Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2006 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'Thomas C. W. Mak' _publ_contact_author_address ; Department of Chemistry The Chinese University of Hong Kong Shatin, New Territories Hong Kong CHINA ; _publ_contact_author_email TCWMAK@CUHK.EDU.HK _publ_section_title ; Polyhedral C2@Agn cages distorted by ancillary pyridine N-oxide ligands in silver-acetylenediide complexes ; loop_ _publ_author_name 'T. C. W. Mak' 'Lin-Ping Zhang.' 'Xiao-Li Zhao.' # Attachment 'xlz8-new.cif' data_compound1 _database_code_depnum_ccdc_archive 'CCDC 275845' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C37.50 H17.50 Ag12 F24 N3.50 O19.50' _chemical_formula_weight 2579.49 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 P2(1)/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 16.5531(13) _cell_length_b 15.5601(13) _cell_length_c 24.4408(19) _cell_angle_alpha 90.00 _cell_angle_beta 101.620(2) _cell_angle_gamma 90.00 _cell_volume 6166.1(9) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.779 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4812 _exptl_absorpt_coefficient_mu 3.860 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.567611 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(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 33812 _diffrn_reflns_av_R_equivalents 0.0714 _diffrn_reflns_av_sigmaI/netI 0.0642 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_theta_min 1.26 _diffrn_reflns_theta_max 25.00 _reflns_number_total 10849 _reflns_number_gt 7360 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0694P)^2^+114.5941P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 10849 _refine_ls_number_parameters 859 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1069 _refine_ls_R_factor_gt 0.0694 _refine_ls_wR_factor_ref 0.1863 _refine_ls_wR_factor_gt 0.1591 _refine_ls_goodness_of_fit_ref 1.109 _refine_ls_restrained_S_all 1.109 _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 0.07289(7) 0.65445(7) 0.50618(5) 0.0417(3) Uani 1 1 d . . . Ag2 Ag 0.09219(7) 0.59317(8) 0.39553(5) 0.0392(3) Uani 1 1 d . . . Ag3 Ag 0.24410(8) 0.53246(8) 0.57716(6) 0.0512(4) Uani 1 1 d . . . Ag4 Ag 0.25573(8) 0.50997(9) 0.42523(7) 0.0627(4) Uani 1 1 d . . . Ag5 Ag 0.03085(6) 0.48687(7) 0.55870(4) 0.0335(3) Uani 1 1 d . . . Ag6 Ag 0.13409(7) 0.37079(7) 0.43644(5) 0.0417(3) Uani 1 1 d . . . Ag7 Ag 0.17962(7) 0.35966(7) 0.55816(5) 0.0398(3) Uani 1 1 d . . . Ag8 Ag 0.42206(8) 0.65199(8) 0.47454(5) 0.0482(3) Uani 1 1 