? C21 C22 1.546(12) . ? C22 F25 1.286(12) . ? C22 F26 1.299(15) . ? C22 F27 1.319(15) . ? C23 O20 1.234(10) . ? C23 O19 1.250(11) . ? C23 C24 1.556(12) . ? C24 F29 1.299(12) . ? C24 F28 1.318(13) . ? C24 F30 1.351(13) . ? C25 N1 1.128(14) . ? C25 C26 1.440(15) . ? C26 C31 1.401(13) . ? C26 C27 1.406(13) . ? C27 C28 1.368(19) . ? C27 H27 0.9300 . ? C28 C29 1.35(2) . ? C28 H28 0.9300 . ? C29 C30 1.393(17) . ? C29 H29 0.9300 . ? C30 C31 1.380(15) . ? C30 H30 0.9300 . ? C31 C32 1.437(12) . ? C32 N2 1.130(12) . ? C33 N3 1.137(12) . ? C33 C34 1.449(12) . ? C34 C35 1.377(14) . ? C34 C39 1.407(13) . ? C35 C36 1.389(14) . ? C35 H35 0.9300 . ? C36 C37 1.388(16) . ? C36 H36 0.9300 . ? C37 C38 1.391(16) . ? C37 H37 0.9300 . ? C38 C39 1.392(12) . ? C38 H38 0.9300 . ? C39 C40 1.444(14) . ? C40 N4 1.136(14) . ? C41 N5 1.148(13) . ? C41 C42 1.443(13) . ? C42 C43 1.385(14) . ? C42 C47 1.415(13) . ? C43 C44 1.392(15) . ? C43 H43 0.9300 . ? C44 C45 1.399(15) . ? C44 H44 0.9300 . ? C45 C46 1.366(14) . ? C45 H45 0.9300 . ? C46 C47 1.391(13) . ? C46 H46 0.9300 . ? C47 C48 1.430(12) . ? C48 N6 1.133(13) . ? N6 Ag14 2.159(10) 2_745 ? O10 Ag1 2.414(6) 1_655 ? O12 Ag12 2.254(6) 1_455 ? O20 Ag4 2.334(6) 1_655 ? 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 O6 Ag1 C1 152.1(3) . . ? O6 Ag1 O10 99.5(3) . 1_455 ? C1 Ag1 O10 87.4(3) . 1_455 ? O6 Ag1 C2 127.4(3) . . ? C1 Ag1 C2 28.0(3) . . ? O10 Ag1 C2 109.7(2) 1_455 . ? O6 Ag1 C3 90.3(3) . 1_455 ? C1 Ag1 C3 113.0(3) . 1_455 ? O10 Ag1 C3 109.3(2) 1_455 1_455 ? C2 Ag1 C3 118.0(2) . 1_455 ? O6 Ag1 Ag2 79.89(19) . . ? C1 Ag1 Ag2 73.2(2) . . ? O10 Ag1 Ag2 118.77(18) 1_455 . ? C2 Ag1 Ag2 47.85(18) . . ? C3 Ag1 Ag2 131.85(17) 1_455 . ? O6 Ag1 Ag8 65.80(19) . 1_455 ? C1 Ag1 Ag8 141.8(2) . 1_455 ? O10 Ag1 Ag8 76.74(16) 1_455 1_455 ? C2 Ag1 Ag8 161.82(18) . 1_455 ? C3 Ag1 Ag8 44.96(16) 1_455 1_455 ? Ag2 Ag1 Ag8 144.71(3) . 1_455 ? O6 Ag1 Ag11 76.8(2) . 1_455 ? C1 Ag1 Ag11 98.4(2) . 1_455 ? O10 Ag1 Ag11 173.41(16) 1_455 1_455 ? C2 Ag1 Ag11 76.78(17) . 1_455 ? C3 Ag1 Ag11 65.52(17) 1_455 1_455 ? Ag2 Ag1 Ag11 66.34(2) . 1_455 ? Ag8 Ag1 Ag11 96.70(3) 1_455 1_455 ? O6 Ag1 Ag5 162.95(19) . . ? C1 Ag1 Ag5 44.8(2) . . ? O10 Ag1 Ag5 75.01(17) 1_455 . ? C2 Ag1 Ag5 69.25(18) . . ? C3 Ag1 Ag5 76.73(18) 1_455 . ? Ag2 Ag1 Ag5 117.00(3) . . ? Ag8 Ag1 Ag5 97.15(3) 1_455 . ? Ag11 Ag1 Ag5 106.85(3) 1_455 . ? O5 Ag2 C2 142.4(3) . . ? O5 Ag2 O4 95.4(3) . . ? C2 Ag2 O4 121.1(3) . . ? O5 Ag2 Ag3 158.3(2) . . ? C2 Ag2 Ag3 47.0(2) . . ? O4 Ag2 Ag3 84.72(17) . . ? O5 Ag2 Ag1 82.7(2) . . ? C2 Ag2 Ag1 59.7(2) . . ? O4 Ag2 Ag1 164.71(19) . . ? Ag3 Ag2 Ag1 102.61(3) . . ? O5 Ag2 Ag7 137.8(2) . . ? C2 Ag2 Ag7 54.6(2) . . ? O4 Ag2 Ag7 76.44(17) . . ? Ag3 Ag2 Ag7 63.30(2) . . ? Ag1 Ag2 Ag7 94.71(3) . . ? O5 Ag2 Ag11 82.1(2) . 1_455 ? C2 Ag2 Ag11 77.8(2) . 1_455 ? O4 Ag2 Ag11 135.34(18) . 1_455 ? Ag3 Ag2 Ag11 82.65(3) . 1_455 ? Ag1 Ag2 Ag11 59.61(2) . 1_455 ? Ag7 Ag2 Ag11 132.26(3) . 1_455 ? N3 Ag3 C2 171.3(3) . . ? N3 Ag3 Ag2 126.9(2) . . ? C2 Ag3 Ag2 51.0(2) . . ? N3 Ag3 Ag7 117.7(2) . . ? C2 Ag3 Ag7 53.5(2) . . ? Ag2 Ag3 Ag7 60.30(2) . . ? N3 Ag3 Ag4 137.5(2) . . ? C2 Ag3 Ag4 50.2(2) . . ? Ag2 Ag3 Ag4 87.62(3) . . ? Ag7 Ag3 Ag4 100.05(3) . . ? O14 Ag4 O20 103.0(2) . 1_455 ? O14 Ag4 C2 159.2(3) . . ? O20 Ag4 C2 97.7(3) 1_455 . ? O14 Ag4 C1 129.9(3) . . ? O20 Ag4 C1 126.5(3) 1_455 . ? C2 Ag4 C1 29.3(3) . . ? O14 Ag4 Ag5 81.25(17) . . ? O20 Ag4 Ag5 170.90(17) 1_455 . ? C2 Ag4 Ag5 78.00(19) . . ? C1 Ag4 Ag5 48.7(2) . . ? O14 Ag4 Ag10 59.63(18) . 1_455 ? O20 Ag4 Ag10 76.95(17) 1_455 1_455 ? C2 Ag4 Ag10 128.31(19) . 1_455 ? C1 Ag4 Ag10 132.12(18) . 1_455 ? Ag5 Ag4 Ag10 112.04(3) . 1_455 ? O14 Ag4 Ag3 155.45(17) . . ? O20 Ag4 Ag3 55.97(16) 1_455 . ? C2 Ag4 Ag3 43.28(19) . . ? C1 Ag4 Ag3 70.8(2) . . ? Ag5 Ag4 Ag3 117.77(3) . . ? Ag10 Ag4 Ag3 119.45(3) 1_455 . ? O14 Ag4 Ag11 109.82(18) . 1_455 ? O20 Ag4 Ag11 76.64(19) 1_455 1_455 ? C2 Ag4 Ag11 76.53(19) . 1_455 ? C1 Ag4 Ag11 89.88(19) . 1_455 ? Ag5 Ag4 Ag11 109.69(3) . 1_455 ? Ag10 Ag4 Ag11 52.01(2) 1_455 1_455 ? Ag3 Ag4 Ag11 79.65(3) . 1_455 ? C1 Ag5 O13 139.0(3) . . ? C1 Ag5 O11 126.8(3) . . ? O13 Ag5 O11 93.8(3) . . ? C1 Ag5 Ag6 49.3(2) . . ? O13 Ag5 Ag6 170.01(16) . . ? O11 Ag5 Ag6 79.0(2) . . ? C1 Ag5 Ag4 56.6(2) . . ? O13 Ag5 Ag4 82.72(16) . . ? O11 Ag5 Ag4 176.5(2) . . ? Ag6 Ag5 Ag4 104.56(3) . . ? C1 Ag5 Ag12 119.8(2) . 1_455 ? O13 Ag5 Ag12 58.26(16) . 1_455 ? O11 Ag5 Ag12 77.5(2) . 1_455 ? Ag6 Ag5 Ag12 125.66(3) . 1_455 ? Ag4 Ag5 Ag12 99.96(3) . 1_455 ? C1 Ag5 Ag1 46.2(2) . . ? O13 Ag5 Ag1 119.37(16) . . ? O11 Ag5 Ag1 111.6(2) . . ? Ag6 Ag5 Ag1 70.11(2) . . ? Ag4 Ag5 Ag1 69.74(2) . . ? Ag12 Ag5 Ag1 74.40(2) 1_455 . ? N2 Ag6 C1 160.0(3) . . ? N2 Ag6 Ag5 111.7(2) . . ? C1 Ag6 Ag5 51.8(2) . . ? N2 Ag6 Ag8 75.0(2) . . ? C1 Ag6 Ag8 114.6(2) . . ? Ag5 Ag6 Ag8 153.38(3) . . ? N2 Ag6 Ag9 108.8(2) . . ? C1 Ag6 Ag9 59.5(2) . . ? Ag5 Ag6 Ag9 76.09(2) . . ? Ag8 Ag6 Ag9 77.41(2) . . ? N2 Ag6 Ag7 127.8(2) . . ? C1 Ag6 Ag7 62.1(2) . . ? Ag5 Ag6 Ag7 111.97(3) . . ? Ag8 Ag6 Ag7 53.39(2) . . ? Ag9 Ag6 Ag7 57.40(2) . . ? O3 Ag7 O7 103.8(3) . . ? O3 Ag7 C2 112.5(3) . . ? O7 Ag7 C2 92.2(3) . . ? O3 Ag7 C3 109.3(3) . . ? O7 Ag7 C3 125.3(2) . . ? C2 Ag7 C3 112.6(3) . . ? O3 Ag7 C4 86.9(2) . . ? O7 Ag7 C4 151.1(2) . . ? C2 Ag7 C4 108.6(2) . . ? C3 Ag7 C4 28.0(2) . . ? O3 Ag7 Ag8 121.9(2) . . ? O7 Ag7 Ag8 78.96(17) . . ? C2 Ag7 Ag8 125.51(18) . . ? C3 Ag7 Ag8 46.67(16) . . ? C4 Ag7 Ag8 72.72(17) . . ? O3 Ag7 Ag2 82.13(19) . . ? O7 Ag7 Ag2 64.43(17) . . ? C2 Ag7 Ag2 47.39(18) . . ? C3 Ag7 Ag2 159.98(18) . . ? C4 Ag7 Ag2 144.38(17) . . ? Ag8 Ag7 Ag2 140.74(3) . . ? O3 Ag7 Ag9 123.69(19) . . ? O7 Ag7 Ag9 131.8(2) . . ? C2 Ag7 Ag9 63.78(18) . . ? C3 Ag7 Ag9 49.25(18) . . ? C4 Ag7 Ag9 50.25(17) . . ? Ag8 Ag7 Ag9 82.74(2) . . ? Ag2 Ag7 Ag9 110.78(3) . . ? O3 Ag7 Ag3 74.1(2) . . ? O7 Ag7 Ag3 120.59(17) . . ? C2 Ag7 Ag3 43.10(18) . . ? C3 Ag7 Ag3 109.80(16) . . ? C4 Ag7 Ag3 88.02(17) . . ? Ag8 Ag7 Ag3 153.12(3) . . ? Ag2 Ag7 Ag3 56.40(2) . . ? Ag9 Ag7 Ag3 70.46(2) . . ? O3 Ag7 Ag6 174.70(18) . . ? O7 Ag7 Ag6 71.8(2) . . ? C2 Ag7 Ag6 65.42(18) . . ? C3 Ag7 Ag6 75.87(18) . . ? C4 Ag7 Ag6 98.41(18) . . ? Ag8 Ag7 Ag6 60.72(2) . . ? Ag2 Ag7 Ag6 93.20(3) . . ? Ag9 Ag7 Ag6 60.33(2) . . ? Ag3 Ag7 Ag6 105.42(3) . . ? C3 Ag8 O9 134.0(3) . . ? C3 Ag8 O8 141.0(3) . . ? O9 Ag8 O8 84.9(2) . . ? C3 Ag8 Ag12 49.7(2) . . ? O9 Ag8 Ag12 100.49(19) . . ? O8 Ag8 Ag12 134.73(19) . . ? C3 Ag8 Ag7 59.2(2) . . ? O9 Ag8 Ag7 157.8(2) . . ? O8 Ag8 Ag7 85.16(16) . . ? Ag12 Ag8 Ag7 100.57(3) . . ? C3 Ag8 Ag1 60.4(2) . 1_655 ? O9 Ag8 Ag1 84.33(17) . 1_655 ? O8 Ag8 Ag1 143.14(19) . 1_655 ? Ag12 Ag8 Ag1 81.96(3) . 1_655 ? Ag7 Ag8 Ag1 91.88(3) . 1_655 ? C3 Ag8 Ag6 84.5(2) . . ? O9 Ag8 Ag6 126.40(19) . . ? O8 Ag8 Ag6 65.27(19) . . ? Ag12 Ag8 Ag6 76.25(2) . . ? Ag7 Ag8 Ag6 65.89(2) . . ? Ag1 Ag8 Ag6 144.81(3) 1_655 . ? O16 Ag9 O17 85.0(3) . . ? O16 Ag9 C3 121.8(3) . . ? O17 Ag9 C3 150.8(3) . . ? O16 Ag9 C4 148.9(3) . . ? O17 Ag9 C4 121.4(3) . . ? C3 Ag9 C4 29.6(3) . . ? O16 Ag9 Ag10 142.41(18) . . ? O17 Ag9 Ag10 78.45(18) . . ? C3 Ag9 Ag10 72.98(18) . . ? C4 Ag9 Ag10 45.69(18) . . ? O16 Ag9 Ag12 78.36(17) . . ? O17 Ag9 Ag12 149.0(2) . . ? C3 Ag9 Ag12 45.5(2) . . ? C4 Ag9 Ag12 70.62(18) . . ? Ag10 Ag9 Ag12 99.25(3) . . ? O16 Ag9 Ag7 130.92(18) . . ? O17 Ag9 Ag7 119.3(2) . . ? C3 Ag9 Ag7 53.62(19) . . ? C4 Ag9 Ag7 53.47(19) . . ? Ag10 Ag9 Ag7 86.36(3) . . ? Ag12 Ag9 Ag7 91.13(2) . . ? O16 Ag9 Ag6 68.90(19) . . ? O17 Ag9 Ag6 125.35(16) . . ? C3 Ag9 Ag6 79.03(18) . . ? C4 Ag9 Ag6 102.47(18) . . ? Ag10 Ag9 Ag6 146.70(3) . . ? Ag12 Ag9 Ag6 72.22(2) . . ? Ag7 Ag9 Ag6 62.28(2) . . ? C4 Ag10 O19 145.6(3) . . ? C4 Ag10 O18 134.7(3) . . ? O19 Ag10 O18 79.7(2) . . ? C4 Ag10 Ag11 49.6(2) . . ? O19 Ag10 Ag11 100.35(17) . . ? O18 Ag10 Ag11 155.1(2) . . ? C4 Ag10 Ag9 53.8(2) . . ? O19 Ag10 Ag9 159.70(16) . . ? O18 Ag10 Ag9 81.22(16) . . ? Ag11 Ag10 Ag9 99.86(3) . . ? C4 Ag10 Ag4 74.8(2) . 1_655 ? O19 Ag10 Ag4 78.40(17) . 1_655 ? O18 Ag10 Ag4 134.6(2) . 1_655 ? Ag11 Ag10 Ag4 68.60(3) . 1_655 ? Ag9 Ag10 Ag4 111.03(3) . 1_655 ? C4 Ag11 O2 162.4(3) . . ? C4 Ag11 O3 89.5(3) . . ? O2 Ag11 O3 107.9(3) . . ? C4 Ag11 Ag10 50.0(2) . . ? O2 Ag11 Ag10 123.1(2) . . ? O3 Ag11 Ag10 108.59(19) . . ? C4 Ag11 Ag1 64.9(2) . 1_655 ? O2 Ag11 Ag1 106.9(2) . 1_655 ? O3 Ag11 Ag1 104.29(18) . 1_655 ? Ag10 Ag11 Ag1 104.51(3) . 1_655 ? C4 Ag11 Ag4 69.5(2) . 1_655 ? O2 Ag11 Ag4 93.0(2) . 1_655 ? O3 Ag11 Ag4 158.90(16) . 1_655 ? Ag10 Ag11 Ag4 59.39(2) . 1_655 ? Ag1 Ag11 Ag4 65.93(2) 1_655 1_655 ? C4 Ag11 Ag2 118.3(2) . 1_655 ? O2 Ag11 Ag2 53.2(2) . 1_655 ? O3 Ag11 Ag2 112.14(19) . 1_655 ? Ag10 Ag11 Ag2 137.51(3) . 1_655 ? Ag1 Ag11 Ag2 54.05(2) 1_655 1_655 ? Ag4 Ag11 Ag2 78.14(2) 1_655 1_655 ? C3 Ag12 O12 141.2(3) . 1_655 ? C3 Ag12 O15 131.0(3) . . ? O12 Ag12 O15 85.3(3) 1_655 . ? C3 Ag12 Ag8 48.9(2) . . ? O12 Ag12 Ag8 98.1(2) 1_655 . ? O15 Ag12 Ag8 133.64(19) . . ? C3 Ag12 Ag9 51.7(2) . . ? O12 Ag12 Ag9 160.6(2) 1_655 . ? O15 Ag12 Ag9 79.47(18) . . ? Ag8 Ag12 Ag9 84.06(2) . . ? C3 Ag12 Ag5 86.3(2) . 1_655 ? O12 Ag12 Ag5 81.54(19) 1_655 1_655 ? O15 Ag12 Ag5 123.67(19) . 1_655 ? Ag8 Ag12 Ag5 102.45(3) . 1_655 ? Ag9 Ag12 Ag5 116.97(3) . 1_655 ? N5 Ag13 N4 152.1(3) . . ? N5 Ag13 O18 110.3(3) . . ? N4 Ag13 O18 97.4(3) . . ? N5 Ag13 O19 104.9(3) . . ? N4 Ag13 O19 86.1(3) . . ? O18 Ag13 O19 72.3(2) . . ? N6 Ag14 N1 159.4(3) 2_755 . ? N6 Ag14 O9 101.8(3) 2_755 . ? N1 Ag14 O9 92.7(3) . . ? N6 Ag14 O8 91.5(3) 2_755 . ? N1 Ag14 O8 106.5(3) . . ? O9 Ag14 O8 74.65(19) . . ? C2 C1 Ag6 134.7(7) . . ? C2 C1 Ag5 145.2(7) . . ? Ag6 C1 Ag5 78.9(3) . . ? C2 C1 Ag1 91.4(6) . . ? Ag6 C1 Ag1 101.3(3) . . ? Ag5 C1 Ag1 89.0(3) . . ? C2 C1 Ag4 70.5(5) . . ? Ag6 C1 Ag4 149.7(4) . . ? Ag5 C1 Ag4 74.7(3) . . ? Ag1 C1 Ag4 93.0(3) . . ? C1 C2 Ag3 152.5(7) . . ? C1 C2 Ag2 125.1(6) . . ? Ag3 C2 Ag2 82.1(3) . . ? C1 C2 Ag4 80.2(6) . . ? Ag3 C2 Ag4 86.5(3) . . ? Ag2 C2 Ag4 126.2(3) . . ? C1 C2 Ag7 97.3(6) . . ? Ag3 C2 Ag7 83.4(3) . . ? Ag2 C2 Ag7 78.1(2) . . ? Ag4 C2 Ag7 152.1(4) . . ? C1 C2 Ag1 60.6(5) . . ? Ag3 C2 Ag1 143.1(4) . . ? Ag2 C2 Ag1 72.4(2) . . ? Ag4 C2 Ag1 87.5(3) . . ? Ag7 C2 Ag1 115.7(3) . . ? C4 C3 Ag8 141.0(7) . . ? C4 C3 Ag12 137.5(7) . . ? Ag8 C3 Ag12 81.4(3) . . ? C4 C3 Ag9 77.2(5) . . ? Ag8 C3 Ag9 119.1(3) . . ? Ag12 C3 Ag9 82.9(3) . . ? C4 C3 Ag7 76.2(5) . . ? Ag8 C3 Ag7 74.1(2) . . ? Ag12 C3 Ag7 134.9(3) . . ? Ag9 C3 Ag7 77.1(2) . . ? C4 C3 Ag1 90.4(5) . 1_655 ? Ag8 C3 Ag1 74.7(2) . 1_655 ? Ag12 C3 Ag1 102.7(3) . 1_655 ? Ag9 C3 Ag1 166.1(3) . 1_655 ? Ag7 C3 Ag1 106.4(3) . 1_655 ? C3 C4 Ag11 134.2(6) . . ? C3 C4 Ag10 142.6(7) . . ? Ag11 C4 Ag10 80.4(3) . . ? C3 C4 Ag9 73.2(5) . . ? Ag11 C4 Ag9 147.9(4) . . ? Ag10 C4 Ag9 80.5(2) . . ? C3 C4 Ag7 75.8(5) . . ? Ag11 C4 Ag7 93.3(3) . . ? Ag10 C4 Ag7 123.2(3) . . ? Ag9 C4 Ag7 76.3(2) . . ? O1 C5 O2 126.0(10) . . ? O1 C5 C6 117.3(9) . . ? O2 C5 C6 116.7(10) . . ? F1 C6 F3 111.8(14) . . ? F1 C6 F2 105.2(12) . . ? F3 C6 F2 101.6(11) . . ? F1 C6 C5 111.8(9) . . ? F3 C6 C5 111.0(10) . . ? F2 C6 C5 114.9(10) . . ? O4 C7 O3 128.5(9) . . ? O4 C7 C8 116.0(8) . . ? O3 C7 C8 115.5(8) . . ? F4 C8 F6 110.8(13) . . ? F4 C8 F5 103.0(13) . . ? F6 C8 F5 107.1(11) . . ? F4 C8 C7 109.8(9) . . ? F6 C8 C7 113.8(8) . . ? F5 C8 C7 111.8(9) . . ? O6 C9 O5 129.3(9) . . ? O6 C9 C10 115.6(8) . . ? O5 C9 C10 115.1(9) . . ? F7 C10 F9 107.6(13) . . ? F7 C10 F8 104.7(15) . . ? F9 C10 F8 104.7(13) . . ? F7 C10 C9 113.3(9) . . ? F9 C10 C9 115.5(10) . . ? F8 C10 C9 110.2(10) . . ? O7 C11 O8 127.4(8) . . ? O7 C11 C12 115.5(8) . . ? O8 C11 C12 117.0(8) . . ? F11 C12 F10 108.4(9) . . ? F11 C12 F12 106.3(8) . . ? F10 C12 F12 105.9(9) . . ? F11 C12 C11 110.8(8) . . ? F10 C12 C11 111.9(8) . . ? F12 C12 C11 113.1(8) . . ? O10 C13 O9 128.9(8) . . ? O10 C13 C14 117.5(8) . . ? O9 C13 C14 113.6(7) . . ? F15 C14 F13 108.4(10) . . ? F15 C14 F14 106.7(9) . . ? F13 C14 F14 106.0(9) . . ? F15 C14 C13 114.5(8) . . ? F13 C14 C13 111.3(9) . . ? F14 C14 C13 109.4(9) . . ? O12 C15 O11 131.0(8) . . ? O12 C15 C16 115.3(8) . . ? O11 C15 C16 113.7(8) . . ? F17 C16 F18 107.3(10) . . ? F17 C16 F16 107.1(10) . . ? F18 C16 F16 105.4(8) . . ? F17 C16 C15 113.5(8) . . ? F18 C16 C15 112.7(9) . . ? F16 C16 C15 110.4(8) . . ? O14 C17 O13 130.9(9) . . ? O14 C17 C18 115.5(8) . . ? O13 C17 C18 113.5(8) . . ? F21 C18 F19 110.3(10) . . ? F21 C18 F20 105.1(10) . . ? F19 C18 F20 107.1(10) . . ? F21 C18 C17 111.7(9) . . ? F19 C18 C17 113.6(9) . . ? F20 C18 C17 108.6(8) . . ? O16 C19 O15 129.2(9) . . ? O16 C19 C20 117.0(8) . . ? O15 C19 C20 113.8(8) . . ? F23 C20 F24 106.1(10) . . ? F23 C20 F22 107.0(10) . . ? F24 C20 F22 107.0(11) . . ? F23 C20 C19 111.4(10) . . ? F24 C20 C19 111.4(9) . . ? F22 C20 C19 113.5(9) . . ? O18 C21 O17 128.7(8) . . ? O18 C21 C22 116.1(8) . . ? O17 C21 C22 115.1(8) . . ? F25 C22 F26 108.5(12) . . ? F25 C22 F27 105.9(10) . . ? F26 C22 F27 105.3(13) . . ? F25 C22 C21 114.4(8) . . ? F26 C22 C21 110.4(9) . . ? F27 C22 C21 111.9(10) . . ? O20 C23 O19 129.9(8) . . ? O20 C23 C24 115.3(8) . . ? O19 C23 C24 114.7(7) . . ? F29 C24 F28 109.2(10) . . ? F29 C24 F30 107.7(9) . . ? F28 C24 F30 103.5(9) . . ? F29 C24 C23 114.3(8) . . ? F28 C24 C23 111.7(8) . . ? F30 C24 C23 109.8(9) . . ? N1 C25 C26 175.0(11) . . ? C31 C26 C27 119.2(10) . . ? C31 C26 C25 117.8(8) . . ? C27 C26 C25 122.9(10) . . ? C28 C27 C26 120.5(11) . . ? C28 C27 H27 119.8 . . ? C26 C27 H27 119.8 . . ? C29 C28 C27 119.9(11) . . ? C29 C28 H28 120.0 . . ? C27 C28 H28 120.0 . . ? C28 C29 C30 121.3(12) . . ? C28 C29 H29 119.4 . . ? C30 C29 H29 119.4 . . ? C31 C30 C29 119.9(11) . . ? C31 C30 H30 120.0 . . ? C29 C30 H30 120.0 . . ? C30 C31 C26 119.1(9) . . ? C30 C31 C32 121.5(9) . . ? C26 C31 C32 119.2(9) . . ? N2 C32 C31 176.4(10) . . ? N3 C33 C34 179.2(11) . . ? C35 C34 C39 120.8(8) . . ? C35 C34 C33 120.9(9) . . ? C39 C34 C33 118.3(9) . . ? C34 C35 C36 120.0(9) . . ? C34 C35 H35 120.0 . . ? C36 C35 H35 120.0 . . ? C37 C36 C35 120.0(10) . . ? C37 C36 H36 120.0 . . ? C35 C36 H36 120.0 . . ? C36 C37 C38 120.0(9) . . ? C36 C37 H37 120.0 . . ? C38 C37 H37 120.0 . . ? C37 C38 C39 120.6(9) . . ? C37 C38 H38 119.7 . . ? C39 C38 H38 119.7 . . ? C38 C39 C34 118.5(9) . . ? C38 C39 C40 121.0(8) . . ? C34 C39 C40 120.5(8) . . ? N4 C40 C39 179.2(10) . . ? N5 C41 C42 176.1(11) . . ? C43 C42 C47 120.2(9) . . ? C43 C42 C41 121.0(9) . . ? C47 C42 C41 118.8(9) . . ? C42 C43 C44 119.6(9) . . ? C42 C43 H43 120.2 . . ? C44 C43 H43 120.2 . . ? C43 C44 C45 120.4(9) . . ? C43 C44 H44 119.8 . . ? C45 C44 H44 119.8 . . ? C46 C45 C44 119.6(9) . . ? C46 C45 H45 120.2 . . ? C44 C45 H45 120.2 . . ? C45 C46 C47 121.5(9) . . ? C45 C46 H46 119.3 . . ? C47 C46 H46 119.3 . . ? C46 C47 C42 118.7(9) . . ? C46 C47 C48 121.8(9) . . ? C42 C47 C48 119.4(8) . . ? N6 C48 C47 176.4(10) . . ? C25 N1 Ag14 155.5(8) . . ? C32 N2 Ag6 164.4(8) . . ? C33 N3 Ag3 171.5(9) . . ? C40 N4 Ag13 150.8(9) . . ? C41 N5 Ag13 162.3(9) . . ? C48 N6 Ag14 165.2(10) . 2_745 ? C5 O2 Ag11 98.8(7) . . ? C7 O3 Ag7 121.2(6) . . ? C7 O3 Ag11 148.1(6) . . ? Ag7 O3 Ag11 89.1(2) . . ? C7 O4 Ag2 125.4(6) . . ? C9 O5 Ag2 122.8(7) . . ? C9 O6 Ag1 124.6(6) . . ? C11 O7 Ag7 126.4(6) . . ? C11 O8 Ag8 119.6(5) . . ? C11 O8 Ag14 130.3(6) . . ? Ag8 O8 Ag14 98.5(2) . . ? C13 O9 Ag8 121.7(5) . . ? C13 O9 Ag14 134.2(5) . . ? Ag8 O9 Ag14 101.9(2) . . ? C13 O10 Ag1 123.8(5) . 1_655 ? C15 O11 Ag5 125.6(6) . . ? C15 O12 Ag12 123.7(6) . 1_455 ? C17 O13 Ag5 119.7(6) . . ? C17 O14 Ag4 124.6(6) . . ? C19 O15 Ag12 122.9(6) . . ? C19 O16 Ag9 124.4(6) . . ? C21 O17 Ag9 123.9(5) . . ? C21 O18 Ag10 121.8(5) . . ? C21 O18 Ag13 133.7(5) . . ? Ag10 O18 Ag13 104.4(3) . . ? C23 O19 Ag10 121.2(5) . . ? C23 O19 Ag13 133.4(5) . . ? Ag10 O19 Ag13 103.5(2) . . ? C23 O20 Ag4 120.2(6) . 1_655 ? 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 O6 Ag1 Ag2 O5 -5.2(3) . . . . ? C1 Ag1 Ag2 O5 167.5(3) . . . . ? O10 Ag1 Ag2 O5 90.2(3) 1_455 . . . ? C2 Ag1 Ag2 O5 -178.5(3) . . . . ? C3 Ag1 Ag2 O5 -86.4(3) 1_455 . . . ? Ag8 Ag1 Ag2 O5 -18.6(2) 1_455 . . . ? Ag11 Ag1 Ag2 O5 -85.1(2) 1_455 . . . ? Ag5 Ag1 Ag2 O5 177.3(2) . . . . ? O6 Ag1 Ag2 C2 173.4(3) . . . . ? C1 Ag1 Ag2 C2 -14.0(3) . . . . ? O10 Ag1 Ag2 C2 -91.2(3) 1_455 . . . ? C3 Ag1 Ag2 C2 92.2(3) 1_455 . . . ? Ag8 Ag1 Ag2 C2 159.9(2) 1_455 . . . ? Ag11 Ag1 Ag2 C2 93.4(2) 1_455 . . . ? Ag5 Ag1 Ag2 C2 -4.2(2) . . . . ? O6 Ag1 Ag2 O4 -89.1(7) . . . . ? C1 Ag1 Ag2 O4 83.6(7) . . . . ? O10 Ag1 Ag2 O4 6.3(7) 1_455 . . . ? C2 Ag1 Ag2 O4 97.6(7) . . . . ? C3 Ag1 Ag2 O4 -170.3(7) 1_455 . . . ? Ag8 Ag1 Ag2 O4 -102.5(7) 1_455 . . . ? Ag11 Ag1 Ag2 O4 -169.0(7) 1_455 . . . ? Ag5 Ag1 Ag2 O4 93.4(7) . . . . ? O6 Ag1 Ag2 Ag3 153.5(2) . . . . ? C1 Ag1 Ag2 Ag3 -33.8(2) . . . . ? O10 Ag1 Ag2 Ag3 -111.09(18) 1_455 . . . ? C2 Ag1 Ag2 Ag3 -19.9(2) . . . . ? C3 Ag1 Ag2 Ag3 72.3(2) 1_455 . . . ? Ag8 Ag1 Ag2 Ag3 140.06(5) 1_455 . . . ? Ag11 Ag1 Ag2 Ag3 73.55(3) 1_455 . . . ? Ag5 Ag1 Ag2 Ag3 -24.03(4) . . . . ? O6 Ag1 Ag2 Ag7 -142.8(2) . . . . ? C1 Ag1 Ag2 Ag7 29.8(2) . . . . ? O10 Ag1 Ag2 Ag7 -47.41(18) 1_455 . . . ? C2 Ag1 Ag2 Ag7 43.8(2) . . . . ? C3 Ag1 Ag2 Ag7 136.0(2) 1_455 . . . ? Ag8 Ag1 Ag2 Ag7 -156.27(5) 1_455 . . . ? Ag11 Ag1 Ag2 Ag7 137.22(3) 1_455 . . . ? Ag5 Ag1 Ag2 Ag7 39.64(4) . . . . ? O6 Ag1 Ag2 Ag11 80.0(2) . . . 1_455 ? C1 Ag1 Ag2 Ag11 -107.4(2) . . . 1_455 ? O10 Ag1 Ag2 Ag11 175.37(18) 1_455 . . 1_455 ? C2 Ag1 Ag2 Ag11 -93.4(2) . . . 1_455 ? C3 Ag1 Ag2 Ag11 -1.2(2) 1_455 . . 1_455 ? Ag8 Ag1 Ag2 Ag11 66.52(5) 1_455 . . 1_455 ? Ag5 Ag1 Ag2 Ag11 -97.58(3) . . . 1_455 ? O5 Ag2 Ag3 N3 -64.9(6) . . . . ? C2 Ag2 Ag3 N3 169.2(4) . . . . ? O4 Ag2 Ag3 N3 26.5(3) . . . . ? Ag1 Ag2 Ag3 N3 -167.1(3) . . . . ? Ag7 Ag2 Ag3 N3 104.0(3) . . . . ? Ag11 Ag2 Ag3 N3 -110.5(3) 1_455 . . . ? O5 Ag2 Ag3 C2 125.9(6) . . . . ? O4 Ag2 Ag3 C2 -142.7(3) . . . . ? Ag1 Ag2 Ag3 C2 23.7(3) . . . . ? Ag7 Ag2 Ag3 C2 -65.3(3) . . . . ? Ag11 Ag2 Ag3 C2 80.2(3) 1_455 . . . ? O5 Ag2 Ag3 Ag7 -168.9(6) . . . . ? C2 Ag2 Ag3 Ag7 65.3(3) . . . . ? O4 Ag2 Ag3 Ag7 -77.46(18) . . . . ? Ag1 Ag2 Ag3 Ag7 88.94(3) . . . . ? Ag11 Ag2 Ag3 Ag7 145.47(3) 1_455 . . . ? O5 Ag2 Ag3 Ag4 88.1(6) . . . . ? C2 Ag2 Ag3 Ag4 -37.7(3) . . . . ? O4 Ag2 Ag3 Ag4 179.54(18) . . . . ? Ag1 Ag2 Ag3 Ag4 -14.05(3) . . . . ? Ag7 Ag2 Ag3 Ag4 -102.99(3) . . . . ? Ag11 Ag2 Ag3 Ag4 42.48(2) 1_455 . . . ? N3 Ag3 Ag4 O14 -11.0(6) . . . . ? C2 Ag3 Ag4 O14 163.3(5) . . . . ? Ag2 Ag3 Ag4 O14 -158.5(4) . . . . ? Ag7 Ag3 Ag4 O14 142.2(4) . . . . ? N3 Ag3 Ag4 O20 23.7(4) . . . 1_455 ? C2 Ag3 Ag4 O20 -162.1(4) . . . 1_455 ? Ag2 Ag3 Ag4 O20 -123.8(2) . . . 1_455 ? Ag7 Ag3 Ag4 O20 176.9(2) . . . 1_455 ? N3 Ag3 Ag4 C2 -174.2(5) . . . . ? Ag2 Ag3 Ag4 C2 38.2(3) . . . . ? Ag7 Ag3 Ag4 C2 -21.0(3) . . . . ? N3 Ag3 Ag4 C1 -162.0(4) . . . . ? C2 Ag3 Ag4 C1 12.2(3) . . . . ? Ag2 Ag3 Ag4 C1 50.5(2) . . . . ? Ag7 Ag3 Ag4 C1 -8.8(2) . . . . ? N3 Ag3 Ag4 Ag5 -148.6(4) . . . . ? C2 Ag3 Ag4 Ag5 25.6(3) . . . . ? Ag2 Ag3 Ag4 Ag5 63.87(4) . . . . ? Ag7 Ag3 Ag4 Ag5 4.60(4) . . . . ? N3 Ag3 Ag4 Ag10 69.8(4) . . . 1_455 ? C2 Ag3 Ag4 Ag10 -116.0(3) . . . 1_455 ? Ag2 Ag3 Ag4 Ag10 -77.79(3) . . . 1_455 ? Ag7 Ag3 Ag4 Ag10 -137.06(3) . . . 1_455 ? N3 Ag3 Ag4 Ag11 104.5(4) . . . 1_455 ? C2 Ag3 Ag4 Ag11 -81.3(3) . . . 1_455 ? Ag2 Ag3 Ag4 Ag11 -43.04(3) . . . 1_455 ? Ag7 Ag3 Ag4 Ag11 -102.31(3) . . . 1_455 ? O14 Ag4 Ag5 C1 179.5(3) . . . . ? O20 Ag4 Ag5 C1 -61.6(12) 1_455 . . . ? C2 Ag4 Ag5 C1 0.7(3) . . . . ? Ag10 Ag4 Ag5 C1 127.4(2) 1_455 . . . ? Ag3 Ag4 Ag5 C1 -16.9(2) . . . . ? Ag11 Ag4 Ag5 C1 71.5(2) 1_455 . . . ? O14 Ag4 Ag5 O13 4.3(2) . . . . ? O20 Ag4 Ag5 O13 123.3(12) 1_455 . . . ? C2 Ag4 Ag5 O13 -174.5(2) . . . . ? C1 Ag4 Ag5 O13 -175.2(3) . . . . ? Ag10 Ag4 Ag5 O13 -47.76(16) 1_455 . . . ? Ag3 Ag4 Ag5 O13 167.89(16) . . . . ? Ag11 Ag4 Ag5 O13 -103.67(16) 1_455 . . . ? O14 Ag4 Ag5 O11 17(4) . . . . ? O20 Ag4 Ag5 O11 136(4) 1_455 . . . ? C2 Ag4 Ag5 O11 -162(4) . . . . ? C1 Ag4 Ag5 O11 -163(4) . . . . ? Ag10 Ag4 Ag5 O11 -35(4) 1_455 . . . ? Ag3 Ag4 Ag5 O11 -180(100) . . . . ? Ag11 Ag4 Ag5 O11 -91(4) 1_455 . . . ? O14 Ag4 Ag5 Ag6 -168.68(18) . . . . ? O20 Ag4 Ag5 Ag6 -49.8(11) 1_455 . . . ? C2 Ag4 Ag5 Ag6 12.51(19) . . . . ? C1 Ag4 Ag5 Ag6 11.8(2) . . . . ? Ag10 Ag4 Ag5 Ag6 139.21(3) 1_455 . . . ? Ag3 Ag4 Ag5 Ag6 -5.14(4) . . . . ? Ag11 Ag4 Ag5 Ag6 83.30(3) 1_455 . . . ? O14 Ag4 Ag5 Ag12 60.23(18) . . . 1_455 ? O20 Ag4 Ag5 Ag12 179(52) 1_455 . . 1_455 ? C2 Ag4 Ag5 Ag12 -118.58(19) . . . 1_455 ? C1 Ag4 Ag5 Ag12 -119.3(2) . . . 1_455 ? Ag10 Ag4 Ag5 Ag12 8.13(4) 1_455 . . 1_455 ? Ag3 Ag4 Ag5 Ag12 -136.22(3) . . . 1_455 ? Ag11 Ag4 Ag5 Ag12 -47.79(3) 1_455 . . 1_455 ? O14 Ag4 Ag5 Ag1 129.39(18) . . . . ? O20 Ag4 Ag5 Ag1 -111.7(11) 1_455 . . . ? C2 Ag4 Ag5 Ag1 -49.43(19) . . . . ? C1 Ag4 Ag5 Ag1 -50.1(2) . . . . ? Ag10 Ag4 Ag5 Ag1 77.28(3) 1_455 . . . ? Ag3 Ag4 Ag5 Ag1 -67.07(3) . . . . ? Ag11 Ag4 Ag5 Ag1 21.37(3) 1_455 . . . ? O6 Ag1 Ag5 C1 174.9(8) . . . . ? O10 Ag1 Ag5 C1 101.7(3) 1_455 . . . ? C2 Ag1 Ag5 C1 -16.7(3) . . . . ? C3 Ag1 Ag5 C1 -143.8(3) 1_455 . . . ? Ag2 Ag1 Ag5 C1 -13.4(3) . . . . ? Ag8 Ag1 Ag5 C1 175.8(3) 1_455 . . . ? Ag11 Ag1 Ag5 C1 -84.9(3) 1_455 . . . ? O6 Ag1 Ag5 O13 -53.7(7) . . . . ? C1 Ag1 Ag5 O13 131.4(3) . . . . ? O10 Ag1 Ag5 O13 -127.0(2) 1_455 . . . ? C2 Ag1 Ag5 O13 114.7(3) . . . . ? C3 Ag1 Ag5 O13 -12.5(2) 1_455 . . . ? Ag2 Ag1 Ag5 O13 118.00(18) . . . . ? Ag8 Ag1 Ag5 O13 -52.82(18) 1_455 . . . ? Ag11 Ag1 Ag5 O13 46.43(18) 1_455 . . . ? O6 Ag1 Ag5 O11 54.0(7) . . . . ? C1 Ag1 Ag5 O11 -120.9(4) . . . . ? O10 Ag1 Ag5 O11 -19.3(3) 1_455 . . . ? C2 Ag1 Ag5 O11 -137.6(3) . . . . ? C3 Ag1 Ag5 O11 95.3(3) 1_455 . . . ? Ag2 Ag1 Ag5 O11 -134.3(2) . . . . ? Ag8 Ag1 Ag5 O11 54.9(2) 1_455 . . . ? Ag11 Ag1 Ag5 O11 154.2(2) 1_455 . . . ? O6 Ag1 Ag5 Ag6 122.8(7) . . . . ? C1 Ag1 Ag5 Ag6 -52.1(3) . . . . ? O10 Ag1 Ag5 Ag6 49.53(17) 1_455 . . . ? C2 Ag1 Ag5 Ag6 -68.78(18) . . . . ? C3 Ag1 Ag5 Ag6 164.03(17) 1_455 . . . ? Ag2 Ag1 Ag5 Ag6 -65.48(3) . . . . ? Ag8 Ag1 Ag5 Ag6 123.70(3) 1_455 . . . ? Ag11 Ag1 Ag5 Ag6 -137.05(3) 1_455 . . . ? O6 Ag1 Ag5 Ag4 -122.5(7) . . . . ? C1 Ag1 Ag5 Ag4 62.6(3) . . . . ? O10 Ag1 Ag5 Ag4 164.27(17) 1_455 . . . ? C2 Ag1 Ag5 Ag4 45.96(18) . . . . ? C3 Ag1 Ag5 Ag4 -81.23(17) 1_455 . . . ? Ag2 Ag1 Ag5 Ag4 49.26(3) . . . . ? Ag8 Ag1 Ag5 Ag4 -121.56(3) 1_455 . . . ? Ag11 Ag1 Ag5 Ag4 -22.31(3) 1_455 . . . ? O6 Ag1 Ag5 Ag12 -15.3(7) . . . 1_455 ? C1 Ag1 Ag5 Ag12 169.7(3) . . . 1_455 ? O10 Ag1 Ag5 Ag12 -88.61(17) 1_455 . . 1_455 ? C2 Ag1 Ag5 Ag12 153.08(18) . . . 1_455 ? C3 Ag1 Ag5 Ag12 25.89(17) 1_455 . . 1_455 ? Ag2 Ag1 Ag5 Ag12 156.38(3) . . . 1_455 ? Ag8 Ag1 Ag5 Ag12 -14.44(2) 1_455 . . 1_455 ? Ag11 Ag1 Ag5 Ag12 84.81(3) 1_455 . . 