d . . . Ag9 Ag 0.40339(7) 0.62861(7) 0.59105(5) 0.0403(3) Uani 1 1 d . . . Ag10 Ag 0.32943(8) 0.34787(7) 0.46506(6) 0.0475(3) Uani 1 1 d . . . Ag11 Ag 0.37435(7) 0.40109(8) 0.58361(5) 0.0421(3) Uani 1 1 d . . . Ag12 Ag 0.46886(7) 0.46644(7) 0.44366(5) 0.0360(3) Uani 1 1 d . . . C1 C 0.1459(8) 0.4762(9) 0.5129(6) 0.032(3) Uani 1 1 d . . . C2 C 0.1107(8) 0.5145(8) 0.4702(5) 0.029(3) Uani 1 1 d . . . C3 C 0.3890(9) 0.5297(9) 0.5276(6) 0.037(4) Uani 1 1 d . . . C4 C 0.3607(8) 0.4754(9) 0.4940(6) 0.032(3) Uani 1 1 d . . . O1 O 0.3100(7) 0.5585(7) 0.6651(5) 0.054(3) Uani 1 1 d . . . O2 O 0.3825(9) 0.4358(9) 0.6740(5) 0.069(4) Uani 1 1 d . . . C5 C 0.3577(10) 0.5048(12) 0.6916(7) 0.049(4) Uani 1 1 d . . . C6 C 0.3925(17) 0.5216(15) 0.7537(9) 0.078(7) Uani 1 1 d . . . F11 F 0.4645(14) 0.5504(19) 0.7612(8) 0.202(12) Uani 1 1 d . . . F12 F 0.3519(15) 0.5761(17) 0.7732(6) 0.222(15) Uani 1 1 d . . . F13 F 0.3986(17) 0.4565(13) 0.7839(6) 0.186(11) Uani 1 1 d . . . O3 O 0.1619(7) 0.2265(7) 0.4377(5) 0.056(3) Uani 1 1 d . . . O4 O 0.2964(7) 0.2185(7) 0.4398(6) 0.062(4) Uani 1 1 d . . . C7 C 0.2254(10) 0.1922(9) 0.4325(7) 0.039(4) Uani 1 1 d . . . C8 C 0.2163(15) 0.0953(12) 0.4158(11) 0.071(6) Uani 1 1 d . . . F21 F 0.2102(17) 0.0490(8) 0.4565(7) 0.177(10) Uani 1 1 d . . . F22 F 0.2665(12) 0.0687(9) 0.3898(11) 0.188(11) Uani 1 1 d . . . F23 F 0.1459(13) 0.0787(10) 0.3821(8) 0.148(7) Uani 1 1 d . . . O5 O 0.2313(7) 0.2397(7) 0.5935(6) 0.063(4) Uani 1 1 d . . . O6 O 0.3634(8) 0.2555(8) 0.5906(6) 0.070(4) Uani 1 1 d . . . C9 C 0.3020(11) 0.2166(10) 0.5988(7) 0.045(4) Uani 1 1 d . . . C10 C 0.3189(13) 0.1205(12) 0.6153(9) 0.068(6) Uani 1 1 d . . . F31 F 0.3072(15) 0.0743(9) 0.5724(8) 0.161(9) Uani 1 1 d . . . F32 F 0.2664(10) 0.0916(9) 0.6438(9) 0.136(7) Uani 1 1 d . . . F33 F 0.3904(9) 0.1069(10) 0.6440(8) 0.129(6) Uani 1 1 d . . . O7 O 0.1084(7) 0.4391(8) 0.6411(5) 0.053(3) Uani 1 1 d . . . O8 O 0.0106(7) 0.3757(8) 0.6782(4) 0.054(3) Uani 1 1 d . . . C11 C 0.0807(11) 0.3976(12) 0.6767(7) 0.051(4) Uani 1 1 d . . . C12 C 0.1434(12) 0.371(3) 0.7272(10) 0.112(12) Uani 1 1 d . . . F41 F 0.175(2) 0.444(2) 0.7548(10) 0.31(3) Uani 1 1 d . . . F42 F 0.2104(13) 0.346(2) 0.7151(10) 0.235(17) Uani 1 1 d . . . F43 F 0.1264(9) 0.3269(13) 0.7634(6) 0.131(7) Uani 1 1 d . . . O9 O 0.4963(7) 0.3171(9) 0.3419(5) 0.060(3) Uani 1 1 d . . . O10 O 0.3946(7) 0.3892(8) 0.3698(5) 0.055(3) Uani 1 1 d . . . C13 C 0.4274(10) 0.3365(11) 0.3402(6) 0.044(4) Uani 1 1 d . . . C14 C 0.3590(12) 0.2925(18) 0.2955(11) 0.085(8) Uani 