1_455 ? C1 Ag5 Ag6 N2 167.0(3) . . . . ? O13 Ag5 Ag6 N2 17.9(10) . . . . ? O11 Ag5 Ag6 N2 -26.3(3) . . . . ? Ag4 Ag5 Ag6 N2 154.0(2) . . . . ? Ag12 Ag5 Ag6 N2 -92.0(2) 1_455 . . . ? Ag1 Ag5 Ag6 N2 -144.3(2) . . . . ? O13 Ag5 Ag6 C1 -149.1(9) . . . . ? O11 Ag5 Ag6 C1 166.7(3) . . . . ? Ag4 Ag5 Ag6 C1 -13.0(3) . . . . ? Ag12 Ag5 Ag6 C1 101.0(3) 1_455 . . . ? Ag1 Ag5 Ag6 C1 48.7(3) . . . . ? C1 Ag5 Ag6 Ag8 67.2(3) . . . . ? O13 Ag5 Ag6 Ag8 -81.8(9) . . . . ? O11 Ag5 Ag6 Ag8 -126.1(2) . . . . ? Ag4 Ag5 Ag6 Ag8 54.22(8) . . . . ? Ag12 Ag5 Ag6 Ag8 168.19(5) 1_455 . . . ? Ag1 Ag5 Ag6 Ag8 115.90(7) . . . . ? C1 Ag5 Ag6 Ag9 62.0(3) . . . . ? O13 Ag5 Ag6 Ag9 -87.1(9) . . . . ? O11 Ag5 Ag6 Ag9 -131.4(2) . . . . ? Ag4 Ag5 Ag6 Ag9 48.97(3) . . . . ? Ag12 Ag5 Ag6 Ag9 162.94(3) 1_455 . . . ? Ag1 Ag5 Ag6 Ag9 110.65(2) . . . . ? C1 Ag5 Ag6 Ag7 16.3(3) . . . . ? O13 Ag5 Ag6 Ag7 -132.8(9) . . . . ? O11 Ag5 Ag6 Ag7 -177.1(2) . . . . ? Ag4 Ag5 Ag6 Ag7 3.28(4) . . . . ? Ag12 Ag5 Ag6 Ag7 117.25(3) 1_455 . . . ? Ag1 Ag5 Ag6 Ag7 64.96(3) . . . . ? O5 Ag2 Ag7 O3 97.8(4) . . . . ? C2 Ag2 Ag7 O3 -130.7(3) . . . . ? O4 Ag2 Ag7 O3 14.8(3) . . . . ? Ag3 Ag2 Ag7 O3 -76.1(2) . . . . ? Ag1 Ag2 Ag7 O3 -177.9(2) . . . . ? Ag11 Ag2 Ag7 O3 -125.5(2) 1_455 . . . ? O5 Ag2 Ag7 O7 -11.6(4) . . . . ? C2 Ag2 Ag7 O7 119.9(4) . . . . ? O4 Ag2 Ag7 O7 -94.7(3) . . . . ? Ag3 Ag2 Ag7 O7 174.5(2) . . . . ? Ag1 Ag2 Ag7 O7 72.7(2) . . . . ? Ag11 Ag2 Ag7 O7 125.0(2) 1_455 . . . ? O5 Ag2 Ag7 C2 -131.5(4) . . . . ? O4 Ag2 Ag7 C2 145.4(3) . . . . ? Ag3 Ag2 Ag7 C2 54.6(2) . . . . ? Ag1 Ag2 Ag7 C2 -47.2(2) . . . . ? Ag11 Ag2 Ag7 C2 5.1(2) 1_455 . . . ? O5 Ag2 Ag7 C3 -135.5(6) . . . . ? C2 Ag2 Ag7 C3 -4.0(6) . . . . ? O4 Ag2 Ag7 C3 141.4(5) . . . . ? Ag3 Ag2 Ag7 C3 50.5(5) . . . . ? Ag1 Ag2 Ag7 C3 -51.2(5) . . . . ? Ag11 Ag2 Ag7 C3 1.1(5) 1_455 . . . ? O5 Ag2 Ag7 C4 171.1(4) . . . . ? C2 Ag2 Ag7 C4 -57.4(4) . . . . ? O4 Ag2 Ag7 C4 88.0(4) . . . . ? Ag3 Ag2 Ag7 C4 -2.8(3) . . . . ? Ag1 Ag2 Ag7 C4 -104.6(3) . . . . ? Ag11 Ag2 Ag7 C4 -52.3(3) 1_455 . . . ? O5 Ag2 Ag7 Ag8 -34.5(3) . . . . ? C2 Ag2 Ag7 Ag8 97.0(3) . . . . ? O4 Ag2 Ag7 Ag8 -117.58(19) . . . . ? Ag3 Ag2 Ag7 Ag8 151.54(5) . . . . ? Ag1 Ag2 Ag7 Ag8 49.78(6) . . . . ? Ag11 Ag2 Ag7 Ag8 102.12(6) 1_455 . . . ? O5 Ag2 Ag7 Ag9 -139.1(3) . . . . ? C2 Ag2 Ag7 Ag9 -7.5(2) . . . . ? O4 Ag2 Ag7 Ag9 137.89(18) . . . . ? Ag3 Ag2 Ag7 Ag9 47.02(3) . . . . ? Ag1 Ag2 Ag7 Ag9 -54.74(3) . . . . ? Ag11 Ag2 Ag7 Ag9 -2.40(5) 1_455 . . . ? O5 Ag2 Ag7 Ag3 173.9(3) . . . . ? C2 Ag2 Ag7 Ag3 -54.6(2) . . . . ? O4 Ag2 Ag7 Ag3 90.87(18) . . . . ? Ag1 Ag2 Ag7 Ag3 -101.76(3) . . . . ? Ag11 Ag2 Ag7 Ag3 -49.42(4) 1_455 . . . ? O5 Ag2 Ag7 Ag6 -79.7(3) . . . . ? C2 Ag2 Ag7 Ag6 51.9(2) . . . . ? O4 Ag2 Ag7 Ag6 -162.71(18) . . . . ? Ag3 Ag2 Ag7 Ag6 106.42(3) . . . . ? Ag1 Ag2 Ag7 Ag6 4.66(3) . . . . ? Ag11 Ag2 Ag7 Ag6 56.99(4) 1_455 . . . ? N3 Ag3 Ag7 O3 -27.7(3) . . . . ? C2 Ag3 Ag7 O3 152.4(3) . . . . ? Ag2 Ag3 Ag7 O3 91.05(19) . . . . ? Ag4 Ag3 Ag7 O3 172.43(19) . . . . ? N3 Ag3 Ag7 O7 -124.6(4) . . . . ? C2 Ag3 Ag7 O7 55.5(4) . . . . ? Ag2 Ag3 Ag7 O7 -5.8(3) . . . . ? Ag4 Ag3 Ag7 O7 75.6(3) . . . . ? N3 Ag3 Ag7 C2 179.9(4) . . . . ? Ag2 Ag3 Ag7 C2 -61.3(3) . . . . ? Ag4 Ag3 Ag7 C2 20.0(3) . . . . ? N3 Ag3 Ag7 C3 77.5(3) . . . . ? C2 Ag3 Ag7 C3 -102.3(3) . . . . ? Ag2 Ag3 Ag7 C3 -163.7(2) . . . . ? Ag4 Ag3 Ag7 C3 -82.3(2) . . . . ? N3 Ag3 Ag7 C4 59.6(3) . . . . ? C2 Ag3 Ag7 C4 -120.3(3) . . . . ? Ag2 Ag3 Ag7 C4 178.35(18) . . . . ? Ag4 Ag3 Ag7 C4 -100.26(18) . . . . ? N3 Ag3 Ag7 Ag8 103.1(3) . . . . ? C2 Ag3 Ag7 Ag8 -76.8(3) . . . . ? Ag2 Ag3 Ag7 Ag8 -138.17(7) . . . . ? Ag4 Ag3 Ag7 Ag8 -56.79(8) . . . . ? N3 Ag3 Ag7 Ag2 -118.8(3) . . . . ? C2 Ag3 Ag7 Ag2 61.3(3) . . . . ? Ag4 Ag3 Ag7 Ag2 81.39(3) . . . . ? N3 Ag3 Ag7 Ag9 107.8(3) . . . . ? C2 Ag3 Ag7 Ag9 -72.1(3) . . . . ? Ag2 Ag3 Ag7 Ag9 -133.47(3) . . . . ? Ag4 Ag3 Ag7 Ag9 -52.08(3) . . . . ? N3 Ag3 Ag7 Ag6 157.8(3) . . . . ? C2 Ag3 Ag7 Ag6 -22.1(3) . . . . ? Ag2 Ag3 Ag7 Ag6 -83.47(3) . . . . ? Ag4 Ag3 Ag7 Ag6 -2.08(3) . . . . ? N2 Ag6 Ag7 O3 130(2) . . . . ? C1 Ag6 Ag7 O3 -70(2) . . . . ? Ag5 Ag6 Ag7 O3 -85(2) . . . . ? Ag8 Ag6 Ag7 O3 121(2) . . . . ? Ag9 Ag6 Ag7 O3 -140(2) . . . . ? N2 Ag6 Ag7 O7 96.8(3) . . . . ? C1 Ag6 Ag7 O7 -103.9(3) . . . . ? Ag5 Ag6 Ag7 O7 -118.36(19) . . . . ? Ag8 Ag6 Ag7 O7 87.32(19) . . . . ? Ag9 Ag6 Ag7 O7 -173.89(19) . . . . ? N2 Ag6 Ag7 C2 -161.9(3) . . . . ? C1 Ag6 Ag7 C2 -2.7(3) . . . . ? Ag5 Ag6 Ag7 C2 -17.1(2) . . . . ? Ag8 Ag6 Ag7 C2 -171.4(2) . . . . ? Ag9 Ag6 Ag7 C2 -72.6(2) . . . . ? N2 Ag6 Ag7 C3 -38.5(3) . . . . ? C1 Ag6 Ag7 C3 120.8(3) . . . . ? Ag5 Ag6 Ag7 C3 106.39(17) . . . . ? Ag8 Ag6 Ag7 C3 -47.93(17) . . . . ? Ag9 Ag6 Ag7 C3 50.85(17) . . . . ? N2 Ag6 Ag7 C4 -55.2(3) . . . . ? C1 Ag6 Ag7 C4 104.1(3) . . . . ? Ag5 Ag6 Ag7 C4 89.61(17) . . . . ? Ag8 Ag6 Ag7 C4 -64.71(17) . . . . ? Ag9 Ag6 Ag7 C4 34.08(17) . . . . ? N2 Ag6 Ag7 Ag8 9.5(3) . . . . ? C1 Ag6 Ag7 Ag8 168.8(2) . . . . ? Ag5 Ag6 Ag7 Ag8 154.32(3) . . . . ? Ag9 Ag6 Ag7 Ag8 98.78(3) . . . . ? N2 Ag6 Ag7 Ag2 158.5(3) . . . . ? C1 Ag6 Ag7 Ag2 -42.2(2) . . . . ? Ag5 Ag6 Ag7 Ag2 -56.62(3) . . . . ? Ag8 Ag6 Ag7 Ag2 149.06(3) . . . . ? Ag9 Ag6 Ag7 Ag2 -112.16(3) . . . . ? N2 Ag6 Ag7 Ag9 -89.3(3) . . . . ? C1 Ag6 Ag7 Ag9 70.0(2) . . . . ? Ag5 Ag6 Ag7 Ag9 55.54(3) . . . . ? Ag8 Ag6 Ag7 Ag9 -98.78(3) . . . . ? N2 Ag6 Ag7 Ag3 -145.5(3) . . . . ? C1 Ag6 Ag7 Ag3 13.8(2) . . . . ? Ag5 Ag6 Ag7 Ag3 -0.65(4) . . . . ? Ag8 Ag6 Ag7 Ag3 -154.97(3) . . . . ? Ag9 Ag6 Ag7 Ag3 -56.18(3) . . . . ? O3 Ag7 Ag8 C3 87.1(3) . . . . ? O7 Ag7 Ag8 C3 -173.5(3) . . . . ? C2 Ag7 Ag8 C3 -88.7(3) . . . . ? C4 Ag7 Ag8 C3 12.2(3) . . . . ? Ag2 Ag7 Ag8 C3 -152.5(3) . . . . ? Ag9 Ag7 Ag8 C3 -38.3(3) . . . . ? Ag3 Ag7 Ag8 C3 -33.9(3) . . . . ? Ag6 Ag7 Ag8 C3 -98.3(3) . . . . ? O3 Ag7 Ag8 O9 -46.0(5) . . . . ? O7 Ag7 Ag8 O9 53.5(5) . . . . ? C2 Ag7 Ag8 O9 138.3(5) . . . . ? C3 Ag7 Ag8 O9 -133.0(5) . . . . ? C4 Ag7 Ag8 O9 -120.8(5) . . . . ? Ag2 Ag7 Ag8 O9 74.5(5) . . . . ? Ag9 Ag7 Ag8 O9 -171.4(4) . . . . ? Ag3 Ag7 Ag8 O9 -166.9(4) . . . . ? Ag6 Ag7 Ag8 O9 128.7(4) . . . . ? O3 Ag7 Ag8 O8 -109.6(3) . . . . ? O7 Ag7 Ag8 O8 -10.2(3) . . . . ? C2 Ag7 Ag8 O8 74.6(3) . . . . ? C3 Ag7 Ag8 O8 163.3(3) . . . . ? C4 Ag7 Ag8 O8 175.5(3) . . . . ? Ag2 Ag7 Ag8 O8 10.8(2) . . . . ? Ag9 Ag7 Ag8 O8 124.99(19) . . . . ? Ag3 Ag7 Ag8 O8 129.5(2) . . . . ? Ag6 Ag7 Ag8 O8 65.04(19) . . . . ? O3 Ag7 Ag8 Ag12 115.8(2) . . . . ? O7 Ag7 Ag8 Ag12 -144.8(2) . . . . ? C2 Ag7 Ag8 Ag12 -60.0(2) . . . . ? C3 Ag7 Ag8 Ag12 28.7(3) . . . . ? C4 Ag7 Ag8 Ag12 40.89(18) . . . . ? Ag2 Ag7 Ag8 Ag12 -123.82(5) . . . . ? Ag9 Ag7 Ag8 Ag12 -9.65(3) . . . . ? Ag3 Ag7 Ag8 Ag12 -5.18(8) . . . . ? Ag6 Ag7 Ag8 Ag12 -69.61(3) . . . . ? O3 Ag7 Ag8 Ag1 33.6(2) . . . 1_655 ? O7 Ag7 Ag8 Ag1 133.0(2) . . . 1_655 ? C2 Ag7 Ag8 Ag1 -142.2(2) . . . 1_655 ? C3 Ag7 Ag8 Ag1 -53.5(3) . . . 1_655 ? C4 Ag7 Ag8 Ag1 -41.28(18) . . . 1_655 ? Ag2 Ag7 Ag8 Ag1 154.01(5) . . . 1_655 ? Ag9 Ag7 Ag8 Ag1 -91.82(3) . . . 1_655 ? Ag3 Ag7 Ag8 Ag1 -87.35(7) . . . 1_655 ? Ag6 Ag7 Ag8 Ag1 -151.78(3) . . . 1_655 ? O3 Ag7 Ag8 Ag6 -174.6(2) . . . . ? O7 Ag7 Ag8 Ag6 -75.2(2) . . . . ? C2 Ag7 Ag8 Ag6 9.6(2) . . . . ? C3 Ag7 Ag8 Ag6 98.3(3) . . . . ? C4 Ag7 Ag8 Ag6 110.49(18) . . . . ? Ag2 Ag7 Ag8 Ag6 -54.21(5) . . . . ? Ag9 Ag7 Ag8 Ag6 59.95(2) . . . . ? Ag3 Ag7 Ag8 Ag6 64.43(7) . . . . ? N2 Ag6 Ag8 C3 -113.6(3) . . . . ? C1 Ag6 Ag8 C3 47.8(3) . . . . ? Ag5 Ag6 Ag8 C3 -5.1(2) . . . . ? Ag9 Ag6 Ag8 C3 0.1(2) . . . . ? Ag7 Ag6 Ag8 C3 58.7(2) . . . . ? N2 Ag6 Ag8 O9 29.2(3) . . . . ? C1 Ag6 Ag8 O9 -169.5(3) . . . . ? Ag5 Ag6 Ag8 O9 137.7(2) . . . . ? Ag9 Ag6 Ag8 O9 142.9(2) . . . . ? Ag7 Ag6 Ag8 O9 -158.5(2) . . . . ? N2 Ag6 Ag8 O8 91.7(3) . . . . ? C1 Ag6 Ag8 O8 -106.9(3) . . . . ? Ag5 Ag6 Ag8 O8 -159.76(19) . . . . ? Ag9 Ag6 Ag8 O8 -154.54(18) . . . . ? Ag7 Ag6 Ag8 O8 -95.99(18) . . . . ? N2 Ag6 Ag8 Ag12 -63.8(2) . . . . ? C1 Ag6 Ag8 Ag12 97.5(2) . . . . ? Ag5 Ag6 Ag8 Ag12 44.68(7) . . . . ? Ag9 Ag6 Ag8 Ag12 49.90(2) . . . . ? Ag7 Ag6 Ag8 Ag12 108.45(3) . . . . ? N2 Ag6 Ag8 Ag7 -172.3(2) . . . . ? C1 Ag6 Ag8 Ag7 -10.9(2) . . . . ? Ag5 Ag6 Ag8 Ag7 -63.77(7) . . . . ? Ag9 Ag6 Ag8 Ag7 -58.55(2) . . . . ? N2 Ag6 Ag8 Ag1 -117.2(2) . . . 1_655 ? C1 Ag6 Ag8 Ag1 44.2(2) . . . 1_655 ? Ag5 Ag6 Ag8 Ag1 -8.68(10) . . . 1_655 ? Ag9 Ag6 Ag8 Ag1 -3.45(5) . . . 1_655 ? Ag7 Ag6 Ag8 Ag1 55.09(5) . . . 1_655 ? O3 Ag7 Ag9 O16 169.6(3) . . . . ? O7 Ag7 Ag9 O16 1.5(3) . . . . ? C2 Ag7 Ag9 O16 69.0(3) . . . . ? C3 Ag7 Ag9 O16 -103.2(3) . . . . ? C4 Ag7 Ag9 O16 -140.2(3) . . . . ? Ag8 Ag7 Ag9 O16 -66.7(2) . . . . ? Ag2 Ag7 Ag9 O16 75.2(2) . . . . ? Ag3 Ag7 Ag9 O16 115.5(2) . . . . ? Ag6 Ag7 Ag9 O16 -6.3(2) . . . . ? O3 Ag7 Ag9 O17 58.9(3) . . . . ? O7 Ag7 Ag9 O17 -109.2(3) . . . . ? C2 Ag7 Ag9 O17 -41.7(3) . . . . ? C3 Ag7 Ag9 O17 146.1(3) . . . . ? C4 Ag7 Ag9 O17 109.1(3) . . . . ? Ag8 Ag7 Ag9 O17 -177.4(2) . . . . ? Ag2 Ag7 Ag9 O17 -35.5(2) . . . . ? Ag3 Ag7 Ag9 O17 4.8(2) . . . . ? Ag6 Ag7 Ag9 O17 -117.0(2) . . . . ? O3 Ag7 Ag9 C3 -87.2(3) . . . . ? O7 Ag7 Ag9 C3 104.7(3) . . . . ? C2 Ag7 Ag9 C3 172.2(3) . . . . ? C4 Ag7 Ag9 C3 -37.0(3) . . . . ? Ag8 Ag7 Ag9 C3 36.6(2) . . . . ? Ag2 Ag7 Ag9 C3 178.4(2) . . . . ? Ag3 Ag7 Ag9 C3 -141.3(2) . . . . ? Ag6 Ag7 Ag9 C3 96.9(2) . . . . ? O3 Ag7 Ag9 C4 -50.2(3) . . . . ? O7 Ag7 Ag9 C4 141.7(3) . . . . ? C2 Ag7 Ag9 C4 -150.8(3) . . . . ? C3 Ag7 Ag9 C4 37.0(3) . . . . ? Ag8 Ag7 Ag9 C4 73.5(2) . . . . ? Ag2 Ag7 Ag9 C4 -144.6(2) . . . . ? Ag3 Ag7 Ag9 C4 -104.3(2) . . . . ? Ag6 Ag7 Ag9 C4 133.9(2) . . . . ? O3 Ag7 Ag9 Ag10 -15.7(2) . . . . ? O7 Ag7 Ag9 Ag10 176.2(2) . . . . ? C2 Ag7 Ag9 Ag10 -116.3(2) . . . . ? C3 Ag7 Ag9 Ag10 71.5(2) . . . . ? C4 Ag7 Ag9 Ag10 34.5(2) . . . . ? Ag8 Ag7 Ag9 Ag10 108.04(3) . . . . ? Ag2 Ag7 Ag9 Ag10 -110.10(3) . . . . ? Ag3 Ag7 Ag9 Ag10 -69.81(2) . . . . ? Ag6 Ag7 Ag9 Ag10 168.38(3) . . . . ? O3 Ag7 Ag9 Ag12 -114.9(2) . . . . ? O7 Ag7 Ag9 Ag12 77.0(2) . . . . ? C2 Ag7 Ag9 Ag12 144.5(2) . . . . ? C3 Ag7 Ag9 Ag12 -27.7(2) . . . . ? C4 Ag7 Ag9 Ag12 -64.7(2) . . . . ? Ag8 Ag7 Ag9 Ag12 8.84(2) . . . . ? Ag2 Ag7 Ag9 Ag12 150.71(3) . . . . ? Ag3 Ag7 Ag9 Ag12 -169.01(3) . . . . ? Ag6 Ag7 Ag9 Ag12 69.19(2) . . . . ? O3 Ag7 Ag9 Ag6 175.9(2) . . . . ? O7 Ag7 Ag9 Ag6 7.8(2) . . . . ? C2 Ag7 Ag9 Ag6 75.3(2) . . . . ? C3 Ag7 Ag9 Ag6 -96.9(2) . . . . ? C4 Ag7 Ag9 Ag6 -133.9(2) . . . . ? Ag8 Ag7 Ag9 Ag6 -60.34(2) . . . . ? Ag2 Ag7 Ag9 Ag6 81.52(3) . . . . ? Ag3 Ag7 Ag9 Ag6 121.80(3) . . . . ? N2 Ag6 Ag9 O16 -61.7(3) . . . . ? C1 Ag6 Ag9 O16 100.4(3) . . . . ? Ag5 Ag6 Ag9 O16 46.85(17) . . . . ? Ag8 Ag6 Ag9 O16 -130.75(17) . . . . ? Ag7 Ag6 Ag9 O16 174.88(17) . . . . ? N2 Ag6 Ag9 O17 -128.8(4) . . . . ? C1 Ag6 Ag9 O17 33.3(4) . . . . ? Ag5 Ag6 Ag9 O17 -20.3(3) . . . . ? Ag8 Ag6 Ag9 O17 162.2(3) . . . . ? Ag7 Ag6 Ag9 O17 107.8(3) . . . . ? N2 Ag6 Ag9 C3 69.0(3) . . . . ? C1 Ag6 Ag9 C3 -128.9(3) . . . . ? Ag5 Ag6 Ag9 C3 177.5(2) . . . . ? Ag8 Ag6 Ag9 C3 -0.1(2) . . . . ? Ag7 Ag6 Ag9 C3 -54.5(2) . . . . ? N2 Ag6 Ag9 C4 87.1(3) . . . . ? C1 Ag6 Ag9 C4 -110.8(3) . . . . ? Ag5 Ag6 Ag9 C4 -164.4(2) . . . . ? Ag8 Ag6 Ag9 C4 18.0(2) . . . . ? Ag7 Ag6 Ag9 C4 -36.4(2) . . . . ? N2 Ag6 Ag9 Ag10 102.0(2) . . . . ? C1 Ag6 Ag9 Ag10 -95.9(3) . . . . ? Ag5 Ag6 Ag9 Ag10 -149.50(5) . . . . ? Ag8 Ag6 Ag9 Ag10 32.91(5) . . . . ? Ag7 Ag6 Ag9 Ag10 -21.47(5) . . . . ? N2 Ag6 Ag9 Ag12 22.4(2) . . . . ? C1 Ag6 Ag9 Ag12 -175.5(3) . . . . ? Ag5 Ag6 Ag9 Ag12 130.91(3) . . . . ? Ag8 Ag6 Ag9 Ag12 -46.68(2) . . . . ? Ag7 Ag6 Ag9 Ag12 -101.06(2) . . . . ? N2 Ag6 Ag9 Ag7 123.5(2) . . . . ? C1 Ag6 Ag9 Ag7 -74.4(3) . . . . ? Ag5 Ag6 Ag9 Ag7 -128.03(3) . . . . ? Ag8 Ag6 Ag9 Ag7 54.38(2) . . . . ? O16 Ag9 Ag10 C4 133.9(4) . . . . ? O17 Ag9 Ag10 C4 -160.4(3) . . . . ? C3 Ag9 Ag10 C4 13.5(3) . . . . ? Ag12 Ag9 Ag10 C4 51.0(3) . . . . ? Ag7 Ag9 Ag10 C4 -39.5(3) . . . . ? Ag6 Ag9 Ag10 C4 -20.6(3) . . . . ? O16 Ag9 Ag10 O19 -31.8(6) . . . . ? O17 Ag9 Ag10 O19 33.8(6) . . . . ? C3 Ag9 Ag10 O19 -152.3(6) . . . . ? C4 Ag9 Ag10 O19 -165.8(6) . . . . ? Ag12 Ag9 Ag10 O19 -114.7(5) . . . . ? Ag7 Ag9 Ag10 O19 154.7(5) . . . . ? Ag6 Ag9 Ag10 O19 173.7(5) . . . . ? O16 Ag9 Ag10 O18 -51.6(3) . . . . ? O17 Ag9 Ag10 O18 14.0(3) . . . . ? C3 Ag9 Ag10 O18 -172.1(3) . . . . ? C4 Ag9 Ag10 O18 174.4(3) . . . . ? Ag12 Ag9 Ag10 O18 -134.5(2) . . . . ? Ag7 Ag9 Ag10 O18 134.9(2) . . . . ? Ag6 Ag9 Ag10 O18 153.9(2) . . . . ? O16 Ag9 Ag10 Ag11 153.6(3) . . . . ? O17 Ag9 Ag10 Ag11 -140.7(2) . . . . ? C3 Ag9 Ag10 Ag11 33.2(2) . . . . ? C4 Ag9 Ag10 Ag11 19.7(3) . . . . ? Ag12 Ag9 Ag10 Ag11 70.72(3) . . . . ? Ag7 Ag9 Ag10 Ag11 -19.83(3) . . . . ? Ag6 Ag9 Ag10 Ag11 -0.88(6) . . . . ? O16 Ag9 Ag10 Ag4 82.9(3) . . . 1_655 ? O17 Ag9 Ag10 Ag4 148.5(2) . . . 1_655 ? C3 Ag9 Ag10 Ag4 -37.6(2) . . . 1_655 ? C4 Ag9 Ag10 Ag4 -51.1(3) . . . 1_655 ? Ag12 Ag9 Ag10 Ag4 -0.01(4) . . . 1_655 ? Ag7 Ag9 Ag10 Ag4 -90.56(3) . . . 1_655 ? Ag6 Ag9 Ag10 Ag4 -71.62(6) . . . 1_655 ? O19 Ag10 Ag11 C4 161.0(3) . . . . ? O18 Ag10 Ag11 C4 -111.3(5) . . . . ? Ag9 Ag10 Ag11 C4 -20.9(3) . . . . ? Ag4 Ag10 Ag11 C4 87.9(3) 1_655 . . . ? C4 Ag10 Ag11 O2 -159.7(4) . . . . ? O19 Ag10 Ag11 O2 1.3(3) . . . . ? O18 Ag10 Ag11 O2 89.0(5) . . . . ? Ag9 Ag10 Ag11 O2 179.4(3) . . . . ? Ag4 Ag10 Ag11 O2 -71.8(3) 1_655 . . . ? C4 Ag10 Ag11 O3 72.9(3) . . . . ? O19 Ag10 Ag11 O3 -126.1(3) . . . . ? O18 Ag10 Ag11 O3 -38.4(4) . . . . ? Ag9 Ag10 Ag11 O3 52.00(18) . . . . ? Ag4 Ag10 Ag11 O3 160.86(18) 1_655 . . . ? C4 Ag10 Ag11 Ag1 -37.9(3) . . . 1_655 ? O19 Ag10 Ag11 Ag1 123.08(18) . . . 1_655 ? O18 Ag10 Ag11 Ag1 -149.2(4) . . . 1_655 ? Ag9 Ag10 Ag11 Ag1 -58.85(3) . . . 1_655 ? Ag4 Ag10 Ag11 Ag1 50.00(3) 1_655 . . 1_655 ? C4 Ag10 Ag11 Ag4 -87.9(3) . . . 1_655 ? O19 Ag10 Ag11 Ag4 73.07(18) . . . 1_655 ? O18 Ag10 Ag11 Ag4 160.8(4) . . . 1_655 ? Ag9 Ag10 Ag11 Ag4 -108.85(3) . . . 1_655 ? C4 Ag10 Ag11 Ag2 -90.0(3) . . . 1_655 ? O19 Ag10 Ag11 Ag2 71.05(19) . . . 1_655 ? O18 Ag10 Ag11 Ag2 158.8(4) . . . 1_655 ? Ag9 Ag10 Ag11 Ag2 -110.87(4) . . . 1_655 ? Ag4 Ag10 Ag11 Ag2 -2.02(4) 1_655 . . 1_655 ? O9 Ag8 Ag12 C3 140.3(3) . . . . ? O8 Ag8 Ag12 C3 -126.4(3) . . . . ? Ag7 Ag8 Ag12 C3 -32.8(3) . . . . ? Ag1 Ag8 Ag12 C3 57.7(3) 1_655 . . . ? Ag6 Ag8 Ag12 C3 -94.5(3) . . . . ? C3 Ag8 Ag12 O12 -156.9(3) . . . 1_655 ? O9 Ag8 Ag12 O12 -16.5(3) . . . 1_655 ? O8 Ag8 Ag12 O12 76.7(3) . . . 1_655 ? Ag7 Ag8 Ag12 O12 170.4(2) . . . 1_655 ? Ag1 Ag8 Ag12 O12 -99.2(2) 1_655 . . 1_655 ? Ag6 Ag8 Ag12 O12 108.6(2) . . . 1_655 ? C3 Ag8 Ag12 O15 111.9(4) . . . . ? O9 Ag8 Ag12 O15 -107.8(3) . . . . ? O8 Ag8 Ag12 O15 -14.6(3) . . . . ? Ag7 Ag8 Ag12 O15 79.1(3) . . . . ? Ag1 Ag8 Ag12 O15 169.5(3) 1_655 . . . ? Ag6 Ag8 Ag12 O15 17.4(3) . . . . ? C3 Ag8 Ag12 Ag9 42.6(3) . . . . ? O9 Ag8 Ag12 Ag9 -177.11(18) . . . . ? O8 Ag8 Ag12 Ag9 -83.9(2) . . . . ? Ag7 Ag8 Ag12 Ag9 9.79(3) . . . . ? Ag1 Ag8 Ag12 Ag9 100.22(2) 1_655 . . . ? Ag6 Ag8 Ag12 Ag9 -51.94(2) . . . . ? C3 Ag8 Ag12 Ag5 -73.8(3) . . . 1_655 ? O9 Ag8 Ag12 Ag5 66.53(18) . . . 1_655 ? O8 Ag8 Ag12 Ag5 159.8(2) . . . 1_655 ? Ag7 Ag8 Ag12 Ag5 -106.57(3) . . . 1_655 ? Ag1 Ag8 Ag12 Ag5 -16.14(3) 1_655 . . 1_655 ? Ag6 Ag8 Ag12 Ag5 -168.30(3) . . . 1_655 ? O16 Ag9 Ag12 C3 163.3(3) . . . . ? O17 Ag9 Ag12 C3 -137.8(4) . . . . ? C4 Ag9 Ag12 C3 -18.7(3) . . . . ? Ag10 Ag9 Ag12 C3 -54.8(3) . . . . ? Ag7 Ag9 Ag12 C3 31.7(3) . . . . ? Ag6 Ag9 Ag12 C3 92.0(3) . . . . ? O16 Ag9 Ag12 O12 25.2(7) . . . 1_655 ? O17 Ag9 Ag12 O12 84.1(7) . . . 1_655 ? C3 Ag9 Ag12 O12 -138.1(7) . . . 1_655 ? C4 Ag9 Ag12 O12 -156.8(7) . . . 1_655 ? Ag10 Ag9 Ag12 O12 167.0(6) . . . 1_655 ? Ag7 Ag9 Ag12 O12 -106.5(6) . . . 1_655 ? Ag6 Ag9 Ag12 O12 -46.1(6) . . . 1_655 ? O16 Ag9 Ag12 O15 -13.7(3) . . . . ? O17 Ag9 Ag12 O15 45.2(4) . . . . ? C3 Ag9 Ag12 O15 -177.0(3) . . . . ? C4 Ag9 Ag12 O15 164.3(3) . . . . ? Ag10 Ag9 Ag12 O15 128.1(2) . . . . ? Ag7 Ag9 Ag12 O15 -145.4(2) . . . . ? Ag6 Ag9 Ag12 O15 -85.0(2) . . . . ? O16 Ag9 Ag12 Ag8 122.78(18) . . . . ? O17 Ag9 Ag12 Ag8 -178.3(4) . . . . ? C3 Ag9 Ag12 Ag8 -40.6(3) . . . . ? C4 Ag9 Ag12 Ag8 -59.2(2) . . . . ? Ag10 Ag9 Ag12 Ag8 -95.39(3) . . . . ? Ag7 Ag9 Ag12 Ag8 -8.89(2) . . . . ? Ag6 Ag9 Ag12 Ag8 51.44(2) . . . . ? O16 Ag9 Ag12 Ag5 -136.25(18) . . . 1_655 ? O17 Ag9 Ag12 Ag5 -77.4(4) . . . 1_655 ? C3 Ag9 Ag12 Ag5 60.4(3) . . . 1_655 ? C4 Ag9 Ag12 Ag5 41.7(2) . . . 1_655 ? Ag10 Ag9 Ag12 Ag5 5.58(4) . . . 1_655 ? Ag7 Ag9 Ag12 Ag5 92.08(3) . . . 1_655 ? Ag6 Ag9 Ag12 Ag5 152.41(3) . . . 1_655 ? N2 Ag6 C1 C2 132.0(10) . . . . ? Ag5 Ag6 C1 C2 169.8(10) . . . . ? Ag8 Ag6 C1 C2 16.8(10) . . . . ? Ag9 Ag6 C1 C2 73.6(9) . . . . ? Ag7 Ag6 C1 C2 6.9(8) . . . . ? N2 Ag6 C1 Ag5 -37.8(9) . . . . ? Ag8 Ag6 C1 Ag5 -152.97(10) . . . . ? Ag9 Ag6 C1 Ag5 -96.2(2) . . . . ? Ag7 Ag6 C1 Ag5 -162.9(3) . . . . ? N2 Ag6 C1 Ag1 -124.5(8) . . . . ? Ag5 Ag6 C1 Ag1 -86.7(3) . . . . ? Ag8 Ag6 C1 Ag1 120.3(2) . . . . ? Ag9 Ag6 C1 Ag1 177.1(4) . . . . ? Ag7 Ag6 C1 Ag1 110.4(3) . . . . ? N2 Ag6 C1 Ag4 -7.8(14) . . . . ? Ag5 Ag6 C1 Ag4 29.9(6) . . . . ? Ag8 Ag6 C1 Ag4 -123.0(7) . . . . ? Ag9 Ag6 C1 Ag4 -66.3(7) . . . . ? Ag7 Ag6 C1 Ag4 -133.0(8) . . . . ? O13 Ag5 C1 C2 5.0(13) . . . . ? O11 Ag5 C1 C2 176.4(10) . . . . ? Ag6 Ag5 C1 C2 -167.2(13) . . . . ? Ag4 Ag5 C1 C2 -2.3(10) . . . . ? Ag12 Ag5 C1 C2 79.6(11) 1_455 . . . ? Ag1 Ag5 C1 C2 91.0(11) . . . . ? O13 Ag5 C1 Ag6 172.2(3) . . . . ? O11 Ag5 C1 Ag6 -16.4(4) . . . . ? Ag4 Ag5 C1 Ag6 164.9(3) . . . . ? Ag12 Ag5 C1 Ag6 -113.17(17) 1_455 . . . ? Ag1 Ag5 C1 Ag6 -101.8(3) . . . . ? O13 Ag5 C1 Ag1 -86.1(4) . . . . ? O11 Ag5 C1 Ag1 85.3(4) . . . . ? Ag6 Ag5 C1 Ag1 101.8(3) . . . . ? Ag4 Ag5 C1 Ag1 -93.4(3) . . . . ? Ag12 Ag5 C1 Ag1 -11.4(3) 1_455 . . . ? O13 Ag5 C1 Ag4 7.3(4) . . . . ? O11 Ag5 C1 Ag4 178.7(3) . . . . ? Ag6 Ag5 C1 Ag4 -164.9(3) . . . . ? Ag12 Ag5 C1 Ag4 81.96(19) 1_455 . . . ? Ag1 Ag5 C1 Ag4 93.4(3) . . . . ? O6 Ag1 C1 C2 38.0(9) . . . . ? O10 Ag1 C1 C2 143.5(6) 1_455 . . . ? C3 Ag1 C1 C2 -106.6(6) 1_455 . . . ? Ag2 Ag1 C1 C2 22.4(5) . . . . ? Ag8 Ag1 C1 C2 -151.9(4) 1_455 . . . ? Ag11 Ag1 C1 C2 -39.7(6) 1_455 . . . ? Ag5 Ag1 C1 C2 -145.2(7) . . . . ? O6 Ag1 C1 Ag6 -98.4(6) . . . . ? O10 Ag1 C1 Ag6 7.2(3) 1_455 . . . ? C2 Ag1 C1 Ag6 -136.3(8) . . . . ? C3 Ag1 C1 Ag6 117.1(3) 1_455 . . . ? Ag2 Ag1 C1 Ag6 -113.9(3) . . . . ? Ag8 Ag1 C1 Ag6 71.8(5) 1_455 . . . ? Ag11 Ag1 C1 Ag6 -176.0(3) 1_455 . . . ? Ag5 Ag1 C1 Ag6 78.5(3) . . . . ? O6 Ag1 C1 Ag5 -176.8(5) . . . . ? O10 Ag1 C1 Ag5 -71.3(3) 1_455 . . . ? C2 Ag1 C1 Ag5 145.2(7) . . . . ? C3 Ag1 C1 Ag5 38.6(3) 1_455 . . . ? Ag2 Ag1 C1 Ag5 167.6(3) . . . . ? Ag8 Ag1 C1 Ag5 -6.7(5) 1_455 . . . ? Ag11 Ag1 C1 Ag5 105.5(2) 1_455 . . . ? O6 Ag1 C1 Ag4 108.5(6) . . . . ? O10 Ag1 C1 Ag4 -145.9(3) 1_455 . . . ? C2 Ag1 C1 Ag4 70.6(5) . . . . ? C3 Ag1 C1 Ag4 -36.1(3) 1_455 . . . ? Ag2 Ag1 C1 Ag4 92.9(2) . . . . ? Ag8 Ag1 C1 Ag4 -81.4(4) 1_455 . . . ? Ag11 Ag1 C1 Ag4 30.8(2) 1_455 . . . ? Ag5 Ag1 C1 Ag4 -74.7(3) . . . . ? O14 Ag4 C1 C2 178.0(5) . . . . ? O20 Ag4 C1 C2 -11.4(6) 1_455 . . . ? Ag5 Ag4 C1 C2 178.6(6) . . . . ? Ag10 Ag4 C1 C2 95.5(5) 1_455 . . . ? Ag3 Ag4 C1 C2 -17.3(5) . . . . ? Ag11 Ag4 C1 C2 61.8(5) 1_455 . . . ? O14 Ag4 C1 Ag6 -31.1(9) . . . . ? O20 Ag4 C1 Ag6 139.5(7) 1_455 . . . ? C2 Ag4 C1 Ag6 150.9(11) . . . . ? Ag5 Ag4 C1 Ag6 -30.5(6) . . . . ? Ag10 Ag4 C1 Ag6 -113.5(7) 1_455 . . . ? Ag3 Ag4 C1 Ag6 133.7(8) . . . . ? Ag11 Ag4 C1 Ag6 -147.3(7) 1_455 . . . ? O14 Ag4 C1 Ag5 -0.6(4) . . . . ? O20 Ag4 C1 Ag5 170.0(2) 1_455 . . . ? C2 Ag4 C1 Ag5 -178.6(6) . . . . ? Ag10 Ag4 C1 Ag5 -83.0(3) 1_455 . . . ? Ag3 Ag4 C1 Ag5 164.2(2) . . . . ? Ag11 Ag4 C1 Ag5 -116.76(16) 1_455 . . . ? O14 Ag4 C1 Ag1 87.5(4) . . . . ? O20 Ag4 C1 Ag1 -101.8(3) 1_455 . . . ? C2 Ag4 C1 Ag1 -90.4(6) . . . . ? Ag5 Ag4 C1 Ag1 88.2(3) . . . . ? Ag10 Ag4 C1 Ag1 5.1(4) 1_455 . . . ? Ag3 Ag4 C1 Ag1 -107.7(3) . . . . ? Ag11 Ag4 C1 Ag1 -28.6(2) 1_455 . . . ? Ag6 C1 C2 Ag3 -97.6(16) . . . . ? Ag5 C1 C2 Ag3 65(2) . . . . ? Ag1 C1 C2 Ag3 154.9(13) . . . . ? Ag4 C1 C2 Ag3 62.2(14) . . . . ? Ag6 C1 C2 Ag2 72.6(10) . . . . ? Ag5 C1 C2 Ag2 -125.2(9) . . . . ? Ag1 C1 C2 Ag2 -34.9(7) . . . . ? Ag4 C1 C2 Ag2 -127.6(6) . . . . ? Ag6 C1 C2 Ag4 -159.8(8) . . . . ? Ag5 C1 C2 Ag4 2.4(10) . . . . ? Ag1 C1 C2 Ag4 92.7(3) . . . . ? Ag6 C1 C2 Ag7 -7.9(9) . . . . ? Ag5 C1 C2 Ag7 154.3(9) . . . . ? Ag1 C1 C2 Ag7 -115.4(3) . . . . ? Ag4 C1 C2 Ag7 151.9(3) . . . . ? Ag6 C1 C2 Ag1 107.5(8) . . . . ? Ag5 C1 C2 Ag1 -90.3(10) . . . . ? Ag4 C1 C2 Ag1 -92.7(3) . . . . ? N3 Ag3 C2 C1 92(3) . . . . ? Ag2 Ag3 C2 C1 171.9(17) . . . . ? Ag7 Ag3 C2 C1 93.1(15) . . . . ? Ag4 Ag3 C2 C1 -60.8(14) . . . . ? N3 Ag3 C2 Ag2 -79(2) . . . . ? Ag7 Ag3 C2 Ag2 -78.8(2) . . . . ? Ag4 Ag3 C2 Ag2 127.3(3) . . . . ? N3 Ag3 C2 Ag4 153(2) . . . . ? Ag2 Ag3 C2 Ag4 -127.3(3) . . . . ? Ag7 Ag3 C2 Ag4 153.9(3) . . . . ? N3 Ag3 C2 Ag7 -1(2) . . . . ? Ag2 Ag3 C2 Ag7 78.8(2) . . . . ? Ag4 Ag3 C2 Ag7 -153.9(3) . . . . ? N3 Ag3 C2 Ag1 -126(2) . . . . ? Ag2 Ag3 C2 Ag1 -46.1(5) . . . . ? Ag7 Ag3 C2 Ag1 -124.9(7) . . . . ? Ag4 Ag3 C2 Ag1 81.2(6) . . . . ? O5 Ag2 C2 C1 33.9(10) . . . . ? O4 Ag2 C2 C1 -130.7(7) . . . . ? Ag3 Ag2 C2 C1 -175.5(9) . . . . ? Ag1 Ag2 C2 C1 31.5(7) . . . . ? Ag7 Ag2 C2 C1 -90.6(8) . . . . ? Ag11 Ag2 C2 C1 93.3(8) 1_455 . . . ? O5 Ag2 C2 Ag3 -150.6(4) . . . . ? O4 Ag2 C2 Ag3 44.8(4) . . . . ? Ag1 Ag2 C2 Ag3 -153.0(3) . . . . ? Ag7 Ag2 C2 Ag3 84.9(2) . . . . ? Ag11 Ag2 C2 Ag3 -91.26(19) 1_455 . . . ? O5 Ag2 C2 Ag4 -70.9(6) . . . . ? O4 Ag2 C2 Ag4 124.5(4) . . . . ? Ag3 Ag2 C2 Ag4 79.8(4) . . . . ? Ag1 Ag2 C2 Ag4 -73.2(4) . . . . ? Ag7 Ag2 C2 Ag4 164.6(5) . . . . ? Ag11 Ag2 C2 Ag4 -11.5(3) 1_455 . . . ? O5 Ag2 C2 Ag7 124.5(4) . . . . ? O4 Ag2 C2 Ag7 -40.1(3) . . . . ? Ag3 Ag2 C2 Ag7 -84.9(2) . . . . ? Ag1 Ag2 C2 Ag7 122.1(2) . . . . ? Ag11 Ag2 C2 Ag7 -176.12(19) 1_455 . . . ? O5 Ag2 C2 Ag1 2.4(5) . . . . ? O4 Ag2 C2 Ag1 -162.2(2) . . . . ? Ag3 Ag2 C2 Ag1 153.0(3) . . . . ? Ag7 Ag2 C2 Ag1 -122.1(2) . . . . ? Ag11 Ag2 C2 Ag1 61.74(11) 1_455 . . . ? O14 Ag4 C2 C1 -4.4(10) . . . . ? O20 Ag4 C2 C1 170.8(5) 1_455 . . . ? Ag5 Ag4 C2 C1 -1.1(5) . . . . ? Ag10 Ag4 C2 C1 -109.8(5) 1_455 . . . ? Ag3 Ag4 C2 C1 155.9(6) . . . . ? Ag11 Ag4 C2 C1 -115.0(5) 1_455 . . . ? O14 Ag4 C2 Ag3 -160.3(6) . . . . ? O20 Ag4 C2 Ag3 14.9(3) 1_455 . . . ? C1 Ag4 C2 Ag3 -155.9(6) . . . . ? Ag5 Ag4 C2 Ag3 -157.0(2) . . . . ? Ag10 Ag4 C2 Ag3 94.3(2) 1_455 . . . ? Ag11 Ag4 C2 Ag3 89.1(2) 1_455 . . . ? O14 Ag4 C2 Ag2 122.2(7) . . . . ? O20 Ag4 C2 Ag2 -62.6(4) 1_455 . . . ? C1 Ag4 C2 Ag2 126.6(8) . . . . ? Ag5 Ag4 C2 Ag2 125.5(4) . . . . ? Ag10 Ag4 C2 Ag2 16.8(5) 1_455 . . . ? Ag3 Ag4 C2 Ag2 -77.5(4) . . . . ? Ag11 Ag4 C2 Ag2 11.6(3) 1_455 . . . ? O14 Ag4 C2 Ag7 -91.5(10) . . . . ? O20 Ag4 C2 Ag7 83.7(8) 1_455 . . . ? C1 Ag4 C2 Ag7 -87.1(9) . . . . ? Ag5 Ag4 C2 Ag7 -88.2(8) . . . . ? Ag10 Ag4 C2 Ag7 163.1(6) 1_455 . . . ? Ag3 Ag4 C2 Ag7 68.8(7) . . . . ? Ag11 Ag4 C2 Ag7 157.9(8) 1_455 . . . ? O14 Ag4 C2 Ag1 56.2(8) . . . . ? O20 Ag4 C2 Ag1 -128.6(2) 1_455 . . . ? C1 Ag4 C2 Ag1 60.6(5) . . . . ? Ag5 Ag4 C2 Ag1 59.48(15) . . . . ? Ag10 Ag4 C2 Ag1 -49.2(3) 1_455 . . . ? Ag3 Ag4 C2 Ag1 -143.6(3) . . . . ? Ag11 Ag4 C2 Ag1 -54.42(14) 1_455 . . . ? O3 Ag7 C2 C1 178.8(5) . . . . ? O7 Ag7 C2 C1 72.9(6) . . . . ? C3 Ag7 C2 C1 -57.1(6) . . . . ? C4 Ag7 C2 C1 -86.8(6) . . . . ? Ag8 Ag7 C2 C1 -5.1(6) . . . . ? Ag2 Ag7 C2 C1 124.4(6) . . . . ? Ag9 Ag7 C2 C1 -63.4(5) . . . . ? Ag3 Ag7 C2 C1 -152.3(7) . . . . ? Ag6 Ag7 C2 C1 4.1(5) . . . . ? O3 Ag7 C2 Ag3 -28.8(3) . . . . ? O7 Ag7 C2 Ag3 -134.7(3) . . . . ? C3 Ag7 C2 Ag3 95.3(3) . . . . ? C4 Ag7 C2 Ag3 65.6(3) . . . . ? Ag8 Ag7 C2 Ag3 147.25(12) . . . . ? Ag2 Ag7 C2 Ag3 -83.3(2) . . . . ? Ag9 Ag7 C2 Ag3 88.9(2) . . . . ? Ag6 Ag7 C2 Ag3 156.5(3) . . . . ? O3 Ag7 C2 Ag2 54.4(3) . . . . ? O7 Ag7 C2 Ag2 -51.5(3) . . . . ? C3 Ag7 C2 Ag2 178.5(2) . . . . ? C4 Ag7 C2 Ag2 148.8(2) . . . . ? Ag8 Ag7 C2 Ag2 -129.49(14) . . . . ? Ag9 Ag7 C2 Ag2 172.1(3) . . . . ? Ag3 Ag7 C2 Ag2 83.3(2) . . . . ? Ag6 Ag7 C2 Ag2 -120.3(2) . . . . ? O3 Ag7 C2 Ag4 -98.4(8) . . . . ? O7 Ag7 C2 Ag4 155.8(8) . . . . ? C3 Ag7 C2 Ag4 25.7(8) . . . . ? C4 Ag7 C2 Ag4 -3.9(8) . . . . ? Ag8 Ag7 C2 Ag4 77.7(8) . . . . ? Ag2 Ag7 C2 Ag4 -152.8(9) . . . . ? Ag9 Ag7 C2 Ag4 19.4(7) . . . . ? Ag3 Ag7 C2 Ag4 -69.5(7) . . . . ? Ag6 Ag7 C2 Ag4 87.0(8) . . . . ? O3 Ag7 C2 Ag1 118.0(3) . . . . ? O7 Ag7 C2 Ag1 12.1(3) . . . . ? C3 Ag7 C2 Ag1 -117.9(3) . . . . ? C4 Ag7 C2 Ag1 -147.6(3) . . . . ? Ag8 Ag7 C2 Ag1 -65.9(4) . . . . ? Ag2 Ag7 C2 Ag1 63.6(3) . . . . ? Ag9 Ag7 C2 Ag1 -124.2(3) . . . . ? Ag3 Ag7 C2 Ag1 146.9(5) . . . . ? Ag6 Ag7 C2 Ag1 -56.7(2) . . . . ? O6 Ag1 C2 C1 -158.8(6) . . . . ? O10 Ag1 C2 C1 -39.1(6) 1_455 . . . ? C3 Ag1 C2 C1 86.8(6) 1_455 . . . ? Ag2 Ag1 C2 C1 -150.6(7) . . . . ? Ag8 Ag1 C2 C1 68.8(8) 1_455 . . . ? Ag11 Ag1 C2 C1 139.5(6) 1_455 . . . ? Ag5 Ag1 C2 C1 25.5(5) . . . . ? O6 Ag1 C2 Ag3 40.3(8) . . . . ? C1 Ag1 C2 Ag3 -161.0(10) . . . . ? O10 Ag1 C2 Ag3 159.9(6) 1_455 . . . ? C3 Ag1 C2 Ag3 -74.1(7) 1_455 . . . ? Ag2 Ag1 C2 Ag3 48.5(5) . . . . ? Ag8 Ag1 C2 Ag3 -92.1(8) 1_455 . . . ? Ag11 Ag1 C2 Ag3 -21.5(6) 1_455 . . . ? Ag5 Ag1 C2 Ag3 -135.5(6) . . . . ? O6 Ag1 C2 Ag2 -8.2(4) . . . . ? C1 Ag1 C2 Ag2 150.6(7) . . . . ? O10 Ag1 C2 Ag2 111.5(2) 1_455 . . . ? C3 Ag1 C2 Ag2 -122.6(2) 1_455 . . . ? Ag8 Ag1 C2 Ag2 -140.6(4) 1_455 . . . ? Ag11 Ag1 C2 Ag2 -69.92(15) 1_455 . . . ? Ag5 Ag1 C2 Ag2 176.0(2) . . . . ? O6 Ag1 C2 Ag4 121.1(3) . . . . ? C1 Ag1 C2 Ag4 -80.1(6) . . . . ? O10 Ag1 C2 Ag4 -119.2(2) 1_455 . . . ? C3 Ag1 C2 Ag4 6.7(3) 1_455 . . . ? Ag2 Ag1 C2 Ag4 129.3(3) . . . . ? Ag8 Ag1 C2 Ag4 -11.3(7) 1_455 . . . ? Ag11 Ag1 C2 Ag4 59.38(16) 1_455 . . . ? Ag5 Ag1 C2 Ag4 -54.66(16) . . . . ? O6 Ag1 C2 Ag7 -75.0(4) . . . . ? C1 Ag1 C2 Ag7 83.7(6) . . . . ? O10 Ag1 C2 Ag7 44.6(4) 1_455 . . . ? C3 Ag1 C2 Ag7 170.6(3) 1_455 . . . ? Ag2 Ag1 C2 Ag7 -66.8(3) . . . . ? Ag8 Ag1 C2 Ag7 152.6(3) 1_455 . . . ? Ag11 Ag1 C2 Ag7 -136.8(3) 1_455 . . . ? Ag5 Ag1 C2 Ag7 109.2(3) . . . . ? O9 Ag8 C3 C4 115.9(10) . . . . ? O8 Ag8 C3 C4 -68.6(11) . . . . ? Ag12 Ag8 C3 C4 176.7(11) . . . . ? Ag7 Ag8 C3 C4 -41.6(9) . . . . ? Ag1 Ag8 C3 C4 70.9(10) 1_655 . . . ? Ag6 Ag8 C3 C4 -106.7(10) . . . . ? O9 Ag8 C3 Ag12 -60.8(4) . . . . ? O8 Ag8 C3 Ag12 114.7(4) . . . . ? Ag7 Ag8 C3 Ag12 141.8(3) . . . . ? Ag1 Ag8 C3 Ag12 -105.8(2) 1_655 . . . ? Ag6 Ag8 C3 Ag12 76.61(17) . . . . ? O9 Ag8 C3 Ag9 -137.6(4) . . . . ? O8 Ag8 C3 Ag9 37.9(7) . . . . ? Ag12 Ag8 C3 Ag9 -76.8(4) . . . . ? Ag7 Ag8 C3 Ag9 64.9(3) . . . . ? Ag1 Ag8 C3 Ag9 177.4(5) 1_655 . . . ? Ag6 Ag8 C3 Ag9 -0.2(3) . . . . ? O9 Ag8 C3 Ag7 157.5(3) . . . . ? O8 Ag8 C3 Ag7 -27.0(5) . . . . ? Ag12 Ag8 C3 Ag7 -141.8(3) . . . . ? Ag1 Ag8 C3 Ag7 112.5(2) 1_655 . . . ? Ag6 Ag8 C3 Ag7 -65.15(12) . . . . ? O9 Ag8 C3 Ag1 45.0(4) . . . 1_655 ? O8 Ag8 C3 Ag1 -139.5(4) . . . 1_655 ? Ag12 Ag8 C3 Ag1 105.8(2) . . . 