1 1 d . . . F51 F 0.332(2) 0.229(2) 0.3128(9) 0.27(2) Uani 1 1 d . . . F52 F 0.2982(12) 0.334(2) 0.2796(12) 0.248(19) Uani 1 1 d . . . F53 F 0.3826(10) 0.2692(15) 0.2530(7) 0.160(9) Uani 1 1 d . . . O11 O 0.3240(7) 0.7504(7) 0.5918(5) 0.055(3) Uani 1 1 d . . . O12 O 0.2085(7) 0.6843(7) 0.5549(5) 0.059(3) Uani 1 1 d . . . C15 C 0.2520(10) 0.7475(9) 0.5717(7) 0.042(4) Uani 1 1 d . . . C16 C 0.2031(11) 0.8329(11) 0.5643(10) 0.059(5) Uani 1 1 d . . . F61 F 0.1425(13) 0.8354(9) 0.5284(12) 0.235(16) Uani 1 1 d . . . F62 F 0.2433(11) 0.8966(9) 0.5584(12) 0.175(10) Uani 1 1 d . . . F63 F 0.179(2) 0.8513(16) 0.6080(13) 0.256(18) Uani 1 1 d . . . O13 O 0.2853(7) 0.6641(7) 0.4242(5) 0.058(3) Uani 1 1 d . . . O14 O 0.1636(6) 0.7162(7) 0.3814(5) 0.051(3) Uani 1 1 d . . . C17 C 0.2377(10) 0.7218(10) 0.4019(7) 0.041(4) Uani 1 1 d . . . C18 C 0.2783(13) 0.8087(12) 0.3980(10) 0.067(6) Uani 1 1 d . . . F71 F 0.3323(14) 0.8055(11) 0.3679(11) 0.189(11) Uani 1 1 d . . . F72 F 0.3230(15) 0.8309(12) 0.4438(9) 0.182(11) Uani 1 1 d . . . F73 F 0.2286(9) 0.8681(8) 0.3780(10) 0.166(10) Uani 1 1 d . . . O15 O -0.1306(9) 0.6194(9) 0.6581(5) 0.073(4) Uani 1 1 d . . . O16 O -0.1895(7) 0.4929(8) 0.6649(5) 0.056(3) Uani 1 1 d . . . C19 C -0.1506(10) 0.5584(13) 0.6826(7) 0.051(4) Uani 1 1 d . . . C20 C -0.1095(14) 0.5574(15) 0.7435(8) 0.063(5) Uani 1 1 d . . . F81 F -0.1395(15) 0.5075(19) 0.7738(7) 0.199(12) Uani 1 1 d . . . F82 F -0.0366(12) 0.5335(18) 0.7542(8) 0.187(11) Uani 1 1 d . . . F83 F -0.1123(15) 0.6280(13) 0.7687(6) 0.176(10) Uani 1 1 d . . . N1 N 0.4347(8) 0.6260(8) 0.3382(5) 0.040(3) Uani 1 1 d . . . O17 O 0.4699(6) 0.6073(7) 0.3906(4) 0.047(3) Uani 1 1 d . . . C21 C 0.4660(11) 0.6899(12) 0.3133(9) 0.066(6) Uani 1 1 d . . . H21A H 0.5106 0.7219 0.3321 0.079 Uiso 1 1 calc R . . C22 C 0.4289(13) 0.7077(15) 0.2573(9) 0.082(7) Uani 1 1 d . . . H22A H 0.4495 0.7525 0.2389 0.098 Uiso 1 1 calc R . . C23 C 0.3665(15) 0.6630(19) 0.2302(9) 0.096(9) Uani 1 1 d . . . H23A H 0.3434 0.6744 0.1930 0.115 Uiso 1 1 calc R . . C24 C 0.3357(14) 0.5973(16) 0.2596(9) 0.088(8) Uani 1 1 d . . . H24A H 0.2894 0.5669 0.2419 0.106 Uiso 1 1 calc R . . C25 C 0.3708(12) 0.5770(12) 0.3124(7) 0.057(5) Uani 1 1 d . . . H25A H 0.3519 0.5310 0.3306 0.069 Uiso 1 1 calc R . . N2 N -0.0350(8) 0.8019(8) 0.4397(6) 0.042(3) Uani 1 1 d . . . O18 O -0.0384(7) 0.7194(6) 0.4536(5) 0.057(3) Uani 1 1 d . . . C26 C 0.0056(11) 0.8259(13) 0.4007(8) 0.061(5) Uani 1 1 d . . . H26A H 0.0312 0.7850 0.3823 0.073 Uiso 1 1 calc R . . C27 C 0.0096(14) 