1_655 ? Ag7 Ag8 C3 Ag1 -112.5(2) . . . 1_655 ? Ag6 Ag8 C3 Ag1 -177.62(15) . . . 1_655 ? O12 Ag12 C3 C4 -138.6(8) 1_655 . . . ? O15 Ag12 C3 C4 66.0(10) . . . . ? Ag8 Ag12 C3 C4 -176.9(11) . . . . ? Ag9 Ag12 C3 C4 62.2(9) . . . . ? Ag5 Ag12 C3 C4 -66.9(9) 1_655 . . . ? O12 Ag12 C3 Ag8 38.3(5) 1_655 . . . ? O15 Ag12 C3 Ag8 -117.1(3) . . . . ? Ag9 Ag12 C3 Ag8 -120.9(3) . . . . ? Ag5 Ag12 C3 Ag8 110.01(18) 1_655 . . . ? O12 Ag12 C3 Ag9 159.3(3) 1_655 . . . ? O15 Ag12 C3 Ag9 3.9(4) . . . . ? Ag8 Ag12 C3 Ag9 120.9(3) . . . . ? Ag5 Ag12 C3 Ag9 -129.05(17) 1_655 . . . ? O12 Ag12 C3 Ag7 95.5(6) 1_655 . . . ? O15 Ag12 C3 Ag7 -59.9(6) . . . . ? Ag8 Ag12 C3 Ag7 57.2(4) . . . . ? Ag9 Ag12 C3 Ag7 -63.8(4) . . . . ? Ag5 Ag12 C3 Ag7 167.2(4) 1_655 . . . ? O12 Ag12 C3 Ag1 -33.7(5) 1_655 . . 1_655 ? O15 Ag12 C3 Ag1 170.9(3) . . . 1_655 ? Ag8 Ag12 C3 Ag1 -72.0(2) . . . 1_655 ? Ag9 Ag12 C3 Ag1 167.0(4) . . . 1_655 ? Ag5 Ag12 C3 Ag1 38.0(2) 1_655 . . 1_655 ? O16 Ag9 C3 C4 -161.5(5) . . . . ? O17 Ag9 C3 C4 -7.4(9) . . . . ? Ag10 Ag9 C3 C4 -19.8(5) . . . . ? Ag12 Ag9 C3 C4 -142.2(6) . . . . ? Ag7 Ag9 C3 C4 78.5(5) . . . . ? Ag6 Ag9 C3 C4 142.0(5) . . . . ? O16 Ag9 C3 Ag8 56.7(5) . . . . ? O17 Ag9 C3 Ag8 -149.2(4) . . . . ? C4 Ag9 C3 Ag8 -141.8(8) . . . . ? Ag10 Ag9 C3 Ag8 -161.6(4) . . . . ? Ag12 Ag9 C3 Ag8 76.0(4) . . . . ? Ag7 Ag9 C3 Ag8 -63.3(3) . . . . ? Ag6 Ag9 C3 Ag8 0.2(3) . . . . ? O16 Ag9 C3 Ag12 -19.3(4) . . . . ? O17 Ag9 C3 Ag12 134.8(5) . . . . ? C4 Ag9 C3 Ag12 142.2(6) . . . . ? Ag10 Ag9 C3 Ag12 122.5(2) . . . . ? Ag7 Ag9 C3 Ag12 -139.3(3) . . . . ? Ag6 Ag9 C3 Ag12 -75.79(17) . . . . ? O16 Ag9 C3 Ag7 120.0(2) . . . . ? O17 Ag9 C3 Ag7 -85.9(5) . . . . ? C4 Ag9 C3 Ag7 -78.5(5) . . . . ? Ag10 Ag9 C3 Ag7 -98.23(16) . . . . ? Ag12 Ag9 C3 Ag7 139.3(3) . . . . ? Ag6 Ag9 C3 Ag7 63.53(12) . . . . ? O16 Ag9 C3 Ag1 -133.8(15) . . . 1_655 ? O17 Ag9 C3 Ag1 20.3(19) . . . 1_655 ? C4 Ag9 C3 Ag1 27.8(13) . . . 1_655 ? Ag10 Ag9 C3 Ag1 8.0(15) . . . 1_655 ? Ag12 Ag9 C3 Ag1 -114.5(16) . . . 1_655 ? Ag7 Ag9 C3 Ag1 106.2(16) . . . 1_655 ? Ag6 Ag9 C3 Ag1 169.8(16) . . . 1_655 ? O3 Ag7 C3 C4 38.5(6) . . . . ? O7 Ag7 C3 C4 162.4(5) . . . . ? C2 Ag7 C3 C4 -87.3(5) . . . . ? Ag8 Ag7 C3 C4 154.5(6) . . . . ? Ag2 Ag7 C3 C4 -84.1(7) . . . . ? Ag9 Ag7 C3 C4 -79.8(5) . . . . ? Ag3 Ag7 C3 C4 -41.0(5) . . . . ? Ag6 Ag7 C3 C4 -142.6(5) . . . . ? O3 Ag7 C3 Ag8 -116.0(3) . . . . ? O7 Ag7 C3 Ag8 7.9(4) . . . . ? C2 Ag7 C3 Ag8 118.2(2) . . . . ? C4 Ag7 C3 Ag8 -154.5(6) . . . . ? Ag2 Ag7 C3 Ag8 121.4(4) . . . . ? Ag9 Ag7 C3 Ag8 125.7(3) . . . . ? Ag3 Ag7 C3 Ag8 164.47(12) . . . . ? Ag6 Ag7 C3 Ag8 62.89(16) . . . . ? O3 Ag7 C3 Ag12 -175.8(4) . . . . ? O7 Ag7 C3 Ag12 -51.9(6) . . . . ? C2 Ag7 C3 Ag12 58.4(5) . . . . ? C4 Ag7 C3 Ag12 145.7(8) . . . . ? Ag8 Ag7 C3 Ag12 -59.8(4) . . . . ? Ag2 Ag7 C3 Ag12 61.6(8) . . . . ? Ag9 Ag7 C3 Ag12 65.9(4) . . . . ? Ag3 Ag7 C3 Ag12 104.7(4) . . . . ? Ag6 Ag7 C3 Ag12 3.1(4) . . . . ? O3 Ag7 C3 Ag9 118.3(3) . . . . ? O7 Ag7 C3 Ag9 -117.8(3) . . . . ? C2 Ag7 C3 Ag9 -7.5(3) . . . . ? C4 Ag7 C3 Ag9 79.8(5) . . . . ? Ag8 Ag7 C3 Ag9 -125.7(3) . . . . ? Ag2 Ag7 C3 Ag9 -4.3(6) . . . . ? Ag3 Ag7 C3 Ag9 38.8(2) . . . . ? Ag6 Ag7 C3 Ag9 -62.81(14) . . . . ? O3 Ag7 C3 Ag1 -47.8(3) . . . 1_655 ? O7 Ag7 C3 Ag1 76.1(4) . . . 1_655 ? C2 Ag7 C3 Ag1 -173.6(2) . . . 1_655 ? C4 Ag7 C3 Ag1 -86.3(5) . . . 1_655 ? Ag8 Ag7 C3 Ag1 68.2(2) . . . 1_655 ? Ag2 Ag7 C3 Ag1 -170.4(3) . . . 1_655 ? Ag9 Ag7 C3 Ag1 -166.1(4) . . . 1_655 ? Ag3 Ag7 C3 Ag1 -127.29(18) . . . 1_655 ? Ag6 Ag7 C3 Ag1 131.1(2) . . . 1_655 ? Ag8 C3 C4 Ag11 -39.5(15) . . . . ? Ag12 C3 C4 Ag11 135.6(7) . . . . ? Ag9 C3 C4 Ag11 -160.3(8) . . . . ? Ag7 C3 C4 Ag11 -80.6(8) . . . . ? Ag1 C3 C4 Ag11 26.2(8) 1_655 . . . ? Ag8 C3 C4 Ag10 168.0(5) . . . . ? Ag12 C3 C4 Ag10 -16.9(16) . . . . ? Ag9 C3 C4 Ag10 47.2(9) . . . . ? Ag7 C3 C4 Ag10 126.9(10) . . . . ? Ag1 C3 C4 Ag10 -126.3(9) 1_655 . . . ? Ag8 C3 C4 Ag9 120.8(9) . . . . ? Ag12 C3 C4 Ag9 -64.1(8) . . . . ? Ag7 C3 C4 Ag9 79.67(16) . . . . ? Ag1 C3 C4 Ag9 -173.6(3) 1_655 . . . ? Ag8 C3 C4 Ag7 41.1(9) . . . . ? Ag12 C3 C4 Ag7 -143.8(8) . . . . ? Ag9 C3 C4 Ag7 -79.67(16) . . . . ? Ag1 C3 C4 Ag7 106.8(2) 1_655 . . . ? O2 Ag11 C4 C3 -90.1(13) . . . . ? O3 Ag11 C4 C3 81.5(9) . . . . ? Ag10 Ag11 C4 C3 -163.5(10) . . . . ? Ag1 Ag11 C4 C3 -24.6(8) 1_655 . . . ? Ag4 Ag11 C4 C3 -96.8(9) 1_655 . . . ? Ag2 Ag11 C4 C3 -33.6(10) 1_655 . . . ? O2 Ag11 C4 Ag10 73.4(10) . . . . ? O3 Ag11 C4 Ag10 -115.0(3) . . . . ? Ag1 Ag11 C4 Ag10 138.9(3) 1_655 . . . ? Ag4 Ag11 C4 Ag10 66.70(17) 1_655 . . . ? Ag2 Ag11 C4 Ag10 129.92(13) 1_655 . . . ? O2 Ag11 C4 Ag9 127.4(9) . . . . ? O3 Ag11 C4 Ag9 -61.0(7) . . . . ? Ag10 Ag11 C4 Ag9 54.0(6) . . . . ? Ag1 Ag11 C4 Ag9 -167.1(8) 1_655 . . . ? Ag4 Ag11 C4 Ag9 120.7(7) 1_655 . . . ? Ag2 Ag11 C4 Ag9 -176.1(6) 1_655 . . . ? O2 Ag11 C4 Ag7 -163.4(8) . . . . ? O3 Ag11 C4 Ag7 8.1(3) . . . . ? Ag10 Ag11 C4 Ag7 123.2(3) . . . . ? Ag1 Ag11 C4 Ag7 -97.9(2) 1_655 . . . ? Ag4 Ag11 C4 Ag7 -170.1(3) 1_655 . . . ? Ag2 Ag11 C4 Ag7 -106.91(19) 1_655 . . . ? O19 Ag10 C4 C3 125.9(10) . . . . ? O18 Ag10 C4 C3 -53.2(12) . . . . ? Ag11 Ag10 C4 C3 160.3(12) . . . . ? Ag9 Ag10 C4 C3 -45.5(10) . . . . ? Ag4 Ag10 C4 C3 85.8(10) 1_655 . . . ? O19 Ag10 C4 Ag11 -34.5(6) . . . . ? O18 Ag10 C4 Ag11 146.4(3) . . . . ? Ag9 Ag10 C4 Ag11 154.2(3) . . . . ? Ag4 Ag10 C4 Ag11 -74.59(17) 1_655 . . . ? O19 Ag10 C4 Ag9 171.3(4) . . . . ? O18 Ag10 C4 Ag9 -7.8(5) . . . . ? Ag11 Ag10 C4 Ag9 -154.2(3) . . . . ? Ag4 Ag10 C4 Ag9 131.2(2) 1_655 . . . ? O19 Ag10 C4 Ag7 -122.1(5) . . . . ? O18 Ag10 C4 Ag7 58.8(6) . . . . ? Ag11 Ag10 C4 Ag7 -87.6(4) . . . . ? Ag9 Ag10 C4 Ag7 66.6(3) . . . . ? Ag4 Ag10 C4 Ag7 -162.2(4) 1_655 . . . ? O16 Ag9 C4 C3 31.4(8) . . . . ? O17 Ag9 C4 C3 175.8(5) . . . . ? Ag10 Ag9 C4 C3 153.1(6) . . . . ? Ag12 Ag9 C4 C3 27.6(5) . . . . ? Ag7 Ag9 C4 C3 -79.1(5) . . . . ? Ag6 Ag9 C4 C3 -38.2(5) . . . . ? O16 Ag9 C4 Ag11 -175.7(5) . . . . ? O17 Ag9 C4 Ag11 -31.4(8) . . . . ? C3 Ag9 C4 Ag11 152.9(11) . . . . ? Ag10 Ag9 C4 Ag11 -54.0(6) . . . . ? Ag12 Ag9 C4 Ag11 -179.5(8) . . . . ? Ag7 Ag9 C4 Ag11 73.8(7) . . . . ? Ag6 Ag9 C4 Ag11 114.6(7) . . . . ? O16 Ag9 C4 Ag10 -121.7(4) . . . . ? O17 Ag9 C4 Ag10 22.6(4) . . . . ? C3 Ag9 C4 Ag10 -153.1(6) . . . . ? Ag12 Ag9 C4 Ag10 -125.5(2) . . . . ? Ag7 Ag9 C4 Ag10 127.8(3) . . . . ? Ag6 Ag9 C4 Ag10 168.61(15) . . . . ? O16 Ag9 C4 Ag7 110.5(5) . . . . ? O17 Ag9 C4 Ag7 -105.2(3) . . . . ? C3 Ag9 C4 Ag7 79.1(5) . . . . ? Ag10 Ag9 C4 Ag7 -127.8(3) . . . . ? Ag12 Ag9 C4 Ag7 106.66(16) . . . . ? Ag6 Ag9 C4 Ag7 40.81(17) . . . . ? O3 Ag7 C4 C3 -144.0(5) . . . . ? O7 Ag7 C4 C3 -30.7(9) . . . . ? C2 Ag7 C4 C3 103.4(5) . . . . ? Ag8 Ag7 C4 C3 -19.1(5) . . . . ? Ag2 Ag7 C4 C3 144.2(4) . . . . ? Ag9 Ag7 C4 C3 75.9(5) . . . . ? Ag3 Ag7 C4 C3 141.9(5) . . . . ? Ag6 Ag7 C4 C3 36.6(5) . . . . ? O3 Ag7 C4 Ag11 -9.1(3) . . . . ? O7 Ag7 C4 Ag11 104.1(6) . . . . ? C2 Ag7 C4 Ag11 -121.8(3) . . . . ? C3 Ag7 C4 Ag11 134.8(6) . . . . ? Ag8 Ag7 C4 Ag11 115.7(2) . . . . ? Ag2 Ag7 C4 Ag11 -80.9(3) . . . . ? Ag9 Ag7 C4 Ag11 -149.3(3) . . . . ? Ag3 Ag7 C4 Ag11 -83.3(2) . . . . ? Ag6 Ag7 C4 Ag11 171.41(19) . . . . ? O3 Ag7 C4 Ag10 71.5(4) . . . . ? O7 Ag7 C4 Ag10 -175.3(5) . . . . ? C2 Ag7 C4 Ag10 -41.2(5) . . . . ? C3 Ag7 C4 Ag10 -144.6(8) . . . . ? Ag8 Ag7 C4 Ag10 -163.7(4) . . . . ? Ag2 Ag7 C4 Ag10 -0.3(6) . . . . ? Ag9 Ag7 C4 Ag10 -68.7(3) . . . . ? Ag3 Ag7 C4 Ag10 -2.7(4) . . . . ? Ag6 Ag7 C4 Ag10 -108.0(4) . . . . ? O3 Ag7 C4 Ag9 140.2(3) . . . . ? O7 Ag7 C4 Ag9 -106.6(6) . . . . ? C2 Ag7 C4 Ag9 27.5(3) . . . . ? C3 Ag7 C4 Ag9 -75.9(5) . . . . ? Ag8 Ag7 C4 Ag9 -94.97(16) . . . . ? Ag2 Ag7 C4 Ag9 68.4(3) . . . . ? Ag3 Ag7 C4 Ag9 66.01(14) . . . . ? Ag6 Ag7 C4 Ag9 -39.29(16) . . . . ? O1 C5 C6 F1 -60.1(17) . . . . ? O2 C5 C6 F1 118.5(15) . . . . ? O1 C5 C6 F3 65.6(15) . . . . ? O2 C5 C6 F3 -115.8(14) . . . . ? O1 C5 C6 F2 -179.9(11) . . . . ? O2 C5 C6 F2 -1.3(15) . . . . ? O4 C7 C8 F4 86.7(14) . . . . ? O3 C7 C8 F4 -94.1(14) . . . . ? O4 C7 C8 F6 -38.1(15) . . . . ? O3 C7 C8 F6 141.0(12) . . . . ? O4 C7 C8 F5 -159.6(11) . . . . ? O3 C7 C8 F5 19.6(14) . . . . ? O6 C9 C10 F7 142.1(14) . . . . ? O5 C9 C10 F7 -40.1(17) . . . . ? O6 C9 C10 F9 17.3(17) . . . . ? O5 C9 C10 F9 -164.9(13) . . . . ? O6 C9 C10 F8 -101.0(14) . . . . ? O5 C9 C10 F8 76.8(14) . . . . ? O7 C11 C12 F11 66.9(12) . . . . ? O8 C11 C12 F11 -109.8(10) . . . . ? O7 C11 C12 F10 -54.2(13) . . . . ? O8 C11 C12 F10 129.1(10) . . . . ? O7 C11 C12 F12 -173.8(9) . . . . ? O8 C11 C12 F12 9.5(13) . . . . ? O10 C13 C14 F15 4.2(15) . . . . ? O9 C13 C14 F15 -175.3(10) . . . . ? O10 C13 C14 F13 127.7(10) . . . . ? O9 C13 C14 F13 -51.8(12) . . . . ? O10 C13 C14 F14 -115.5(10) . . . . ? O9 C13 C14 F14 65.0(12) . . . . ? O12 C15 C16 F17 -1.1(15) . . . . ? O11 C15 C16 F17 177.1(11) . . . . ? O12 C15 C16 F18 -123.3(10) . . . . ? O11 C15 C16 F18 54.8(12) . . . . ? O12 C15 C16 F16 119.2(9) . . . . ? O11 C15 C16 F16 -62.7(12) . . . . ? O14 C17 C18 F21 -28.0(13) . . . . ? O13 C17 C18 F21 154.8(9) . . . . ? O14 C17 C18 F19 -153.5(10) . . . . ? O13 C17 C18 F19 29.3(13) . . . . ? O14 C17 C18 F20 87.4(10) . . . . ? O13 C17 C18 F20 -89.7(10) . . . . ? O16 C19 C20 F23 123.6(10) . . . . ? O15 C19 C20 F23 -57.0(13) . . . . ? O16 C19 C20 F24 -118.2(11) . . . . ? O15 C19 C20 F24 61.3(13) . . . . ? O16 C19 C20 F22 2.8(15) . . . . ? O15 C19 C20 F22 -177.8(10) . . . . ? O18 C21 C22 F25 146.7(11) . . . . ? O17 C21 C22 F25 -35.7(15) . . . . ? O18 C21 C22 F26 -90.6(14) . . . . ? O17 C21 C22 F26 86.9(13) . . . . ? O18 C21 C22 F27 26.3(14) . . . . ? O17 C21 C22 F27 -156.2(11) . . . . ? O20 C23 C24 F29 -1.9(14) . . . . ? O19 C23 C24 F29 175.9(10) . . . . ? O20 C23 C24 F28 122.8(10) . . . . ? O19 C23 C24 F28 -59.4(12) . . . . ? O20 C23 C24 F30 -123.1(9) . . . . ? O19 C23 C24 F30 54.8(11) . . . . ? N1 C25 C26 C31 -22(13) . . . . ? N1 C25 C26 C27 156(12) . . . . ? C31 C26 C27 C28 2.1(16) . . . . ? C25 C26 C27 C28 -175.9(10) . . . . ? C26 C27 C28 C29 -0.6(18) . . . . ? C27 C28 C29 C30 -1(2) . . . . ? C28 C29 C30 C31 0.6(18) . . . . ? C29 C30 C31 C26 1.0(15) . . . . ? C29 C30 C31 C32 174.8(10) . . . . ? C27 C26 C31 C30 -2.3(14) . . . . ? C25 C26 C31 C30 175.8(9) . . . . ? C27 C26 C31 C32 -176.2(9) . . . . ? C25 C26 C31 C32 1.8(13) . . . . ? C30 C31 C32 N2 -128(17) . . . . ? C26 C31 C32 N2 46(17) . . . . ? N3 C33 C34 C35 61(82) . . . . ? N3 C33 C34 C39 -120(82) . . . . ? C39 C34 C35 C36 1.4(15) . . . . ? C33 C34 C35 C36 -179.1(9) . . . . ? C34 C35 C36 C37 0.3(16) . . . . ? C35 C36 C37 C38 -0.3(17) . . . . ? C36 C37 C38 C39 -1.3(17) . . . . ? C37 C38 C39 C34 2.9(15) . . . . ? C37 C38 C39 C40 -178.0(10) . . . . ? C35 C34 C39 C38 -2.9(14) . . . . ? C33 C34 C39 C38 177.5(9) . . . . ? C35 C34 C39 C40 177.9(9) . . . . ? C33 C34 C39 C40 -1.6(13) . . . . ? C38 C39 C40 N4 -143(86) . . . . ? C34 C39 C40 N4 36(86) . . . . ? N5 C41 C42 C43 139(16) . . . . ? N5 C41 C42 C47 -42(17) . . . . ? C47 C42 C43 C44 2.1(15) . . . . ? C41 C42 C43 C44 -179.3(10) . . . . ? C42 C43 C44 C45 -0.4(16) . . . . ? C43 C44 C45 C46 -0.6(17) . . . . ? C44 C45 C46 C47 0.0(18) . . . . ? C45 C46 C47 C42 1.6(16) . . . . ? C45 C46 C47 C48 -174.5(10) . . . . ? C43 C42 C47 C46 -2.7(15) . . . . ? C41 C42 C47 C46 178.7(9) . . . . ? C43 C42 C47 C48 173.6(9) . . . . ? C41 C42 C47 C48 -5.1(14) . . . . ? C46 C47 C48 N6 112(18) . . . . ? C42 C47 C48 N6 -64(19) . . . . ? C26 C25 N1 Ag14 48(14) . . . . ? N6 Ag14 N1 C25 167.2(19) 2_755 . . . ? O9 Ag14 N1 C25 32(2) . . . . ? O8 Ag14 N1 C25 -43(2) . . . . ? C31 C32 N2 Ag6 74(18) . . . . ? C1 Ag6 N2 C32 65(3) . . . . ? Ag5 Ag6 N2 C32 34(3) . . . . ? Ag8 Ag6 N2 C32 -173(3) . . . . ? Ag9 Ag6 N2 C32 116(3) . . . . ? Ag7 Ag6 N2 C32 179(100) . . . . ? C34 C33 N3 Ag3 -112(80) . . . . ? C2 Ag3 N3 C33 125(5) . . . . ? Ag2 Ag3 N3 C33 52(5) . . . . ? Ag7 Ag3 N3 C33 124(5) . . . . ? Ag4 Ag3 N3 C33 -86(5) . . . . ? C39 C40 N4 Ag13 38(87) . . . . ? N5 Ag13 N4 C40 107.4(16) . . . . ? O18 Ag13 N4 C40 -79.0(16) . . . . ? O19 Ag13 N4 C40 -7.5(15) . . . . ? C42 C41 N5 Ag13 118(15) . . . . ? N4 Ag13 N5 C41 -99(3) . . . . ? O18 Ag13 N5 C41 88(3) . . . . ? O19 Ag13 N5 C41 12(3) . . . . ? C47 C48 N6 Ag14 -28(21) . . . 2_745 ? O1 C5 O2 Ag11 1.7(13) . . . . ? C6 C5 O2 Ag11 -176.8(7) . . . . ? C4 Ag11 O2 C5 -109.1(10) . . . . ? O3 Ag11 O2 C5 79.8(7) . . . . ? Ag10 Ag11 O2 C5 -47.9(7) . . . . ? Ag1 Ag11 O2 C5 -168.6(6) 1_655 . . . ? Ag4 Ag11 O2 C5 -102.8(7) 1_655 . . . ? Ag2 Ag11 O2 C5 -175.6(8) 1_655 . . . ? O4 C7 O3 Ag7 1.1(14) . . . . ? C8 C7 O3 Ag7 -178.0(6) . . . . ? O4 C7 O3 Ag11 -158.5(9) . . . . ? C8 C7 O3 Ag11 22.4(17) . . . . ? O7 Ag7 O3 C7 45.4(8) . . . . ? C2 Ag7 O3 C7 -52.9(8) . . . . ? C3 Ag7 O3 C7 -178.8(7) . . . . ? C4 Ag7 O3 C7 -161.8(8) . . . . ? Ag8 Ag7 O3 C7 130.8(7) . . . . ? Ag2 Ag7 O3 C7 -15.7(7) . . . . ? Ag9 Ag7 O3 C7 -125.5(7) . . . . ? Ag3 Ag7 O3 C7 -73.0(7) . . . . ? Ag6 Ag7 O3 C7 13(3) . . . . ? O7 Ag7 O3 Ag11 -145.2(2) . . . . ? C2 Ag7 O3 Ag11 116.5(3) . . . . ? C3 Ag7 O3 Ag11 -9.5(3) . . . . ? C4 Ag7 O3 Ag11 7.6(2) . . . . ? Ag8 Ag7 O3 Ag11 -59.8(3) . . . . ? Ag2 Ag7 O3 Ag11 153.6(2) . . . . ? Ag9 Ag7 O3 Ag11 43.8(3) . . . . ? Ag3 Ag7 O3 Ag11 96.4(2) . . . . ? Ag6 Ag7 O3 Ag11 -178(30) . . . . ? C4 Ag11 O3 C7 153.6(13) . . . . ? O2 Ag11 O3 C7 -29.0(14) . . . . ? Ag10 Ag11 O3 C7 106.5(13) . . . . ? Ag1 Ag11 O3 C7 -142.5(13) 1_655 . . . ? Ag4 Ag11 O3 C7 158.2(10) 1_655 . . . ? Ag2 Ag11 O3 C7 -85.9(13) 1_655 . . . ? C4 Ag11 O3 Ag7 -9.0(3) . . . . ? O2 Ag11 O3 Ag7 168.3(3) . . . . ? Ag10 Ag11 O3 Ag7 -56.1(3) . . . . ? Ag1 Ag11 O3 Ag7 54.9(2) 1_655 . . . ? Ag4 Ag11 O3 Ag7 -4.4(7) 1_655 . . . ? Ag2 Ag11 O3 Ag7 111.5(2) 1_655 . . . ? O3 C7 O4 Ag2 23.1(14) . . . . ? C8 C7 O4 Ag2 -157.9(6) . . . . ? O5 Ag2 O4 C7 -163.6(8) . . . . ? C2 Ag2 O4 C7 7.1(9) . . . . ? Ag3 Ag2 O4 C7 38.2(7) . . . . ? Ag1 Ag2 O4 C7 -81.4(10) . . . . ? Ag7 Ag2 O4 C7 -25.6(7) . . . . ? Ag11 Ag2 O4 C7 112.2(7) 1_455 . . . ? O6 C9 O5 Ag2 0.3(16) . . . . ? C10 C9 O5 Ag2 -177.2(7) . . . . ? C2 Ag2 O5 C9 3.0(11) . . . . ? O4 Ag2 O5 C9 169.8(8) . . . . ? Ag3 Ag2 O5 C9 -100.8(9) . . . . ? Ag1 Ag2 O5 C9 5.1(8) . . . . ? Ag7 Ag2 O5 C9 94.0(8) . . . . ? Ag11 Ag2 O5 C9 -55.1(8) 1_455 . . . ? O5 C9 O6 Ag1 -8.3(16) . . . . ? C10 C9 O6 Ag1 169.1(7) . . . . ? C1 Ag1 O6 C9 -6.4(12) . . . . ? O10 Ag1 O6 C9 -109.0(8) 1_455 . . . ? C2 Ag1 O6 C9 15.0(10) . . . . ? C3 Ag1 O6 C9 141.4(8) 1_455 . . . ? Ag2 Ag1 O6 C9 8.8(8) . . . . ? Ag8 Ag1 O6 C9 -179.7(9) 1_455 . . . ? Ag11 Ag1 O6 C9 76.6(8) 1_455 . . . ? Ag5 Ag1 O6 C9 -178.7(5) . . . . ? O8 C11 O7 Ag7 -2.8(15) . . . . ? C12 C11 O7 Ag7 -179.1(6) . . . . ? O3 Ag7 O7 C11 132.1(9) . . . . ? C2 Ag7 O7 C11 -114.1(9) . . . . ? C3 Ag7 O7 C11 5.9(10) . . . . ? C4 Ag7 O7 C11 23.0(12) . . . . ? Ag8 Ag7 O7 C11 11.7(8) . . . . ? Ag2 Ag7 O7 C11 -153.7(9) . . . . ? Ag9 Ag7 O7 C11 -58.0(9) . . . . ? Ag3 Ag7 O7 C11 -148.4(8) . . . . ? Ag6 Ag7 O7 C11 -50.9(8) . . . . ? O7 C11 O8 Ag8 -12.2(14) . . . . ? C12 C11 O8 Ag8 164.1(6) . . . . ? O7 C11 O8 Ag14 -146.8(8) . . . . ? C12 C11 O8 Ag14 29.4(12) . . . . ? C3 Ag8 O8 C11 38.8(9) . . . . ? O9 Ag8 O8 C11 -144.5(7) . . . . ? Ag12 Ag8 O8 C11 115.8(7) . . . . ? Ag7 Ag8 O8 C11 15.7(7) . . . . ? Ag1 Ag8 O8 C11 -71.0(8) 1_655 . . . ? Ag6 Ag8 O8 C11 81.3(7) . . . . ? C3 Ag8 O8 Ag14 -174.5(4) . . . . ? O9 Ag8 O8 Ag14 2.2(3) . . . . ? Ag12 Ag8 O8 Ag14 -97.5(2) . . . . ? Ag7 Ag8 O8 Ag14 162.4(2) . . . . ? Ag1 Ag8 O8 Ag14 75.7(3) 1_655 . . . ? Ag6 Ag8 O8 Ag14 -131.9(3) . . . . ? N6 Ag14 O8 C11 37.3(8) 2_755 . . . ? N1 Ag14 O8 C11 -132.6(8) . . . . ? O9 Ag14 O8 C11 139.2(8) . . . . ? N6 Ag14 O8 Ag8 -104.0(4) 2_755 . . . ? N1 Ag14 O8 Ag8 86.1(3) . . . . ? O9 Ag14 O8 Ag8 -2.1(3) . . . . ? O10 C13 O9 Ag8 -9.1(14) . . . . ? C14 C13 O9 Ag8 170.4(7) . . . . ? O10 C13 O9 Ag14 150.5(8) . . . . ? C14 C13 O9 Ag14 -30.1(13) . . . . ? C3 Ag8 O9 C13 -20.0(9) . . . . ? O8 Ag8 O9 C13 162.9(8) . . . . ? Ag12 Ag8 O9 C13 -62.5(8) . . . . ? Ag7 Ag8 O9 C13 99.2(8) . . . . ? Ag1 Ag8 O9 C13 18.2(7) 1_655 . . . ? Ag6 Ag8 O9 C13 -143.1(7) . . . . ? C3 Ag8 O9 Ag14 174.8(3) . . . . ? O8 Ag8 O9 Ag14 -2.3(3) . . . . ? Ag12 Ag8 O9 Ag14 132.3(2) . . . . ? Ag7 Ag8 O9 Ag14 -66.0(6) . . . . ? Ag1 Ag8 O9 Ag14 -147.0(2) 1_655 . . . ? Ag6 Ag8 O9 Ag14 51.7(3) . . . . ? N6 Ag14 O9 C13 -71.9(9) 2_755 . . . ? N1 Ag14 O9 C13 93.4(9) . . . . ? O8 Ag14 O9 C13 -160.2(9) . . . . ? N6 Ag14 O9 Ag8 90.4(4) 2_755 . . . ? N1 Ag14 O9 Ag8 -104.3(3) . . . . ? O8 Ag14 O9 Ag8 2.2(3) . . . . ? O9 C13 O10 Ag1 -11.7(15) . . . 1_655 ? C14 C13 O10 Ag1 168.8(7) . . . 1_655 ? O12 C15 O11 Ag5 -1.4(16) . . . . ? C16 C15 O11 Ag5 -179.2(7) . . . . ? C1 Ag5 O11 C15 -112.3(8) . . . . ? O13 Ag5 O11 C15 62.1(9) . . . . ? Ag6 Ag5 O11 C15 -124.9(9) . . . . ? Ag4 Ag5 O11 C15 50(4) . . . . ? Ag12 Ag5 O11 C15 5.8(8) 1_455 . . . ? Ag1 Ag5 O11 C15 -61.6(9) . . . . ? O11 C15 O12 Ag12 -7.0(16) . . . 1_455 ? C16 C15 O12 Ag12 170.8(7) . . . 1_455 ? O14 C17 O13 Ag5 10.0(13) . . . . ? C18 C17 O13 Ag5 -173.4(6) . . . . ? C1 Ag5 O13 C17 -14.5(8) . . . . ? O11 Ag5 O13 C17 172.4(6) . . . . ? Ag6 Ag5 O13 C17 129.0(8) . . . . ? Ag4 Ag5 O13 C17 -8.4(6) . . . . ? Ag12 Ag5 O13 C17 -114.9(6) 1_455 . . . ? Ag1 Ag5 O13 C17 -70.2(6) . . . . ? O13 C17 O14 Ag4 -3.8(13) . . . . ? C18 C17 O14 Ag4 179.6(6) . . . . ? O20 Ag4 O14 C17 -174.6(7) 1_455 . . . ? C2 Ag4 O14 C17 0.5(12) . . . . ? C1 Ag4 O14 C17 -2.3(8) . . . . ? Ag5 Ag4 O14 C17 -2.8(7) . . . . ? Ag10 Ag4 O14 C17 119.3(7) 1_455 . . . ? Ag3 Ag4 O14 C17 -145.7(5) . . . . ? Ag11 Ag4 O14 C17 105.1(7) 1_455 . . . ? O16 C19 O15 Ag12 0.3(14) . . . . ? C20 C19 O15 Ag12 -179.0(7) . . . . ? C3 Ag12 O15 C19 10.7(9) . . . . ? O12 Ag12 O15 C19 -154.1(8) 1_655 . . . ? Ag8 Ag12 O15 C19 -57.4(9) . . . . ? Ag9 Ag12 O15 C19 13.8(7) . . . . ? Ag5 Ag12 O15 C19 129.3(7) 1_655 . . . ? O15 C19 O16 Ag9 -22.8(14) . . . . ? C20 C19 O16 Ag9 156.5(7) . . . . ? O17 Ag9 O16 C19 -129.7(8) . . . . ? C3 Ag9 O16 C19 38.0(9) . . . . ? C4 Ag9 O16 C19 20.3(11) . . . . ? Ag10 Ag9 O16 C19 -66.0(9) . . . . ? Ag12 Ag9 O16 C19 24.0(7) . . . . ? Ag7 Ag9 O16 C19 105.3(7) . . . . ? Ag6 Ag9 O16 C19 99.3(8) . . . . ? O18 C21 O17 Ag9 24.9(15) . . . . ? C22 C21 O17 Ag9 -152.3(7) . . . . ? O16 Ag9 O17 C21 121.1(8) . . . . ? C3 Ag9 O17 C21 -37.0(11) . . . . ? C4 Ag9 O17 C21 -41.3(9) . . . . ? Ag10 Ag9 O17 C21 -25.0(8) . . . . ? Ag12 Ag9 O17 C21 63.7(10) . . . . ? Ag7 Ag9 O17 C21 -104.1(8) . . . . ? Ag6 Ag9 O17 C21 -179.3(7) . . . . ? O17 C21 O18 Ag10 -2.6(14) . . . . ? C22 C21 O18 Ag10 174.5(7) . . . . ? O17 C21 O18 Ag13 172.8(7) . . . . ? C22 C21 O18 Ag13 -10.1(13) . . . . ? C4 Ag10 O18 C21 -6.6(9) . . . . ? O19 Ag10 O18 C21 174.0(8) . . . . ? Ag11 Ag10 O18 C21 81.6(8) . . . . ? Ag9 Ag10 O18 C21 -12.9(7) . . . . ? Ag4 Ag10 O18 C21 -123.9(7) 1_655 . . . ? C4 Ag10 O18 Ag13 176.9(3) . . . . ? O19 Ag10 O18 Ag13 -2.6(3) . . . . ? Ag11 Ag10 O18 Ag13 -95.0(4) . . . . ? Ag9 Ag10 O18 Ag13 170.5(3) . . . . ? Ag4 Ag10 O18 Ag13 59.6(4) 1_655 . . . ? N5 Ag13 O18 C21 86.8(9) . . . . ? N4 Ag13 O18 C21 -90.0(9) . . . . ? O19 Ag13 O18 C21 -173.5(10) . . . . ? N5 Ag13 O18 Ag10 -97.3(4) . . . . ? N4 Ag13 O18 Ag10 85.9(4) . . . . ? O19 Ag13 O18 Ag10 2.5(3) . . . . ? O20 C23 O19 Ag10 -13.3(14) . . . . ? C24 C23 O19 Ag10 169.2(6) . . . . ? O20 C23 O19 Ag13 148.3(8) . . . . ? C24 C23 O19 Ag13 -29.1(12) . . . . ? C4 Ag10 O19 C23 -10.4(10) . . . . ? O18 Ag10 O19 C23 169.0(8) . . . . ? Ag11 Ag10 O19 C23 -36.4(7) . . . . ? Ag9 Ag10 O19 C23 149.1(5) . . . . ? Ag4 Ag10 O19 C23 29.0(7) 1_655 . . . ? C4 Ag10 O19 Ag13 -176.8(4) . . . . ? O18 Ag10 O19 Ag13 2.6(3) . . . . ? Ag11 Ag10 O19 Ag13 157.20(19) . . . . ? Ag9 Ag10 O19 Ag13 -17.3(7) . . . . ? Ag4 Ag10 O19 Ag13 -137.4(2) 1_655 . . . ? N5 Ag13 O19 C23 -59.4(9) . . . . ? N4 Ag13 O19 C23 94.6(8) . . . . ? O18 Ag13 O19 C23 -166.4(9) . . . . ? N5 Ag13 O19 Ag10 104.5(3) . . . . ? N4 Ag13 O19 Ag10 -101.5(3) . . . . ? O18 Ag13 O19 Ag10 -2.5(3) . . . . ? O19 C23 O20 Ag4 -22.4(14) . . . 1_655 ? C24 C23 O20 Ag4 155.0(7) . . . 1_655 ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 27.94 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 3.261 _refine_diff_density_min -3.365 _refine_diff_density_rms 0.474 _database_code_depnum_ccdc_archive 'CCDC 956803' ####################################################################### # # 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_2 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C56 H16 Ag15 F30 N9 O23' _chemical_formula_weight 3370.83 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 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 19.8943(9) _cell_length_b 26.2204(12) _cell_length_c 17.9454(13) _cell_angle_alpha 90.00 _cell_angle_beta 119.6360(10) _cell_angle_gamma 90.00 _cell_volume 8136.4(8) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 63659 _cell_measurement_theta_min 2.28 _cell_measurement_theta_max 27.94 _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.752 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 6296 _exptl_absorpt_coefficient_mu 3.664 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5584 _exptl_absorpt_correction_T_max 0.7108 _exptl_absorpt_process_details SADABS _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_reflns_number 56209 _diffrn_reflns_av_R_equivalents 0.0747 _diffrn_reflns_av_sigmaI/netI 0.0492 _diffrn_reflns_limit_h_min -26 _diffrn_reflns_limit_h_max 26 _diffrn_reflns_limit_k_min -32 _diffrn_reflns_limit_k_max 34 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 1.41 _diffrn_reflns_theta_max 27.98 _reflns_number_total 9793 _reflns_number_gt 8515 _reflns_threshold_expression >2sigma(I) _computing_data_collection APEX2(Bruker,2003) _computing_cell_refinement SAINT(Bruker,2001) _computing_data_reduction APEX2(Bruker,2003) _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.1057P)^2^+25.0297P] 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 0.00045(4) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 9793 _refine_ls_number_parameters 630 _refine_ls_number_restraints 6 _refine_ls_R_factor_all 0.0623 _refine_ls_R_factor_gt 0.0540 _refine_ls_wR_factor_ref 0.1573 _refine_ls_wR_factor_gt 0.1477 _refine_ls_goodness_of_fit_ref 1.070 _refine_ls_restrained_S_all 1.073 _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 1.13908(2) 1.054775(18) 0.20142(3) 0.03699(13) Uani 1 1 d . . . Ag2 Ag 1.0000 1.06328(3) 0.2500 0.04428(18) Uani 1 2 d S . . Ag3 Ag 0.85293(3) 1.062475(17) 0.06745(3) 0.04096(14) Uani 1 1 d . . . Ag4 Ag 0.88510(2) 0.964186(17) 0.13011(3) 0.03828(14) Uani 1 1 d . . . Ag5 Ag 1.04091(3) 0.935986(17) 0.15269(3) 0.04115(14) Uani 1 1 d . . . Ag6 Ag 1.08234(2) 1.004428(18) 0.04173(3) 0.03632(13) Uani 1 1 d . . . Ag7 Ag 1.00439(3) 1.109960(16) 0.07575(3) 0.03634(13) Uani 1 1 d . . . Ag8 Ag 0.76198(3) 0.851246(19) 0.10425(4) 0.04542(15) Uani 1 1 d . . . C1 C 0.9614(3) 1.0174(2) 0.1181(3) 0.0276(10) Uani 1 1 d . . . C2 C 1.0224(3) 1.0256(2) 0.1170(4) 0.0295(10) Uani 1 1 d . . . C3 C 1.1347(3) 1.1525(2) 0.2983(4) 0.0318(11) Uani 1 1 d . . . C4 C 1.1596(5) 1.2076(3) 0.3323(6) 0.0587(19) Uani 1 1 d . . . C5 C 0.7427(4) 0.9794(3) 0.1434(4) 0.0432(14) Uani 1 1 d . . . C6 C 0.6561(6) 0.9709(4) 0.1174(8) 0.080(3) Uani 1 1 d . . . C7 C 0.8845(3) 0.8688(2) 0.0223(4) 0.0337(11) Uani 1 1 d . . . C8 C 0.8565(5) 0.8171(3) -0.0242(5) 0.0523(17) Uani 1 1 d . . . C9 C 1.1652(4) 0.8887(3) 0.1318(5) 0.0470(15) Uani 1 1 d . . . C10 C 1.2366(8) 0.8561(5) 0.1549(8) 0.097(3) Uani 1 1 d U . . C11 C 1.2503(3) 1.0379(2) 0.1199(3) 0.0301(10) Uani 1 1 d . . . C12 C 1.3320(4) 1.0397(3) 0.1284(4) 0.0473(15) Uani 1 1 d . . . C13 C 0.6794(4) 1.1130(2) -0.0098(4) 0.0378(12) Uani 1 1 d . . . C14 C 0.6045(3) 1.1366(2) -0.0554(4) 0.0370(12) Uani 1 1 d . . . C15 C 0.5417(4) 1.1077(3) -0.1091(5) 0.0505(16) Uani 1 1 d . . . H15 H 0.5471 1.0730 -0.1156 0.061 Uiso 1 1 calc R . . C16 C 0.4699(4) 1.1311(3) -0.1539(6) 0.063(2) Uani 1 1 d . . . H16 H 0.4269 1.1117 -0.1903 0.075 Uiso 1 1 calc R . . C17 C 0.4613(4) 1.1812(3) -0.1454(5) 0.0568(19) Uani 1 1 d . . . H17 H 0.4127 1.1961 -0.1757 0.068 Uiso 1 1 calc R . . C18 C 0.5259(3) 1.2114(2) -0.0907(4) 0.0399(13) Uani 1 1 d . . . C19 C 0.5981(3) 1.1884(2) -0.0455(4) 0.0351(11) Uani 1 1 d . . . H19 H 0.6415 1.2076 -0.0093 0.042 Uiso 1 1 calc R . . C20 C 0.5175(4) 1.2647(2) -0.0848(5) 0.0475(15) Uani 1 1 d . . . C21 C 0.5760(4) 0.8349(2) -0.0488(5) 0.0473(15) Uani 1 1 d . . . C22 C 0.4946(3) 0.8341(2) -0.1072(4) 0.0386(12) Uani 1 1 d . . . C23 C 0.4499(4) 0.8758(2) -0.1100(4) 0.0417(13) Uani 1 1 d . . . H23 H 0.4733 0.9037 -0.0744 0.050 Uiso 1 1 calc R . . C24 C 0.3707(4) 0.8757(3) -0.1658(4) 0.0456(14) Uani 1 1 d . . . H24 H 0.3411 0.9037 -0.1679 0.055 Uiso 1 1 calc R . . C25 C 0.3356(4) 0.8339(3) -0.2186(4) 