0.9107(13) 0.3876(8) 0.071(6) Uani 1 1 d . . . H27A H 0.0416 0.9275 0.3622 0.085 Uiso 1 1 calc R . . C28 C -0.0311(13) 0.9696(12) 0.4104(10) 0.072(6) Uani 1 1 d . . . H28A H -0.0309 1.0267 0.3992 0.086 Uiso 1 1 calc R . . C29 C -0.0726(12) 0.9456(12) 0.4499(10) 0.072(6) Uani 1 1 d . . . H29A H -0.0995 0.9864 0.4675 0.086 Uiso 1 1 calc R . . C30 C -0.0748(11) 0.8607(11) 0.4641(8) 0.057(5) Uani 1 1 d . . . H30A H -0.1043 0.8438 0.4908 0.069 Uiso 1 1 calc R . . N3 N 0.0547(8) 0.6798(8) 0.6402(6) 0.043(3) Uani 1 1 d . . . O19 O 0.0200(6) 0.6441(7) 0.5908(4) 0.042(3) Uani 1 1 d . . . C31 C 0.0189(11) 0.7486(11) 0.6571(8) 0.056(5) Uani 1 1 d . . . H31A H -0.0294 0.7698 0.6351 0.067 Uiso 1 1 calc R . . C32 C 0.0512(12) 0.7881(15) 0.7057(9) 0.076(7) Uani 1 1 d . . . H32A H 0.0262 0.8367 0.7169 0.091 Uiso 1 1 calc R . . C33 C 0.1233(17) 0.755(2) 0.7389(9) 0.113(11) Uani 1 1 d . . . H33A H 0.1455 0.7787 0.7734 0.135 Uiso 1 1 calc R . . C34 C 0.1593(15) 0.6876(18) 0.7199(10) 0.098(9) Uani 1 1 d . . . H34A H 0.2094 0.6675 0.7402 0.118 Uiso 1 1 calc R . . C35 C 0.1232(11) 0.6467(13) 0.6698(8) 0.067(5) Uani 1 1 d . . . H35A H 0.1468 0.5977 0.6578 0.080 Uiso 1 1 calc R . . O20 O 0.5247(10) 0.7378(14) 0.5091(12) 0.067(9) Uani 0.50 1 d P . . N4 N 0.5169(12) 0.8124(11) 0.5251(8) 0.037(6) Uiso 0.50 1 d PG A 1 C36 C 0.5303(17) 0.8614(18) 0.4822(8) 0.094(15) Uiso 0.50 1 d PG A 1 H36A H 0.5408 0.8347 0.4489 0.112 Uiso 0.50 1 d PR A 1 C37 C 0.529(2) 0.9479(17) 0.4862(12) 0.13(2) Uiso 0.50 1 d PG . 1 H37A H 0.5385 0.9828 0.4557 0.158 Uiso 0.50 1 d PR A 1 C38 C 0.514(2) 0.9854(11) 0.5330(14) 0.12(2) Uiso 0.50 1 d PG . 1 H38A H 0.5133 1.0469 0.5358 0.144 Uiso 0.50 1 d PR A 1 C39 C 0.5009(17) 0.9364(14) 0.5759(11) 0.079(12) Uiso 0.50 1 d PG A 1 H39A H 0.4904 0.9631 0.6092 0.095 Uiso 0.50 1 d PR A 1 C40 C 0.5022(13) 0.8499(13) 0.5719(7) 0.040(7) Uiso 0.50 1 d PG A 1 H40A H 0.4927 0.8150 0.6024 0.048 Uiso 0.50 1 d PR A 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 0.0430(7) 0.0335(6) 0.0472(7) -0.0027(5) 0.0054(5) 0.0049(5) Ag2 0.0378(6) 0.0419(7) 0.0396(7) 0.0123(5) 0.0117(5) 0.0008(5) Ag3 0.0428(7) 0.0320(6) 0.0688(9) -0.0074(6) -0.0126(6) 0.0032(5) Ag4 0.0471(8) 0.0500(8) 0.0788(10) 0.0187(7) -0.0161(7) -0.0115(6) Ag5 0.0303(6) 0.0384(6) 0.0333(6) 0.0068(5) 0.0098(5) 0.0004(5) Ag6 0.0453(7) 0.0333(6) 0.0470(7) -0.0106(5) 0.0104(6) -0.0005(5) Ag7 0.0409(7) 0.0257(6) 0.0517(7) 0.0110(5) 0.0066(5) 0.0025(5) Ag8 0.0459(7) 0.0445(7) 0.0542(8) 0.0066(6) 0.0101(6) -0.0012(6) Ag9 0.0362(6) 0.0377(6) 