0.0421(13) Uani 1 1 d . . . H25 H 0.2824 0.8332 -0.2549 0.051 Uiso 1 1 calc R . . C26 C 0.3812(4) 0.7933(2) -0.2162(4) 0.0409(13) Uani 1 1 d . . . C27 C 0.4610(4) 0.7922(2) -0.1597(4) 0.0407(13) Uani 1 1 d . . . H27 H 0.4906 0.7642 -0.1575 0.049 Uiso 1 1 calc R . . C28 C 0.3456(4) 0.7500(3) -0.2720(5) 0.0515(16) Uani 1 1 d . . . F1 F 1.2078(7) 1.2261(3) 0.3137(9) 0.201(7) Uani 1 1 d . . . F2 F 1.1001(4) 1.23923(18) 0.3014(4) 0.0816(17) Uani 1 1 d . . . F3 F 1.1869(4) 1.2097(2) 0.4158(4) 0.108(3) Uani 1 1 d . . . F4 F 0.6267(4) 0.9286(3) 0.0777(6) 0.123(3) Uani 1 1 d . . . F5 F 0.6458(6) 0.9742(3) 0.1828(7) 0.154(5) Uani 1 1 d . . . F6 F 0.6113(4) 1.0098(3) 0.0627(8) 0.137(4) Uani 1 1 d . . . F7 F 0.7939(6) 0.8022(4) -0.0298(7) 0.168(5) Uani 1 1 d . . . F8 F 0.9119(6) 0.78230(19) 0.0170(4) 0.136(4) Uani 1 1 d . . . F9 F 0.8468(3) 0.81795(19) -0.1020(3) 0.0640(12) Uani 1 1 d . . . F10 F 1.2713(4) 0.8375(3) 0.2301(4) 0.115(3) Uani 1 1 d . . . F11 F 1.2347(6) 0.8293(3) 0.0966(6) 0.119(3) Uani 1 1 d . . . F12 F 1.2977(4) 0.8933(5) 0.1631(5) 0.141(4) Uani 1 1 d . . . F13 F 1.3386(8) 1.0116(7) 0.0718(11) 0.081(5) Uani 0.50 1 d P . . F14 F 1.3845(6) 1.0267(9) 0.2028(9) 0.086(5) Uani 0.50 1 d P . . F15 F 1.3467(9) 1.0847(6) 0.1124(16) 0.102(6) Uani 0.50 1 d P . . F13' F 1.3689(8) 0.9936(6) 0.1618(12) 0.086(4) Uani 0.50 1 d P . . F14' F 1.3774(8) 1.0718(9) 0.1783(14) 0.100(6) Uani 0.50 1 d P . . F15' F 1.3305(9) 1.0433(8) 0.0571(10) 0.082(5) Uani 0.50 1 d P . . N1 N 0.7388(3) 1.0949(2) 0.0246(4) 0.0459(12) Uani 1 1 d . . . N2 N 0.5100(3) 1.3079(2) -0.0826(4) 0.0475(13) Uani 1 1 d . . . N3 N 0.6403(4) 0.8362(2) -0.0006(5) 0.0642(19) Uani 1 1 d . . . N4 N 0.3173(4) 0.7162(2) -0.3143(5) 0.0646(19) Uani 1 1 d . . . N5 N 1.0000 0.8553(3) 0.2500 0.0453(18) Uani 1 2 d S . . O1 O 1.1644(3) 1.13583(16) 0.2580(3) 0.0434(10) Uani 1 1 d . . . O2 O 1.0880(3) 1.13267(18) 0.3170(3) 0.0425(9) Uani 1 1 d . . . O3 O 0.7650(3) 1.02228(19) 0.1687(3) 0.0553(13) Uani 1 1 d . . . O4 O 0.7757(3) 0.94282(18) 0.1308(3) 0.0480(11) Uani 1 1 d . . . O5 O 0.8532(3) 0.88369(17) 0.0630(3) 0.0418(10) Uani 1 1 d . . . O6 O 0.9382(3) 0.88984(16) 0.0165(3) 0.0398(9) Uani 1 1 d . . . O7 O 1.1536(4) 0.8962(3) 0.1920(4) 0.0709(18) Uani 1 1 d . . . O8 O 1.1279(3) 0.9033(2) 0.0564(3) 0.0486(11) Uani 1 1 d . . . O9 O 1.2041(2) 1.00790(17) 0.0637(3) 0.0424(10) Uani 1 1 d . . . O10 O 1.2408(3) 1.0658(2) 0.1685(3) 0.0514(12) Uani 1 1 d . . . O11 O 1.0000 0.9042(2) 0.2500 0.0383(12) Uani 1 2 d S . . O12 O 0.9882(4) 0.8327(2) 0.3031(4) 0.0734(18) 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 Ag1 0.0205(2) 0.0408(3) 0.0375(2) -0.01123(17) 0.00515(17) -0.00230(15) Ag2 0.0574(4) 0.0433(4) 0.0280(3) 0.000 0.0179(3) 0.000 Ag3 0.0276(2) 0.0350(3) 0.0558(3) -0.00338(18) 0.0172(2) 0.00878(16) Ag4 0.0272(2) 0.0352(2) 0.0500(3) 0.00432(18) 0.01720(19) -0.00314(16) Ag5 0.0382(3) 0.0314(2) 0.0565(3) 0.00825(18) 0.0255(2) 0.01100(17) Ag6 0.0253(2) 0.0452(3) 0.0368(2) -0.01353(17) 0.01410(18) -0.00757(16) Ag7 0.0367(2) 0.0260(2) 0.0441(3) 0.00751(16) 0.0184(2) 0.00612(15) Ag8 0.0315(2) 0.0379(3) 0.0613(3) 0.0126(2) 0.0187(2) -0.00093(17) C1 0.020(2) 0.026(2) 0.030(2) -0.0023(18) 0.0080(19) 0.0033(18) C2 0.023(2) 0.025(2) 0.038(3) -0.0025(19) 0.013(2) -0.0011(18) C3 0.032(3) 0.025(2) 0.036(3) 0.002(2) 0.015(2) 0.002(2) C4 0.074(5) 0.030(3) 0.089(6) -0.014(3) 0.052(5) -0.009(3) C5 0.044(3) 0.050(4) 0.043(3) -0.015(3) 0.027(3) -0.017(3) C6 0.094(7) 0.059(5) 0.137(9) -0.052(6) 0.096(8) -0.035(5) C7 0.025(2) 0.032(3) 0.038(3) -0.003(2) 0.011(2) -0.004(2) C8 0.061(4) 0.044(4) 0.054(4) -0.013(3) 0.030(3) -0.021(3) C9 0.041(3) 0.049(4) 0.048(3) 0.012(3) 0.020(3) 0.019(3) C10 0.104(7) 0.125(7) 0.082(6) 0.034(5) 0.061(5) 0.062(6) C11 0.024(2) 0.036(3) 0.031(2) 0.000(2) 0.013(2) -0.002(2) C12 0.031(3) 0.067(5) 0.046(3) -0.006(3) 0.020(3) -0.002(3) C13 0.037(3) 0.032(3) 0.046(3) 0.005(2) 0.022(3) 0.008(2) C14 0.034(3) 0.033(3) 0.049(3) 0.012(2) 0.024(3) 0.008(2) C15 0.043(4) 0.031(3) 0.070(5) 0.005(3) 0.023(3) 0.001(3) C16 0.035(3) 0.051(4) 0.083(6) 0.009(4) 0.015(4) -0.009(3) C17 0.026(3) 0.054(4) 0.076(5) 0.025(4) 0.015(3) 0.005(3) C18 0.034(3) 0.030(3) 0.062(4) 0.015(3) 0.027(3) 0.011(2) C19 0.031(3) 0.031(3) 0.045(3) 0.006(2) 0.021(2) 0.004(2) C20 0.041(3) 0.036(3) 0.074(5) 0.013(3) 0.035(3) 0.008(3) C21 0.038(3) 0.029(3) 0.060(4) -0.006(3) 0.013(3) -0.002(2) C22 0.033(3) 0.029(3) 0.041(3) 0.003(2) 0.009(2) 0.001(2) C23 0.036(3) 0.038(3) 0.038(3) -0.006(2) 0.008(2) 0.003(2) C24 0.040(3) 0.044(3) 0.043(3) 0.000(3) 0.014(3) 0.010(3) C25 0.032(3) 0.044(3) 0.038(3) 0.000(2) 0.007(2) 0.000(2) C26 0.037(3) 0.033(3) 0.037(3) 0.003(2) 0.006(2) -0.002(2) C27 0.035(3) 0.036(3) 0.038(3) -0.001(2) 0.008(2) 0.006(2) C28 0.041(3) 0.043(4) 0.048(4) -0.002(3) 0.005(3) -0.002(3) F1 0.261(11) 0.084(5) 0.435(18) -0.147(8) 0.306(14) -0.116(6) F2 0.127(5) 0.037(2) 0.078(3) 0.003(2) 0.049(3) 0.019(3) F3 0.107(5) 0.072(4) 0.073(3) -0.041(3) -0.011(3) 0.016(3) F4 0.081(4) 0.112(5) 0.222(8) -0.114(6) 0.111(5) -0.065(4) F5 0.208(10) 0.149(7) 0.224(10) -0.111(7) 0.197(9) -0.108(7) F6 0.056(4) 0.101(5) 0.248(11) -0.032(6) 0.070(5) 0.000(4) F7 0.182(8) 0.183(8) 0.238(10) -0.167(8) 0.180(9) -0.151(7) F8 0.229(9) 0.033(3) 0.059(3) 0.001(2) 0.004(4) 0.008(4) F9 0.070(3) 0.062(3) 0.045(2) -0.0157(19) 0.017(2) -0.006(2) F10 0.083(4) 0.174(7) 0.098(4) 0.080(5) 0.052(4) 0.087(5) F11 0.173(7) 0.079(4) 0.151(7) 0.030(4) 0.116(6) 0.070(5) F12 0.069(4) 0.267(12) 0.086(5) 0.045(6) 0.037(4) 0.058(6) F13 0.051(6) 0.117(12) 0.093(11) -0.054(10) 0.050(8) -0.022(8) F14 0.028(5) 0.160(16) 0.065(7) 0.046(9) 0.019(5) 0.020(8) F15 0.076(9) 0.078(9) 0.180(17) 0.028(11) 0.085(11) -0.021(7) F13' 0.049(7) 0.095(10) 0.123(13) 0.037(8) 0.050(8) 0.035(7) F14' 0.054(7) 0.135(14) 0.131(12) -0.097(12) 0.061(9) -0.049(9) F15' 0.071(8) 0.124(13) 0.076(8) -0.004(11) 0.056(7) -0.021(10) N1 0.036(3) 0.042(3) 0.052(3) 0.004(2) 0.017(2) 0.013(2) N2 0.046(3) 0.029(3) 0.074(4) 0.008(2) 0.034(3) 0.010(2) N3 0.037(3) 0.037(3) 0.088(5) -0.011(3) 0.008(3) -0.003(2) N4 0.052(4) 0.042(3) 0.064(4) -0.013(3) 0.002(3) 0.001(3) N5 0.038(4) 0.038(4) 0.039(4) 0.000 0.003(3) 0.000 O1 0.053(3) 0.031(2) 0.057(3) -0.0042(18) 0.035(2) -0.0036(19) O2 0.039(2) 0.044(2) 0.045(2) -0.0004(19) 0.0212(19) -0.0031(19) O3 0.054(3) 0.043(3) 0.048(3) -0.011(2) 0.009(2) -0.016(2) O4 0.043(3) 0.045(3) 0.063(3) -0.004(2) 0.031(2) -0.013(2) O5 0.036(2) 0.039(2) 0.054(3) -0.0078(19) 0.025(2) -0.0089(17) O6 0.038(2) 0.039(2) 0.042(2) -0.0067(17) 0.0198(19) -0.0088(17) O7 0.059(3) 0.092(4) 0.052(3) 0.013(3) 0.021(3) 0.041(3) O8 0.029(2) 0.060(3) 0.047(2) 0.014(2) 0.0115(19) 0.005(2) O9 0.0254(19) 0.048(2) 0.050(2) -0.020(2) 0.0151(18) -0.0046(17) O10 0.041(2) 0.061(3) 0.062(3) -0.028(2) 0.033(2) -0.020(2) O11 0.038(3) 0.035(3) 0.035(3) 0.000 0.013(2) 0.000 O12 0.074(4) 0.057(3) 0.062(3) 0.009(3) 0.012(3) -0.028(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 C2 2.189(5) . ? Ag1 O1 2.301(4) . ? Ag1 O3 2.324(5) 2_755 ? Ag1 O10 2.389(5) . ? Ag1 Ag6 2.8338(6) . ? Ag1 Ag7 2.8954(6) . ? Ag1 Ag2 3.2940(5) . ? Ag2 O2 2.395(5) . ? Ag2 O2 2.395(5) 2_755 ? Ag2 C1 2.416(5) . ? Ag2 C1 2.416(5) 2_755 ? Ag2 Ag3 3.1327(5) 2_755 ? Ag2 Ag3 3.1327(5) . ? Ag2 Ag1 3.2940(5) 2_755 ? Ag3 N1 2.177(5) . ? Ag3 C1 2.222(5) . ? Ag3 O2 2.580(5) 2_755 ? Ag3 O8 2.595(5) 5_775 ? Ag3 Ag4 2.7576(7) . ? Ag3 Ag7 3.1949(7) . ? Ag3 Ag6 3.3271(6) 5_775 ? Ag4 C1 2.149(5) . ? Ag4 O4 2.254(4) . ? Ag4 O5 2.357(4) . ? Ag4 Ag5 3.0128(6) . ? Ag5 O7 2.245(5) . ? Ag5 O11 2.411(2) . ? Ag5 C2 2.416(5) . ? Ag5 C1 2.545(5) . ? Ag5 O6 2.584(4) . ? Ag5 Ag6 3.0802(7) . ? Ag6 O9 2.256(4) . ? Ag6 C2 2.268(5) . ? Ag6 C1 2.617(5) 5_775 ? Ag6 C2 2.684(5) 5_775 ? Ag6 Ag6 2.8595(8) 5_775 ? Ag6 Ag3 3.3271(6) 5_775 ? Ag6 Ag7 3.3720(6) . ? Ag7 N2 2.184(5) 7_675 ? Ag7 C2 2.303(5) . ? Ag7 O6 2.431(4) 5_775 ? Ag7 O8 2.549(5) 5_775 ? Ag8 N4 2.210(6) 8_566 ? Ag8 N3 2.247(6) . ? Ag8 O5 2.429(4) . ? Ag8 O4 2.437(5) . ? C1 C2 1.243(7) . ? C1 Ag6 2.617(5) 5_775 ? C2 Ag6 2.684(5) 5_775 ? C3 O1 1.220(7) . ? C3 O2 1.247(7) . ? C3 C4 1.550(8) . ? C4 F1 1.261(10) . ? C4 F3 1.318(11) . ? C4 F2 1.322(10) . ? C5 O3 1.212(8) . ? C5 O4 1.244(8) . ? C5 C6 1.563(11) . ? C6 F5 1.291(12) . ? C6 F4 1.293(9) . ? C6 F6 1.390(16) . ? C7 O5 1.232(7) . ? C7 O6 1.253(7) . ? C7 C8 1.545(8) . ? C8 F7 1.262(9) . ? C8 F9 1.311(9) . ? C8 F8 1.337(11) . ? C9 O7 1.228(9) . ? C9 O8 1.239(8) . ? C9 C10 1.529(12) . ? C10 F11 1.245(14) . ? C10 F10 1.271(12) . ? C10 F12 1.507(18) . ? C11 O10 1.223(7) . ? C11 O9 1.250(7) . ? C11 C12 1.557(8) . ? C12 F14' 1.235(13) . ? C12 F14 1.270(13) . ? C12 F15' 1.269(15) . ? C12 F15 1.283(14) . ? C12 F13 1.313(14) . ? C12 F13' 1.386(15) . ? C13 N1 1.131(8) . ? C13 C14 1.439(8) . ? C14 C15 1.368(10) . ? C14 C19 1.384(8) . ? C15 C16 1.389(10) . ? C16 C17 1.344(12) . ? C17 C18 1.411(10) . ? C18 C19 1.389(8) . ? C18 C20 1.418(9) . ? C20 N2 1.146(8) . ? C21 N3 1.136(9) . ? C21 C22 1.430(9) . ? C22 C27 1.385(8) . ? C22 C23 1.394(9) . ? C23 C24 1.388(9) . ? C24 C25 1.390(9) . ? C25 C26 1.387(9) . ? C26 C27 1.398(8) . ? C26 C28 1.446(9) . ? C28 N4 1.120(9) . ? F13 F15' 0.861(18) . ? F13 F13' 1.49(2) . ? F14 F13' 1.08(2) . ? F14 F14' 1.25(3) . ? F15 F14' 1.08(2) . ? F15 F15' 1.40(3) . ? N2 Ag7 2.184(5) 7_675 ? N4 Ag8 2.210(6) 8_465 ? N5 O12 1.240(7) . ? N5 O12 1.240(7) 2_755 ? N5 O11 1.280(10) . ? O2 Ag3 2.580(5) 2_755 ? O3 Ag1 2.324(5) 2_755 ? O6 Ag7 2.431(4) 5_775 ? O8 Ag7 2.549(5) 5_775 ? O8 Ag3 2.595(5) 5_775 ? O11 Ag5 2.411(2) 2_755 ? 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 C2 Ag1 O1 123.63(18) . . ? C2 Ag1 O3 129.1(2) . 2_755 ? O1 Ag1 O3 90.25(18) . 2_755 ? C2 Ag1 O10 127.53(19) . . ? O1 Ag1 O10 88.25(16) . . ? O3 Ag1 O10 85.2(2) 2_755 . ? C2 Ag1 Ag6 51.77(14) . . ? O1 Ag1 Ag6 140.09(12) . . ? O3 Ag1 Ag6 124.22(13) 2_755 . ? O10 Ag1 Ag6 76.66(11) . . ? C2 Ag1 Ag7 51.61(14) . . ? O1 Ag1 Ag7 78.36(13) . . ? O3 Ag1 Ag7 161.62(14) 2_755 . ? O10 Ag1 Ag7 108.52(15) . . ? Ag6 Ag1 Ag7 72.102(17) . . ? C2 Ag1 Ag2 57.65(14) . . ? O1 Ag1 Ag2 81.38(11) . . ? O3 Ag1 Ag2 98.04(15) 2_755 . ? O10 Ag1 Ag2 169.12(13) . . ? Ag6 Ag1 Ag2 109.419(16) . . ? Ag7 Ag1 Ag2 66.258(14) . . ? O2 Ag2 O2 81.1(2) . 2_755 ? O2 Ag2 C1 132.00(17) . . ? O2 Ag2 C1 94.97(16) 2_755 . ? O2 Ag2 C1 94.97(16) . 2_755 ? O2 Ag2 C1 132.01(16) 2_755 2_755 ? C1 Ag2 C1 120.3(3) . 2_755 ? O2 Ag2 Ag3 53.66(11) . 2_755 ? O2 Ag2 Ag3 127.07(11) 2_755 2_755 ? C1 Ag2 Ag3 134.52(12) . 2_755 ? C1 Ag2 Ag3 44.94(11) 2_755 2_755 ? O2 Ag2 Ag3 127.07(11) . . ? O2 Ag2 Ag3 53.66(11) 2_755 . ? C1 Ag2 Ag3 44.94(11) . . ? C1 Ag2 Ag3 134.52(12) 2_755 . ? Ag3 Ag2 Ag3 179.23(3) 2_755 . ? O2 Ag2 Ag1 114.79(11) . 2_755 ? O2 Ag2 Ag1 71.55(11) 2_755 2_755 ? C1 Ag2 Ag1 108.88(12) . 2_755 ? C1 Ag2 Ag1 66.99(12) 2_755 2_755 ? Ag3 Ag2 Ag1 101.254(12) 2_755 2_755 ? Ag3 Ag2 Ag1 78.693(13) . 2_755 ? O2 Ag2 Ag1 71.54(11) . . ? O2 Ag2 Ag1 114.79(11) 2_755 . ? C1 Ag2 Ag1 66.99(12) . . ? C1 Ag2 Ag1 108.88(12) 2_755 . ? Ag3 Ag2 Ag1 78.693(13) 2_755 . ? Ag3 Ag2 Ag1 101.255(13) . . ? Ag1 Ag2 Ag1 172.24(3) 2_755 . ? N1 Ag3 C1 169.7(2) . . ? N1 Ag3 O2 89.21(19) . 2_755 ? C1 Ag3 O2 94.92(16) . 2_755 ? N1 Ag3 O8 97.55(19) . 5_775 ? C1 Ag3 O8 90.61(17) . 5_775 ? O2 Ag3 O8 103.88(16) 2_755 5_775 ? N1 Ag3 Ag4 120.03(16) . . ? C1 Ag3 Ag4 49.73(14) . . ? O2 Ag3 Ag4 114.66(11) 2_755 . ? O8 Ag3 Ag4 124.77(12) 5_775 . ? N1 Ag3 Ag2 129.65(16) . . ? C1 Ag3 Ag2 50.18(13) . . ? O2 Ag3 Ag2 48.40(10) 2_755 . ? O8 Ag3 Ag2 115.89(10) 5_775 . ? Ag4 Ag3 Ag2 70.81(2) . . ? N1 Ag3 Ag7 131.19(16) . . ? C1 Ag3 Ag7 59.04(14) . . ? O2 Ag3 Ag7 68.90(10) 2_755 . ? O8 Ag3 Ag7 50.97(10) 5_775 . ? Ag4 Ag3 Ag7 108.772(17) . . ? Ag2 Ag3 Ag7 64.976(14) . . ? N1 Ag3 Ag6 129.62(16) . 5_775 ? C1 Ag3 Ag6 51.73(13) . 5_775 ? O2 Ag3 Ag6 133.95(10) 2_755 5_775 ? O8 Ag3 Ag6 54.16(12) 5_775 5_775 ? Ag4 Ag3 Ag6 70.611(16) . 5_775 ? Ag2 Ag3 Ag6 100.719(16) . 5_775 ? Ag7 Ag3 Ag6 66.557(14) . 5_775 ? C1 Ag4 O4 153.32(18) . . ? C1 Ag4 O5 123.74(17) . . ? O4 Ag4 O5 76.32(16) . . ? C1 Ag4 Ag3 52.06(13) . . ? O4 Ag4 Ag3 101.80(13) . . ? O5 Ag4 Ag3 132.77(12) . . ? C1 Ag4 Ag5 56.13(13) . . ? O4 Ag4 Ag5 150.53(13) . . ? O5 Ag4 Ag5 81.24(10) . . ? Ag3 Ag4 Ag5 107.465(18) . . ? O7 Ag5 O11 104.69(19) . . ? O7 Ag5 C2 122.2(2) . . ? O11 Ag5 C2 117.85(18) . . ? O7 Ag5 C1 150.4(2) . . ? O11 Ag5 C1 94.30(17) . . ? C2 Ag5 C1 28.88(17) . . ? O7 Ag5 O6 106.2(2) . . ? O11 Ag5 O6 97.53(12) . . ? C2 Ag5 O6 105.01(16) . . ? C1 Ag5 O6 93.26(15) . . ? O7 Ag5 Ag4 163.08(19) . . ? O11 Ag5 Ag4 59.27(7) . . ? C2 Ag5 Ag4 73.38(12) . . ? C1 Ag5 Ag4 44.52(12) . . ? O6 Ag5 Ag4 73.02(10) . . ? O7 Ag5 Ag6 85.93(18) . . ? O11 Ag5 Ag6 164.55(13) . . ? C2 Ag5 Ag6 46.85(13) . . ? C1 Ag5 Ag6 71.73(12) . . ? O6 Ag5 Ag6 90.02(10) . . ? Ag4 Ag5 Ag6 110.882(18) . . ? O9 Ag6 C2 136.17(17) . . ? O9 Ag6 C1 86.91(16) . 5_775 ? C2 Ag6 C1 135.94(17) . 5_775 ? O9 Ag6 C2 113.59(16) . 5_775 ? C2 Ag6 C2 110.04(15) . 5_775 ? C1 Ag6 C2 27.09(16) 5_775 5_775 ? O9 Ag6 Ag1 87.04(11) . . ? C2 Ag6 Ag1 49.29(13) . . ? C1 Ag6 Ag1 163.94(12) 5_775 . ? C2 Ag6 Ag1 157.19(11) 5_775 . ? O9 Ag6 Ag6 161.44(12) . 5_775 ? C2 Ag6 Ag6 61.86(13) . 5_775 ? C1 Ag6 Ag6 74.60(11) 5_775 5_775 ? C2 Ag6 Ag6 48.18(11) 5_775 5_775 ? Ag1 Ag6 Ag6 110.35(2) . 5_775 ? O9 Ag6 Ag5 121.21(13) . . ? C2 Ag6 Ag5 51.00(13) . . ? C1 Ag6 Ag5 122.08(12) 5_775 . ? C2 Ag6 Ag5 101.50(11) 5_775 . ? Ag1 Ag6 Ag5 73.608(18) . . ? Ag6 Ag6 Ag5 71.81(2) 5_775 . ? O9 Ag6 Ag3 55.18(11) . 5_775 ? C2 Ag6 Ag3 161.83(13) . 5_775 ? C1 Ag6 Ag3 41.80(11) 5_775 5_775 ? C2 Ag6 Ag3 62.86(11) 5_775 5_775 ? Ag1 Ag6 Ag3 139.863(19) . 5_775 ? Ag6 Ag6 Ag3 109.00(2) 5_775 5_775 ? Ag5 Ag6 Ag3 112.252(19) . 5_775 ? O9 Ag6 Ag7 119.06(11) . . ? C2 Ag6 Ag7 42.86(13) . . ? C1 Ag6 Ag7 116.42(11) 5_775 . ? C2 Ag6 Ag7 104.35(11) 5_775 . ? Ag1 Ag6 Ag7 54.796(14) . . ? Ag6 Ag6 Ag7 69.580(19) 5_775 . ? Ag5 Ag6 Ag7 93.845(16) . . ? Ag3 Ag6 Ag7 152.36(2) 5_775 . ? N2 Ag7 C2 158.9(2) 7_675 . ? N2 Ag7 O6 98.91(19) 7_675 5_775 ? C2 Ag7 O6 99.77(17) . 5_775 ? N2 Ag7 O8 94.8(2) 7_675 5_775 ? C2 Ag7 O8 95.37(17) . 5_775 ? O6 Ag7 O8 89.04(15) 5_775 5_775 ? N2 Ag7 Ag1 123.05(17) 7_675 . ? C2 Ag7 Ag1 48.15(13) . . ? O6 Ag7 Ag1 88.04(11) 5_775 . ? O8 Ag7 Ag1 142.08(12) 5_775 . ? N2 Ag7 Ag3 103.90(15) 7_675 . ? C2 Ag7 Ag3 68.54(13) . . ? O6 Ag7 Ag3 135.94(10) 5_775 . ? O8 Ag7 Ag3 52.25(11) 5_775 . ? Ag1 Ag7 Ag3 109.256(18) . . ? N2 Ag7 Ag6 154.71(15) 7_675 . ? C2 Ag7 Ag6 42.07(13) . . ? O6 Ag7 Ag6 57.70(10) 5_775 . ? O8 Ag7 Ag6 94.34(12) 5_775 . ? Ag1 Ag7 Ag6 53.102(13) . . ? Ag3 Ag7 Ag6 100.330(16) . . ? N4 Ag8 N3 113.0(2) 8_566 . ? N4 Ag8 O5 106.2(2) 8_566 . ? N3 Ag8 O5 117.6(2) . . ? N4 Ag8 O4 133.5(2) 8_566 . ? N3 Ag8 O4 107.9(2) . . ? O5 Ag8 O4 71.71(15) . . ? C2 C1 Ag4 149.0(4) . . ? C2 C1 Ag3 131.3(4) . . ? Ag4 C1 Ag3 78.21(16) . . ? C2 C1 Ag2 95.2(4) . . ? Ag4 C1 Ag2 97.1(2) . . ? Ag3 C1 Ag2 84.88(16) . . ? C2 C1 Ag5 69.8(3) . . ? Ag4 C1 Ag5 79.35(17) . . ? Ag3 C1 Ag5 155.0(2) . . ? Ag2 C1 Ag5 108.70(19) . . ? C2 C1 Ag6 79.5(3) . 5_775 ? Ag4 C1 Ag6 95.68(18) . 5_775 ? Ag3 C1 Ag6 86.47(16) . 5_775 ? Ag2 C1 Ag6 162.8(2) . 5_775 ? Ag5 C1 Ag6 85.00(15) . 5_775 ? C1 C2 Ag1 139.3(4) . . ? C1 C2 Ag6 140.6(4) . . ? Ag1 C2 Ag6 78.94(17) . . ? C1 C2 Ag7 100.0(4) . . ? Ag1 C2 Ag7 80.24(17) . . ? Ag6 C2 Ag7 95.1(2) . . ? C1 C2 Ag5 81.3(3) . . ? Ag1 C2 Ag5 100.7(2) . . ? Ag6 C2 Ag5 82.16(17) . . ? Ag7 C2 Ag5 176.8(3) . . ? C1 C2 Ag6 73.4(3) . 5_775 ? Ag1 C2 Ag6 147.0(2) . 5_775 ? Ag6 C2 Ag6 69.96(15) . 5_775 ? Ag7 C2 Ag6 91.45(18) . 5_775 ? Ag5 C2 Ag6 86.13(16) . 5_775 ? O1 C3 O2 130.9(5) . . ? O1 C3 C4 114.4(5) . . ? O2 C3 C4 114.7(5) . . ? F1 C4 F3 110.2(10) . . ? F1 C4 F2 106.7(9) . . ? F3 C4 F2 103.3(6) . . ? F1 C4 C3 113.1(6) . . ? F3 C4 C3 111.0(7) . . ? F2 C4 C3 112.0(7) . . ? O3 C5 O4 130.9(6) . . ? O3 C5 C6 112.9(7) . . ? O4 C5 C6 116.1(6) . . ? F5 C6 F4 109.1(8) . . ? F5 C6 F6 105.0(9) . . ? F4 C6 F6 106.5(11) . . ? F5 C6 C5 111.5(10) . . ? F4 C6 C5 114.7(7) . . ? F6 C6 C5 109.5(7) . . ? O5 C7 O6 127.7(5) . . ? O5 C7 C8 116.5(5) . . ? O6 C7 C8 115.8(5) . . ? F7 C8 F9 107.5(7) . . ? F7 C8 F8 110.0(9) . . ? F9 C8 F8 104.4(7) . . ? F7 C8 C7 113.1(7) . . ? F9 C8 C7 112.7(6) . . ? F8 C8 C7 108.8(6) . . ? O7 C9 O8 129.7(6) . . ? O7 C9 C10 114.0(7) . . ? O8 C9 C10 116.3(7) . . ? F11 C10 F10 116.9(10) . . ? F11 C10 F12 97.8(9) . . ? F10 C10 F12 99.0(11) . . ? F11 C10 C9 116.7(10) . . ? F10 C10 C9 116.4(8) . . ? F12 C10 C9 105.2(9) . . ? O10 C11 O9 130.0(5) . . ? O10 C11 C12 115.7(5) . . ? O9 C11 C12 114.3(5) . . ? F14' C12 F14 59.6(13) . . ? F14' C12 F15' 108.9(14) . . ? F14 C12 F15' 132.7(11) . . ? F14' C12 F15 50.9(12) . . ? F14 C12 F15 108.8(13) . . ? F15' C12 F15 66.4(13) . . ? F14' C12 F13 128.7(9) . . ? F14 C12 F13 108.6(13) . . ? F15' C12 F13 38.9(8) . . ? F15 C12 F13 102.8(13) . . ? F14' C12 F13' 103.8(14) . . ? F14 C12 F13' 47.7(10) . . ? F15' C12 F13' 104.1(12) . . ? F15 C12 F13' 140.1(10) . . ? F13 C12 F13' 67.2(11) . . ? F14' C12 C11 116.4(7) . . ? F14 C12 C11 111.7(7) . . ? F15' C12 C11 113.7(9) . . ? F15 C12 C11 110.4(8) . . ? F13 C12 C11 114.1(8) . . ? F13' C12 C11 108.7(8) . . ? N1 C13 C14 178.2(7) . . ? C15 C14 C19 121.6(6) . . ? C15 C14 C13 119.4(6) . . ? C19 C14 C13 119.0(6) . . ? C14 C15 C16 118.9(6) . . ? C17 C16 C15 121.1(7) . . ? C16 C17 C18 120.3(6) . . ? C19 C18 C17 119.1(6) . . ? C19 C18 C20 120.7(6) . . ? C17 C18 C20 120.2(6) . . ? C14 C19 C18 118.9(6) . . ? N2 C20 C18 177.9(8) . . ? N3 C21 C22 178.0(9) . . ? C27 C22 C23 120.8(6) . . ? C27 C22 C21 120.1(6) . . ? C23 C22 C21 119.1(6) . . ? C24 C23 C22 120.0(6) . . ? C23 C24 C25 120.1(6) . . ? C26 C25 C24 119.0(6) . . ? C25 C26 C27 121.9(6) . . ? C25 C26 C28 119.5(6) . . ? C27 C26 C28 118.6(6) . . ? C22 C27 C26 118.1(6) . . ? N4 C28 C26 178.7(10) . . ? F15' F13 C12 67.8(15) . . ? F15' F13 F13' 123(2) . . ? C12 F13 F13' 58.7(9) . . ? F13' F14 F14' 125.2(16) . . ? F13' F14 C12 71.8(12) . . ? F14' F14 C12 58.8(9) . . ? F14' F15 C12 62.3(10) . . ? F14' F15 F15' 109.9(16) . . ? C12 F15 F15' 56.3(9) . . ? F14 F13' C12 60.5(10) . . ? F14 F13' F13 108.1(14) . . ? C12 F13' F13 54.1(8) . . ? F15 F14' C12 66.8(11) . . ? F15 F14' F14 126.0(16) . . ? C12 F14' F14 61.6(10) . . ? F13 F15' C12 73.3(16) . . ? F13 F15' F15 126(2) . . ? C12 F15' F15 57.3(10) . . ? C13 N1 Ag3 168.9(6) . . ? C20 N2 Ag7 178.7(6) . 7_675 ? C21 N3 Ag8 169.5(6) . . ? C28 N4 Ag8 179.0(7) . 8_465 ? O12 N5 O12 122.7(9) . 2_755 ? O12 N5 O11 118.6(5) . . ? O12 N5 O11 118.6(5) 2_755 . ? C3 O1 Ag1 121.9(4) . . ? C3 O2 Ag2 129.7(4) . . ? C3 O2 Ag3 114.2(4) . 2_755 ? Ag2 O2 Ag3 77.94(13) . 2_755 ? C5 O3 Ag1 133.1(5) . 2_755 ? C5 O4 Ag4 114.0(4) . . ? C5 O4 Ag8 141.0(4) . . ? Ag4 O4 Ag8 105.01(19) . . ? C7 O5 Ag4 119.9(4) . . ? C7 O5 Ag8 137.9(4) . . ? Ag4 O5 Ag8 102.15(16) . . ? C7 O6 Ag7 140.0(4) . 5_775 ? C7 O6 Ag5 115.8(4) . . ? Ag7 O6 Ag5 103.01(15) 5_775 . ? C9 O7 Ag5 113.1(4) . . ? C9 O8 Ag7 139.4(5) . 5_775 ? C9 O8 Ag3 141.3(5) . 5_775 ? Ag7 O8 Ag3 76.78(13) 5_775 5_775 ? C11 O9 Ag6 117.5(4) . . ? C11 O10 Ag1 123.5(4) . . ? N5 O11 Ag5 110.25(13) . . ? N5 O11 Ag5 110.25(13) . 2_755 ? Ag5 O11 Ag5 139.5(3) . 2_755 ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 27.98 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 2.459 _refine_diff_density_min -2.238 _refine_diff_density_rms 0.491 _database_code_depnum_ccdc_archive 'CCDC 956804' ####################################################################### # # 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 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C22 H12 Ag6 F6 O13' _chemical_formula_weight 1245.54 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' 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 P21/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 6.9041(5) _cell_length_b 18.7425(16) _cell_length_c 22.4191(19) _cell_angle_alpha 90.00 _cell_angle_beta 97.6870(10) _cell_angle_gamma 90.00 _cell_volume 2875.0(4) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 28211 _cell_measurement_theta_min 2.358 _cell_measurement_theta_max 28.026 _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.11 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.878 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2336 _exptl_absorpt_coefficient_mu 4.112 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5775 _exptl_absorpt_correction_T_max 0.6605 _exptl_absorpt_process_details SADABS _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_reflns_number 26954 _diffrn_reflns_av_R_equivalents 0.0815 _diffrn_reflns_av_sigmaI/netI 0.0684 _diffrn_reflns_limit_h_min -5 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_theta_min 2.13 _diffrn_reflns_theta_max 28.08 _reflns_number_total 6962 _reflns_number_gt 5746 _reflns_threshold_expression >2sigma(I) _computing_data_collection APEX2(Bruker,2003) _computing_cell_refinement SAINT(Bruker,2001) _computing_data_reduction APEX2(Bruker,2003) _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0733P)^2^+4.8375P] 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 6962 _refine_ls_number_parameters 456 _refine_ls_number_restraints 12 _refine_ls_R_factor_all 0.0589 _refine_ls_R_factor_gt 0.0483 _refine_ls_wR_factor_ref 0.1360 _refine_ls_wR_factor_gt 0.1261 _refine_ls_goodness_of_fit_ref 1.022 _refine_ls_restrained_S_all 1.502 _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 Ag1 Ag 0.85167(11) 0.86231(4) 0.58521(4) 0.0434(2) Uani 1 1 d . . 1 Ag2 Ag 0.57372(10) 0.94743(4) 0.64658(3) 0.03677(19) Uani 1 1 d . . 1 Ag3 Ag 0.47708(9) 0.92574(3) 0.50706(3) 0.02958(18) Uani 1 1 d . . 1 Ag4 Ag 1.13064(9) 0.97516(4) 0.55742(3) 0.03568(19) Uani 1 1 d . . 1 Ag5 Ag 0.91701(10) 1.13292(4) 0.54856(3) 0.03514(19) Uani 1 1 d . . 1 Ag6 Ag 0.9118(2) 1.03499(6) 0.67111(4) 0.0795(4) Uani 1 1 d U . 1 C1 C 0.7520(12) 0.9710(4) 0.5754(4) 0.0291(16) Uani 1 1 d . . 1 C2 C 0.7998(12) 1.0293(4) 0.5556(4) 0.0293(16) Uani 1 1 d . . 1 C3 C 0.6307(16) 0.9812(5) 0.7749(4) 0.042(2) Uani 1 1 d . A 1 C4 C 0.6017(19) 0.9787(7) 0.8431(6) 0.056(3) Uani 1 1 d U A 1 C5 C 0.9183(14) 0.7275(5) 0.5000(4) 0.0353(18) Uani 1 1 d . . 1 C6 C 0.8638(19) 0.6481(6) 0.4919(5) 0.052(3) Uani 1 1 d . . 1 C7 C 0.6426(11) 0.9056(5) 0.3808(4) 0.0317(17) Uani 1 1 d . . 1 C8 C 0.5370(11) 0.8390(4) 0.3573(4) 0.0275(16) Uani 1 1 d . . 1 C9 C 0.4971(11) 0.8295(4) 0.2948(3) 0.0260(15) Uani 1 1 d . . 1 H9 H 0.5237 0.8659 0.2689 0.031 Uiso 1 1 calc R . 1 C10 C 0.4178(12) 0.7656(5) 0.2716(3) 0.0288(16) Uani 1 1 d . . 1 C11 C 0.3757(14) 0.7110(5) 0.3107(4) 0.0352(18) Uani 1 1 d . . 1 H11 H 0.3251 0.6679 0.2951 0.042 Uiso 1 1 calc R . 1 C12 C 0.4090(15) 0.7210(5) 0.3721(4) 0.041(2) Uani 1 1 d . . 1 H12 H 0.3750 0.6855 0.3977 0.049 Uiso 1 1 calc R . 1 C13 C 0.4935(13) 0.7841(5) 0.3958(4) 0.0338(18) Uani 1 1 d . . 1 H13 H 0.5211 0.7898 0.4373 0.041 Uiso 1 1 calc R . 1 C14 C 0.3874(11) 0.7511(4) 0.2051(4) 0.0289(16) Uani 1 1 d . . 1 C15 C 0.3412(11) 0.8183(4) 0.5935(4) 0.0292(16) Uani 1 1 d . . 1 C16 C 0.3610(12) 0.7533(4) 0.6335(3) 0.0284(16) Uani 1 1 d . . 1 C17 C 0.3588(13) 0.6853(5) 0.6076(4) 0.0347(18) Uani 1 1 d . . 1 H17 H 0.3470 0.6801 0.5660 0.042 Uiso 1 1 calc R . 1 C18 C 0.3745(15) 0.6255(5) 0.6448(4) 0.040(2) Uani 1 1 d . . 1 H18 H 0.3697 0.5801 0.6279 0.047 Uiso 1 1 calc R . 1 C19 C 0.3972(13) 0.6333(4) 0.7066(4) 0.0342(18) Uani 1 1 d . . 1 H19 H 0.4062 0.5931 0.7310 0.041 Uiso 1 1 calc R . 1 C20 C 0.4068(11) 0.7014(4) 0.7328(3) 0.0253(15) Uani 1 1 d . . 1 C21 C 0.3825(12) 0.7608(4) 0.6955(3) 0.0278(15) Uani 1 1 d . . 1 H21 H 0.3805 0.8061 0.7123 0.033 Uiso 1 1 calc R . 1 C22 C 0.4410(11) 0.7071(4) 0.8001(3) 0.0280(16) Uani 1 1 d . . 1 F1 F 0.638(9) 1.0364(14) 0.8700(13) 0.115(17) Uani 0.50 1 d P A 1 F2 F 0.400(3) 0.968(3) 0.8457(9) 0.107(8) Uani 0.50 1 d P A 1 F3 F 0.675(8) 0.928(2) 0.8708(14) 0.12(2) Uani 0.50 1 d P A 1 F1' F 0.513(8) 1.030(2) 0.8585(19) 0.133(19) Uani 0.50 1 d P A 1 F2' F 0.548(9) 0.9218(15) 0.8601(16) 0.130(19) Uani 0.50 1 d P A 1 F3' F 0.789(5) 0.984(4) 0.8739(11) 0.19(2) Uani 0.50 1 d P A 1 F4 F 0.738(3) 0.6279(7) 0.5248(7) 0.193(9) Uani 1 1 d . . 1 F5 F 1.020(2) 0.6078(5) 0.5042(8) 0.159(7) Uani 1 1 d . . 1 F6 F 0.7941(15) 0.6310(4) 0.4367(4) 0.088(3) Uani 1 1 d . . 1 O1 O 0.5519(12) 0.9303(4) 0.7446(3) 0.0477(17) Uani 1 1 d . A 1 O2 O 0.7237(11) 1.0323(4) 0.7600(4) 0.0540(19) Uani 1 1 d . A 1 O3 O 0.8949(11) 0.7534(4) 0.5489(3) 0.0470(17) Uani 1 1 d . . 1 O4 O 0.9834(11) 0.7560(4) 0.4559(3) 0.0442(16) Uani 1 1 d . . 1 O5 O 0.6703(9) 0.9554(3) 0.3459(3) 0.0365(13) Uani 1 1 d . . 1 O6 O 0.7036(9) 0.9081(4) 0.4379(3) 0.0382(14) Uani 1 1 d . . 1 O7 O 0.3600(13) 0.8064(4) 0.1688(3) 0.0520(18) Uani 1 1 d . . 1 H7 H 0.3468 0.8425 0.1885 0.078 Uiso 1 1 calc R . 1 O8 O 0.3887(10) 0.6890(4) 0.1858(3) 0.0419(15) Uani 1 1 d . . 1 O9 O 0.2709(9) 0.8745(3) 0.6145(3) 0.0328(12) Uani 1 1 d . . 1 O10 O 0.3985(11) 0.8138(4) 0.5430(3) 0.0432(16) Uani 1 1 d . . 1 O11 O 0.4118(11) 0.7705(4) 0.8242(3) 0.0481(17) Uani 1 1 d . . 1 H11A H 0.3106 0.7881 0.8070 0.072 Uiso 1 1 calc R . 1 O12 O 0.5009(9) 0.6562(3) 0.8324(3) 0.0349(13) Uani 1 1 d . . 1 O1W O 1.0896(13) 0.9405(5) 0.7274(4) 0.067(2) Uani 1 1 d . B 1 H1WA H 1.0346 0.9307 0.7581 0.101 Uiso 1 1 d R B 1 H1WC H 1.0902 0.9036 0.7053 0.101 Uiso 1 1 d R B 1 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 0.0482(4) 0.0280(4) 0.0560(5) 0.0086(3) 0.0137(3) 0.0076(3) Ag2 0.0418(4) 0.0388(4) 0.0319(3) -0.0012(3) 0.0133(3) -0.0048(3) Ag3 0.0291(3) 0.0343(3) 0.0256(3) 0.0042(2) 0.0045(2) 0.0001(2) Ag4 0.0287(3) 0.0340(4) 0.0440(4) 0.0003(3) 0.0037(3) 0.0007(2) Ag5 0.0419(4) 0.0291(3) 0.0328(3) 0.0020(2) -0.0009(3) -0.0078(3) Ag6 0.1214(8) 0.0793(7) 0.0346(4) 0.0005(4) -0.0009(5) -0.0647(6) C1 0.034(4) 0.030(4) 0.024(4) -0.001(3) 0.007(3) -0.001(3) C2 0.029(4) 0.031(4) 0.027(4) 0.001(3) 0.003(3) 0.001(3) C3 0.055(6) 0.038(5) 0.033(4) 0.006(4) 0.008(4) 0.008(4) C4 0.057(3) 0.056(3) 0.055(3) -0.0005(15) 0.0079(15) 0.0001(15) C5 0.042(5) 0.028(4) 0.036(4) 0.001(3) 0.004(3) 0.000(4) C6 0.084(8) 0.030(5) 0.042(5) 0.000(4) 0.011(5) -0.004(5) C7 0.021(4) 0.037(5) 0.037(4) -0.012(4) 0.004(3) 0.001(3) C8 0.022(4) 0.028(4) 0.032(4) -0.007(3) 0.004(3) 0.001(3) C9 0.029(4) 0.025(4) 0.025(3) 0.000(3) 0.007(3) 0.003(3) C10 0.028(4) 0.033(4) 0.025(4) -0.004(3) 0.003(3) 0.002(3) C11 0.046(5) 0.030(4) 0.031(4) -0.004(3) 0.007(3) -0.010(4) C12 0.051(5) 0.035(5) 0.037(5) 0.007(4) 0.008(4) -0.014(4) C13 0.037(4) 0.042(5) 0.022(4) -0.002(3) 0.004(3) -0.003(4) C14 0.025(4) 0.032(4) 0.030(4) -0.006(3) 0.004(3) 0.001(3) C15 0.027(4) 0.031(4) 0.028(4) 0.006(3) -0.003(3) -0.005(3) C16 0.030(4) 0.028(4) 0.027(4) 0.005(3) 0.005(3) 0.000(3) C17 0.044(5) 0.030(4) 0.029(4) -0.002(3) 0.000(3) -0.001(4) C18 0.057(6) 0.024(4) 0.036(4) -0.001(3) 0.001(4) 0.001(4) C19 0.046(5) 0.024(4) 0.031(4) 0.006(3) 0.001(4) 0.001(3) C20 0.025(4) 0.025(4) 0.025(3) 0.004(3) 0.002(3) 0.001(3) C21 0.032(4) 0.024(4) 0.028(4) 0.001(3) 0.005(3) 0.002(3) C22 0.026(4) 0.032(4) 0.026(4) 0.004(3) 0.004(3) -0.002(3) F1 0.26(5) 0.044(11) 0.042(11) -0.019(9) 0.03(2) -0.03(2) F2 0.093(15) 0.18(3) 0.055(11) 0.014(16) 0.030(10) 0.015(18) F3 0.22(4) 0.12(3) 0.045(11) 0.040(17) 0.04(2) 0.12(3) F1' 0.21(4) 0.13(3) 0.08(2) 0.000(19) 0.07(3) 0.09(3) F2' 0.28(5) 0.057(16) 0.07(2) -0.005(13) 0.09(3) -0.05(3) F3' 0.15(3) 0.37(7) 0.045(11) 0.06(3) -0.028(15) -0.12(4) F4 0.35(2) 0.096(9) 0.178(13) -0.070(9) 0.192(15) -0.125(12) F5 0.172(12) 0.041(5) 0.230(16) -0.014(7) -0.098(11) 0.025(6) F6 0.132(8) 0.053(5) 0.073(5) -0.015(4) -0.001(5) -0.029(5) O1 0.074(5) 0.038(4) 0.033(3) -0.002(3) 0.015(3) 0.000(3) O2 0.050(4) 0.061(5) 0.052(4) 0.008(4) 0.007(3) -0.012(4) O3 0.070(5) 0.036(4) 0.036(3) 0.000(3) 0.010(3) 0.003(3) O4 0.061(4) 0.036(4) 0.038(3) 0.001(3) 0.013(3) -0.010(3) O5 0.033(3) 0.031(3) 0.045(4) -0.002(3) 0.006(3) -0.003(2) O6 0.034(3) 0.052(4) 0.029(3) -0.014(3) 0.005(2) -0.004(3) O7 0.079(5) 0.038(4) 0.037(4) -0.004(3) 0.001(3) -0.001(4) O8 0.060(4) 0.033(3) 0.032(3) -0.010(3) 0.007(3) -0.003(3) O9 0.039(3) 0.027(3) 0.032(3) 0.005(2) 0.005(2) 0.002(2) O10 0.068(5) 0.034(3) 0.030(3) 0.006(3) 0.017(3) 0.002(3) O11 0.056(4) 0.046(4) 0.041(4) 0.005(3) 0.002(3) 0.002(3) O12 0.042(3) 0.036(3) 0.027(3) 0.008(2) 0.005(2) 0.004(3) O1W 0.064(5) 0.076(6) 0.065(6) -0.013(5) 0.021(4) -0.011(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 C1 2.153(8) . ? Ag1 O3 2.233(7) . ? Ag1 O8 2.432(6) 4_676 ? Ag1 Ag2 2.9710(10) . ? Ag1 Ag4 2.9820(10) . ? Ag1 Ag3 3.1558(10) . ? Ag2 C1 2.187(8) . ? Ag2 O1 2.246(7) . ? Ag2 O5 2.502(6) 3_676 ? Ag2 O9 2.520(6) . ? Ag2 Ag6 2.8459(12) . ? Ag2 Ag3 3.1360(9) . ? Ag3 O10 2.337(7) . ? Ag3 O6 2.369(6) . ? Ag3 C2 2.371(8) 3_676 ? Ag3 C1 2.427(8) . ? Ag3 Ag3 2.8243(13) 3_676 ? Ag3 Ag4 2.9284(9) 1_455 ? Ag3 Ag5 3.0429(9) 3_676 ? Ag4 O9 2.409(6) 1_655 ? Ag4 O6 2.466(7) 3_776 ? Ag4 C2 2.494(8) . ? Ag4 C2 2.642(8) 3_776 ? Ag4 C1 2.699(8) . ? Ag4 Ag3 2.9284(9) 1_655 ? Ag4 Ag4 3.0834(14) 3_776 ? Ag4 Ag5 3.1062(10) 3_776 ? Ag4 Ag5 3.2984(10) . ? Ag4 Ag6 3.3270(15) . ? Ag5 C2 2.118(9) . ? Ag5 O4 2.200(7) 3_776 ? Ag5 Ag3 3.0429(9) 3_676 ? Ag5 Ag4 3.1062(10) 3_776 ? Ag5 Ag6 3.3084(12) . ? Ag6 O12 2.354(7) 2_656 ? Ag6 O1W 2.412(10) . ? Ag6 O2 2.520(8) . ? Ag6 C1 2.574(8) . ? Ag6 C2 2.604(8) . ? C1 C2 1.239(12) . ? C2 Ag3 2.371(8) 3_676 ? C2 Ag4 2.642(8) 3_776 ? C3 O2 1.224(13) . ? C3 O1 1.253(13) . ? C3 C4 1.569(16) . ? C4 F1' 1.21(3) . ? C4 F2' 1.21(3) . ? C4 F3 1.21(2) . ? C4 F1 1.25(3) . ? C4 F3' 1.39(3) . ? C4 F2 1.42(3) . ? C5 O3 1.230(11) . ? C5 O4 1.258(11) . ? C5 C6 1.539(13) . ? C6 F4 1.269(16) . ? C6 F6 1.308(13) . ? C6 F5 1.314(16) . ? C7 O5 1.249(11) . ? C7 O6 1.293(10) . ? C7 C8 1.504(11) . ? C8 C13 1.402(12) . ? C8 C9 1.403(11) . ? C9 C10 1.388(11) . ? C10 C11 1.403(12) . ? C10 C14 1.503(11) . ? C11 C12 1.377(12) . ? C12 C13 1.392(13) . ? C14 O8 1.243(10) . ? C14 O7 1.316(11) . ? C15 O10 1.250(10) . ? C15 O9 1.277(11) . ? C15 C16 1.509(11) . ? C16 C21 1.385(11) . ? C16 C17 1.400(12) . ? C17 C18 1.393(12) . ? C18 C19 1.381(12) . ? C19 C20 1.402(11) . ? C20 C21 1.389(10) . ? C20 C22 1.500(10) . ? C22 O12 1.236(10) . ? C22 O11 1.332(11) . ? F1 F1' 0.88(5) . ? F1 F3' 1.42(6) . ? F2 F2' 1.35(5) . ? F2 F1' 1.41(5) . ? F3 F2' 0.88(5) . ? F3 F3' 1.32(5) . ? O4 Ag5 2.200(7) 3_776 ? O5 Ag2 2.502(6) 3_676 ? O6 Ag4 2.465(7) 3_776 ? O8 Ag1 2.432(6) 4_575 ? O9 Ag4 2.409(6) 1_455 ? O12 Ag6 2.354(6) 2_646 ? 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 O3 152.2(3) . . ? C1 Ag1 O8 117.5(3) . 4_676 ? O3 Ag1 O8 88.5(2) . 4_676 ? C1 Ag1 Ag2 47.3(2) . . ? O3 Ag1 Ag2 141.8(2) . . ? O8 Ag1 Ag2 77.13(17) 4_676 . ? C1 Ag1 Ag4 60.9(2) . . ? O3 Ag1 Ag4 116.8(2) . . ? O8 Ag1 Ag4 118.89(17) 4_676 . ? Ag2 Ag1 Ag4 101.02(3) . . ? C1 Ag1 Ag3 50.2(2) . . ? O3 Ag1 Ag3 106.37(19) . . ? O8 Ag1 Ag3 129.80(17) 4_676 . ? Ag2 Ag1 Ag3 61.49(2) . . ? Ag4 Ag1 Ag3 96.95(3) . . ? C1 Ag2 O1 149.4(3) . . ? C1 Ag2 O5 110.6(3) . 3_676 ? O1 Ag2 O5 84.5(2) . 3_676 ? C1 Ag2 O9 115.4(3) . . ? O1 Ag2 O9 92.3(2) . . ? O5 Ag2 O9 82.7(2) 3_676 . ? C1 Ag2 Ag6 59.8(2) . . ? O1 Ag2 Ag6 93.1(2) . . ? O5 Ag2 Ag6 96.28(15) 3_676 . ? O9 Ag2 Ag6 174.43(14) . . ? C1 Ag2 Ag1 46.3(2) . . ? O1 Ag2 Ag1 120.6(2) . . ? O5 Ag2 Ag1 154.75(16) 3_676 . ? O9 Ag2 Ag1 98.03(14) . . ? Ag6 Ag2 Ag1 80.53(4) . . ? C1 Ag2 Ag3 50.5(2) . . ? O1 Ag2 Ag3 157.6(2) . . ? O5 Ag2 Ag3 96.08(16) 3_676 . ? O9 Ag2 Ag3 65.66(14) . . ? Ag6 Ag2 Ag3 109.10(3) . . ? Ag1 Ag2 Ag3 62.16(2) . . ? O10 Ag3 O6 107.7(2) . . ? O10 Ag3 C2 108.5(3) . 3_676 ? O6 Ag3 C2 102.3(3) . 3_676 ? O10 Ag3 C1 107.1(3) . . ? O6 Ag3 C1 86.2(2) . . ? C2 Ag3 C1 138.6(3) 3_676 . ? O10 Ag3 Ag3 163.37(16) . 3_676 ? O6 Ag3 Ag3 88.32(17) . 3_676 ? C2 Ag3 Ag3 71.1(2) 3_676 3_676 ? C1 Ag3 Ag3 68.7(2) . 3_676 ? O10 Ag3 Ag4 84.95(17) . 1_455 ? O6 Ag3 Ag4 160.31(17) . 1_455 ? C2 Ag3 Ag4 58.7(2) 3_676 1_455 ? C1 Ag3 Ag4 104.84(19) . 1_455 ? Ag3 Ag3 Ag4 80.85(3) 3_676 1_455 ? O10 Ag3 Ag5 65.23(18) . 3_676 ? O6 Ag3 Ag5 108.27(14) . 3_676 ? C2 Ag3 Ag5 43.9(2) 3_676 3_676 ? C1 Ag3 Ag5 164.98(19) . 3_676 ? Ag3 Ag3 Ag5 114.69(3) 3_676 3_676 ? Ag4 Ag3 Ag5 62.65(2) 1_455 3_676 ? O10 Ag3 Ag2 78.51(16) . . ? O6 Ag3 Ag2 126.89(15) . . ? C2 Ag3 Ag2 126.3(2) 3_676 . ? C1 Ag3 Ag2 44.04(19) . . ? Ag3 Ag3 Ag2 88.39(3) 3_676 . ? Ag4 Ag3 Ag2 69.53(2) 1_455 . ? Ag5 Ag3 Ag2 120.99(3) 3_676 . ? O10 Ag3 Ag1 71.40(18) . . ? O6 Ag3 Ag1 75.35(16) . . ? C2 Ag3 Ag1 177.3(2) 3_676 . ? C1 Ag3 Ag1 42.9(2) . . ? Ag3 Ag3 Ag1 109.74(3) 3_676 . ? Ag4 Ag3 Ag1 123.79(3) 1_455 . ? Ag5 Ag3 Ag1 135.47(3) 3_676 . ? Ag2 Ag3 Ag1 56.35(2) . . ? O9 Ag4 O6 121.4(2) 1_655 3_776 ? O9 Ag4 C2 129.0(2) 1_655 . ? O6 Ag4 C2 93.4(2) 3_776 . ? O9 Ag4 C2 111.9(2) 1_655 3_776 ? O6 Ag4 C2 85.8(2) 3_776 3_776 ? C2 Ag4 C2 106.3(2) . 3_776 ? O9 Ag4 C1 103.1(2) 1_655 . ? O6 Ag4 C1 118.2(2) 3_776 . ? C2 Ag4 C1 27.3(3) . . ? C2 Ag4 C1 116.5(2) 3_776 . ? O9 Ag4 Ag3 70.51(15) 1_655 1_655 ? O6 Ag4 Ag3 84.20(15) 3_776 1_655 ? C2 Ag4 Ag3 156.29(19) . 1_655 ? C2 Ag4 Ag3 50.06(18) 3_776 1_655 ? C1 Ag4 Ag3 154.94(17) . 1_655 ? O9 Ag4 Ag1 63.80(15) 1_655 . ? O6 Ag4 Ag1 158.40(14) 3_776 . ? C2 Ag4 Ag1 71.1(2) . . ? C2 Ag4 Ag1 112.54(19) 3_776 . ? C1 Ag4 Ag1 44.19(18) . . ? Ag3 Ag4 Ag1 116.09(3) 1_655 . ? O9 Ag4 Ag4 146.00(15) 1_655 3_776 ? O6 Ag4 Ag4 89.09(15) 3_776 3_776 ? C2 Ag4 Ag4 55.34(19) . 3_776 ? C2 Ag4 Ag4 50.94(18) 3_776 3_776 ? C1 Ag4 Ag4 70.31(17) . 3_776 ? Ag3 Ag4 Ag4 100.98(3) 1_655 3_776 ? Ag1 Ag4 Ag4 93.82(3) . 3_776 ? O9 Ag4 Ag5 83.69(15) 1_655 3_776 ? O6 Ag4 Ag5 127.79(14) 3_776 3_776 ? C2 Ag4 Ag5 104.45(19) . 3_776 ? C2 Ag4 Ag5 42.29(18) 3_776 3_776 ? C1 Ag4 Ag5 95.16(17) . 3_776 ? Ag3 Ag4 Ag5 60.48(2) 1_655 3_776 ? Ag1 Ag4 Ag5 72.06(3) . 3_776 ? Ag4 Ag4 Ag5 64.40(3) 3_776 3_776 ? O9 Ag4 Ag5 151.46(15) 1_655 . ? O6 Ag4 Ag5 53.71(15) 3_776 . ? C2 Ag4 Ag5 40.0(2) . . ? C2 Ag4 Ag5 96.17(18) 3_776 . ? C1 Ag4 Ag5 66.44(18) . . ? Ag3 Ag4 Ag5 129.95(3) 1_655 . ? Ag1 Ag4 Ag5 110.63(3) . . ? Ag4 Ag4 Ag5 58.13(2) 3_776 . ? Ag5 Ag4 Ag5 122.54(2) 3_776 . ? O9 Ag4 Ag6 92.75(15) 1_655 . ? O6 Ag4 Ag6 85.63(14) 3_776 . ? C2 Ag4 Ag6 50.71(19) . . ? C2 Ag4 Ag6 154.77(18) 3_776 . ? C1 Ag4 Ag6 49.23(17) . . ? Ag3 Ag4 Ag6 151.65(3) 1_655 . ? Ag1 Ag4 Ag6 72.95(3) . . ? Ag4 Ag4 Ag6 105.24(4) 3_776 . ? Ag5 Ag4 Ag6 142.50(3) 3_776 . ? Ag5 Ag4 Ag6 59.91(3) . . ? C2 Ag5 O4 175.2(3) . 3_776 ? C2 Ag5 Ag3 50.9(2) . 3_676 ? O4 Ag5 Ag3 126.2(2) 3_776 3_676 ? C2 Ag5 Ag4 57.1(2) . 3_776 ? O4 Ag5 Ag4 125.77(18) 3_776 3_776 ? Ag3 Ag5 Ag4 56.87(2) 3_676 3_776 ? C2 Ag5 Ag4 49.1(2) . . ? O4 Ag5 Ag4 135.4(2) 3_776 . ? Ag3 Ag5 Ag4 93.95(2) 3_676 . ? Ag4 Ag5 Ag4 57.46(2) 3_776 . ? C2 Ag5 Ag6 51.9(2) . . ? O4 Ag5 Ag6 126.96(18) 3_776 . ? Ag3 Ag5 Ag6 91.80(3) 3_676 . ? Ag4 Ag5 Ag6 105.17(3) 3_776 . ? Ag4 Ag5 Ag6 60.47(3) . . ? O12 Ag6 O1W 127.7(3) 2_656 . ? O12 Ag6 O2 101.9(2) 2_656 . ? O1W Ag6 O2 81.5(3) . . ? O12 Ag6 C1 120.3(2) 2_656 . ? O1W Ag6 C1 103.0(3) . . ? O2 Ag6 C1 116.2(3) . . ? O12 Ag6 C2 92.8(2) 2_656 . ? O1W Ag6 C2 123.5(3) . . ? O2 Ag6 C2 132.1(3) . . ? C1 Ag6 C2 27.7(3) . . ? O12 Ag6 Ag2 139.20(17) 2_656 . ? O1W Ag6 Ag2 91.4(2) . . ? O2 Ag6 Ag2 69.24(18) . . ? C1 Ag6 Ag2 47.27(18) . . ? C2 Ag6 Ag2 69.97(19) . . ? O12 Ag6 Ag5 53.53(14) 2_656 . ? O1W Ag6 Ag5 141.3(2) . . ? O2 Ag6 Ag5 137.0(2) . . ? C1 Ag6 Ag5 67.48(18) . . ? C2 Ag6 Ag5 39.79(19) . . ? Ag2 Ag6 Ag5 105.02(3) . . ? O12 Ag6 Ag4 98.91(15) 2_656 . ? O1W Ag6 Ag4 84.3(2) . . ? O2 Ag6 Ag4 159.1(2) . . ? C1 Ag6 Ag4 52.57(19) . . ? C2 Ag6 Ag4 47.85(18) . . ? Ag2 Ag6 Ag4 95.87(3) . . ? Ag5 Ag6 Ag4 59.62(2) . . ? C2 C1 Ag1 140.6(7) . . ? C2 C1 Ag2 130.0(7) . . ? Ag1 C1 Ag2 86.4(3) . . ? C2 C1 Ag3 107.8(6) . . ? Ag1 C1 Ag3 86.9(3) . . ? Ag2 C1 Ag3 85.5(3) . . ? C2 C1 Ag6 77.5(5) . . ? Ag1 C1 Ag6 105.1(3) . . ? Ag2 C1 Ag6 72.9(2) . . ? Ag3 C1 Ag6 154.3(4) . . ? C2 C1 Ag4 67.1(5) . . ? Ag1 C1 Ag4 74.9(2) . . ? Ag2 C1 Ag4 140.0(4) . . ? Ag3 C1 Ag4 127.4(3) . . ? Ag6 C1 Ag4 78.2(2) . . ? C1 C2 Ag5 163.1(7) . . ? C1 C2 Ag3 107.0(6) . 3_676 ? Ag5 C2 Ag3 85.1(3) . 3_676 ? C1 C2 Ag4 85.6(6) . . ? Ag5 C2 Ag4 90.9(3) . . ? Ag3 C2 Ag4 144.9(4) 3_676 . ? C1 C2 Ag6 74.8(5) . . ? Ag5 C2 Ag6 88.3(3) . . ? Ag3 C2 Ag6 133.1(4) 3_676 . ? Ag4 C2 Ag6 81.4(2) . . ? C1 C2 Ag4 114.0(6) . 3_776 ? Ag5 C2 Ag4 80.6(3) . 3_776 ? Ag3 C2 Ag4 71.2(2) 3_676 3_776 ? Ag4 C2 Ag4 73.7(2) . 3_776 ? Ag6 C2 Ag4 152.5(3) . 3_776 ? O2 C3 O1 130.8(10) . . ? O2 C3 C4 115.5(10) . . ? O1 C3 C4 113.7(9) . . ? F1' C4 F2' 115(3) . . ? F1' C4 F3 132(3) . . ? F2' C4 F3 43(3) . . ? F1' C4 F1 42(3) . . ? F2' C4 F1 132(3) . . ? F3 C4 F1 113(3) . . ? F1' C4 F3' 106(3) . . ? F2' C4 F3' 102(3) . . ? F3 C4 F3' 60(3) . . ? F1 C4 F3' 65(3) . . ? F1' C4 F2 64(3) . . ? F2' C4 F2 61(2) . . ? F3 C4 F2 102(3) . . ? F1 C4 F2 104(3) . . ? F3' C4 F2 148.0(17) . . ? F1' C4 C3 113(2) . . ? F2' C4 C3 114.7(18) . . ? F3 C4 C3 115.0(18) . . ? F1 C4 C3 113.6(18) . . ? F3' C4 C3 104.5(15) . . ? F2 C4 C3 107.4(12) . . ? O3 C5 O4 129.5(9) . . ? O3 C5 C6 115.3(9) . . ? O4 C5 C6 115.2(8) . . ? F4 C6 F6 106.4(13) . . ? F4 C6 F5 108.3(15) . . ? F6 C6 F5 104.2(11) . . ? F4 C6 C5 113.3(10) . . ? F6 C6 C5 113.6(9) . . ? F5 C6 C5 110.5(10) . . ? O5 C7 O6 122.4(8) . . ? O5 C7 C8 120.6(8) . . ? O6 C7 C8 117.0(8) . . ? C13 C8 C9 119.5(7) . . ? C13 C8 C7 121.8(7) . . ? C9 C8 C7 118.4(8) . . ? C10 C9 C8 119.9(7) . . ? C9 C10 C11 120.0(7) . . ? C9 C10 C14 121.5(7) . . ? C11 C10 C14 118.4(7) . . ? C12 C11 C10 120.3(8) . . ? C11 C12 C13 120.2(8) . . ? C12 C13 C8 120.1(8) . . ? O8 C14 O7 122.0(8) . . ? O8 C14 C10 120.6(8) . . ? O7 C14 C10 117.5(7) . . ? O10 C15 O9 125.0(7) . . ? O10 C15 C16 118.0(8) . . ? O9 C15 C16 117.1(7) . . ? C21 C16 C17 120.2(7) . . ? C21 C16 C15 120.2(7) . . ? C17 C16 C15 119.5(7) . . ? C18 C17 C16 119.2(8) . . ? C19 C18 C17 120.3(8) . . ? C18 C19 C20 120.7(8) . . ? C21 C20 C19 118.8(7) . . ? C21 C20 C22 122.5(7) . . ? C19 C20 C22 118.6(7) . . ? C16 C21 C20 120.7(7) . . ? O12 C22 O11 120.5(7) . . ? O12 C22 C20 122.0(8) . . ? O11 C22 C20 117.4(7) . . ? F1' F1 C4 67(3) . . ? F1' F1 F3' 127(4) . . ? C4 F1 F3' 62.2(19) . . ? F2' F2 F1' 95(2) . . ? F2' F2 C4 51.7(16) . . ? F1' F2 C4 50.6(16) . . ? F2' F3 C4 68(2) . . ? F2' F3 F3' 133(4) . . ? C4 F3 F3' 66(2) . . ? F1 F1' C4 72(3) . . ? F1 F1' F2 133(5) . . ? C4 F1' F2 65(2) . . ? F3 F2' C4 69(3) . . ? F3 F2' F2 133(4) . . ? C4 F2' F2 67(2) . . ? F3 F3' C4 53.2(15) . . ? F3 F3' F1 97(2) . . ? C4 F3' F1 52.7(17) . . ? C3 O1 Ag2 109.9(6) . . ? C3 O2 Ag6 125.2(7) . . ? C5 O3 Ag1 136.6(6) . . ? C5 O4 Ag5 125.8(6) . 3_776 ? C7 O5 Ag2 109.9(5) . 3_676 ? C7 O6 Ag3 119.8(5) . . ? C7 O6 Ag4 99.3(6) . 3_776 ? Ag3 O6 Ag4 101.0(2) . 3_776 ? C14 O8 Ag1 133.5(6) . 4_575 ? C15 O9 Ag4 126.5(5) . 1_455 ? C15 O9 Ag2 102.2(5) . . ? Ag4 O9 Ag2 89.2(2) 1_455 . ? C15 O10 Ag3 111.5(6) . . ? C22 O12 Ag6 142.4(6) . 2_646 ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 28.08 _diffrn_measured_fraction_theta_full 0.996 _refine_diff_density_max 2.546 _refine_diff_density_min -1.921 _refine_diff_density_rms 0.209 _database_code_depnum_ccdc_archive 'CCDC 956805' ####################################################################### # # 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_4 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C22 H9 Ag6 F6 N O10' _chemical_formula_weight 1208.52 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' 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' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P21/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 18.999(3) _cell_length_b 17.422(2) _cell_length_c 8.2616(11) _cell_angle_alpha 90.00 _cell_angle_beta 96.619(2) _cell_angle_gamma 90.00 _cell_volume 2716.4(6) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 25606 _cell_measurement_theta_min 2.338 _cell_measurement_theta_max 27.837 _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.11 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.955 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2256 _exptl_absorpt_coefficient_mu 4.340 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5621 _exptl_absorpt_correction_T_max 0.6468 _exptl_absorpt_process_details SADABS _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 17852 _diffrn_reflns_av_R_equivalents 0.0944 _diffrn_reflns_av_sigmaI/netI 0.0874 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_theta_min 1.59 _diffrn_reflns_theta_max 25.24 _reflns_number_total 4893 _reflns_number_gt 3899 _reflns_threshold_expression >2sigma(I) _computing_data_collection APEX2(Bruker,2003) _computing_cell_refinement SAINT(Bruker,2001) _computing_data_reduction APEX2(Bruker,2003) _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^)+(0.1758P)^2^+0.0000P] 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 0.0014(4) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 4893 _refine_ls_number_parameters 408 _refine_ls_number_restraints 6 _refine_ls_R_factor_all 0.1126 _refine_ls_R_factor_gt 0.0981 _refine_ls_wR_factor_ref 0.2472 _refine_ls_wR_factor_gt 0.2317 _refine_ls_goodness_of_fit_ref 1.077 _refine_ls_restrained_S_all 1.077 _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 0.35811(6) 0.14831(6) 0.70825(11) 0.0389(4) Uani 1 1 d . . . Ag2 Ag 0.32355(6) 0.28826(5) 0.52788(13) 0.0419(4) Uani 1 1 d . . . Ag3 Ag 0.29469(6) 0.37982(6) 0.85755(13) 0.0439(4) Uani 1 1 d . . . Ag4 Ag 0.17833(7) 0.36556(6) 0.61666(14) 0.0505(4) Uani 1 1 d . . . Ag5 Ag 0.16514(7) 0.21092(6) 0.49993(17) 0.0590(5) Uani 1 1 d . . . Ag6 Ag 0.22347(6) 0.09517(5) 0.78719(13) 0.0424(4) Uani 1 1 d . . . C1 C 0.2500(6) 0.2076(7) 0.7324(14) 0.029(3) Uani 1 1 d . . . C2 C 0.2478(6) 0.2782(7) 0.7341(13) 0.028(2) Uani 1 1 d . . . C3 C 0.3814(7) 0.4605(8) 0.5119(17) 0.041(3) Uani 1 1 d . . . C4 C 0.4076(10) 0.5353(9) 0.594(2) 0.058(4) Uani 1 1 d . . . C5 C 0.1899(8) 0.5384(7) 0.4959(17) 0.040(3) Uani 1 1 d . . . C6 C 0.1741(11) 0.6246(8) 0.518(2) 0.063(5) Uani 1 1 d . . . C7 C 0.0570(6) 0.3269(7) 0.3266(17) 0.035(3) Uani 1 1 d . . . C8 C -0.0029(7) 0.3567(7) 0.2084(17) 0.038(3) Uani 1 1 d . . . C9 C -0.0377(8) 0.3076(9) 0.1011(17) 0.045(3) Uani 1 1 d . . . H9 H -0.0255 0.2559 0.1029 0.054 Uiso 1 1 calc R . . C10 C -0.0909(11) 0.3341(12) -0.010(3) 0.085(7) Uani 1 1 d . . . H10 H -0.1144 0.3007 -0.0860 0.102 Uiso 1 1 calc R . . C11 C -0.1110(11) 0.4155(16) -0.010(3) 0.096(8) Uani 1 1 d . . . H11 H -0.1492 0.4339 -0.0797 0.115 Uiso 1 1 calc R . . C12 C -0.0192(8) 0.4327(9) 0.2043(18) 0.047(3) Uani 1 1 d . . . H12 H 0.0066 0.4653 0.2780 0.057 Uiso 1 1 calc R . . C13 C -0.0719(9) 0.4635(9) 0.0967(19) 0.051(4) Uani 1 1 d . . . C14 C -0.0896(11) 0.5463(13) 0.094(2) 0.080(6) Uani 1 1 d . . . C15 C 0.5467(7) 0.6969(7) 1.0605(14) 0.032(3) Uani 1 1 d . . . C16 C 0.4738(7) 0.6843(7) 1.1139(14) 0.030(3) Uani 1 1 d . . . C17 C 0.4412(7) 0.7424(7) 1.1935(15) 0.036(3) Uani 1 1 d . . . H17 H 0.4656 0.7872 1.2246 0.043 Uiso 1 1 calc R . . C18 C 0.3714(8) 0.7324(8) 1.226(2) 0.049(4) Uani 1 1 d . . . H18 H 0.3486 0.7715 1.2766 0.059 Uiso 1 1 calc R . . C19 C 0.3369(7) 0.6667(8) 1.1853(18) 0.045(3) Uani 1 1 d U . . H19 H 0.2911 0.6601 1.2121 0.054 Uiso 1 1 calc R . . C20 C 0.4389(6) 0.6176(6) 1.0700(14) 0.026(2) Uani 1 1 d . . . H20 H 0.4614 0.5787 1.0183 0.031 Uiso 1 1 calc R . . C21 C 0.3680(7) 0.6085(7) 1.1044(14) 0.033(3) Uani 1 1 d . . . C22 C 0.3314(7) 0.5417(7) 1.0459(15) 0.037(3) Uani 1 1 d . . . F1 F 0.1878(10) 0.6467(6) 0.6650(16) 0.119(6) Uani 1 1 d . . . F2 F 0.1079(8) 0.6358(7) 0.491(2) 0.125(6) Uani 1 1 d . . . F3 F 0.2059(10) 0.6681(6) 0.4246(19) 0.120(6) Uani 1 1 d . . . F4 F 0.3548(8) 0.5750(8) 0.635(2) 0.135(7) Uani 1 1 d . . . F5 F 0.4448(8) 0.5783(6) 0.5083(15) 0.096(4) Uani 1 1 d . . . F6 F 0.4509(8) 0.5213(7) 0.7323(13) 0.105(5) Uani 1 1 d . . . N1 N 0.3047(7) 0.4862(6) 0.9937(14) 0.043(3) Uani 1 1 d . . . O1 O 0.3578(7) 0.4135(6) 0.6028(13) 0.058(3) Uani 1 1 d . . . O2 O 0.3870(6) 0.4571(5) 0.3626(11) 0.049(3) Uani 1 1 d . . . O3 O 0.1843(7) 0.4972(5) 0.6155(13) 0.055(3) Uani 1 1 d . . . O4 O 0.2053(7) 0.5206(5) 0.3576(13) 0.056(3) Uani 1 1 d . . . O5 O 0.0858(7) 0.3750(7) 0.4214(16) 0.075(4) Uani 1 1 d . . . O6 O 0.0750(5) 0.2600(5) 0.3256(12) 0.048(2) Uani 1 1 d . . . O7 O -0.0463(13) 0.5983(12) 0.217(3) 0.145(9) Uani 1 1 d . . . H7 H -0.0125 0.5742 0.2625 0.217 Uiso 1 1 calc R . . O8 O -0.1289(7) 0.5831(6) 0.0183(18) 0.071(4) Uani 1 1 d . . . O9 O 0.5736(5) 0.6416(5) 0.9984(12) 0.043(2) Uani 1 1 d . . . O10 O 0.5734(5) 0.7620(5) 1.0826(12) 0.044(2) 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 Ag1 0.0470(7) 0.0376(6) 0.0336(6) 0.0040(4) 0.0109(4) 0.0053(4) Ag2 0.0477(7) 0.0316(6) 0.0497(7) 0.0045(4) 0.0201(5) 0.0029(4) Ag3 0.0552(8) 0.0326(6) 0.0417(6) -0.0093(4) -0.0037(5) -0.0084(4) Ag4 0.0559(8) 0.0394(6) 0.0525(7) 0.0020(5) -0.0096(6) 0.0169(5) Ag5 0.0573(8) 0.0302(6) 0.0788(9) 0.0013(5) -0.0384(6) -0.0012(5) Ag6 0.0465(7) 0.0274(6) 0.0531(7) 0.0095(4) 0.0051(5) -0.0066(4) C1 0.030(7) 0.028(7) 0.030(6) 0.001(4) 0.002(5) 0.001(5) C2 0.022(6) 0.032(6) 0.028(6) 0.007(4) 0.000(5) -0.001(5) C3 0.035(8) 0.042(8) 0.047(8) 0.002(6) 0.004(6) 0.003(6) C4 0.080(12) 0.039(8) 0.055(9) -0.016(7) 0.015(9) -0.005(8) C5 0.049(9) 0.021(6) 0.050(8) -0.008(5) 0.005(6) 0.008(6) C6 0.092(15) 0.021(7) 0.080(12) 0.004(7) 0.038(11) 0.015(8) C7 0.011(6) 0.037(7) 0.057(8) 0.012(6) 0.003(5) 0.004(5) C8 0.027(7) 0.042(7) 0.047(7) 0.005(6) 0.013(6) -0.001(6) C9 0.037(8) 0.050(8) 0.047(8) 0.009(6) 0.001(6) -0.009(6) C10 0.075(14) 0.080(13) 0.089(15) 0.018(11) -0.033(11) -0.011(11) C11 0.047(12) 0.15(2) 0.085(15) 0.071(16) -0.001(10) 0.021(13) C12 0.033(8) 0.056(9) 0.052(8) 0.018(7) 0.001(6) 0.002(7) C13 0.047(9) 0.054(9) 0.053(9) 0.014(7) 0.014(7) 0.022(7) C14 0.066(13) 0.116(17) 0.060(11) 0.035(11) 0.012(9) 0.043(12) C15 0.029(7) 0.036(6) 0.030(6) -0.001(5) -0.001(5) -0.001(5) C16 0.027(7) 0.031(6) 0.033(6) 0.007(5) 0.006(5) -0.003(5) C17 0.047(8) 0.024(6) 0.038(7) -0.014(5) 0.014(6) -0.002(5) C18 0.041(8) 0.038(7) 0.071(10) -0.021(7) 0.018(7) -0.008(6) C19 0.028(6) 0.050(7) 0.062(7) -0.003(6) 0.027(5) -0.005(5) C20 0.023(6) 0.023(5) 0.033(6) -0.005(4) 0.006(5) 0.000(4) C21 0.045(8) 0.029(6) 0.024(6) -0.006(4) 0.000(5) -0.001(5) C22 0.048(8) 0.024(6) 0.037(7) 0.003(5) 0.003(6) -0.010(5) F1 0.229(19) 0.048(6) 0.084(8) -0.034(6) 0.044(10) 0.012(8) F2 0.104(12) 0.074(8) 0.204(17) 0.010(9) 0.047(12) 0.051(8) F3 0.205(16) 0.031(5) 0.143(12) 0.003(6) 0.107(12) -0.007(7) F4 0.105(11) 0.077(8) 0.23(2) -0.086(11) 0.052(12) -0.014(8) F5 0.138(12) 0.066(7) 0.087(8) -0.012(6) 0.028(8) -0.059(7) F6 0.147(13) 0.106(9) 0.055(7) -0.026(6) -0.025(7) -0.032(9) N1 0.054(7) 0.028(6) 0.046(6) -0.013(5) -0.001(5) -0.007(5) O1 0.082(9) 0.040(6) 0.058(6) -0.004(5) 0.031(6) -0.021(5) O2 0.079(8) 0.039(5) 0.029(5) -0.010(4) 0.000(5) -0.011(5) O3 0.084(8) 0.027(5) 0.056(6) 0.002(4) 0.013(6) 0.001(5) O4 0.082(8) 0.029(5) 0.059(7) -0.003(4) 0.010(6) 0.017(5) O5 0.076(9) 0.060(7) 0.078(9) -0.017(6) -0.039(7) 0.016(6) O6 0.038(6) 0.044(6) 0.057(6) 0.003(4) -0.018(4) 0.002(4) O7 0.131(19) 0.149(18) 0.136(18) -0.009(14) -0.063(14) 0.034(13) O8 0.058(8) 0.034(6) 0.118(11) 0.014(6) 0.004(7) 0.017(5) O9 0.033(5) 0.039(5) 0.060(6) -0.006(4) 0.020(5) -0.005(4) O10 0.038(6) 0.042(5) 0.054(6) -0.013(4) 0.004(4) -0.020(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 O9 2.263(9) 2_646 ? Ag1 O2 2.267(9) 4_566 ? Ag1 C1 2.328(12) . ? Ag1 O10 2.570(8) 3_667 ? Ag1 Ag6 2.8653(16) . ? Ag1 Ag2 2.8933(14) . ? Ag1 Ag2 3.0042(14) 4_566 ? Ag1 Ag3 3.0467(15) 4_565 ? Ag2 O10 2.300(9) 2_646 ? Ag2 O1 2.340(10) . ? Ag2 C2 2.360(11) . ? Ag2 C1 2.670(11) 4_565 ? Ag2 C1 2.707(12) . ? Ag2 Ag1 3.0042(14) 4_565 ? Ag2 Ag4 3.2297(16) . ? Ag2 Ag3 3.2569(15) . ? Ag2 Ag3 3.2676(15) 4_565 ? Ag2 Ag5 3.2813(18) . ? Ag2 Ag6 3.2897(15) 4_565 ? Ag3 N1 2.165(10) . ? Ag3 C2 2.181(12) . ? Ag3 Ag4 2.8098(16) . ? Ag3 Ag1 3.0467(15) 4_566 ? Ag3 Ag5 3.2570(19) 4_566 ? Ag3 Ag2 3.2676(15) 4_566 ? Ag4 C2 2.169(11) . ? Ag4 O5 2.250(11) . ? Ag4 O3 2.296(9) . ? Ag4 Ag5 2.8628(16) . ? Ag4 Ag6 3.0250(17) 4_565 ? Ag5 O6 2.274(9) . ? Ag5 O8 2.330(10) 2_545 ? Ag5 C1 2.362(11) . ? Ag5 C2 2.624(11) . ? Ag5 Ag6 3.2125(15) . ? Ag5 Ag3 3.2570(19) 4_565 ? Ag6 C1 2.085(12) . ? Ag6 O4 2.139(9) 4_566 ? Ag6 Ag4 3.0250(17) 4_566 ? Ag6 Ag2 3.2897(15) 4_566 ? C1 C2 1.231(16) . ? C1 Ag2 2.670(11) 4_566 ? C3 O1 1.230(17) . ? C3 O2 1.252(17) . ? C3 C4 1.525(19) . ? C4 F5 1.29(2) . ? C4 F4 1.30(2) . ? C4 F6 1.35(2) . ? C5 O3 1.236(16) . ? C5 O4 1.251(17) . ? C5 C6 1.547(16) . ? C6 F2 1.27(2) . ? C6 F1 1.27(2) . ? C6 F3 1.28(2) . ? C7 O6 1.216(16) . ? C7 O5 1.231(17) . ? C7 C8 1.504(18) . ? C8 C9 1.349(19) . ? C8 C12 1.359(19) . ? C9 C10 1.37(2) . ? C10 C11 1.47(3) . ? C11 C13 1.37(3) . ? C12 C13 1.37(2) . ? C13 C14 1.48(3) . ? C14 O8 1.120(19) . ? C14 O7 1.53(3) . ? C15 O9 1.230(15) . ? C15 O10 1.246(14) . ? C15 C16 1.519(18) . ? C16 C20 1.366(16) . ? C16 C17 1.390(17) . ? C17 C18 1.395(19) . ? C18 C19 1.343(19) . ? C19 C21 1.382(18) . ? C20 C21 1.419(18) . ? C21 C22 1.413(16) . ? C22 N1 1.153(16) . ? O2 Ag1 2.267(9) 4_565 ? O4 Ag6 2.139(9) 4_565 ? O8 Ag5 2.330(10) 2 ? O9 Ag1 2.263(9) 2_656 ? O10 Ag2 2.300(9) 2_656 ? O10 Ag1 2.570(8) 3_667 ? 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 O9 Ag1 O2 105.0(4) 2_646 4_566 ? O9 Ag1 C1 132.5(4) 2_646 . ? O2 Ag1 C1 118.1(4) 4_566 . ? O9 Ag1 O10 104.4(3) 2_646 3_667 ? O2 Ag1 O10 92.5(3) 4_566 3_667 ? C1 Ag1 O10 93.2(4) . 