0.0484(7) -0.0162(5) 0.0119(5) -0.0019(5) Ag10 0.0521(8) 0.0296(6) 0.0616(8) -0.0137(6) 0.0132(6) -0.0111(5) Ag11 0.0432(7) 0.0403(7) 0.0436(7) 0.0054(5) 0.0107(5) 0.0026(5) Ag12 0.0298(6) 0.0372(6) 0.0429(7) -0.0089(5) 0.0115(5) -0.0016(5) C1 0.021(7) 0.028(7) 0.046(9) -0.004(7) 0.007(6) 0.000(6) C2 0.031(7) 0.027(7) 0.027(7) -0.002(6) 0.002(6) 0.007(6) C3 0.036(8) 0.033(8) 0.043(9) -0.017(7) 0.008(7) 0.006(6) C4 0.030(7) 0.031(8) 0.034(8) -0.004(6) 0.004(6) 0.002(6) O1 0.058(7) 0.049(7) 0.049(7) -0.010(6) -0.007(6) 0.008(6) O2 0.100(11) 0.077(9) 0.033(6) 0.003(6) 0.021(7) 0.037(8) C5 0.046(10) 0.063(12) 0.034(9) 0.002(8) -0.004(8) -0.011(9) C6 0.101(18) 0.067(14) 0.052(13) -0.004(11) -0.020(13) 0.008(13) F11 0.166(19) 0.29(3) 0.115(15) -0.019(17) -0.043(14) -0.12(2) F12 0.26(3) 0.30(3) 0.071(10) -0.097(15) -0.045(13) 0.19(2) F13 0.35(3) 0.128(15) 0.048(8) 0.028(9) -0.033(13) -0.019(18) O3 0.057(8) 0.033(6) 0.082(9) 0.004(6) 0.025(7) -0.003(6) O4 0.050(8) 0.025(6) 0.113(11) -0.019(6) 0.018(7) 0.000(5) C7 0.038(9) 0.026(8) 0.055(10) -0.009(7) 0.014(8) -0.001(7) C8 0.085(16) 0.031(10) 0.102(17) -0.024(11) 0.029(14) -0.011(10) F21 0.39(3) 0.035(7) 0.107(12) 0.011(8) 0.058(16) -0.009(13) F22 0.174(17) 0.058(9) 0.39(3) -0.097(14) 0.18(2) -0.031(10) F23 0.178(18) 0.082(11) 0.168(17) -0.052(11) -0.002(14) -0.042(11) O5 0.047(7) 0.032(6) 0.104(10) 0.027(6) 0.002(7) -0.003(5) O6 0.070(9) 0.036(7) 0.111(11) -0.002(7) 0.033(8) -0.006(6) C9 0.045(10) 0.030(8) 0.053(10) 0.001(7) -0.008(8) 0.000(8) C10 0.073(14) 0.043(11) 0.076(14) 0.029(11) -0.015(12) 0.017(10) F31 0.28(3) 0.041(8) 0.150(16) -0.027(9) 0.011(16) -0.010(11) F32 0.126(13) 0.067(9) 0.22(2) 0.078(11) 0.057(13) 0.004(8) F33 0.096(11) 0.094(11) 0.174(16) 0.043(10) -0.027(11) 0.023(8) O7 0.051(7) 0.068(8) 0.043(7) 0.017(6) 0.013(5) -0.014(6) O8 0.049(7) 0.076(9) 0.034(6) 0.008(6) -0.001(5) 0.001(6) C11 0.049(11) 0.061(11) 0.043(10) 0.017(9) 0.007(8) 0.010(9) C12 0.029(11) 0.25(4) 0.054(14) 0.07(2) -0.007(10) 0.012(16) F41 0.38(5) 0.31(4) 0.13(2) 0.10(2) -0.17(3) -0.22(4) F42 0.096(14) 0.45(5) 0.16(2) 0.17(3) 0.017(14) 0.11(2) F43 0.081(9) 0.222(19) 0.084(10) 0.095(12) 0.004(8) -0.004(10) O9 0.028(6) 0.082(9) 0.066(8) -0.023(7) -0.002(6) 0.000(6) O10 0.049(7) 0.057(7) 0.058(7) -0.027(6) 0.011(6) 0.003(6) C13 0.046(10) 0.052(10) 0.029(8) -0.017(7) -0.003(7) -0.016(8) C14 0.036(11) 0.104(18) 0.110(19) -0.081(16) 0.005(12) -0.015(12) F51 0.35(4) 0.30(3) 0.122(16) -0.009(19) -0.03(2) -0.27(4) F52 0.090(12) 0.34(4) 0.26(3) -0.22(3) -0.099(16) 0.085(19) F53 0.095(11) 0.28(3) 0.099(11) -0.123(15) 0.003(9) -0.016(13) O11 0.034(6) 0.035(6) 0.087(9) -0.011(6) -0.009(6) 0.001(5) O12 0.053(7) 0.027(6) 0.090(9) -0.001(6) -0.001(7) 0.001(5) C15 0.039(9) 0.029(8) 0.060(11) -0.001(7) 0.015(8) -0.008(7) C16 0.038(10) 0.025(9) 0.111(17) -0.016(10) 0.005(11) 0.002(7) F61 0.191(19) 0.052(9) 0.36(3) -0.057(14) -0.19(2) 0.063(11) F62 0.122(14) 0.040(8) 0.37(3) 0.014(13) 0.056(17) 0.008(9) F63 0.38(4) 0.17(2) 0.27(3) 0.05(2) 0.20(3) 0.20(3) O13 0.046(7) 0.030(6) 0.091(9) 0.016(6) -0.007(6) -0.006(5) O14 0.032(6) 0.039(6) 0.077(8) 0.018(6) 0.003(6) -0.004(5) C17 0.046(10) 0.035(9) 0.049(10) 0.012(7) 0.024(8) 0.003(7) C18 0.058(12) 0.045(11) 0.102(17) 0.016(11) 0.025(12) -0.017(10) F71 0.23(2) 0.084(12) 0.31(3) 0.025(15) 0.20(2) -0.042(13) F72 0.21(2) 0.109(14) 0.183(19) 0.008(13) -0.055(18) -0.099(15) F73 0.094(11) 0.041(8) 0.34(3) 0.058(12) -0.022(14) -0.012(7) O15 0.116(12) 0.069(9) 0.043(7) -0.019(6) 0.037(8) -0.041(8) O16 0.061(8) 0.060(8) 0.041(7) -0.009(6) -0.003(6) -0.012(6) C19 0.037(9) 0.066(12) 0.054(11) 0.000(10) 0.015(8) 0.004(9) C20 0.072(14) 0.079(14) 0.038(11) -0.006(10) 0.010(10) 0.011(11) F81 0.22(2) 0.29(3) 0.058(10) 0.038(14) -0.025(12) -0.12(2) F82 0.125(15) 0.31(3) 0.103(13) -0.038(16) -0.024(12) 0.088(19) F83 0.28(3) 0.141(16) 0.074(10) -0.047(11) -0.042(13) 0.086(17) N1 0.038(7) 0.041(7) 0.043(8) 0.013(6) 0.008(6) 0.005(6) O17 0.039(6) 0.060(7) 0.041(6) 0.004(5) 0.002(5) 0.005(5) C21 0.038(10) 0.063(12) 0.094(15) 0.028(11) 0.010(10) -0.011(9) C22 0.072(14) 0.106(18) 0.070(14) 0.072(14) 0.020(12) 0.016(13) C23 0.076(16) 0.14(2) 0.053(13) 0.036(14) -0.025(12) -0.005(16) C24 0.077(15) 0.099(18) 0.074(15) 0.039(13) -0.017(12) -0.042(13) C25 0.069(12) 0.056(11) 0.045(10) 0.017(9) 0.008(9) -0.008(10) N2 0.031(7) 0.034(7) 0.057(9) 0.006(6) -0.002(6) 0.002(6) O18 0.045(7) 0.024(6) 0.093(9) 0.014(6) -0.008(6) 0.003(5) C26 0.048(11) 0.071(13) 0.064(12) -0.002(10) 0.016(10) 0.010(9) C27 0.093(16) 0.060(13) 0.060(12) 0.011(10) 0.018(11) 0.008(12) C28 0.069(14) 0.034(10) 0.108(18) 0.007(11) 0.010(13) -0.008(10) C29 0.063(13) 0.038(11) 0.112(18) -0.016(11) 0.011(12) 0.012(9) C30 0.064(12) 0.036(10) 0.076(13) 0.000(9) 0.026(10) -0.006(9) N3 0.049(8) 0.033(7) 0.053(8) -0.006(6) 0.024(7) -0.002(6) O19 0.042(6) 0.055(7) 0.029(5) -0.016(5) 0.009(5) -0.001(5) C31 0.044(10) 0.044(10) 0.078(13) -0.031(9) 0.009(9) -0.006(8) C32 0.058(12) 0.089(16) 0.084(15) -0.054(13) 0.023(12) -0.013(11) C33 0.11(2) 0.17(3) 