3_667 ? O9 Ag1 Ag6 139.4(3) 2_646 . ? O2 Ag1 Ag6 77.0(3) 4_566 . ? C1 Ag1 Ag6 45.9(3) . . ? O10 Ag1 Ag6 116.1(2) 3_667 . ? O9 Ag1 Ag2 76.8(2) 2_646 . ? O2 Ag1 Ag2 176.7(2) 4_566 . ? C1 Ag1 Ag2 61.3(3) . . ? O10 Ag1 Ag2 84.3(2) 3_667 . ? Ag6 Ag1 Ag2 103.53(4) . . ? O9 Ag1 Ag2 152.2(3) 2_646 4_566 ? O2 Ag1 Ag2 82.4(2) 4_566 4_566 ? C1 Ag1 Ag2 58.5(3) . 4_566 ? O10 Ag1 Ag2 48.0(2) 3_667 4_566 ? Ag6 Ag1 Ag2 68.13(4) . 4_566 ? Ag2 Ag1 Ag2 94.77(3) . 4_566 ? O9 Ag1 Ag3 58.2(3) 2_646 4_565 ? O2 Ag1 Ag3 116.6(2) 4_566 4_565 ? C1 Ag1 Ag3 84.1(3) . 4_565 ? O10 Ag1 Ag3 148.4(2) 3_667 4_565 ? Ag6 Ag1 Ag3 84.20(4) . 4_565 ? Ag2 Ag1 Ag3 66.69(4) . 4_565 ? Ag2 Ag1 Ag3 142.42(5) 4_566 4_565 ? O10 Ag2 O1 93.8(4) 2_646 . ? O10 Ag2 C2 152.8(4) 2_646 . ? O1 Ag2 C2 93.0(4) . . ? O10 Ag2 C1 91.3(4) 2_646 4_565 ? O1 Ag2 C1 108.5(4) . 4_565 ? C2 Ag2 C1 111.3(4) . 4_565 ? O10 Ag2 C1 132.0(3) 2_646 . ? O1 Ag2 C1 117.8(3) . . ? C2 Ag2 C1 27.0(4) . . ? C1 Ag2 C1 109.4(4) 4_565 . ? O10 Ag2 Ag1 83.3(2) 2_646 . ? O1 Ag2 Ag1 127.6(3) . . ? C2 Ag2 Ag1 71.7(3) . . ? C1 Ag2 Ag1 123.9(3) 4_565 . ? C1 Ag2 Ag1 49.0(3) . . ? O10 Ag2 Ag1 56.1(2) 2_646 4_565 ? O1 Ag2 Ag1 78.9(3) . 4_565 ? C2 Ag2 Ag1 151.1(3) . 4_565 ? C1 Ag2 Ag1 48.0(3) 4_565 4_565 ? C1 Ag2 Ag1 157.0(3) . 4_565 ? Ag1 Ag2 Ag1 134.68(5) . 4_565 ? O10 Ag2 Ag4 164.1(2) 2_646 . ? O1 Ag2 Ag4 76.7(3) . . ? C2 Ag2 Ag4 42.2(3) . . ? C1 Ag2 Ag4 80.0(3) 4_565 . ? C1 Ag2 Ag4 63.8(3) . . ? Ag1 Ag2 Ag4 112.55(4) . . ? Ag1 Ag2 Ag4 108.98(4) 4_565 . ? O10 Ag2 Ag3 131.5(3) 2_646 . ? O1 Ag2 Ag3 52.4(3) . . ? C2 Ag2 Ag3 42.0(3) . . ? C1 Ag2 Ag3 129.1(3) 4_565 . ? C1 Ag2 Ag3 65.4(2) . . ? Ag1 Ag2 Ag3 91.84(4) . . ? Ag1 Ag2 Ag3 129.03(4) 4_565 . ? Ag4 Ag2 Ag3 51.33(3) . . ? O10 Ag2 Ag3 76.1(3) 2_646 4_565 ? O1 Ag2 Ag3 167.8(3) . 4_565 ? C2 Ag2 Ag3 99.1(3) . 4_565 ? C1 Ag2 Ag3 65.6(3) 4_565 4_565 ? C1 Ag2 Ag3 74.4(2) . 4_565 ? Ag1 Ag2 Ag3 58.90(3) . 4_565 ? Ag1 Ag2 Ag3 89.65(4) 4_565 4_565 ? Ag4 Ag2 Ag3 111.48(5) . 4_565 ? Ag3 Ag2 Ag3 139.72(5) . 4_565 ? O10 Ag2 Ag5 134.9(3) 2_646 . ? O1 Ag2 Ag5 128.8(3) . . ? C2 Ag2 Ag5 52.4(3) . . ? C1 Ag2 Ag5 64.4(3) 4_565 . ? C1 Ag2 Ag5 45.2(2) . . ? Ag1 Ag2 Ag5 80.91(4) . . ? Ag1 Ag2 Ag5 112.39(5) 4_565 . ? Ag4 Ag2 Ag5 52.16(4) . . ? Ag3 Ag2 Ag5 91.06(4) . . ? Ag3 Ag2 Ag5 59.65(4) 4_565 . ? O10 Ag2 Ag6 110.0(2) 2_646 4_565 ? O1 Ag2 Ag6 73.0(3) . 4_565 ? C2 Ag2 Ag6 97.1(3) . 4_565 ? C1 Ag2 Ag6 39.2(3) 4_565 4_565 ? C1 Ag2 Ag6 113.2(3) . 4_565 ? Ag1 Ag2 Ag6 155.87(5) . 4_565 ? Ag1 Ag2 Ag6 53.93(3) 4_565 4_565 ? Ag4 Ag2 Ag6 55.28(3) . 4_565 ? Ag3 Ag2 Ag6 93.54(4) . 4_565 ? Ag3 Ag2 Ag6 103.67(4) 4_565 4_565 ? Ag5 Ag2 Ag6 75.49(4) . 4_565 ? N1 Ag3 C2 160.8(5) . . ? N1 Ag3 Ag4 117.3(3) . . ? C2 Ag3 Ag4 49.6(3) . . ? N1 Ag3 Ag1 69.0(3) . 4_566 ? C2 Ag3 Ag1 114.2(3) . 4_566 ? Ag4 Ag3 Ag1 148.43(6) . 4_566 ? N1 Ag3 Ag2 147.2(3) . . ? C2 Ag3 Ag2 46.4(3) . . ? Ag4 Ag3 Ag2 63.83(4) . . ? Ag1 Ag3 Ag2 129.07(5) 4_566 . ? N1 Ag3 Ag5 104.6(3) . 4_566 ? C2 Ag3 Ag5 59.3(3) . 4_566 ? Ag4 Ag3 Ag5 69.35(4) . 4_566 ? Ag1 Ag3 Ag5 79.11(4) 4_566 4_566 ? Ag2 Ag3 Ag5 105.75(4) . 4_566 ? N1 Ag3 Ag2 122.9(3) . 4_566 ? C2 Ag3 Ag2 60.9(3) . 4_566 ? Ag4 Ag3 Ag2 107.77(4) . 4_566 ? Ag1 Ag3 Ag2 54.41(3) 4_566 4_566 ? Ag2 Ag3 Ag2 83.41(3) . 4_566 ? Ag5 Ag3 Ag2 60.38(3) 4_566 4_566 ? C2 Ag4 O5 139.2(4) . . ? C2 Ag4 O3 132.5(4) . . ? O5 Ag4 O3 87.6(4) . . ? C2 Ag4 Ag3 50.0(3) . . ? O5 Ag4 Ag3 170.7(3) . . ? O3 Ag4 Ag3 83.1(3) . . ? C2 Ag4 Ag5 61.0(3) . . ? O5 Ag4 Ag5 78.3(3) . . ? O3 Ag4 Ag5 160.2(3) . . ? Ag3 Ag4 Ag5 110.67(4) . . ? C2 Ag4 Ag6 109.9(3) . 4_565 ? O5 Ag4 Ag6 67.5(4) . 4_565 ? O3 Ag4 Ag6 75.6(3) . 4_565 ? Ag3 Ag4 Ag6 109.62(5) . 4_565 ? Ag5 Ag4 Ag6 86.13(5) . 4_565 ? C2 Ag4 Ag2 46.9(3) . . ? O5 Ag4 Ag2 119.0(4) . . ? O3 Ag4 Ag2 111.8(3) . . ? Ag3 Ag4 Ag2 64.83(4) . . ? Ag5 Ag4 Ag2 64.85(4) . . ? Ag6 Ag4 Ag2 63.37(4) 4_565 . ? O6 Ag5 O8 97.1(4) . 2_545 ? O6 Ag5 C1 156.7(4) . . ? O8 Ag5 C1 101.4(5) 2_545 . ? O6 Ag5 C2 130.0(4) . . ? O8 Ag5 C2 128.4(4) 2_545 . ? C1 Ag5 C2 28.0(4) . . ? O6 Ag5 Ag4 83.7(2) . . ? O8 Ag5 Ag4 159.2(4) 2_545 . ? C1 Ag5 Ag4 74.0(3) . . ? C2 Ag5 Ag4 46.3(3) . . ? O6 Ag5 Ag6 151.0(3) . . ? O8 Ag5 Ag6 61.5(4) 2_545 . ? C1 Ag5 Ag6 40.4(3) . . ? C2 Ag5 Ag6 67.0(2) . . ? Ag4 Ag5 Ag6 109.42(5) . . ? O6 Ag5 Ag3 119.9(3) . 4_565 ? O8 Ag5 Ag3 75.1(3) 2_545 4_565 ? C1 Ag5 Ag3 78.9(3) . 4_565 ? C2 Ag5 Ag3 94.0(3) . 4_565 ? Ag4 Ag5 Ag3 122.55(5) . 4_565 ? Ag6 Ag5 Ag3 75.61(4) . 4_565 ? O6 Ag5 Ag2 120.5(3) . . ? O8 Ag5 Ag2 131.2(3) 2_545 . ? C1 Ag5 Ag2 54.4(3) . . ? C2 Ag5 Ag2 45.4(2) . . ? Ag4 Ag5 Ag2 62.99(4) . . ? Ag6 Ag5 Ag2 88.29(4) . . ? Ag3 Ag5 Ag2 59.97(4) 4_565 . ? C1 Ag6 O4 174.7(5) . 4_566 ? C1 Ag6 Ag1 53.3(3) . . ? O4 Ag6 Ag1 122.9(3) 4_566 . ? C1 Ag6 Ag4 94.8(3) . 4_566 ? O4 Ag6 Ag4 84.1(3) 4_566 4_566 ? Ag1 Ag6 Ag4 119.00(5) . 4_566 ? C1 Ag6 Ag5 47.3(3) . . ? O4 Ag6 Ag5 137.8(3) 4_566 . ? Ag1 Ag6 Ag5 82.54(4) . . ? Ag4 Ag6 Ag5 114.42(5) 4_566 . ? C1 Ag6 Ag2 54.1(3) . 4_566 ? O4 Ag6 Ag2 121.2(3) 4_566 4_566 ? Ag1 Ag6 Ag2 57.94(3) . 4_566 ? Ag4 Ag6 Ag2 61.35(3) 4_566 4_566 ? Ag5 Ag6 Ag2 100.67(4) . 4_566 ? C2 C1 Ag6 157.9(10) . . ? C2 C1 Ag1 118.4(9) . . ? Ag6 C1 Ag1 80.8(4) . . ? C2 C1 Ag5 87.9(8) . . ? Ag6 C1 Ag5 92.3(4) . . ? Ag1 C1 Ag5 117.9(5) . . ? C2 C1 Ag2 88.7(8) . 4_566 ? Ag6 C1 Ag2 86.6(4) . 4_566 ? Ag1 C1 Ag2 73.5(3) . 4_566 ? Ag5 C1 Ag2 168.2(6) . 4_566 ? C2 C1 Ag2 60.6(7) . . ? Ag6 C1 Ag2 141.1(5) . . ? Ag1 C1 Ag2 69.7(3) . . ? Ag5 C1 Ag2 80.4(3) . . ? Ag2 C1 Ag2 107.6(4) 4_566 . ? C1 C2 Ag4 135.7(9) . . ? C1 C2 Ag3 143.5(9) . . ? Ag4 C2 Ag3 80.4(4) . . ? C1 C2 Ag2 92.4(8) . . ? Ag4 C2 Ag2 90.9(4) . . ? Ag3 C2 Ag2 91.6(4) . . ? C1 C2 Ag5 64.1(7) . . ? Ag4 C2 Ag5 72.7(3) . . ? Ag3 C2 Ag5 152.2(5) . . ? Ag2 C2 Ag5 82.2(3) . . ? O1 C3 O2 130.5(14) . . ? O1 C3 C4 115.0(13) . . ? O2 C3 C4 114.6(12) . . ? F5 C4 F4 108.8(16) . . ? F5 C4 F6 104.4(16) . . ? F4 C4 F6 106.7(15) . . ? F5 C4 C3 115.2(13) . . ? F4 C4 C3 110.5(15) . . ? F6 C4 C3 110.9(13) . . ? O3 C5 O4 129.7(12) . . ? O3 C5 C6 115.6(12) . . ? O4 C5 C6 114.7(12) . . ? F2 C6 F1 102.2(17) . . ? F2 C6 F3 109.3(18) . . ? F1 C6 F3 109.7(18) . . ? F2 C6 C5 109.4(15) . . ? F1 C6 C5 112.7(14) . . ? F3 C6 C5 112.9(14) . . ? O6 C7 O5 123.5(12) . . ? O6 C7 C8 121.2(12) . . ? O5 C7 C8 115.2(12) . . ? C9 C8 C12 120.5(14) . . ? C9 C8 C7 119.0(12) . . ? C12 C8 C7 120.4(13) . . ? C8 C9 C10 119.8(16) . . ? C9 C10 C11 119.8(18) . . ? C13 C11 C10 118.0(16) . . ? C8 C12 C13 123.2(15) . . ? C12 C13 C11 118.6(16) . . ? C12 C13 C14 122.7(17) . . ? C11 C13 C14 118.7(17) . . ? O8 C14 C13 135(2) . . ? O8 C14 O7 108(2) . . ? C13 C14 O7 117.6(15) . . ? O9 C15 O10 126.4(12) . . ? O9 C15 C16 116.4(11) . . ? O10 C15 C16 117.2(11) . . ? C20 C16 C17 121.1(12) . . ? C20 C16 C15 118.5(11) . . ? C17 C16 C15 120.2(11) . . ? C16 C17 C18 119.1(12) . . ? C19 C18 C17 120.3(13) . . ? C18 C19 C21 121.6(13) . . ? C16 C20 C21 118.9(11) . . ? C19 C21 C22 123.4(13) . . ? C19 C21 C20 118.9(11) . . ? C22 C21 C20 117.7(11) . . ? N1 C22 C21 176.3(15) . . ? C22 N1 Ag3 157.1(12) . . ? C3 O1 Ag2 124.6(9) . . ? C3 O2 Ag1 123.3(9) . 4_565 ? C5 O3 Ag4 126.3(9) . . ? C5 O4 Ag6 122.9(9) . 4_565 ? C7 O5 Ag4 131.3(10) . . ? C7 O6 Ag5 123.2(8) . . ? C14 O8 Ag5 139.2(17) . 2 ? C15 O9 Ag1 125.1(8) . 2_656 ? C15 O10 Ag2 118.2(8) . 2_656 ? C15 O10 Ag1 144.8(9) . 3_667 ? Ag2 O10 Ag1 75.9(2) 2_656 3_667 ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.24 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 2.354 _refine_diff_density_min -1.833 _refine_diff_density_rms 0.518 _database_code_depnum_ccdc_archive 'CCDC 956806' ####################################################################### # # 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_5 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C26 H16 Ag8 F12 N2 O16' _chemical_formula_weight 1703.37 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 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 8.2222(7) _cell_length_b 16.2247(14) _cell_length_c 16.4614(14) _cell_angle_alpha 93.275(2) _cell_angle_beta 95.7970(10) _cell_angle_gamma 97.8950(10) _cell_volume 2158.4(3) _cell_formula_units_Z 2 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 38234 _cell_measurement_theta_min 2.494 _cell_measurement_theta_max 27.937 _exptl_crystal_description prism _exptl_crystal_colour colorless _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 2.565 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1556 _exptl_absorpt_coefficient_mu 3.660 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5281 _exptl_absorpt_correction_T_max 0.5587 _exptl_absorpt_process_details SADABS _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 32274 _diffrn_reflns_av_R_equivalents 0.0892 _diffrn_reflns_av_sigmaI/netI 0.0948 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 1.25 _diffrn_reflns_theta_max 27.98 _reflns_number_total 10298 _reflns_number_gt 8480 _reflns_threshold_expression >2sigma(I) _computing_data_collection APEX2(Bruker,2003) _computing_cell_refinement SAINT(Bruker,2001) _computing_data_reduction APEX2(Bruker,2003) _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. The maximum residual electron density is close to the Ag7, and the distance between them is 0.82. ; _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^)+(0.1771P)^2^+0.0000P] 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 10298 _refine_ls_number_parameters 642 _refine_ls_number_restraints 24 _refine_ls_R_factor_all 0.1017 _refine_ls_R_factor_gt 0.0901 _refine_ls_wR_factor_ref 0.2435 _refine_ls_wR_factor_gt 0.2299 _refine_ls_goodness_of_fit_ref 1.052 _refine_ls_restrained_S_all 1.055 _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 0.52053(7) 0.56661(4) 0.55714(4) 0.02057(18) Uani 1 1 d . . . Ag2 Ag 0.86810(7) 0.60514(4) 0.63444(4) 0.02207(19) Uani 1 1 d . . . Ag3 Ag 0.81738(8) 0.41957(4) 0.60770(4) 0.02374(19) Uani 1 1 d . . . Ag4 Ag 0.81583(8) 0.34626(4) 0.44151(4) 0.02375(19) Uani 1 1 d . . . Ag5 Ag 0.83327(7) 0.49037(4) 0.34775(4) 0.02229(18) Uani 1 1 d . . . Ag6 Ag 0.84632(8) 0.63660(4) 0.45633(4) 0.02309(19) Uani 1 1 d . . . Ag7 Ag 0.54569(13) 0.76279(5) 0.68416(7) 0.0494(3) Uani 1 1 d . . . Ag8 Ag 0.47232(13) 0.36038(6) 0.72300(5) 0.0424(2) Uani 1 1 d . . . C1 C 0.7646(9) 0.5253(5) 0.5260(5) 0.0178(15) Uani 1 1 d . . . C2 C 0.7706(9) 0.4729(6) 0.4705(6) 0.0218(17) Uani 1 1 d . . . C3 C 0.5413(10) 0.5810(5) 0.7400(5) 0.0197(16) Uani 1 1 d . . . C4 C 0.5528(9) 0.5990(6) 0.8294(5) 0.0207(16) Uani 1 1 d . . . C5 C 0.4293(11) 0.5615(7) 0.8729(6) 0.029(2) Uani 1 1 d . . . H5 H 0.3435 0.5234 0.8458 0.035 Uiso 1 1 calc R . . C6 C 0.4334(12) 0.5806(7) 0.9563(6) 0.034(2) Uani 1 1 d . . . H6 H 0.3481 0.5581 0.9850 0.041 Uiso 1 1 calc R . . C7 C 0.5675(13) 0.6339(7) 0.9957(6) 0.035(2) Uani 1 1 d . . . C8 C 0.6939(14) 0.6716(8) 0.9530(7) 0.042(3) Uani 1 1 d . . . H8 H 0.7822 0.7076 0.9809 0.050 Uiso 1 1 calc R . . C9 C 0.6865(11) 0.6551(7) 0.8694(6) 0.035(2) Uani 1 1 d . . . H9 H 0.7682 0.6805 0.8401 0.042 Uiso 1 1 calc R . . C10 C 0.5689(13) 0.6502(8) 1.0838(6) 0.038(2) Uani 1 1 d . . . C11 C 0.5064(9) 0.7213(5) 0.4584(5) 0.0191(16) Uani 1 1 d . . . C12 C 0.5072(9) 0.8048(5) 0.4261(5) 0.0175(15) Uani 1 1 d . . . C13 C 0.4004(11) 0.8567(6) 0.4566(6) 0.0266(19) Uani 1 1 d . . . H13 H 0.3340 0.8391 0.4966 0.032 Uiso 1 1 calc R . . C14 C 0.3950(12) 0.9345(6) 0.4263(6) 0.032(2) Uani 1 1 d . . . H14 H 0.3235 0.9687 0.4458 0.038 Uiso 1 1 calc R . . C15 C 0.4947(13) 0.9617(6) 0.3675(6) 0.030(2) Uani 1 1 d . . . C16 C 0.6037(13) 0.9100(6) 0.3378(7) 0.034(2) Uani 1 1 d . . . H16 H 0.6720 0.9279 0.2987 0.041 Uiso 1 1 calc R . . C17 C 0.6074(11) 0.8320(6) 0.3678(6) 0.0274(19) Uani 1 1 d . . . H17 H 0.6785 0.7975 0.3484 0.033 Uiso 1 1 calc R . . C18 C 0.4885(14) 1.0436(6) 0.3405(7) 0.038(2) Uani 1 1 d . . . C19 C 1.1473(11) 0.6962(6) 0.7560(6) 0.0251(18) Uani 1 1 d . . . C20 C 1.2034(14) 0.7561(8) 0.8324(7) 0.043(3) Uani 1 1 d . . . C21 C 0.9848(10) 0.7982(5) 0.5727(6) 0.0235(17) Uani 1 1 d . . . C22 C 0.9790(13) 0.8915(7) 0.5954(9) 0.044(3) Uani 1 1 d . . . C23 C 1.0354(12) 0.7320(6) 0.3288(6) 0.033(2) Uani 1 1 d . . . C24 C 1.0375(15) 0.7997(10) 0.2682(11) 0.066(5) Uani 1 1 d . . . C25 C 1.0534(11) 0.5384(7) 0.2120(6) 0.031(2) Uani 1 1 d . A . C26 C 1.0598(15) 0.5493(12) 0.1203(7) 0.059(4) Uani 1 1 d . . . F1 F 1.1360(18) 0.8202(7) 0.8333(9) 0.138(6) Uani 1 1 d . . . F2 F 1.1574(15) 0.7202(9) 0.8987(6) 0.110(4) Uani 1 1 d . . . F3 F 1.3641(10) 0.7735(6) 0.8488(6) 0.082(3) Uani 1 1 d . . . F4 F 0.8472(13) 0.9151(6) 0.5715(11) 0.134(6) Uani 1 1 d . . . F5 F 0.984(4) 0.9039(10) 0.6713(10) 0.267(16) Uani 1 1 d . . . F6 F 1.1032(14) 0.9387(6) 0.5769(13) 0.153(8) Uani 1 1 d . . . F7 F 1.0144(18) 0.8736(7) 0.3091(10) 0.129(6) Uani 1 1 d . . . F8 F 0.9183(16) 0.7953(9) 0.2168(9) 0.083(4) Uani 0.75 1 d PU . . F9 F 1.1839(11) 0.8245(7) 0.2456(7) 0.093(4) Uani 1 1 d . . . F10 F 0.958(6) 0.594(4) 0.091(3) 0.102(17) Uani 0.53(3) 1 d P A 1 F11 F 1.196(2) 0.5619(17) 0.0953(13) 0.068(6) Uani 0.53(3) 1 d PU A 1 F12 F 0.994(3) 0.4709(16) 0.0814(10) 0.104(11) Uani 0.53(3) 1 d P A 1 F8' F 0.985(5) 0.750(3) 0.190(3) 0.079(11) Uani 0.25 1 d PU . . F10' F 1.159(3) 0.6309(16) 0.1141(14) 0.089(8) Uani 0.47(3) 1 d PU A 2 F11' F 1.160(4) 0.5119(18) 0.0884(12) 0.083(11) Uani 0.47(3) 1 d P A 2 F12' F 0.928(5) 0.560(4) 0.081(3) 0.072(18) Uani 0.47(3) 1 d P A 2 N1 N 0.5648(12) 0.6595(6) 1.1525(5) 0.042(2) Uani 1 1 d . . . N2 N 0.4805(14) 1.1095(6) 0.3202(6) 0.047(2) Uani 1 1 d . . . O1 O 0.4623(7) 0.5120(4) 0.7077(4) 0.0235(13) Uani 1 1 d . . . O2 O 0.6113(7) 0.6349(4) 0.6963(4) 0.0207(12) Uani 1 1 d . . . O3 O 0.4747(7) 0.7102(4) 0.5297(4) 0.0214(12) Uani 1 1 d . . . O4 O 0.5415(8) 0.6616(4) 0.4119(4) 0.0237(13) Uani 1 1 d . . . O5 O 0.9962(9) 0.6798(6) 0.7412(5) 0.0431(19) Uani 1 1 d . . . O6 O 1.2552(8) 0.6732(5) 0.7178(4) 0.0349(16) Uani 1 1 d . . . O7 O 0.8523(9) 0.7554(5) 0.5557(7) 0.060(3) Uani 1 1 d . . . O8 O 1.1264(9) 0.7798(4) 0.5747(5) 0.0369(17) Uani 1 1 d . . . O9 O 0.8982(11) 0.7137(6) 0.3537(6) 0.050(2) Uani 1 1 d . . . O10 O 1.1634(9) 0.7026(5) 0.3419(6) 0.042(2) Uani 1 1 d . . . O11 O 0.9137(8) 0.5312(5) 0.2344(4) 0.0335(16) Uani 1 1 d . . . O12 O 1.1904(9) 0.5360(6) 0.2540(5) 0.0413(19) Uani 1 1 d . . . O1W O 0.422(7) 0.991(4) 0.129(4) 0.092(15) Uiso 0.25 1 d P . . O2W O 1.015(6) 1.000(3) 0.129(3) 0.073(12) Uiso 0.25 1 d P . . O3W O 0.769(7) 0.998(4) 0.867(4) 0.100(17) Uiso 0.25 1 d P . . O4W O 0.718(7) 0.977(3) 0.122(3) 0.088(15) Uiso 0.25 1 d P . . O5W O 0.424(6) 0.935(3) 0.090(3) 0.081(13) Uiso 0.25 1 d P . . O6W O 0.589(7) 0.994(4) 0.129(4) 0.089(15) Uiso 0.25 1 d P . . O7W O 0.886(6) 0.994(3) 0.132(3) 0.075(12) Uiso 0.25 1 d P . . O8W O 0.261(6) 0.942(3) 0.093(3) 0.084(14) Uiso 0.25 1 d P . . O9W O 0.571(6) 0.938(3) 0.086(3) 0.081(13) Uiso 0.25 1 d P . . O10W O 0.691(7) 0.891(4) 0.047(4) 0.103(17) Uiso 0.25 1 d P . . O11W O 0.863(6) 0.893(3) 0.045(3) 0.079(13) Uiso 0.25 1 d P . . O12W O 0.341(8) 0.878(4) 0.046(4) 0.091(15) Uiso 0.25 1 d P . . O13W O 0.977(7) 0.944(4) 0.087(3) 0.086(14) Uiso 0.25 1 d P . . O14W O 0.043(6) 0.892(3) 0.045(3) 0.086(14) Uiso 0.25 1 d P . . O15W O 0.218(6) 0.879(3) 0.045(3) 0.077(13) Uiso 0.25 1 d P . . O16W O 0.473(8) 0.884(4) 0.045(4) 0.093(16) Uiso 0.25 1 d P . . 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 0.0137(3) 0.0262(4) 0.0219(4) -0.0038(3) 0.0021(2) 0.0055(2) Ag2 0.0168(3) 0.0283(4) 0.0208(4) -0.0037(3) 0.0036(2) 0.0031(2) Ag3 0.0282(3) 0.0239(4) 0.0183(3) 0.0060(3) -0.0016(3) 0.0020(3) Ag4 0.0214(3) 0.0225(3) 0.0295(4) 0.0007(3) 0.0089(3) 0.0070(2) Ag5 0.0199(3) 0.0303(4) 0.0169(3) 0.0008(3) 0.0036(2) 0.0037(2) Ag6 0.0260(3) 0.0200(3) 0.0244(4) 0.0055(3) 0.0042(3) 0.0048(2) Ag7 0.0697(6) 0.0192(4) 0.0606(6) 0.0036(4) 0.0022(5) 0.0142(4) Ag8 0.0718(6) 0.0390(5) 0.0201(4) 0.0072(3) 0.0092(4) 0.0161(4) C1 0.020(4) 0.018(4) 0.017(4) 0.006(3) 0.002(3) 0.009(3) C2 0.012(3) 0.027(4) 0.027(5) 0.003(4) 0.002(3) 0.005(3) C3 0.021(4) 0.022(4) 0.017(4) 0.005(3) 0.001(3) 0.007(3) C4 0.013(3) 0.029(4) 0.020(4) 0.003(3) 0.001(3) 0.000(3) C5 0.024(4) 0.041(5) 0.022(5) 0.004(4) 0.003(3) -0.004(4) C6 0.031(5) 0.054(7) 0.017(4) 0.010(4) 0.007(4) -0.002(4) C7 0.044(6) 0.044(6) 0.017(5) 0.001(4) 0.007(4) 0.003(5) C8 0.043(6) 0.048(6) 0.024(5) -0.013(5) 0.001(4) -0.018(5) C9 0.025(4) 0.051(6) 0.024(5) -0.004(4) 0.007(4) -0.009(4) C10 0.041(5) 0.054(7) 0.019(5) 0.003(5) 0.007(4) 0.004(5) C11 0.017(3) 0.019(4) 0.021(4) 0.005(3) -0.002(3) 0.006(3) C12 0.019(3) 0.012(4) 0.020(4) -0.002(3) -0.001(3) 0.001(3) C13 0.033(5) 0.023(4) 0.027(5) 0.003(4) 0.013(4) 0.010(4) C14 0.036(5) 0.022(5) 0.037(6) 0.000(4) 0.007(4) 0.007(4) C15 0.042(5) 0.019(4) 0.032(5) 0.010(4) 0.006(4) 0.008(4) C16 0.047(6) 0.019(4) 0.038(6) 0.001(4) 0.016(5) -0.002(4) C17 0.031(4) 0.026(5) 0.031(5) 0.002(4) 0.014(4) 0.015(4) C18 0.050(6) 0.026(5) 0.040(6) 0.016(5) 0.011(5) 0.009(4) C19 0.025(4) 0.025(4) 0.023(4) -0.005(4) 0.000(3) 0.002(3) C20 0.041(6) 0.045(7) 0.039(6) -0.024(5) -0.005(5) 0.013(5) C21 0.027(4) 0.016(4) 0.031(5) 0.005(3) 0.003(3) 0.010(3) C22 0.038(6) 0.024(5) 0.071(9) -0.004(5) 0.016(5) 0.009(4) C23 0.034(5) 0.031(5) 0.034(5) 0.011(4) 0.001(4) 0.008(4) C24 0.036(6) 0.081(11) 0.093(12) 0.068(10) 0.019(7) 0.015(6) C25 0.029(5) 0.041(6) 0.022(5) 0.003(4) 0.002(4) 0.009(4) C26 0.036(6) 0.118(13) 0.026(6) 0.013(7) 0.010(5) 0.016(7) F1 0.156(11) 0.080(8) 0.162(13) -0.088(8) -0.067(10) 0.069(8) F2 0.118(9) 0.158(12) 0.038(5) -0.032(6) 0.021(5) -0.025(8) F3 0.048(4) 0.097(7) 0.086(7) -0.049(6) -0.017(4) -0.004(4) F4 0.078(7) 0.038(5) 0.28(2) -0.017(8) -0.018(9) 0.038(5) F5 0.64(5) 0.086(11) 0.100(12) -0.028(9) 0.04(2) 0.14(2) F6 0.077(7) 0.031(5) 0.36(3) -0.010(8) 0.085(10) -0.008(4) F7 0.157(12) 0.059(7) 0.199(15) 0.070(8) 0.074(11) 0.051(7) F8 0.080(7) 0.090(7) 0.075(7) 0.065(6) -0.019(5) -0.005(6) F9 0.066(5) 0.101(8) 0.124(9) 0.088(7) 0.030(6) 0.008(5) F10 0.11(4) 0.18(5) 0.05(2) 0.07(3) 0.03(2) 0.08(3) F11 0.052(7) 0.097(11) 0.060(9) 0.016(8) 0.022(6) 0.011(8) F12 0.128(19) 0.13(2) 0.028(9) -0.025(10) 0.017(10) -0.055(16) F8' 0.083(14) 0.082(14) 0.068(14) 0.013(9) -0.001(9) 0.006(9) F10' 0.097(11) 0.087(11) 0.078(11) 0.038(8) 0.009(8) -0.022(8) F11' 0.15(3) 0.095(19) 0.039(11) 0.030(12) 0.060(14) 0.09(2) F12' 0.028(9) 0.15(5) 0.035(12) 0.04(2) -0.009(8) 0.001(18) N1 0.056(6) 0.043(5) 0.021(4) -0.004(4) 0.001(4) -0.008(4) N2 0.078(7) 0.024(5) 0.042(6) 0.007(4) 0.015(5) 0.009(4) O1 0.019(3) 0.029(3) 0.021(3) -0.001(3) -0.002(2) 0.001(2) O2 0.025(3) 0.021(3) 0.019(3) 0.005(2) 0.007(2) 0.009(2) O3 0.022(3) 0.023(3) 0.020(3) 0.001(2) 0.006(2) 0.003(2) O4 0.031(3) 0.023(3) 0.020(3) 0.004(2) 0.007(2) 0.011(2) O5 0.028(3) 0.067(5) 0.031(4) -0.016(4) 0.005(3) 0.001(3) O6 0.023(3) 0.045(4) 0.032(4) -0.013(3) -0.003(3) 0.002(3) O7 0.026(4) 0.034(4) 0.118(9) -0.014(5) -0.006(4) 0.009(3) O8 0.031(3) 0.026(4) 0.055(5) 0.001(3) 0.011(3) 0.005(3) O9 0.054(5) 0.055(5) 0.056(5) 0.037(4) 0.029(4) 0.027(4) O10 0.029(4) 0.031(4) 0.071(6) 0.023(4) 0.006(4) 0.006(3) O11 0.024(3) 0.055(5) 0.021(3) 0.006(3) 0.003(2) 0.003(3) O12 0.033(4) 0.066(6) 0.027(4) 0.001(4) 0.005(3) 0.014(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 C1 2.298(8) . ? Ag1 C2 2.382(8) 2_666 ? Ag1 O3 2.470(6) . ? Ag1 O2 2.483(6) . ? Ag1 Ag1 2.7444(13) 2_666 ? Ag1 Ag2 2.9767(9) . ? Ag1 Ag4 3.2757(9) 2_666 ? Ag2 O5 2.168(7) . ? Ag2 C1 2.172(8) . ? Ag2 O2 2.526(5) . ? Ag2 Ag3 2.9832(10) . ? Ag2 Ag6 2.9964(10) . ? Ag2 Ag4 3.0239(9) 2_766 ? Ag2 Ag5 3.0770(9) 2_766 ? Ag3 O10 2.211(7) 2_766 ? Ag3 C1 2.300(8) . ? Ag3 O12 2.358(8) 2_766 ? Ag3 C2 2.477(9) . ? Ag3 Ag4 2.9183(10) . ? Ag3 Ag5 3.0369(10) 2_766 ? Ag3 Ag6 3.2801(9) 2_766 ? Ag4 O8 2.170(7) 2_766 ? Ag4 C2 2.173(9) . ? Ag4 O3 2.539(6) 2_666 ? Ag4 Ag5 2.8696(10) . ? Ag4 Ag2 3.0239(9) 2_766 ? Ag4 Ag6 3.0680(10) 2_766 ? Ag4 Ag1 3.2757(9) 2_666 ? Ag5 O11 2.151(7) . ? Ag5 C2 2.160(9) . ? Ag5 O1 2.503(6) 2_666 ? Ag5 Ag6 2.8709(10) . ? Ag5 Ag3 3.0369(9) 2_766 ? Ag5 Ag2 3.0770(9) 2_766 ? Ag6 O9 2.200(8) . ? Ag6 C1 2.255(8) . ? Ag6 O7 2.448(9) . ? Ag6 C2 2.673(9) . ? Ag6 Ag4 3.0680(10) 2_766 ? Ag6 Ag3 3.2801(9) 2_766 ? Ag7 N2 2.117(9) 2_676 ? Ag7 O2 2.230(6) . ? Ag8 N1 2.138(9) 2_667 ? Ag8 O4 2.218(6) 2_666 ? Ag8 O1 2.498(7) . ? C1 C2 1.221(12) . ? C2 Ag1 2.382(8) 2_666 ? C3 O1 1.274(11) . ? C3 O2 1.276(10) . ? C3 C4 1.475(12) . ? C4 C5 1.394(11) . ? C4 C9 1.408(12) . ? C5 C6 1.385(13) . ? C6 C7 1.384(15) . ? C7 C8 1.404(15) . ? C7 C10 1.457(13) . ? C8 C9 1.381(14) . ? C10 N1 1.138(13) . ? C11 O3 1.246(10) . ? C11 O4 1.283(10) . ? C11 C12 1.483(11) . ? C12 C17 1.379(12) . ? C12 C13 1.405(11) . ? C13 C14 1.387(14) . ? C14 C15 1.384(14) . ? C15 C16 1.412(14) . ? C15 C18 1.432(13) . ? C16 C17 1.388(14) . ? C18 N2 1.145(14) . ? C19 O6 1.224(11) . ? C19 O5 1.231(11) . ? C19 C20 1.536(13) . ? C20 F1 1.244(15) . ? C20 F3 1.309(14) . ? C20 F2 1.330(17) . ? C21 O7 1.206(12) . ? C21 O8 1.239(11) . ? C21 C22 1.546(13) . ? C22 F4 1.233(15) . ? C22 F5 1.25(2) . ? C22 F6 1.264(14) . ? C23 O10 1.219(12) . ? C23 O9 1.243(13) . ? C23 C24 1.525(15) . ? C24 F8 1.220(18) . ? C24 F9 1.313(14) . ? C24 F7 1.39(2) . ? C24 F8' 1.48(5) . ? C25 O11 1.234(11) . ? C25 O12 1.268(12) . ? C25 C26 1.535(15) . ? C26 F11 1.23(2) . ? C26 F11' 1.23(2) . ? C26 F12' 1.24(5) . ? C26 F10 1.26(6) . ? C26 F12 1.40(3) . ? C26 F10' 1.47(3) . ? F8 F8' 1.08(4) . ? N1 Ag8 2.138(9) 2_667 ? N2 Ag7 2.117(9) 2_676 ? O1 Ag5 2.503(6) 2_666 ? O3 Ag4 2.539(6) 2_666 ? O4 Ag8 2.218(6) 2_666 ? O8 Ag4 2.170(7) 2_766 ? O10 Ag3 2.211(7) 2_766 ? O12 Ag3 2.358(8) 2_766 ? O1W O5W 1.07(7) . ? O1W O6W 1.37(7) . ? O1W O8W 1.49(7) . ? O1W O3W 1.62(8) 2_676 ? O1W O9W 1.77(8) . ? O2W O7W 1.06(6) . ? O2W O13W 1.09(6) . ? O2W O3W 1.76(7) 2_776 ? O3W O8W 1.21(7) 2_676 ? O3W O1W 1.62(8) 2_676 ? O3W O2W 1.76(7) 2_776 ? O4W O6W 1.14(7) . ? O4W O9W 1.34(7) . ? O4W O7W 1.36(7) . ? O4W O10W 1.79(8) . ? O5W O9W 1.22(7) . ? O5W O16W 1.22(7) . ? O5W O12W 1.23(7) . ? O5W O8W 1.36(7) . ? O5W O6W 1.60(8) . ? O6W O9W 1.10(7) . ? O7W O13W 1.41(7) . ? O8W O3W 1.21(7) 2_676 ? O8W O15W 1.24(7) . ? O8W O12W 1.52(8) . ? O9W O16W 1.23(7) . ? O9W O10W 1.50(8) . ? O10W O11W 1.41(7) . ? O10W O16W 1.78(9) . ? O11W O13W 1.28(7) . ? O11W O14W 1.48(7) 1_655 ? O12W O15W 1.02(6) . ? O12W O16W 1.08(7) . ? O13W O14W 1.27(7) 1_655 ? O14W O13W 1.27(7) 1_455 ? O14W O15W 1.48(7) . ? O14W O11W 1.48(7) 1_455 ? 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 C2 141.0(3) . 2_666 ? C1 Ag1 O3 117.7(2) . . ? C2 Ag1 O3 87.4(3) 2_666 . ? C1 Ag1 O2 99.7(2) . . ? C2 Ag1 O2 114.0(3) 2_666 . ? O3 Ag1 O2 81.30(19) . . ? C1 Ag1 Ag1 66.3(2) . 2_666 ? C2 Ag1 Ag1 74.8(2) 2_666 2_666 ? O3 Ag1 Ag1 125.70(15) . 2_666 ? O2 Ag1 Ag1 152.76(14) . 2_666 ? C1 Ag1 Ag2 46.5(2) . . ? C2 Ag1 Ag2 165.4(2) 2_666 . ? O3 Ag1 Ag2 98.23(14) . . ? O2 Ag1 Ag2 54.22(13) . . ? Ag1 Ag1 Ag2 111.71(3) 2_666 . ? C1 Ag1 Ag4 164.7(2) . 2_666 ? C2 Ag1 Ag4 41.5(2) 2_666 2_666 ? O3 Ag1 Ag4 50.07(13) . 2_666 ? O2 Ag1 Ag4 88.04(13) . 2_666 ? Ag1 Ag1 Ag4 111.46(3) 2_666 2_666 ? Ag2 Ag1 Ag4 136.42(3) . 2_666 ? O5 Ag2 C1 173.8(3) . . ? O5 Ag2 O2 83.9(2) . . ? C1 Ag2 O2 101.9(2) . . ? O5 Ag2 Ag1 136.03(19) . . ? C1 Ag2 Ag1 50.1(2) . . ? O2 Ag2 Ag1 52.88(14) . . ? O5 Ag2 Ag3 127.1(3) . . ? C1 Ag2 Ag3 50.0(2) . . ? O2 Ag2 Ag3 103.26(14) . . ? Ag1 Ag2 Ag3 76.98(2) . . ? O5 Ag2 Ag6 131.1(2) . . ? C1 Ag2 Ag6 48.6(2) . . ? O2 Ag2 Ag6 111.35(14) . . ? Ag1 Ag2 Ag6 69.17(2) . . ? Ag3 Ag2 Ag6 95.39(3) . . ? O5 Ag2 Ag4 84.51(19) . 2_766 ? C1 Ag2 Ag4 90.8(2) . 2_766 ? O2 Ag2 Ag4 154.01(14) . 2_766 ? Ag1 Ag2 Ag4 130.21(3) . 2_766 ? Ag3 Ag2 Ag4 102.29(2) . 2_766 ? Ag6 Ag2 Ag4 61.27(2) . 2_766 ? O5 Ag2 Ag5 83.9(2) . 2_766 ? C1 Ag2 Ag5 90.2(2) . 2_766 ? O2 Ag2 Ag5 144.79(14) . 2_766 ? Ag1 Ag2 Ag5 135.39(3) . 2_766 ? Ag3 Ag2 Ag5 60.12(2) . 2_766 ? Ag6 Ag2 Ag5 101.49(2) . 2_766 ? Ag4 Ag2 Ag5 56.11(2) 2_766 2_766 ? O10 Ag3 C1 165.1(3) 2_766 . ? O10 Ag3 O12 83.3(3) 2_766 2_766 ? C1 Ag3 O12 109.6(3) . 2_766 ? O10 Ag3 C2 136.9(3) 2_766 . ? C1 Ag3 C2 29.3(3) . . ? O12 Ag3 C2 138.7(3) 2_766 . ? O10 Ag3 Ag4 90.9(2) 2_766 . ? C1 Ag3 Ag4 75.9(2) . . ? O12 Ag3 Ag4 173.8(2) 2_766 . ? C2 Ag3 Ag4 46.6(2) . . ? O10 Ag3 Ag2 148.5(2) 2_766 . ? C1 Ag3 Ag2 46.3(2) . . ? O12 Ag3 Ag2 68.0(2) 2_766 . ? C2 Ag3 Ag2 74.0(2) . . ? Ag4 Ag3 Ag2 118.10(3) . . ? O10 Ag3 Ag5 101.4(2) 2_766 2_766 ? C1 Ag3 Ag5 88.8(2) . 2_766 ? O12 Ag3 Ag5 78.79(19) 2_766 2_766 ? C2 Ag3 Ag5 97.06(18) . 2_766 ? Ag4 Ag3 Ag5 104.62(3) . 2_766 ? Ag2 Ag3 Ag5 61.47(2) . 2_766 ? O10 Ag3 Ag6 75.2(2) 2_766 2_766 ? C1 Ag3 Ag6 102.93(19) . 2_766 ? O12 Ag3 Ag6 121.12(18) 2_766 2_766 ? C2 Ag3 Ag6 85.23(18) . 2_766 ? Ag4 Ag3 Ag6 58.99(2) . 2_766 ? Ag2 Ag3 Ag6 107.98(2) . 2_766 ? Ag5 Ag3 Ag6 53.90(2) 2_766 2_766 ? O8 Ag4 C2 174.1(3) 2_766 . ? O8 Ag4 O3 90.5(2) 2_766 2_666 ? C2 Ag4 O3 90.4(2) . 