0.053(14) -0.068(17) -0.004(14) -0.02(2) C34 0.086(17) 0.11(2) 0.075(16) -0.031(15) -0.033(13) 0.023(15) C35 0.055(12) 0.067(13) 0.074(14) -0.005(10) 0.002(10) 0.022(10) O20 0.002(9) 0.051(14) 0.14(2) -0.068(15) 0.001(11) -0.004(8) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 O18 2.262(10) . ? Ag1 O12 2.366(11) . ? Ag1 O19 2.408(10) . ? Ag1 C2 2.476(13) . ? Ag1 Ag2 2.9449(17) . ? Ag1 Ag5 3.0335(16) 3_566 ? Ag1 Ag5 3.0481(16) . ? Ag2 C2 2.166(13) . ? Ag2 O8 2.267(11) 3_566 ? Ag2 O14 2.312(10) . ? Ag2 Ag5 2.8051(15) 3_566 ? Ag2 Ag4 2.9563(18) . ? Ag3 C1 2.202(13) . ? Ag3 O1 2.243(11) . ? Ag3 O12 2.469(11) . ? Ag3 Ag7 2.8955(16) . ? Ag3 Ag11 2.9521(17) . ? Ag3 Ag9 2.9910(17) . ? Ag4 C4 2.228(13) . ? Ag4 O16 2.254(11) 3_566 ? Ag4 O13 2.449(11) . ? Ag4 Ag10 2.8843(19) . ? Ag4 Ag6 3.0070(18) . ? Ag5 O7 2.284(11) . ? Ag5 C2 2.307(13) 3_566 ? Ag5 C1 2.401(14) . ? Ag5 O19 2.586(10) . ? Ag5 Ag2 2.8051(15) 3_566 ? Ag5 Ag5 2.874(2) 3_566 ? Ag5 Ag1 3.0335(16) 3_566 ? Ag5 Ag7 3.1615(16) . ? Ag6 O3 2.292(11) . ? Ag6 O15 2.305(12) 3_566 ? Ag6 C2 2.441(13) . ? Ag6 C1 2.464(14) . ? Ag6 O19 2.513(10) 3_566 ? Ag6 Ag7 2.9232(17) . ? Ag6 Ag10 3.1876(18) . ? Ag7 C1 2.140(14) . ? Ag7 O5 2.160(11) . ? Ag7 Ag11 3.2226(17) . ? Ag8 O20 2.193(17) . ? Ag8 O13 2.356(11) . ? Ag8 C3 2.427(16) . ? Ag8 O17 2.443(11) . ? Ag8 Ag9 2.9482(18) . ? Ag8 Ag12 3.0330(17) 3_666 ? Ag8 Ag12 3.1211(17) . ? Ag9 C3 2.163(13) . ? Ag9 O9 2.249(11) 3_666 ? Ag9 O11 2.308(11) . ? Ag9 Ag12 2.8462(16) 3_666 ? Ag10 C4 2.135(14) . ? Ag10 O4 2.144(10) . ? Ag10 Ag11 2.9606(18) . ? Ag10 Ag12 3.0807(16) . ? Ag11 O2 2.251(11) . ? Ag11 O6 2.282(12) . ? Ag11 C4 2.446(14) . ? Ag11 C3 2.463(16) . ? Ag11 O17 2.531(10) 3_666 ? Ag12 O10 2.307(11) . ? Ag12 C3 2.316(14) 3_666 ? Ag12 C4 2.372(14) . ? Ag12 O17 2.548(11) . ? Ag12 Ag9 2.8462(16) 3_666 ? Ag12 Ag12 2.932(2) 3_666 ? Ag12 Ag8 3.0330(17) 3_666 ? C1 C2 1.241(19) . ? C2 Ag5 2.307(13) 3_566 ? C3 C4 1.205(19) . ? C3 Ag12 2.316(14) 3_666 ? O1 C5 1.24(2) . ? O2 C5 1.26(2) . ? C5 C6 1.53(2) . ? C6 F12 1.24(3) . ? C6 F13 1.25(3) . ? C6 F11 1.25(3) . ? O3 C7 1.209(18) . ? O4 C7 1.223(18) . ? C7 C8 1.56(2) . ? C8 F22 1.22(2) . ? C8 F21 1.25(3) . ? C8 F23 1.31(3) . ? O5 C9 1.206(19) . ? O6 C9 1.23(2) . ? C9 C10 1.56(2) . ? C10 F31 1.25(3) . ? C10 F33 1.27(2) . ? C10 F32 1.30(3) . ? O7 C11 1.24(2) . ? O8 C11 1.22(2) . ? O8 Ag2 2.267(11) 3_566 ? C11 C12 1.50(2) . ? C12 F43 1.20(3) . ? C12 F42 1.27(3) . ? C12 F41 1.37(5) . ? O9 C13 1.172(19) . ? O9 Ag9 2.249(11) 3_666 ? O10 C13 1.284(19) . ? C13 C14 1.57(2) . ? C14 