2_666 ? O8 Ag4 Ag5 136.0(2) 2_766 . ? C2 Ag4 Ag5 48.3(2) . . ? O3 Ag4 Ag5 113.91(14) 2_666 . ? O8 Ag4 Ag3 118.5(2) 2_766 . ? C2 Ag4 Ag3 55.9(2) . . ? O3 Ag4 Ag3 79.60(14) 2_666 . ? Ag5 Ag4 Ag3 102.17(3) . . ? O8 Ag4 Ag2 84.50(19) 2_766 2_766 ? C2 Ag4 Ag2 96.0(2) . 2_766 ? O3 Ag4 Ag2 165.98(14) 2_666 2_766 ? Ag5 Ag4 Ag2 62.88(2) . 2_766 ? Ag3 Ag4 Ag2 114.29(3) . 2_766 ? O8 Ag4 Ag6 79.1(2) 2_766 2_766 ? C2 Ag4 Ag6 96.1(2) . 2_766 ? O3 Ag4 Ag6 132.87(14) 2_666 2_766 ? Ag5 Ag4 Ag6 104.71(3) . 2_766 ? Ag3 Ag4 Ag6 66.39(2) . 2_766 ? Ag2 Ag4 Ag6 58.92(2) 2_766 2_766 ? O8 Ag4 Ag1 136.20(19) 2_766 2_666 ? C2 Ag4 Ag1 46.6(2) . 2_666 ? O3 Ag4 Ag1 48.25(14) 2_666 2_666 ? Ag5 Ag4 Ag1 68.63(2) . 2_666 ? Ag3 Ag4 Ag1 73.61(2) . 2_666 ? Ag2 Ag4 Ag1 131.48(3) 2_766 2_666 ? Ag6 Ag4 Ag1 137.07(3) 2_766 2_666 ? O11 Ag5 C2 169.3(3) . . ? O11 Ag5 O1 90.7(2) . 2_666 ? C2 Ag5 O1 92.6(2) . 2_666 ? O11 Ag5 Ag4 140.1(2) . . ? C2 Ag5 Ag4 48.7(2) . . ? O1 Ag5 Ag4 102.12(15) 2_666 . ? O11 Ag5 Ag6 107.3(2) . . ? C2 Ag5 Ag6 62.3(2) . . ? O1 Ag5 Ag6 94.90(15) 2_666 . ? Ag4 Ag5 Ag6 109.02(3) . . ? O11 Ag5 Ag3 74.69(18) . 2_766 ? C2 Ag5 Ag3 97.9(2) . 2_766 ? O1 Ag5 Ag3 151.51(15) 2_666 2_766 ? Ag4 Ag5 Ag3 104.71(3) . 2_766 ? Ag6 Ag5 Ag3 67.38(2) . 2_766 ? O11 Ag5 Ag2 87.97(19) . 2_766 ? C2 Ag5 Ag2 94.7(2) . 2_766 ? O1 Ag5 Ag2 147.05(15) 2_666 2_766 ? Ag4 Ag5 Ag2 61.01(2) . 2_766 ? Ag6 Ag5 Ag2 116.88(3) . 2_766 ? Ag3 Ag5 Ag2 58.41(2) 2_766 2_766 ? O9 Ag6 C1 160.6(4) . . ? O9 Ag6 O7 94.7(4) . . ? C1 Ag6 O7 103.6(3) . . ? O9 Ag6 C2 134.3(3) . . ? C1 Ag6 C2 27.0(3) . . ? O7 Ag6 C2 130.7(3) . . ? O9 Ag6 Ag5 88.9(3) . . ? C1 Ag6 Ag5 72.7(2) . . ? O7 Ag6 Ag5 176.4(3) . . ? C2 Ag6 Ag5 45.70(19) . . ? O9 Ag6 Ag2 152.9(3) . . ? C1 Ag6 Ag2 46.2(2) . . ? O7 Ag6 Ag2 61.9(3) . . ? C2 Ag6 Ag2 71.18(19) . . ? Ag5 Ag6 Ag2 114.65(3) . . ? O9 Ag6 Ag4 102.8(2) . 2_766 ? C1 Ag6 Ag4 88.2(2) . 2_766 ? O7 Ag6 Ag4 74.49(19) . 2_766 ? C2 Ag6 Ag4 95.21(17) . 2_766 ? Ag5 Ag6 Ag4 104.99(3) . 2_766 ? Ag2 Ag6 Ag4 59.80(2) . 2_766 ? O9 Ag6 Ag3 74.7(2) . 2_766 ? C1 Ag6 Ag3 99.80(19) . 2_766 ? O7 Ag6 Ag3 122.56(18) . 2_766 ? C2 Ag6 Ag3 82.76(16) . 2_766 ? Ag5 Ag6 Ag3 58.72(2) . 2_766 ? Ag2 Ag6 Ag3 105.29(3) . 2_766 ? Ag4 Ag6 Ag3 54.61(2) 2_766 2_766 ? N2 Ag7 O2 171.6(4) 2_676 . ? N1 Ag8 O4 160.3(3) 2_667 2_666 ? N1 Ag8 O1 106.0(3) 2_667 . ? O4 Ag8 O1 89.9(2) 2_666 . ? C2 C1 Ag2 153.6(7) . . ? C2 C1 Ag6 95.9(6) . . ? Ag2 C1 Ag6 85.2(3) . . ? C2 C1 Ag1 122.4(6) . . ? Ag2 C1 Ag1 83.5(3) . . ? Ag6 C1 Ag1 96.3(3) . . ? C2 C1 Ag3 83.4(6) . . ? Ag2 C1 Ag3 83.6(3) . . ? Ag6 C1 Ag3 152.2(4) . . ? Ag1 C1 Ag3 107.6(3) . . ? C1 C2 Ag5 129.0(7) . . ? C1 C2 Ag4 144.7(7) . . ? Ag5 C2 Ag4 82.9(3) . . ? C1 C2 Ag1 95.8(6) . 2_666 ? Ag5 C2 Ag1 99.9(3) . 2_666 ? Ag4 C2 Ag1 91.9(3) . 2_666 ? C1 C2 Ag3 67.3(5) . . ? Ag5 C2 Ag3 152.4(4) . . ? Ag4 C2 Ag3 77.5(3) . . ? Ag1 C2 Ag3 100.0(3) 2_666 . ? C1 C2 Ag6 57.1(5) . . ? Ag5 C2 Ag6 72.0(3) . . ? Ag4 C2 Ag6 149.2(4) . . ? Ag1 C2 Ag6 109.5(3) 2_666 . ? Ag3 C2 Ag6 118.3(3) . . ? O1 C3 O2 121.2(8) . . ? O1 C3 C4 119.4(7) . . ? O2 C3 C4 119.4(8) . . ? C5 C4 C9 120.8(8) . . ? C5 C4 C3 119.6(8) . . ? C9 C4 C3 119.6(7) . . ? C6 C5 C4 120.5(9) . . ? C7 C6 C5 118.3(9) . . ? C6 C7 C8 121.9(9) . . ? C6 C7 C10 116.4(9) . . ? C8 C7 C10 121.7(10) . . ? C9 C8 C7 119.7(9) . . ? C8 C9 C4 118.6(9) . . ? N1 C10 C7 176.7(13) . . ? O3 C11 O4 121.0(8) . . ? O3 C11 C12 120.4(8) . . ? O4 C11 C12 118.6(7) . . ? C17 C12 C13 120.0(8) . . ? C17 C12 C11 122.3(7) . . ? C13 C12 C11 117.7(7) . . ? C14 C13 C12 119.3(8) . . ? C15 C14 C13 120.8(9) . . ? C14 C15 C16 119.8(9) . . ? C14 C15 C18 118.5(9) . . ? C16 C15 C18 121.7(9) . . ? C17 C16 C15 119.1(9) . . ? C12 C17 C16 121.0(8) . . ? N2 C18 C15 178.3(12) . . ? O6 C19 O5 129.2(9) . . ? O6 C19 C20 117.2(8) . . ? O5 C19 C20 113.5(8) . . ? F1 C20 F3 111.9(12) . . ? F1 C20 F2 103.0(13) . . ? F3 C20 F2 103.1(11) . . ? F1 C20 C19 114.0(11) . . ? F3 C20 C19 113.8(9) . . ? F2 C20 C19 109.9(10) . . ? O7 C21 O8 130.4(9) . . ? O7 C21 C22 115.5(8) . . ? O8 C21 C22 114.0(8) . . ? F4 C22 F5 101.9(17) . . ? F4 C22 F6 112.7(14) . . ? F5 C22 F6 104.5(18) . . ? F4 C22 C21 114.0(10) . . ? F5 C22 C21 109.8(12) . . ? F6 C22 C21 112.9(9) . . ? O10 C23 O9 131.0(10) . . ? O10 C23 C24 116.0(9) . . ? O9 C23 C24 113.0(9) . . ? F8 C24 F9 117.7(14) . . ? F8 C24 F7 96.7(14) . . ? F9 C24 F7 98.3(13) . . ? F8 C24 F8' 46.0(18) . . ? F9 C24 F8' 92(2) . . ? F7 C24 F8' 141(2) . . ? F8 C24 C23 117.1(12) . . ? F9 C24 C23 114.1(10) . . ? F7 C24 C23 108.6(13) . . ? F8' C24 C23 101(2) . . ? O11 C25 O12 128.7(9) . . ? O11 C25 C26 115.0(9) . . ? O12 C25 C26 116.3(9) . . ? F11 C26 F11' 39.1(15) . . ? F11 C26 F12' 125(3) . . ? F11' C26 F12' 121(4) . . ? F11 C26 F10 115(3) . . ? F11' C26 F10 132(3) . . ? F12' C26 F10 27(4) . . ? F11 C26 F12 102.2(18) . . ? F11' C26 F12 65(2) . . ? F12' C26 F12 75(3) . . ? F10 C26 F12 101(3) . . ? F11 C26 F10' 53.5(15) . . ? F11' C26 F10' 92(2) . . ? F12' C26 F10' 100(3) . . ? F10 C26 F10' 75(3) . . ? F12 C26 F10' 147.0(15) . . ? F11 C26 C25 117.9(14) . . ? F11' C26 C25 114.8(14) . . ? F12' C26 C25 116(3) . . ? F10 C26 C25 113(3) . . ? F12 C26 C25 104.9(13) . . ? F10' C26 C25 106.5(14) . . ? F8' F8 C24 80(2) . . ? F8 F8' C24 54(2) . . ? C10 N1 Ag8 163.3(10) . 2_667 ? C18 N2 Ag7 164.5(10) . 2_676 ? C3 O1 Ag8 136.9(5) . . ? C3 O1 Ag5 117.7(5) . 2_666 ? Ag8 O1 Ag5 101.2(2) . 2_666 ? C3 O2 Ag7 124.5(5) . . ? C3 O2 Ag1 100.4(5) . . ? Ag7 O2 Ag1 102.4(2) . . ? C3 O2 Ag2 118.8(5) . . ? Ag7 O2 Ag2 116.0(2) . . ? Ag1 O2 Ag2 72.90(15) . . ? C11 O3 Ag1 107.1(5) . . ? C11 O3 Ag4 120.7(5) . 2_666 ? Ag1 O3 Ag4 81.68(18) . 2_666 ? C11 O4 Ag8 132.7(5) . 2_666 ? C19 O5 Ag2 124.8(6) . . ? C21 O7 Ag6 115.7(7) . . ? C21 O8 Ag4 124.7(6) . 2_766 ? C23 O9 Ag6 125.9(7) . . ? C23 O10 Ag3 124.9(7) . 2_766 ? C25 O11 Ag5 129.2(6) . . ? C25 O12 Ag3 111.3(6) . 2_766 ? O5W O1W O6W 81(5) . . ? O5W O1W O8W 62(5) . . ? O6W O1W O8W 142(6) . . ? O5W O1W O3W 107(6) . 2_676 ? O6W O1W O3W 172(6) . 2_676 ? O8W O1W O3W 46(3) . 2_676 ? O5W O1W O9W 42(4) . . ? O6W O1W O9W 39(3) . . ? O8W O1W O9W 104(4) . . ? O3W O1W O9W 149(5) 2_676 . ? O7W O2W O13W 81(5) . . ? O7W O2W O3W 174(6) . 2_776 ? O13W O2W O3W 98(5) . 2_776 ? O8W O3W O1W 62(4) 2_676 2_676 ? O8W O3W O2W 110(5) 2_676 2_776 ? O1W O3W O2W 172(5) 2_676 2_776 ? O6W O4W O9W 52(4) . . ? O6W O4W O7W 152(6) . . ? O9W O4W O7W 155(6) . . ? O6W O4W O10W 107(5) . . ? O9W O4W O10W 55(4) . . ? O7W O4W O10W 100(4) . . ? O1W O5W O9W 101(6) . . ? O1W O5W O16W 161(7) . . ? O9W O5W O16W 60(4) . . ? O1W O5W O12W 146(7) . . ? O9W O5W O12W 112(6) . . ? O16W O5W O12W 52(4) . . ? O1W O5W O8W 75(5) . . ? O9W O5W O8W 174(6) . . ? O16W O5W O8W 124(6) . . ? O12W O5W O8W 72(5) . . ? O1W O5W O6W 58(4) . . ? O9W O5W O6W 44(3) . . ? O16W O5W O6W 104(5) . . ? O12W O5W O6W 156(6) . . ? O8W O5W O6W 132(5) . . ? O9W O6W O4W 73(5) . . ? O9W O6W O1W 91(5) . . ? O4W O6W O1W 163(7) . . ? O9W O6W O5W 49(4) . . ? O4W O6W O5W 122(6) . . ? O1W O6W O5W 41(3) . . ? O2W O7W O4W 168(6) . . ? O2W O7W O13W 50(4) . . ? O4W O7W O13W 118(5) . . ? O3W O8W O15W 151(6) 2_676 . ? O3W O8W O5W 117(6) 2_676 . ? O15W O8W O5W 92(5) . . ? O3W O8W O1W 73(5) 2_676 . ? O15W O8W O1W 136(5) . . ? O5W O8W O1W 44(3) . . ? O3W O8W O12W 167(6) 2_676 . ? O15W O8W O12W 42(3) . . ? O5W O8W O12W 50(4) . . ? O1W O8W O12W 94(4) . . ? O6W O9W O5W 87(6) . . ? O6W O9W O16W 147(7) . . ? O5W O9W O16W 60(4) . . ? O6W O9W O4W 55(4) . . ? O5W O9W O4W 141(6) . . ? O16W O9W O4W 158(6) . . ? O6W O9W O10W 132(6) . . ? O5W O9W O10W 141(6) . . ? O16W O9W O10W 81(5) . . ? O4W O9W O10W 78(4) . . ? O6W O9W O1W 51(4) . . ? O5W O9W O1W 36(3) . . ? O16W O9W O1W 96(5) . . ? O4W O9W O1W 105(5) . . ? O10W O9W O1W 177(5) . . ? O11W O10W O9W 140(6) . . ? O11W O10W O16W 177(6) . . ? O9W O10W O16W 43(3) . . ? O11W O10W O4W 93(4) . . ? O9W O10W O4W 47(3) . . ? O16W O10W O4W 90(4) . . ? O13W O11W O10W 126(5) . . ? O13W O11W O14W 54(3) . 1_655 ? O10W O11W O14W 177(6) . 1_655 ? O15W O12W O16W 173(8) . . ? O15W O12W O5W 113(7) . . ? O16W O12W O5W 64(5) . . ? O15W O12W O8W 54(4) . . ? O16W O12W O8W 122(6) . . ? O5W O12W O8W 58(4) . . ? O2W O13W O14W 138(6) . 1_655 ? O2W O13W O11W 150(6) . . ? O14W O13W O11W 71(5) 1_655 . ? O2W O13W O7W 48(4) . . ? O14W O13W O7W 173(6) 1_655 . ? O11W O13W O7W 102(5) . . ? O13W O14W O15W 132(5) 1_455 . ? O13W O14W O11W 55(4) 1_455 1_455 ? O15W O14W O11W 172(5) . 1_455 ? O12W O15W O8W 84(5) . . ? O12W O15W O14W 173(7) . . ? O8W O15W O14W 90(5) . . ? O12W O16W O9W 124(7) . . ? O12W O16W O5W 64(5) . . ? O9W O16W O5W 60(4) . . ? O12W O16W O10W 177(7) . . ? O9W O16W O10W 56(4) . . ? O5W O16W O10W 116(5) . . ? _diffrn_measured_fraction_theta_max 0.990 _diffrn_reflns_theta_full 27.98 _diffrn_measured_fraction_theta_full 0.990 _refine_diff_density_max 2.824 _refine_diff_density_min -2.742 _refine_diff_density_rms 0.496 _database_code_depnum_ccdc_archive 'CCDC 956807' ####################################################################### # # 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_6 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C56 H20 Ag16 F18 N4 O24' _chemical_formula_weight 3200.68 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 Monoclinic _symmetry_space_group_name_H-M P21/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 27.310(3) _cell_length_b 8.4645(8) _cell_length_c 32.750(3) _cell_angle_alpha 90.00 _cell_angle_beta 109.776(2) _cell_angle_gamma 90.00 _cell_volume 7124.4(12) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 126998 _cell_measurement_theta_min 2.383 _cell_measurement_theta_max 27.964 _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.984 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5960 _exptl_absorpt_coefficient_mu 4.413 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5039 _exptl_absorpt_correction_T_max 0.6195 _exptl_absorpt_process_details SADABS _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_reflns_number 107180 _diffrn_reflns_av_R_equivalents 0.1495 _diffrn_reflns_av_sigmaI/netI 0.0857 _diffrn_reflns_limit_h_min -35 _diffrn_reflns_limit_h_max 35 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -43 _diffrn_reflns_limit_l_max 43 _diffrn_reflns_theta_min 0.84 _diffrn_reflns_theta_max 28.03 _reflns_number_total 17155 _reflns_number_gt 13555 _reflns_threshold_expression >2sigma(I) _computing_data_collection APEX2(Bruker,2003) _computing_cell_refinement SAINT(Bruker,2001) _computing_data_reduction APEX2(Bruker,2003) _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _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. The maximum residual electron density is close to the Ag7, and the distance between them is 0.86. ; _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^)+(0.1435P)^2^+46.9874P] 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 17155 _refine_ls_number_parameters 1090 _refine_ls_number_restraints 43 _refine_ls_R_factor_all 0.1059 _refine_ls_R_factor_gt 0.0854 _refine_ls_wR_factor_ref 0.2364 _refine_ls_wR_factor_gt 0.2163 _refine_ls_goodness_of_fit_ref 1.114 _refine_ls_restrained_S_all 1.118 _refine_ls_shift/su_max 0.009 _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 F9' F -0.2405(11) 0.744(4) 0.4552(9) 0.100(8) Uani 0.50 1 d PU . . F11' F 0.3251(11) 0.596(3) 0.0680(9) 0.086(7) Uani 0.50 1 d PU . . F10' F 0.2498(15) 0.645(5) 0.0378(11) 0.125(10) Uani 0.50 1 d PU . . Ag1 Ag -0.32766(3) 0.71302(8) 0.28089(2) 0.01939(17) Uani 1 1 d . . . Ag2 Ag -0.34506(3) 0.71679(9) 0.19195(2) 0.02355(18) Uani 1 1 d . . . Ag3 Ag -0.34784(3) 1.03592(9) 0.23509(3) 0.02275(18) Uani 1 1 d . . . Ag4 Ag -0.25857(4) 0.99474(9) 0.31595(2) 0.0278(2) Uani 1 1 d . . . Ag5 Ag -0.20702(3) 0.66879(9) 0.32221(2) 0.02636(19) Uani 1 1 d . . . Ag6 Ag -0.22126(3) 0.86607(8) 0.23076(3) 0.02439(18) Uani 1 1 d . . . Ag7 Ag -0.15860(5) 0.85079(18) 0.14529(4) 0.0573(3) Uani 1 1 d . . . Ag8 Ag -0.06550(5) 0.85684(18) 0.34579(3) 0.0571(3) Uani 1 1 d . . . Ag9 Ag 0.05742(5) 0.79363(17) 0.14907(4) 0.0564(3) Uani 1 1 d . . . Ag10 Ag 0.15735(4) 0.81374(15) 0.35248(4) 0.0480(3) Uani 1 1 d . . . Ag11 Ag 0.19289(4) 0.62063(9) 0.17859(3) 0.0301(2) Uani 1 1 d . . . Ag12 Ag 0.25795(4) 0.93864(9) 0.18143(2) 0.0289(2) Uani 1 1 d . . . Ag13 Ag 0.35133(3) 0.96333(9) 0.25395(3) 0.02301(18) Uani 1 1 d . . . Ag14 Ag 0.33697(3) 0.66152(10) 0.30133(3) 0.02638(19) Uani 1 1 d . . . Ag15 Ag 0.22216(3) 0.80824(8) 0.26762(3) 0.02025(17) Uani 1 1 d . . . Ag16 Ag 0.31643(3) 0.63689(8) 0.21161(2) 0.02131(17) Uani 1 1 d . . . C1 C -0.2784(4) 0.6446(11) 0.2458(3) 0.0217(19) Uani 1 1 d . . . C2 C -0.2341(4) 0.5939(10) 0.2510(3) 0.0193(18) Uani 1 1 d . . . C3 C 0.2329(4) 1.0805(11) 0.2525(3) 0.0190(18) Uani 1 1 d . . . C4 C 0.2731(4) 1.0284(10) 0.2493(3) 0.0207(19) Uani 1 1 d . . . C5 C -0.4319(4) 0.9325(13) 0.1416(3) 0.025(2) Uani 1 1 d . . . C6 C -0.4742(5) 0.9729(16) 0.0993(4) 0.039(3) Uani 1 1 d . . . C7 C -0.4029(4) 0.9371(11) 0.3015(3) 0.023(2) Uani 1 1 d . . . C8 C -0.4379(5) 0.9678(12) 0.3295(4) 0.032(2) Uani 1 1 d . . . C9 C -0.2868(4) 0.7657(12) 0.3807(3) 0.024(2) Uani 1 1 d . . . C10 C -0.2914(6) 0.7464(14) 0.4256(4) 0.038(3) Uani 1 1 d . . . C11 C 0.2858(4) 0.7153(13) 0.1151(4) 0.028(2) Uani 1 1 d . . . C12 C 0.2897(8) 0.7066(15) 0.0691(5) 0.057(4) Uani 1 1 d U . . C13 C 0.4163(4) 0.7911(13) 0.2071(4) 0.030(2) Uani 1 1 d . . . C14 C 0.4618(6) 0.7921(17) 0.1887(6) 0.053(4) Uani 1 1 d . . . C15 C 0.4266(4) 0.8876(14) 0.3493(4) 0.031(2) Uani 1 1 d . . . C16 C 0.4664(5) 0.9177(16) 0.3955(4) 0.039(3) Uani 1 1 d . . . C17 C -0.2823(4) 0.8346(11) 0.1312(3) 0.0218(19) Uani 1 1 d . . . C18 C -0.2977(4) 0.8200(11) 0.0830(3) 0.0207(19) Uani 1 1 d . . . C19 C -0.3352(4) 0.9270(12) 0.0561(4) 0.031(2) Uani 1 1 d . . . H19 H -0.3489 1.0064 0.0686 0.037 Uiso 1 1 calc R . . C20 C -0.3513(5) 0.9129(14) 0.0114(4) 0.034(2) Uani 1 1 d . . . H20 H -0.3745 0.9853 -0.0063 0.041 Uiso 1 1 calc R . . C21 C -0.2785(4) 0.7003(12) 0.0646(4) 0.025(2) Uani 1 1 d . . . H21 H -0.2543 0.6300 0.0822 0.030 Uiso 1 1 calc R . . C22 C -0.2952(4) 0.6834(13) 0.0196(4) 0.029(2) Uani 1 1 d . . . H22 H -0.2818 0.6028 0.0071 0.034 Uiso 1 1 calc R . . C23 C -0.3319(4) 0.7872(12) -0.0067(3) 0.026(2) Uani 1 1 d . . . C24 C -0.3469(4) 0.7662(14) -0.0524(4) 0.031(2) Uani 1 1 d . . . C25 C -0.1528(4) 0.9035(12) 0.3911(3) 0.0223(19) Uani 1 1 d . . . C26 C -0.1203(4) 0.9495(12) 0.4375(3) 0.023(2) Uani 1 1 d . . . C27 C -0.1203(5) 0.8535(12) 0.4715(4) 0.031(2) Uani 1 1 d . . . H27 H -0.1414 0.7642 0.4661 0.037 Uiso 1 1 calc R . . C28 C -0.0891(5) 0.8888(14) 0.5139(4) 0.035(3) Uani 1 1 d . . . H28 H -0.0892 0.8249 0.5369 0.042 Uiso 1 1 calc R . . C29 C -0.0901(4) 1.0852(14) 0.4447(4) 0.033(2) Uani 1 1 d . . . H29 H -0.0910 1.1500 0.4215 0.040 Uiso 1 1 calc R . . C30 C -0.0587(4) 1.1244(13) 0.4864(4) 0.031(2) Uani 1 1 d . . . H30 H -0.0387 1.2160 0.4915 0.038 Uiso 1 1 calc R . . C31 C -0.0575(4) 1.0238(13) 0.5207(4) 0.032(2) Uani 1 1 d . . . C32 C -0.0237(5) 1.0587(14) 0.5632(4) 0.036(3) Uani 1 1 d . . . C33 C 0.1503(4) 0.8663(11) 0.1100(3) 0.0217(19) Uani 1 1 d . . . C34 C 0.1173(4) 0.9222(11) 0.0649(3) 0.024(2) Uani 1 1 d . . . C35 C 0.0940(4) 1.0688(13) 0.0593(4) 0.031(2) Uani 1 1 d . . . H35 H 0.0991 1.1358 0.0829 0.037 Uiso 1 1 calc R . . C36 C 0.0627(4) 1.1153(13) 0.0179(4) 0.034(3) Uani 1 1 d . . . H36 H 0.0448 1.2106 0.0142 0.041 Uiso 1 1 calc R . . C37 C 0.1131(5) 0.8245(13) 0.0292(4) 0.037(3) Uani 1 1 d . . . H37 H 0.1295 0.7267 0.0334 0.045 Uiso 1 1 calc R . . C38 C 0.0840(5) 0.8750(14) -0.0128(4) 0.035(3) Uani 1 1 d . . . H38 H 0.0817 0.8141 -0.0371 0.042 Uiso 1 1 calc R . . C39 C 0.0582(4) 1.0235(13) -0.0168(4) 0.034(3) Uani 1 1 d . . . C40 C 0.0271(5) 1.0737(17) -0.0596(4) 0.041(3) Uani 1 1 d . . . C41 C 0.2817(4) 0.7887(11) 0.3681(3) 0.023(2) Uani 1 1 d . . . C42 C 0.2951(4) 0.7833(11) 0.4158(3) 0.0202(18) Uani 1 1 d . . . C43 C 0.2768(4) 0.6587(12) 0.4344(3) 0.024(2) Uani 1 1 d . . . H43 H 0.2537 0.5856 0.4168 0.029 Uiso 1 1 calc R . . C44 C 0.2926(4) 0.6440(12) 0.4785(4) 0.027(2) Uani 1 1 d . . . H44 H 0.2809 0.5600 0.4911 0.033 Uiso 1 1 calc R . . C45 C 0.3294(5) 0.8953(12) 0.4416(4) 0.031(2) Uani 1 1 d . . . H45 H 0.3421 0.9764 0.4288 0.037 Uiso 1 1 calc R . . C46 C 0.3442(5) 0.8846(12) 0.4864(4) 0.029(2) Uani 1 1 d . . . H46 H 0.3655 0.9612 0.5040 0.035 Uiso 1 1 calc R . . C47 C 0.3265(4) 0.7557(12) 0.5047(3) 0.023(2) Uani 1 1 d . . . C48 C 0.3428(4) 0.7362(14) 0.5513(4) 0.030(2) Uani 1 1 d . . . C49 C -0.1066(4) 0.8856(11) 0.2471(3) 0.0219(19) Uani 1 1 d . . . C50 C -0.0517(4) 0.8795(11) 0.2472(3) 0.0212(19) Uani 1 1 d . . . C51 C -0.0357(4) 0.9752(11) 0.2201(3) 0.024(2) Uani 1 1 d . . . H51 H -0.0590 1.0468 0.2022 0.029 Uiso 1 1 calc R . . C52 C 0.0152(4) 0.9667(11) 0.2189(3) 0.025(2) Uani 1 1 d . . . H52 H 0.0253 1.0314 0.2001 0.030 Uiso 1 1 calc R . . C53 C -0.0151(4) 0.7732(11) 0.2753(4) 0.024(2) Uani 1 1 d . . . H53 H -0.0250 0.7099 0.2943 0.029 Uiso 1 1 calc R . . C54 C 0.0349(4) 0.7636(11) 0.2743(4) 0.024(2) Uani 1 1 d . . . H54 H 0.0582 0.6925 0.2924 0.029 Uiso 1 1 calc R . . C55 C 0.0511(4) 0.8590(12) 0.2464(4) 0.025(2) Uani 1 1 d . . . C56 C 0.1057(5) 0.8432(11) 0.2459(4) 0.028(2) Uani 1 1 d . . . F1 F -0.4530(4) 1.0554(18) 0.0741(3) 0.088(4) Uani 1 1 d . . . F2 F -0.4977(4) 0.8509(12) 0.0763(3) 0.079(4) Uani 1 1 d . . . F3 F -0.5111(3) 1.0684(10) 0.1031(3) 0.049(2) Uani 1 1 d . . . F4 F -0.4549(4) 1.1149(10) 0.3274(3) 0.068(3) Uani 1 1 d . . . F5 F -0.4781(4) 0.8778(14) 0.3194(4) 0.079(4) Uani 1 1 d . . . F6 F -0.4106(4) 0.9466(13) 0.3714(3) 0.065(3) Uani 1 1 d . . . F7 F -0.3017(6) 0.8705(12) 0.4435(3) 0.084(4) Uani 1 1 d . . . F8 F -0.3275(9) 0.650(2) 0.4262(5) 0.169(10) Uani 1 1 d . . . F9 F -0.2590(7) 0.642(2) 0.4489(5) 0.045(4) Uani 0.50 1 d PU . . F10 F 0.2378(7) 0.743(2) 0.0404(5) 0.053(4) Uani 0.50 1 d PU . . F11 F 0.2886(8) 0.5612(17) 0.0554(4) 0.041(3) Uani 0.50 1 d PU . . F12 F 0.3113(7) 0.8150(17) 0.0585(4) 0.114(6) Uani 1 1 d . . . F13 F 0.4529(7) 0.891(2) 0.1583(5) 0.131(5) Uani 1 1 d U . . F14 F 0.4751(5) 0.6586(14) 0.1797(5) 0.105(5) Uani 1 1 d . . . F15 F 0.5033(5) 0.849(2) 0.2136(7) 0.167(9) Uani 1 1 d . . . F16 F 0.5017(3) 1.0250(10) 0.3980(3) 0.050(2) Uani 1 1 d . . . F17 F 0.4944(4) 0.7887(13) 0.4099(4) 0.078(3) Uani 1 1 d . . . F18 F 0.4422(3) 0.9490(15) 0.4230(3) 0.067(3) Uani 1 1 d . . . N1 N -0.3574(4) 0.7497(15) -0.0896(4) 0.043(3) Uani 1 1 d . . . N2 N 0.0055(5) 1.0805(14) 0.5981(4) 0.049(3) Uani 1 1 d . . . N3 N 0.0006(5) 1.1187(15) -0.0918(4) 0.051(3) Uani 1 1 d . . . N4 N 0.3538(4) 0.7151(14) 0.5874(3) 0.039(2) Uani 1 1 d . . . O1 O -0.4152(3) 1.0454(9) 0.1674(3) 0.0323(18) Uani 1 1 d . . . O2 O -0.4206(3) 0.7893(9) 0.1466(3) 0.0308(17) Uani 1 1 d . . . O3 O -0.3900(4) 1.0561(9) 0.2847(3) 0.038(2) Uani 1 1 d . . . O4 O -0.3916(3) 0.7978(9) 0.3002(3) 0.0307(17) Uani 1 1 d . . . O5 O -0.2824(3) 0.9068(9) 0.3705(2) 0.0296(16) Uani 1 1 d . . . O6 O -0.2897(3) 0.6443(8) 0.3587(3) 0.0314(17) Uani 1 1 d . . . O7 O 0.2820(4) 0.8509(9) 0.1274(3) 0.037(2) Uani 1 1 d . . . O8 O 0.2875(3) 0.5869(9) 0.1352(3) 0.0328(17) Uani 1 1 d . . . O9 O 0.3903(3) 0.6717(9) 0.1998(3) 0.0334(18) Uani 1 1 d . . . O10 O 0.4133(4) 0.9096(11) 0.2278(4) 0.047(2) Uani 1 1 d . . . O11 O 0.4101(3) 1.0169(10) 0.3282(3) 0.0340(18) Uani 1 1 d . . . O12 O 0.4153(3) 0.7528(10) 0.3391(3) 0.040(2) Uani 1 1 d . . . O13 O -0.3137(3) 0.9023(8) 0.1467(3) 0.0275(16) Uani 1 1 d . . . O14 O -0.2396(3) 0.7745(8) 0.1544(2) 0.0252(15) Uani 1 1 d . . . O15 O -0.1681(4) 0.7618(9) 0.3865(3) 0.041(2) Uani 1 1 d . . . O16 O -0.1633(4) 1.0045(11) 0.3614(3) 0.040(2) Uani 1 1 d . . . O17 O 0.1570(4) 0.7213(9) 0.1141(3) 0.044(2) Uani 1 1 d . . . O18 O 0.1683(3) 0.9665(9) 0.1384(3) 0.0317(17) Uani 1 1 d . . . O19 O 0.2383(3) 0.7300(8) 0.3439(2) 0.0267(15) Uani 1 1 d . . . O20 O 0.3144(3) 0.8511(8) 0.3521(3) 0.0295(17) Uani 1 1 d . . . O21 O -0.1416(3) 0.9290(8) 0.2130(2) 0.0248(15) Uani 1 1 d . . . O22 O -0.1173(3) 0.8436(10) 0.2797(2) 0.0307(17) Uani 1 1 d . . . O23 O 0.1143(4) 0.8671(11) 0.2112(3) 0.041(2) Uani 1 1 d . . . O24 O 0.1415(3) 0.8126(10) 0.2803(3) 0.0321(17) 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 F9' 0.096(11) 0.118(12) 0.085(11) 0.003(9) 0.029(8) 0.003(9) F11' 0.101(11) 0.091(11) 0.083(10) -0.002(8) 0.053(8) 0.020(8) F10' 0.122(12) 0.133(13) 0.113(12) -0.011(9) 0.032(8) -0.021(9) Ag1 0.0234(4) 0.0168(3) 0.0222(4) -0.0020(2) 0.0132(3) -0.0014(2) Ag2 0.0217(4) 0.0295(4) 0.0187(4) -0.0001(3) 0.0059(3) 0.0049(3) Ag3 0.0171(4) 0.0250(4) 0.0259(4) 0.0002(3) 0.0069(3) -0.0012(3) Ag4 0.0450(5) 0.0193(3) 0.0159(4) 0.0024(3) 0.0060(3) -0.0066(3) Ag5 0.0369(5) 0.0223(4) 0.0173(4) -0.0037(3) 0.0059(3) -0.0012(3) Ag6 0.0249(4) 0.0142(3) 0.0375(5) -0.0023(3) 0.0150(3) -0.0016(3) Ag7 0.0432(6) 0.0982(10) 0.0387(6) -0.0289(6) 0.0247(5) -0.0139(6) Ag8 0.0421(6) 0.0981(10) 0.0230(5) -0.0129(5) 0.0004(4) -0.0068(6) Ag9 0.0449(6) 0.0838(9) 0.0299(5) 0.0092(5) -0.0013(5) 0.0047(6) Ag10 0.0458(6) 0.0700(7) 0.0382(6) 0.0035(5) 0.0273(5) -0.0021(5) Ag11 0.0418(5) 0.0223(4) 0.0188(4) 0.0044(3) 0.0007(3) -0.0011(3) Ag12 0.0423(5) 0.0222(4) 0.0170(4) -0.0031(3) 0.0031(3) 0.0087(3) Ag13 0.0166(3) 0.0225(3) 0.0299(4) -0.0013(3) 0.0079(3) 0.0002(3) Ag14 0.0211(4) 0.0373(4) 0.0207(4) -0.0014(3) 0.0070(3) -0.0066(3) Ag15 0.0209(4) 0.0121(3) 0.0316(4) 0.0011(3) 0.0138(3) 0.0010(2) Ag16 0.0279(4) 0.0166(3) 0.0254(4) 0.0022(3) 0.0169(3) 0.0007(3) C1 0.027(5) 0.019(4) 0.022(5) 0.002(3) 0.012(4) -0.002(4) C2 0.024(5) 0.013(4) 0.022(5) 0.004(3) 0.010(4) -0.004(3) C3 0.018(4) 0.020(4) 0.021(5) -0.002(3) 0.010(4) -0.006(3) C4 0.028(5) 0.010(4) 0.025(5) 0.001(3) 0.009(4) 0.001(3) C5 0.015(5) 0.039(6) 0.019(5) -0.003(4) 0.002(4) 0.005(4) C6 0.037(7) 0.043(7) 0.032(6) -0.008(5) 0.005(5) 0.012(5) C7 0.024(5) 0.022(4) 0.025(5) -0.002(4) 0.012(4) -0.003(4) C8 0.035(6) 0.023(5) 0.042(7) 0.006(4) 0.020(5) 0.005(4) C9 0.031(5) 0.022(5) 0.020(5) -0.002(4) 0.010(4) -0.007(4) C10 0.065(9) 0.034(6) 0.019(5) 0.001(4) 0.018(6) -0.001(6) C11 0.030(6) 0.032(5) 0.029(6) -0.002(4) 0.020(5) 0.006(4) C12 0.118(13) 0.024(6) 0.054(8) -0.002(5) 0.061(8) 0.005(7) C13 0.027(6) 0.032(5) 0.042(7) 0.002(5) 0.024(5) 0.005(4) C14 0.052(9) 0.038(7) 0.090(12) 0.015(7) 0.052(9) 0.006(6) C15 0.013(5) 0.036(6) 0.044(7) -0.004(5) 0.008(5) -0.002(4) C16 0.030(6) 0.050(7) 0.035(7) 0.008(5) 0.010(5) -0.015(5) C17 0.025(5) 0.021(4) 0.017(5) -0.001(3) 0.004(4) -0.009(4) C18 0.031(5) 0.017(4) 0.020(5) 0.000(3) 0.016(4) 0.000(4) C19 0.031(6) 0.022(5) 0.042(7) 0.000(4) 0.016(5) 0.007(4) C20 0.038(6) 0.029(5) 0.038(7) 0.003(5) 0.017(5) 0.006(5) C21 0.022(5) 0.023(5) 0.029(5) 0.001(4) 0.006(4) -0.001(4) C22 0.027(5) 0.025(5) 0.037(6) -0.010(4) 0.015(5) 0.002(4) C23 0.031(6) 0.027(5) 0.024(5) 0.003(4) 0.016(4) -0.004(4) C24 0.029(6) 0.037(6) 0.029(6) 0.002(4) 0.013(5) 0.003(4) C25 0.019(5) 0.026(5) 0.020(5) 0.000(4) 0.004(4) 0.004(4) C26 0.022(5) 0.026(5) 0.020(5) -0.007(4) 0.006(4) 0.003(4) C27 0.035(6) 0.017(4) 0.035(6) 0.003(4) 0.004(5) 0.000(4) C28 0.041(7) 0.031(5) 0.026(6) -0.001(4) 0.002(5) 0.006(5) C29 0.027(6) 0.034(6) 0.034(6) 0.003(5) 0.006(5) 0.003(4) C30 0.019(5) 0.026(5) 0.042(7) -0.009(4) 0.000(5) -0.006(4) C31 0.026(5) 0.031(5) 0.032(6) -0.011(4) 0.000(5) 0.008(4) C32 0.038(7) 0.035(6) 0.030(6) -0.013(5) 0.007(5) 0.002(5) C33 0.021(5) 0.022(4) 0.021(5) 0.000(4) 0.005(4) -0.002(4) C34 0.027(5) 0.016(4) 0.025(5) 0.003(4) 0.003(4) -0.008(4) C35 0.031(6) 0.030(5) 0.034(6) 0.000(4) 0.015(5) -0.001(4) C36 0.014(5) 0.031(5) 0.050(7) 0.014(5) 0.002(5) 0.013(4) C37 0.049(7) 0.020(5) 0.033(6) 0.003(4) 0.002(5) 0.004(5) C38 0.044(7) 0.032(6) 0.025(6) 0.000(4) 0.007(5) 0.001(5) C39 0.023(5) 0.028(5) 0.042(7) 0.014(5) -0.001(5) -0.009(4) C40 0.025(6) 0.054(8) 0.037(7) 0.016(6) 0.001(5) -0.009(5) C41 0.026(5) 0.017(4) 0.023(5) 0.000(4) 0.008(4) 0.005(4) C42 0.021(5) 0.020(4) 0.020(5) 0.004(3) 0.009(4) 0.009(3) C43 0.024(5) 0.022(4) 0.025(5) 0.001(4) 0.008(4) -0.003(4) C44 0.024(5) 0.023(5) 0.037(6) 0.005(4) 0.014(5) -0.005(4) C45 0.054(7) 0.016(4) 0.029(6) 0.003(4) 0.021(5) -0.001(4) C46 0.042(6) 0.018(4) 0.030(6) -0.002(4) 0.015(5) -0.001(4) C47 0.025(5) 0.030(5) 0.019(5) 0.003(4) 0.013(4) 0.003(4) C48 0.028(6) 0.037(6) 0.030(6) 0.001(4) 0.017(5) -0.002(4) C49 0.026(5) 0.019(4) 0.023(5) -0.005(3) 0.011(4) -0.004(4) C50 0.019(5) 0.019(4) 0.026(5) -0.003(4) 0.009(4) -0.003(3) C51 0.022(5) 0.020(4) 0.028(5) 0.006(4) 0.006(4) 0.003(4) C52 0.030(5) 0.019(4) 0.031(5) 0.002(4) 0.016(4) -0.001(4) C53 0.024(5) 0.012(4) 0.039(6) 0.007(4) 0.014(4) 0.003(3) C54 0.023(5) 0.021(4) 0.034(6) 0.006(4) 0.018(4) 0.004(4) C55 0.029(5) 0.023(5) 0.030(6) -0.001(4) 0.019(5) -0.003(4) C56 0.038(6) 0.015(4) 0.040(6) -0.012(4) 0.026(5) -0.005(4) F1 0.049(6) 0.181(13) 0.031(5) 0.023(6) 0.010(4) 0.006(7) F2 0.066(6) 0.065(6) 0.062(6) -0.025(5) -0.036(5) 0.014(5) F3 0.028(4) 0.052(5) 0.055(5) 0.008(4) -0.001(3) 0.014(3) F4 0.099(7) 0.050(5) 0.092(7) 0.021(5) 0.080(6) 0.037(5) F5 0.052(6) 0.106(8) 0.108(8) -0.057(7) 0.062(6) -0.037(5) F6 0.063(6) 0.097(7) 0.044(5) 0.011(5) 0.029(4) 0.024(5) F7 0.162(12) 0.059(6) 0.051(6) 0.003(4) 0.064(7) 0.029(7) F8 0.32(3) 0.142(13) 0.120(12) -0.063(10) 0.170(16) -0.150(16) F9 0.059(8) 0.053(7) 0.029(6) 0.023(5) 0.020(6) 0.033(6) F10 0.058(8) 0.063(8) 0.032(7) 0.004(6) 0.006(6) 0.019(7) F11 0.075(8) 0.031(6) 0.020(6) -0.014(5) 0.019(6) 0.010(6) F12 0.193(15) 0.116(10) 0.075(8) -0.026(7) 0.100(10) -0.074(10) F13 0.137(9) 0.159(10) 0.135(9) 0.048(7) 0.097(8) 0.016(7) F14 0.112(10) 0.071(7) 0.187(14) 0.007(8) 0.124(11) 0.021(7) F15 0.067(9) 0.22(2) 0.26(2) -0.123(18) 0.113(12) -0.068(11) F16 0.040(4) 0.063(5) 0.045(5) -0.012(4) 0.014(4) -0.029(4) F17 0.059(6) 0.071(6) 0.074(7) 0.019(5) -0.017(5) 0.002(5) F18 0.050(5) 0.129(9) 0.026(4) -0.006(5) 0.015(4) -0.016(5) N1 0.040(6) 0.056(7) 0.038(6) -0.004(5) 0.019(5) 0.005(5) N2 0.040(6) 0.041(6) 0.054(7) -0.019(5) -0.001(5) 0.006(5) N3 0.039(6) 0.061(7) 0.044(7) 0.024(6) 0.004(5) -0.003(5) N4 0.035(6) 0.055(6) 0.024(5) 0.001(4) 0.005(4) -0.006(5) O1 0.021(4) 0.036(4) 0.035(4) -0.011(3) 0.004(3) 0.003(3) O2 0.023(4) 0.030(4) 0.036(4) -0.006(3) 0.004(3) 0.003(3) O3 0.048(5) 0.028(4) 0.052(5) 0.014(4) 0.036(4) 0.010(4) O4 0.035(4) 0.022(3) 0.046(5) -0.003(3) 0.028(4) 0.000(3) O5 0.040(5) 0.024(4) 0.028(4) -0.004(3) 0.017(4) -0.007(3) O6 0.051(5) 0.020(3) 0.025(4) 0.001(3) 0.015(4) -0.007(3) O7 0.058(6) 0.026(4) 0.034(5) -0.001(3) 0.024(4) 0.006(4) O8 0.044(5) 0.030(4) 0.025(4) 0.003(3) 0.013(4) 0.003(3) O9 0.032(4) 0.032(4) 0.043(5) 0.003(3) 0.022(4) 0.000(3) O10 0.038(5) 0.044(5) 0.075(7) -0.009(5) 0.039(5) -0.009(4) O11 0.036(4) 0.038(4) 0.030(4) 0.003(3) 0.014(4) 0.001(3) O12 0.020(4) 0.036(4) 0.062(6) -0.013(4) 0.010(4) -0.003(3) O13 0.030(4) 0.020(3) 0.038(4) -0.001(3) 0.018(3) 0.003(3) O14 0.026(4) 0.019(3) 0.028(4) 0.003(3) 0.006(3) 0.000(3) O15 0.065(6) 0.017(3) 0.024(4) -0.003(3) -0.007(4) 0.003(4) O16 0.045(5) 0.043(5) 0.027(4) 0.005(4) 0.004(4) -0.018(4) O17 0.072(7) 0.022(4) 0.021(4) 0.008(3) -0.005(4) -0.005(4) O18 0.027(4) 0.035(4) 0.029(4) -0.012(3) 0.005(3) 0.009(3) O19 0.022(4) 0.022(3) 0.034(4) -0.004(3) 0.007(3) -0.001(3) O20 0.039(5) 0.022(3) 0.035(4) -0.001(3) 0.022(4) -0.002(3) O21 0.016(3) 0.024(3) 0.028(4) -0.006(3) 0.001(3) 0.006(3) O22 0.028(4) 0.047(5) 0.019(4) 0.005(3) 0.010(3) 0.004(3) O23 0.039(5) 0.049(5) 0.043(5) -0.004(4) 0.024(4) -0.012(4) O24 0.017(4) 0.047(5) 0.033(4) 0.004(4) 0.010(3) 0.007(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 F9' F9 0.98(3) . ? F9' C10 1.40(3) . ? F11' F11 0.98(3) . ? F11' C12 1.35(3) . ? F10' F10 0.90(4) . ? F10' F11 1.24(4) . ? F10' C12 1.32(4) . ? Ag1 C1 2.124(10) . ? Ag1 O4 2.170(7) . ? Ag1 O6 2.475(8) . ? Ag1 O21 2.577(7) 2_445 ? Ag1 Ag2 2.7881(11) . ? Ag1 Ag4 3.0164(10) . ? Ag1 Ag3 3.0764(10) . ? Ag1 Ag5 3.1320(12) . ? Ag1 Ag6 3.3015(10) 2_445 ? Ag2 C1 2.150(10) . ? Ag2 O2 2.182(8) . ? Ag2 O13 2.500(8) . ? Ag2 O16 2.570(8) 2_445 ? Ag2 Ag3 3.0613(11) . ? Ag3 C2 2.183(10) 2_455 ? Ag3 O3 2.294(8) . ? Ag3 O1 2.354(8) . ? Ag3 Ag4 2.9510(11) . ? Ag3 Ag5 2.9889(11) 2_455 ? Ag3 Ag6 3.3456(11) 2_455 ? Ag4 O5 2.226(8) . ? Ag4 C2 2.293(10) 2_455 ? Ag4 O16 2.523(9) . ? Ag4 O14 2.567(7) 2_455 ? Ag4 Ag5 3.0727(11) . ? Ag5 O15 2.160(8) . ? Ag5 C2 2.284(10) . ? Ag5 O13 2.460(7) 2_445 ? Ag5 C1 2.609(10) . ? Ag5 Ag3 2.9888(11) 2_445 ? Ag5 Ag6 3.3336(11) 2_445 ? Ag5 Ag6 3.3348(12) . ? Ag6 C2 2.456(8) . ? Ag6 C2 2.460(9) 2_455 ? Ag6 C1 2.481(9) 2_455 ? Ag6 O21 2.494(7) . ? Ag6 O14 2.503(7) . ? Ag6 C1 2.591(9) . ? Ag6 Ag1 3.3015(10) 2_455 ? Ag6 Ag5 3.3335(11) 2_455 ? Ag6 Ag3 3.3456(11) 2_445 ? Ag7 N4 2.110(10) 4_575 ? Ag7 O21 2.206(7) . ? Ag7 O14 2.417(7) . ? Ag8 N2 2.075(11) 3_576 ? Ag8 O22 2.152(8) . ? Ag9 N3 2.137(11) 3_575 ? Ag9 O23 2.191(9) . ? Ag9 O11 2.526(9) 2_545 ? Ag10 N1 2.138(11) 4_676 ? Ag10 O24 2.255(8) . ? Ag10 O19 2.427(7) . ? Ag11 O17 2.178(8) . ? Ag11 C4 2.358(10) 2_545 ? Ag11 O20 2.474(7) 2_545 ? Ag11 C3 2.494(10) 2_545 ? Ag11 Ag13 3.1491(12) 2_545 ? Ag11 Ag15 3.1756(11) . ? Ag11 Ag16 3.1784(12) . ? Ag11 Ag12 3.2094(12) . ? Ag12 O7 2.214(8) . ? Ag12 C4 2.251(10) . ? Ag12 O18 2.389(8) . ? Ag12 Ag13 2.8441(11) . ? Ag12 Ag16 2.9971(10) . ? Ag13 C4 2.162(10) . ? Ag13 O10 2.187(8) . ? Ag13 O11 2.462(8) . ? Ag13 Ag14 3.0821(11) . ? Ag13 Ag16 3.0939(10) . ? Ag13 Ag11 3.1490(12) 2 ? Ag14 O12 2.215(8) . ? Ag14 C3 2.223(10) 2_545 ? Ag14 O20 2.534(8) . ? Ag14 Ag16 2.8068(11) . ? Ag14 Ag15 3.2016(11) . ? Ag15 O24 2.376(7) . ? Ag15 C3 2.396(9) . ? Ag15 C4 2.446(9) 2_545 ? Ag15 O19 2.477(8) . ? Ag15 C3 2.491(9) 2_545 ? Ag15 C4 2.516(9) . ? Ag15 Ag16 3.1301(10) 2 ? Ag16 C3 2.120(9) 2_545 ? Ag16 O9 2.199(8) . ? Ag16 O8 2.392(8) . ? Ag16 Ag15 3.1301(10) 2_545 ? C1 C2 1.241(14) . ? C1 Ag6 2.481(9) 2_445 ? C2 Ag3 2.183(10) 2_445 ? C2 Ag4 2.293(10) 2_445 ? C2 Ag6 2.460(9) 2_445 ? C3 C4 1.219(14) . ? C3 Ag16 2.120(9) 2 ? C3 Ag14 2.224(10) 2 ? C3 Ag15 2.491(9) 2 ? C3 Ag11 2.494(10) 2 ? C4 Ag11 2.358(10) 2 ? C4 Ag15 2.446(9) 2 ? C5 O2 1.248(14) . ? C5 O1 1.255(13) . ? C5 C6 1.512(15) . ? C6 F2 1.311(15) . ? C6 F3 1.330(14) . ? C6 F1 1.350(18) . ? C7 O4 1.223(12) . ? C7 O3 1.254(12) . ? C7 C8 1.554(15) . ? C8 F5 1.284(14) . ? C8 F4 1.323(13) . ? C8 F6 1.334(15) . ? C9 O6 1.241(12) . ? C9 O5 1.257(12) . ? C9 C10 1.526(15) . ? C10 F7 1.281(15) . ? C10 F8 1.287(19) . ? C10 F9 1.299(19) . ? C11 O7 1.232(13) . ? C11 O8 1.263(14) . ? C11 C12 1.550(16) . ? C12 F12 1.204(18) . ? C12 F11 1.306(18) . ? C12 F10 1.44(3) . ? C13 O9 1.212(14) . ? C13 O10 1.229(14) . ? C13 C14 1.554(16) . ? C14 F15 1.25(2) . ? C14 F14 1.252(17) . ? C14 F13 1.26(2) . ? C15 O12 1.200(14) . ? C15 O11 1.291(14) . ? C15 C16 1.557(17) . ? C16 F16 1.307(13) . ? C16 F18 1.310(16) . ? C16 F17 1.324(17) . ? C17 O14 1.262(12) . ? C17 O13 1.273(13) . ? C17 C18 1.496(13) . ? C18 C21 1.369(14) . ? C18 C19 1.426(14) . ? C19 C20 1.384(17) . ? C20 C23 1.406(15) . ? C21 C22 1.398(15) . ? C22 C23 1.389(15) . ? C23 C24 1.423(15) . ? C24 N1 1.161(15) . ? C25 O16 1.254(13) . ? C25 O15 1.262(13) . ? C25 C26 1.528(14) . ? C26 C27 1.379(15) . ? C26 C29 1.385(15) . ? C27 C28 1.394(16) . ? C28 C31 1.404(17) . ? C29 C30 1.385(16) . ? C30 C31 1.401(18) . ? C31 C32 1.418(16) . ? C32 N2 1.165(16) . ? C33 O18 1.232(12) . ? C33 O17 1.241(13) . ? C33 C34 1.523(14) . ? C34 C35 1.378(15) . ? C34 C37 1.404(16) . ? C35 C36 1.392(16) . ? C36 C39 1.349(18) . ? C37 C38 1.402(16) . ? C38 C39 1.426(17) . ? C39 C40 1.435(16) . ? C40 N3 1.124(16) . ? C41 O19 1.281(12) . ? C41 O20 1.290(13) . ? C41 C42 1.479(14) . ? C42 C43 1.395(13) . ? C42 C45 1.397(15) . ? C43 C44 1.366(15) . ? C44 C47 1.396(15) . ? C45 C46 1.387(15) . ? C46 C47 1.406(14) . ? C47 C48 1.448(15) . ? C48 N4 1.131(15) . ? C49 O22 1.252(12) . ? C49 O21 1.255(12) . ? C49 C50 1.499(14) . ? C50 C51 1.379(14) . ? C50 C53 1.425(14) . ? C51 C52 1.405(14) . ? C52 C55 1.417(15) . ? C53 C54 1.377(14) . ? C54 C55 1.400(14) . ? C55 C56 1.503(15) . ? C56 O24 1.244(14) . ? C56 O23 1.249(14) . ? F8 F9 1.77(3) . ? N1 Ag10 2.137(11) 4_575 ? N2 Ag8 2.075(11) 3_576 ? N3 Ag9 2.137(11) 3_575 ? N4 Ag7 2.111(10) 4_676 ? O11 Ag9 2.526(9) 2 ? O13 Ag5 2.460(7) 2_455 ? O14 Ag4 2.567(7) 2_445 ? O16 Ag2 2.570(8) 2_455 ? O20 Ag11 2.474(7) 2 ? O21 Ag1 2.577(7) 2_455 ? 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 F9 F9' C10 63.2(19) . . ? F11 F11' C12 65.7(18) . . ? F10 F10' F11 139(4) . . ? F10 F10' C12 78(3) . . ? F11 F10' C12 61.1(19) . . ? C1 Ag1 O4 165.2(4) . . ? C1 Ag1 O6 111.8(3) . . ? O4 Ag1 O6 82.9(3) . . ? C1 Ag1 O21 94.1(3) . 2_445 ? O4 Ag1 O21 88.3(3) . 2_445 ? O6 Ag1 O21 74.6(2) . 2_445 ? C1 Ag1 Ag2 49.7(3) . . ? O4 Ag1 Ag2 115.5(2) . . ? O6 Ag1 Ag2 160.5(2) . . ? O21 Ag1 Ag2 98.49(17) 2_445 . ? C1 Ag1 Ag4 89.6(3) . . ? O4 Ag1 Ag4 95.1(2) . . ? O6 Ag1 Ag4 78.66(17) . . ? O21 Ag1 Ag4 152.40(16) 2_445 . ? Ag2 Ag1 Ag4 104.61(3) . . ? C1 Ag1 Ag3 91.2(3) . . ? O4 Ag1 Ag3 79.6(2) . . ? O6 Ag1 Ag3 130.88(17) . . ? O21 Ag1 Ag3 149.05(16) 2_445 . ? Ag2 Ag1 Ag3 62.71(3) . . ? Ag4 Ag1 Ag3 57.93(2) . . ? C1 Ag1 Ag5 55.6(3) . . ? O4 Ag1 Ag5 138.3(2) . . ? O6 Ag1 Ag5 60.9(2) . . ? O21 Ag1 Ag5 100.24(16) 2_445 . ? Ag2 Ag1 Ag5 103.61(3) . . ? Ag4 Ag1 Ag5 59.93(3) . . ? Ag3 Ag1 Ag5 107.80(3) . . ? C1 Ag1 Ag6 48.7(3) . 2_445 ? O4 Ag1 Ag6 136.4(2) . 2_445 ? O6 Ag1 Ag6 82.25(18) . 2_445 ? O21 Ag1 Ag6 48.28(17) 2_445 2_445 ? Ag2 Ag1 Ag6 79.75(3) . 2_445 ? Ag4 Ag1 Ag6 121.45(3) . 2_445 ? Ag3 Ag1 Ag6 138.30(3) . 2_445 ? Ag5 Ag1 Ag6 62.35(2) . 2_445 ? C1 Ag2 O2 168.7(3) . . ? C1 Ag2 O13 107.5(3) . . ? O2 Ag2 O13 81.6(3) . . ? C1 Ag2 O16 96.5(3) . 2_445 ? O2 Ag2 O16 90.9(3) . 2_445 ? O13 Ag2 O16 84.8(3) . 2_445 ? C1 Ag2 Ag1 48.9(3) . . ? O2 Ag2 Ag1 120.1(2) . . ? O13 Ag2 Ag1 130.89(18) . . ? O16 Ag2 Ag1 132.8(2) 2_445 . ? C1 Ag2 Ag3 91.1(3) . . ? O2 Ag2 Ag3 84.3(2) . . ? O13 Ag2 Ag3 77.65(17) . . ? O16 Ag2 Ag3 162.3(2) 2_445 . ? Ag1 Ag2 Ag3 63.26(3) . . ? C2 Ag3 O3 124.1(4) 2_455 . ? C2 Ag3 O1 127.4(3) 2_455 . ? O3 Ag3 O1 104.2(3) . . ? C2 Ag3 Ag4 50.4(3) 2_455 . ? O3 Ag3 Ag4 80.4(2) . . ? O1 Ag3 Ag4 173.62(19) . . ? C2 Ag3 Ag5 49.5(3) 2_455 2_455 ? O3 Ag3 Ag5 153.5(2) . 2_455 ? O1 Ag3 Ag5 78.1(2) . 2_455 ? Ag4 Ag3 Ag5 99.82(3) . 2_455 ? C2 Ag3 Ag2 96.4(2) 2_455 . ? O3 Ag3 Ag2 119.3(2) . . ? O1 Ag3 Ag2 74.27(19) . . ? Ag4 Ag3 Ag2 99.67(3) . . ? Ag5 Ag3 Ag2 86.92(3) 2_455 . ? C2 Ag3 Ag1 95.5(2) 2_455 . ? O3 Ag3 Ag1 76.76(19) . . ? O1 Ag3 Ag1 116.3(2) . . ? Ag4 Ag3 Ag1 60.02(2) . . ? Ag5 Ag3 Ag1 126.53(3) 2_455 . ? Ag2 Ag3 Ag1 54.03(2) . . ? C2 Ag3 Ag6 47.2(2) 2_455 2_455 ? O3 Ag3 Ag6 93.6(2) . 2_455 ? O1 Ag3 Ag6 117.3(2) . 2_455 ? Ag4 Ag3 Ag6 66.26(2) . 2_455 ? Ag5 Ag3 Ag6 63.24(3) 2_455 2_455 ? Ag2 Ag3 Ag6 142.38(3) . 2_455 ? Ag1 Ag3 Ag6 126.26(3) . 2_455 ? O5 Ag4 C2 159.2(3) . 2_455 ? O5 Ag4 O16 93.5(3) . . ? C2 Ag4 O16 107.0(3) 2_455 . ? O5 Ag4 O14 87.5(3) . 2_455 ? C2 Ag4 O14 91.0(3) 2_455 2_455 ? O16 Ag4 O14 84.0(3) . 2_455 ? O5 Ag4 Ag3 112.5(2) . . ? C2 Ag4 Ag3 47.2(2) 2_455 . ? O16 Ag4 Ag3 154.1(2) . . ? O14 Ag4 Ag3 96.59(16) 2_455 . ? O5 Ag4 Ag1 74.07(19) . . ? C2 Ag4 Ag1 94.8(2) 2_455 . ? O16 Ag4 Ag1 129.6(2) . . ? O14 Ag4 Ag1 141.59(17) 2_455 . ? Ag3 Ag4 Ag1 62.05(3) . . ? O5 Ag4 Ag5 84.1(2) . . ? C2 Ag4 Ag5 106.4(2) 2_455 . ? O16 Ag4 Ag5 68.4(2) . . ? O14 Ag4 Ag5 150.50(17) 2_455 . ? Ag3 Ag4 Ag5 112.75(3) . . ? Ag1 Ag4 Ag5 61.90(3) . . ? O15 Ag5 C2 168.1(4) . . ? O15 Ag5 O13 87.9(3) . 2_445 ? C2 Ag5 O13 96.7(3) . 2_445 ? O15 Ag5 C1 157.7(3) . . ? C2 Ag5 C1 28.4(3) . . ? O13 Ag5 C1 108.5(3) 2_445 . ? O15 Ag5 Ag3 124.3(3) . 2_445 ? C2 Ag5 Ag3 46.6(2) . 2_445 ? O13 Ag5 Ag3 79.66(18) 2_445 2_445 ? C1 Ag5 Ag3 74.9(2) . 2_445 ? O15 Ag5 Ag4 78.5(2) . . ? C2 Ag5 Ag4 101.4(2) . . ? O13 Ag5 Ag4 152.50(18) 2_445 . ? C1 Ag5 Ag4 80.2(2) . . ? Ag3 Ag5 Ag4 127.71(3) 2_445 . ? O15 Ag5 Ag1 118.4(3) . . ? C2 Ag5 Ag1 70.3(2) . . ? O13 Ag5 Ag1 110.47(18) 2_445 . ? C1 Ag5 Ag1 42.2(2) . . ? Ag3 Ag5 Ag1 116.81(3) 2_445 . ? Ag4 Ag5 Ag1 58.17(2) . . ? O15 Ag5 Ag6 142.7(2) . 2_445 ? C2 Ag5 Ag6 47.6(2) . 2_445 ? O13 Ag5 Ag6 61.52(18) 2_445 2_445 ? C1 Ag5 Ag6 47.4(2) . 2_445 ? Ag3 Ag5 Ag6 73.44(3) 2_445 2_445 ? Ag4 Ag5 Ag6 118.70(3) . 2_445 ? Ag1 Ag5 Ag6 61.32(2) . 2_445 ? O15 Ag5 Ag6 124.2(2) . . ? C2 Ag5 Ag6 47.4(2) . . ? O13 Ag5 Ag6 140.44(18) 2_445 . ? C1 Ag5 Ag6 49.9(2) . . ? Ag3 Ag5 Ag6 63.61(3) 2_445 . ? Ag4 Ag5 Ag6 65.09(2) . . ? Ag1 Ag5 Ag6 76.47(3) . . ? Ag6 Ag5 Ag6 92.75(2) 2_445 . ? C2 Ag6 C2 122.83(8) . 2_455 ? C2 Ag6 C1 142.4(3) . 2_455 ? C2 Ag6 C1 29.1(3) 2_455 2_455 ? C2 Ag6 O21 118.6(3) . . ? C2 Ag6 O21 115.6(3) 2_455 . ? C1 Ag6 O21 87.9(3) 2_455 . ? C2 Ag6 O14 88.9(3) . . ? C2 Ag6 O14 122.5(3) 2_455 . ? C1 Ag6 O14 125.7(3) 2_455 . ? O21 Ag6 O14 74.2(2) . . ? C2 Ag6 C1 28.3(3) . . ? C2 Ag6 C1 98.1(3) 2_455 . ? C1 Ag6 C1 124.30(12) 2_455 . ? O21 Ag6 C1 145.9(3) . . ? O14 Ag6 C1 92.1(3) . . ? C2 Ag6 Ag1 165.1(2) . 2_455 ? C2 Ag6 Ag1 65.4(2) 2_455 2_455 ? C1 Ag6 Ag1 40.0(2) 2_455 2_455 ? O21 Ag6 Ag1 50.49(16) . 2_455 ? O14 Ag6 Ag1 96.42(16) . 2_455 ? C1 Ag6 Ag1 163.5(2) . 2_455 ? C2 Ag6 Ag5 138.6(2) . 2_455 ? C2 Ag6 Ag5 43.2(2) 2_455 2_455 ? C1 Ag6 Ag5 50.8(2) 2_455 2_455 ? O21 Ag6 Ag5 96.88(16) . 2_455 ? O14 Ag6 Ag5 80.45(16) . 2_455 ? C1 Ag6 Ag5 111.7(2) . 2_455 ? Ag1 Ag6 Ag5 56.33(2) 2_455 2_455 ? C2 Ag6 Ag5 43.2(2) . . ? C2 Ag6 Ag5 95.3(2) 2_455 . ? C1 Ag6 Ag5 102.1(2) 2_455 . ? O21 Ag6 Ag5 118.11(17) . . ? O14 Ag6 Ag5 131.75(16) . . ? C1 Ag6 Ag5 50.3(2) . . ? Ag1 Ag6 Ag5 128.34(3) 2_455 . ? Ag5 Ag6 Ag5 136.20(3) 2_455 . ? C2 Ag6 Ag3 40.7(2) . 2_445 ? C2 Ag6 Ag3 147.5(2) 2_455 2_445 ? C1 Ag6 Ag3 138.7(2) 2_455 2_445 ? O21 Ag6 Ag3 79.53(16) . 2_445 ? O14 Ag6 Ag3 88.56(16) . 2_445 ? C1 Ag6 Ag3 68.9(2) . 2_445 ? Ag1 Ag6 Ag3 125.25(3) 2_455 2_445 ? Ag5 Ag6 Ag3 169.01(3) 2_455 2_445 ? Ag5 Ag6 Ag3 53.15(2) . 2_445 ? N4 Ag7 O21 159.8(4) 4_575 . ? N4 Ag7 O14 118.1(4) 4_575 . ? O21 Ag7 O14 81.2(3) . . ? N2 Ag8 O22 163.3(5) 3_576 . ? N3 Ag9 O23 143.0(5) 3_575 . ? N3 Ag9 O11 131.5(4) 3_575 2_545 ? O23 Ag9 O11 85.5(3) . 2_545 ? N1 Ag10 O24 154.5(4) 4_676 . ? N1 Ag10 O19 118.8(4) 4_676 . ? O24 Ag10 O19 74.8(3) . . ? O17 Ag11 C4 174.5(4) . 2_545 ? O17 Ag11 O20 91.1(3) . 2_545 ? C4 Ag11 O20 93.0(3) 2_545 2_545 ? O17 Ag11 C3 153.1(3) . 2_545 ? C4 Ag11 C3 28.9(3) 2_545 2_545 ? O20 Ag11 C3 99.8(3) 2_545 2_545 ? O17 Ag11 Ag13 133.7(3) . 2_545 ? C4 Ag11 Ag13 43.3(2) 2_545 2_545 ? O20 Ag11 Ag13 84.19(18) 2_545 2_545 ? C3 Ag11 Ag13 72.2(2) 2_545 2_545 ? O17 Ag11 Ag15 125.8(2) . . ? C4 Ag11 Ag15 49.8(2) 2_545 . ? O20 Ag11 Ag15 142.68(19) 2_545 . ? C3 Ag11 Ag15 50.4(2) 2_545 . ? Ag13 Ag11 Ag15 66.70(3) 2_545 . ? O17 Ag11 Ag16 113.0(3) . . ? C4 Ag11 Ag16 70.2(2) 2_545 . ? O20 Ag11 Ag16 96.19(19) 2_545 . ? C3 Ag11 Ag16 41.8(2) 2_545 . ? Ag13 Ag11 Ag16 113.24(3) 2_545 . ? Ag15 Ag11 Ag16 75.97(3) . . ? O17 Ag11 Ag12 76.3(2) . . ? C4 Ag11 Ag12 102.8(2) 2_545 . ? O20 Ag11 Ag12 138.80(18) 2_545 . ? C3 Ag11 Ag12 79.4(2) 2_545 . ? Ag13 Ag11 Ag12 132.40(3) 2_545 . ? Ag15 Ag11 Ag12 65.73(2) . . ? Ag16 Ag11 Ag12 55.96(2) . . ? O7 Ag12 C4 153.8(4) . . ? O7 Ag12 O18 94.8(3) . . ? C4 Ag12 O18 111.0(3) . . ? O7 Ag12 Ag13 105.5(3) . . ? C4 Ag12 Ag13 48.5(3) . . ? O18 Ag12 Ag13 159.42(18) . . ? O7 Ag12 Ag16 73.1(2) . . ? C4 Ag12 Ag16 93.6(2) . . ? O18 Ag12 Ag16 127.2(2) . . ? Ag13 Ag12 Ag16 63.90(3) . . ? O7 Ag12 Ag11 90.4(2) . . ? C4 Ag12 Ag11 103.1(2) . . ? O18 Ag12 Ag11 67.6(2) . . ? Ag13 Ag12 Ag11 114.65(3) . . ? Ag16 Ag12 Ag11 61.50(3) . . ? C4 Ag13 O10 154.5(4) . . ? C4 Ag13 O11 108.7(3) . . ? O10 Ag13 O11 95.3(3) . . ? C4 Ag13 Ag12 51.3(3) . . ? O10 Ag13 Ag12 104.6(3) . . ? O11 Ag13 Ag12 160.0(2) . . ? C4 Ag13 Ag14 87.5(2) . . ? O10 Ag13 Ag14 105.8(3) . . ? O11 Ag13 Ag14 78.8(2) . . ? Ag12 Ag13 Ag14 97.39(3) . . ? C4 Ag13 Ag16 92.8(2) . . ? O10 Ag13 Ag16 78.5(2) . . ? O11 Ag13 Ag16 127.3(2) . . ? Ag12 Ag13 Ag16 60.45(3) . . ? Ag14 Ag13 Ag16 54.06(2) . . ? C4 Ag13 Ag11 48.5(3) . 2 ? O10 Ag13 Ag11 153.3(3) . 2 ? O11 Ag13 Ag11 60.4(2) . 2 ? Ag12 Ag13 Ag11 99.70(3) . 2 ? Ag14 Ag13 Ag11 81.54(3) . 2 ? Ag16 Ag13 Ag11 123.98(3) . 2 ? O12 Ag14 C3 163.2(4) . 2_545 ? O12 Ag14 O20 79.4(3) . . ? C3 Ag14 O20 112.4(3) 2_545 . ? O12 Ag14 Ag16 115.0(3) . . ? C3 Ag14 Ag16 48.2(2) 2_545 . ? O20 Ag14 Ag16 136.70(19) . . ? O12 Ag14 Ag13 74.3(3) . . ? C3 Ag14 Ag13 94.5(2) 2_545 . ? O20 Ag14 Ag13 84.64(17) . . ? Ag16 Ag14 Ag13 63.19(3) . . ? O12 Ag14 Ag15 134.8(2) . . ? C3 Ag14 Ag15 50.8(2) 2_545 . ? O20 Ag14 Ag15 63.45(19) . . ? Ag16 Ag14 Ag15 80.92(3) . . ? Ag13 Ag14 Ag15 77.38(3) . . ? O24 Ag15 C3 101.9(3) . . ? O24 Ag15 C4 100.3(3) . 2_545 ? C3 Ag15 C4 149.9(3) . 2_545 ? O24 Ag15 O19 71.8(3) . . ? C3 Ag15 O19 118.2(3) . . ? C4 Ag15 O19 88.0(3) 2_545 . ? O24 Ag15 C3 128.8(3) . 2_545 ? C3 Ag15 C3 125.74(9) . 2_545 ? C4 Ag15 C3 28.6(3) 2_545 2_545 ? O19 Ag15 C3 97.2(3) . 2_545 ? O24 Ag15 C4 130.5(3) . . ? C3 Ag15 C4 28.6(3) . . ? C4 Ag15 C4 125.96(11) 2_545 . ? O19 Ag15 C4 121.0(3) . . ? C3 Ag15 C4 98.6(3) 2_545 . ? O24 Ag15 Ag16 63.1(2) . 2 ? C3 Ag15 Ag16 42.6(2) . 2 ? C4 Ag15 Ag16 163.2(2) 2_545 2 ? O19 Ag15 Ag16 88.65(17) . 2 ? C3 Ag15 Ag16 167.9(2) 2_545 2 ? C4 Ag15 Ag16 69.4(2) . 2 ? O24 Ag15 Ag11 102.0(2) . . ? C3 Ag15 Ag11 107.6(2) . . ? C4 Ag15 Ag11 47.5(2) 2_545 . ? O19 Ag15 Ag11 134.14(17) . . ? C3 Ag15 Ag11 50.5(2) 2_545 . ? C4 Ag15 Ag11 98.0(2) . . ? Ag16 Ag15 Ag11 130.19(3) 2 . ? O24 Ag15 Ag14 143.5(2) . . ? C3 Ag15 Ag14 105.7(2) . . ? C4 Ag15 Ag14 65.3(2) 2_545 . ? O19 Ag15 Ag14 74.28(17) . . ? C3 Ag15 Ag14 43.8(2) 2_545 . ? C4 Ag15 Ag14 79.3(2) . . ? Ag16 Ag15 Ag14 129.22(3) 2 . ? Ag11 Ag15 Ag14 92.04(3) . . ? C3 Ag16 O9 157.0(3) 2_545 . ? C3 Ag16 O8 119.5(3) 2_545 . ? O9 Ag16 O8 80.6(3) . . ? C3 Ag16 Ag14 51.4(3) 2_545 . ? O9 Ag16 Ag14 107.7(2) . . ? O8 Ag16 Ag14 170.5(2) . . ? C3 Ag16 Ag12 90.4(2) 2_545 . ? O9 Ag16 Ag12 104.2(2) . . ? O8 Ag16 Ag12 81.70(19) . . ? Ag14 Ag16 Ag12 100.22(3) . . ? C3 Ag16 Ag13 96.3(3) 2_545 . ? O9 Ag16 Ag13 78.3(2) . . ? O8 Ag16 Ag13 124.70(19) . . ? Ag14 Ag16 Ag13 62.76(3) . . ? Ag12 Ag16 Ag13 55.64(2) . . ? C3 Ag16 Ag15 49.9(2) 2_545 2_545 ? O9 Ag16 Ag15 123.6(2) . 2_545 ? O8 Ag16 Ag15 93.1(2) . 2_545 ? Ag14 Ag16 Ag15 78.53(3) . 2_545 ? Ag12 Ag16 Ag15 130.40(3) . 2_545 ? Ag13 Ag16 Ag15 140.50(3) . 2_545 ? C3 Ag16 Ag11 51.6(3) 2_545 . ? O9 Ag16 Ag11 151.3(2) . . ? O8 Ag16 Ag11 72.5(2) . . ? Ag14 Ag16 Ag11 99.94(3) . . ? Ag12 Ag16 Ag11 62.54(3) . . ? Ag13 Ag16 Ag11 108.77(3) . . ? Ag15 Ag16 Ag11 68.82(2) 2_545 . ? C2 C1 Ag1 141.8(8) . . ? C2 C1 Ag2 136.7(8) . . ? Ag1 C1 Ag2 81.5(4) . . ? C2 C1 Ag6 74.5(6) . 2_445 ? Ag1 C1 Ag6 91.3(3) . 2_445 ? Ag2 C1 Ag6 115.7(4) . 2_445 ? C2 C1 Ag6 69.8(6) . . ? Ag1 C1 Ag6 116.0(4) . . ? Ag2 C1 Ag6 92.1(3) . . ? Ag6 C1 Ag6 144.3(4) 2_445 . ? C2 C1 Ag5 61.1(6) . . ? Ag1 C1 Ag5 82.2(3) . . ? Ag2 C1 Ag5 156.2(5) . . ? Ag6 C1 Ag5 81.8(3) 2_445 . ? Ag6 C1 Ag5 79.8(3) . . ? C1 C2 Ag3 172.0(8) . 2_445 ? C1 C2 Ag5 90.5(7) . . ? Ag3 C2 Ag5 84.0(3) 2_445 . ? C1 C2 Ag4 103.2(7) . 2_445 ? Ag3 C2 Ag4 82.5(3) 2_445 2_445 ? Ag5 C2 Ag4 166.2(5) . 2_445 ? C1 C2 Ag6 81.9(6) . . ? Ag3 C2 Ag6 92.1(3) 2_445 . ? Ag5 C2 Ag6 89.4(3) . . ? Ag4 C2 Ag6 93.4(3) 2_445 . ? C1 C2 Ag6 76.4(6) . 2_445 ? Ag3 C2 Ag6 109.3(4) 2_445 2_445 ? Ag5 C2 Ag6 89.2(3) . 2_445 ? Ag4 C2 Ag6 93.1(3) 2_445 2_445 ? Ag6 C2 Ag6 158.2(5) . 2_445 ? C4 C3 Ag16 152.6(8) . 2 ? C4 C3 Ag14 126.8(8) . 2 ? Ag16 C3 Ag14 80.5(3) 2 2 ? C4 C3 Ag15 81.2(6) . . ? Ag16 C3 Ag15 87.5(3) 2 . ? Ag14 C3 Ag15 109.2(4) 2 . ? C4 C3 Ag15 73.7(6) . 2 ? Ag16 C3 Ag15 115.8(4) 2 2 ? Ag14 C3 Ag15 85.3(3) 2 2 ? Ag15 C3 Ag15 154.8(4) . 2 ? C4 C3 Ag11 69.3(6) . 2 ? Ag16 C3 Ag11 86.7(3) 2 2 ? Ag14 C3 Ag11 153.1(4) 2 2 ? Ag15 C3 Ag11 93.6(3) . 2 ? Ag15 C3 Ag11 79.1(3) 2 2 ? C3 C4 Ag13 169.4(8) . . ? C3 C4 Ag12 109.7(8) . . ? Ag13 C4 Ag12 80.2(3) . . ? C3 C4 Ag11 81.7(7) . 2 ? Ag13 C4 Ag11 88.2(4) . 2 ? Ag12 C4 Ag11 168.2(5) . 2 ? C3 C4 Ag15 77.8(6) . 2 ? Ag13 C4 Ag15 97.8(4) . 2 ? Ag12 C4 Ag15 96.3(3) . 2 ? Ag11 C4 Ag15 82.7(3) 2 2 ? C3 C4 Ag15 70.2(6) . . ? Ag13 C4 Ag15 114.0(4) . . ? Ag12 C4 Ag15 93.1(3) . . ? Ag11 C4 Ag15 94.0(3) 2 . ? Ag15 C4 Ag15 147.9(4) 2 . ? O2 C5 O1 129.3(10) . . ? O2 C5 C6 114.7(10) . . ? O1 C5 C6 115.9(10) . . ? F2 C6 F3 107.0(11) . . ? F2 C6 F1 106.6(12) . . ? F3 C6 F1 103.7(11) . . ? F2 C6 C5 115.0(11) . . ? F3 C6 C5 114.8(10) . . ? F1 C6 C5 109.0(11) . . ? O4 C7 O3 130.3(10) . . ? O4 C7 C8 113.3(9) . . ? O3 C7 C8 116.4(9) . . ? F5 C8 F4 106.8(11) . . ? F5 C8 F6 108.5(11) . . ? F4 C8 F6 104.1(11) . . ? F5 C8 C7 113.1(10) . . ? F4 C8 C7 113.8(9) . . ? F6 C8 C7 110.1(9) . . ? O6 C9 O5 128.7(10) . . ? O6 C9 C10 117.4(9) . . ? O5 C9 C10 113.9(9) . . ? F7 C10 F8 103.0(14) . . ? F7 C10 F9 120.0(13) . . ? F8 C10 F9 86.1(15) . . ? F7 C10 F9' 91.0(17) . . ? F8 C10 F9' 124.4(19) . . ? F9 C10 F9' 42.5(14) . . ? F7 C10 C9 117.2(10) . . ? F8 C10 C9 113.4(11) . . ? F9 C10 C9 112.1(12) . . ? F9' C10 C9 106.4(15) . . ? O7 C11 O8 128.7(10) . . ? O7 C11 C12 113.7(10) . . ? O8 C11 C12 117.6(10) . . ? F12 C12 F11 125.1(15) . . ? F12 C12 F10' 116(2) . . ? F11 C12 F10' 56.4(19) . . ? F12 C12 F11' 95.6(19) . . ? F11 C12 F11' 43.3(13) . . ? F10' C12 F11' 97(2) . . ? F12 C12 F10 96.9(16) . . ? F11 C12 F10 94.2(16) . . ? F10' C12 F10 37.8(18) . . ? F11' C12 F10 133.0(19) . . ? F12 C12 C11 116.5(13) . . ? F11 C12 C11 112.2(12) . . ? F10' C12 C11 118(2) . . ? F11' C12 C11 110.0(16) . . ? F10 C12 C11 104.2(13) . . ? O9 C13 O10 130.2(10) . . ? O9 C13 C14 114.8(10) . . ? O10 C13 C14 115.0(11) . . ? F15 C14 F14 103.4(16) . . ? F15 C14 F13 98.6(16) . . ? F14 C14 F13 114.3(17) . . ? F15 C14 C13 114.6(15) . . ? F14 C14 C13 114.7(11) . . ? F13 C14 C13 110.0(13) . . ? O12 C15 O11 130.2(12) . . ? O12 C15 C16 117.2(11) . . ? O11 C15 C16 112.6(10) . . ? F16 C16 F18 110.5(12) . . ? F16 C16 F17 103.1(11) . . ? F18 C16 F17 106.6(11) . . ? F16 C16 C15 115.6(10) . . ? F18 C16 C15 110.5(10) . . ? F17 C16 C15 109.9(11) . . ? O14 C17 O13 123.5(9) . . ? O14 C17 C18 118.3(9) . . ? O13 C17 C18 118.1(9) . . ? C21 C18 C19 120.1(10) . . ? C21 C18 C17 120.7(9) . . ? C19 C18 C17 119.1(9) . . ? C20 C19 C18 120.2(10) . . ? C19 C20 C23 118.7(11) . . ? C18 C21 C22 120.1(10) . . ? C23 C22 C21 119.9(10) . . ? C22 C23 C20 120.9(10) . . ? C22 C23 C24 117.5(10) . . ? C20 C23 C24 121.5(10) . . ? N1 C24 C23 177.7(13) . . ? O16 C25 O15 125.1(10) . . ? O16 C25 C26 120.1(9) . . ? O15 C25 C26 114.9(9) . . ? C27 C26 C29 120.8(10) . . ? C27 C26 C25 119.5(9) . . ? C29 C26 C25 119.6(10) . . ? C26 C27 C28 120.7(10) . . ? C27 C28 C31 117.9(11) . . ? C30 C29 C26 120.1(11) . . ? C29 C30 C31 118.8(10) . . ? C30 C31 C28 121.4(10) . . ? C30 C31 C32 119.5(11) . . ? C28 C31 C32 119.1(12) . . ? N2 C32 C31 176.5(13) . . ? O18 C33 O17 126.3(10) . . ? O18 C33 C34 118.2(9) . . ? O17 C33 C34 115.5(9) . . ? C35 C34 C37 121.1(10) . . ? C35 C34 C33 120.3(10) . . ? C37 C34 C33 118.6(9) . . ? C34 C35 C36 119.1(11) . . ? C39 C36 C35 120.6(10) . . ? C38 C37 C34 119.8(10) . . ? C37 C38 C39 117.2(11) . . ? C36 C39 C38 121.9(10) . . ? C36 C39 C40 120.6(11) . . ? C38 C39 C40 117.5(12) . . ? N3 C40 C39 175.0(17) . . ? O19 C41 O20 122.0(10) . . ? O19 C41 C42 119.2(9) . . ? O20 C41 C42 118.8(9) . . ? C43 C42 C45 121.0(9) . . ? C43 C42 C41 119.2(9) . . ? C45 C42 C41 119.6(9) . . ? C44 C43 C42 119.9(9) . . ? C43 C44 C47 119.6(9) . . ? C46 C45 C42 119.5(10) . . ? C45 C46 C47 118.8(10) . . ? C44 C47 C46 121.1(10) . . ? C44 C47 C48 118.2(10) . . ? C46 C47 C48 120.7(10) . . ? N4 C48 C47 176.6(13) . . ? O22 C49 O21 121.0(10) . . ? O22 C49 C50 120.7(9) . . ? O21 C49 C50 118.3(9) . . ? C51 C50 C53 118.7(9) . . ? C51 C50 C49 120.8(9) . . ? C53 C50 C49 120.4(9) . . ? C50 C51 C52 121.3(9) . . ? C51 C52 C55 119.5(9) . . ? C54 C53 C50 120.4(9) . . ? C53 C54 C55 121.1(10) . . ? C54 C55 C52 118.8(9) . . ? C54 C55 C56 119.4(10) . . ? C52 C55 C56 121.7(9) . . ? O24 C56 O23 121.8(11) . . ? O24 C56 C55 119.1(10) . . ? O23 C56 C55 119.1(11) . . ? C10 F8 F9 47.2(11) . . ? F9' F9 C10 74(2) . . ? F9' F9 F8 117(2) . . ? C10 F9 F8 46.7(10) . . ? F10' F10 C12 64(3) . . ? F11' F11 F10' 127(3) . . ? F11' F11 C12 71.0(19) . . ? F10' F11 C12 62.5(19) . . ? C24 N1 Ag10 155.2(10) . 4_575 ? C32 N2 Ag8 169.1(13) . 3_576 ? C40 N3 Ag9 172.5(13) . 3_575 ? C48 N4 Ag7 156.2(10) . 4_676 ? C5 O1 Ag3 126.8(7) . . ? C5 O2 Ag2 119.9(7) . . ? C7 O3 Ag3 122.2(7) . . ? C7 O4 Ag1 124.5(7) . . ? C9 O5 Ag4 127.7(7) . . ? C9 O6 Ag1 108.9(7) . . ? C11 O7 Ag12 130.8(8) . . ? C11 O8 Ag16 109.5(7) . . ? C13 O9 Ag16 126.0(7) . . ? C13 O10 Ag13 126.2(8) . . ? C15 O11 Ag13 111.4(7) . . ? C15 O11 Ag9 127.2(7) . 2 ? Ag13 O11 Ag9 120.5(3) . 2 ? C15 O12 Ag14 126.6(8) . . ? C17 O13 Ag5 119.1(6) . 2_455 ? C17 O13 Ag2 111.5(6) . . ? Ag5 O13 Ag2 114.1(3) 2_455 . ? C17 O14 Ag7 121.0(6) . . ? C17 O14 Ag6 107.9(6) . . ? Ag7 O14 Ag6 99.1(3) . . ? C17 O14 Ag4 117.8(6) . 2_445 ? Ag7 O14 Ag4 115.4(3) . 2_445 ? Ag6 O14 Ag4 86.0(2) . 2_445 ? C25 O15 Ag5 119.8(7) . . ? C25 O16 Ag4 110.8(7) . . ? C25 O16 Ag2 162.8(8) . 2_455 ? Ag4 O16 Ag2 86.2(3) . 2_455 ? C33 O17 Ag11 119.7(7) . . ? C33 O18 Ag12 116.4(7) . . ? C41 O19 Ag10 120.2(6) . . ? C41 O19 Ag15 109.4(6) . . ? Ag10 O19 Ag15 100.4(3) . . ? C41 O20 Ag11 124.8(6) . 2 ? C41 O20 Ag14 111.3(6) . . ? Ag11 O20 Ag14 108.7(3) 2 . ? C49 O21 Ag7 130.2(6) . . ? C49 O21 Ag6 101.1(6) . . ? Ag7 O21 Ag6 105.5(3) . . ? C49 O21 Ag1 111.9(6) . 2_455 ? Ag7 O21 Ag1 113.3(3) . 2_455 ? Ag6 O21 Ag1 81.2(2) . 2_455 ? C49 O22 Ag8 125.4(7) . . ? C56 O23 Ag9 120.4(8) . . ? C56 O24 Ag10 139.7(7) . . ? C56 O24 Ag15 109.6(7) . . ? Ag10 O24 Ag15 108.8(3) . . ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 28.03 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 5.070 _refine_diff_density_min -4.776 _refine_diff_density_rms 0.602 _database_code_depnum_ccdc_archive 'CCDC 956808'