F52 1.19(3) . ? C14 F51 1.19(3) . ? C14 F53 1.23(2) . ? O11 C15 1.195(18) . ? O12 C15 1.238(18) . ? C15 C16 1.55(2) . ? C16 F61 1.19(2) . ? C16 F62 1.22(2) . ? C16 F63 1.24(3) . ? O13 C17 1.245(18) . ? O14 C17 1.232(18) . ? C17 C18 1.52(2) . ? C18 F72 1.26(3) . ? C18 F71 1.27(2) . ? C18 F73 1.27(2) . ? O15 C19 1.20(2) . ? O15 Ag6 2.305(12) 3_566 ? O16 C19 1.24(2) . ? O16 Ag4 2.254(11) 3_566 ? C19 C20 1.51(3) . ? C20 F82 1.24(2) . ? C20 F81 1.24(3) . ? C20 F83 1.26(2) . ? N1 C21 1.32(2) . ? N1 O17 1.330(15) . ? N1 C25 1.35(2) . ? O17 Ag11 2.531(10) 3_666 ? C21 C22 1.41(3) . ? C22 C23 1.31(3) . ? C23 C24 1.40(3) . ? C24 C25 1.34(2) . ? N2 C26 1.33(2) . ? N2 O18 1.332(16) . ? N2 C30 1.34(2) . ? C26 C27 1.36(3) . ? C27 C28 1.32(3) . ? C28 C29 1.35(3) . ? C29 C30 1.37(3) . ? N3 C35 1.32(2) . ? N3 C31 1.33(2) . ? N3 O19 1.347(16) . ? O19 Ag6 2.513(10) 3_566 ? C31 C32 1.35(2) . ? C32 C33 1.40(3) . ? C33 C34 1.33(3) . ? C34 C35 1.40(3) . ? O20 N4 1.24(2) . ? N4 C36 1.3500 . ? N4 C40 1.3500 . ? C36 C37 1.3500 . ? C37 C38 1.29(5) 3_676 ? C37 C38 1.3500 . ? C38 C37 1.29(5) 3_676 ? C38 C39 1.3500 . ? C38 C38 1.65(7) 3_676 ? C39 C40 1.3500 . ? 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 O18 Ag1 O12 141.3(4) . . ? O18 Ag1 O19 97.0(4) . . ? O12 Ag1 O19 93.1(4) . . ? O18 Ag1 C2 115.2(4) . . ? O12 Ag1 C2 94.0(4) . . ? O19 Ag1 C2 114.1(4) . . ? O18 Ag1 Ag2 81.3(3) . . ? O12 Ag1 Ag2 105.0(3) . . ? O19 Ag1 Ag2 153.2(2) . . ? C2 Ag1 Ag2 46.1(3) . . ? O18 Ag1 Ag5 73.5(3) . 3_566 ? O12 Ag1 Ag5 141.7(3) . 3_566 ? O19 Ag1 Ag5 97.7(2) . 3_566 ? C2 Ag1 Ag5 48.2(3) . 3_566 ? Ag2 Ag1 Ag5 55.94(4) . 3_566 ? O18 Ag1 Ag5 113.1(3) . . ? O12 Ag1 Ag5 103.3(3) . . ? O19 Ag1 Ag5 55.1(3) . . ? C2 Ag1 Ag5 59.5(3) . . ? Ag2 Ag1 Ag5 100.71(5) . . ? Ag5 Ag1 Ag5 56.41(4) 3_566 . ? C2 Ag2 O8 138.2(5) . 3_566 ? C2 Ag2 O14 127.1(5) . . ? O8 Ag2 O14 91.6(4) 3_566 . ? C2 Ag2 Ag5 53.4(4) . 3_566 ? O8 Ag2 Ag5 85.6(3) 3_566 3_566 ? O14 Ag2 Ag5 149.5(3) . 3_566 ? C2 Ag2 Ag1 55.4(3) . . ? O8 Ag2 Ag1 117.2(3) 3_566 . ? O14 Ag2 Ag1 91.3(3) . . ? Ag5 Ag2 Ag1 63.63(4) 3_566 . ? C2 Ag2 Ag4 65.1(4) . . ? O8 Ag2 Ag4 142.4(3) 3_566 . ? O14 Ag2 Ag4 85.9(3) . . ? Ag5 Ag2 Ag4 114.22(5) 3_566 . ? Ag1 Ag2 Ag4 100.35(5) . . ? C1 Ag3 O1 154.5(5) . . ? C1 Ag3 O12 96.5(4) . . ? O1 Ag3 O12 95.0(4) . . ? C1 Ag3 Ag7 47.3(4) . . ? O1 Ag3 Ag7 114.4(3) . . ? O12 Ag3 Ag7 142.1(3) . . ? C1 Ag3 Ag11 100.9(3) . . ? O1 Ag3 Ag11 82.2(3) . . ? O12 Ag3 Ag11 144.4(3) . . ? Ag7 Ag3 Ag11 66.88(4) . . ? C1 Ag3 Ag9 141.9(4) . . ? O1 Ag3 Ag9 63.5(3) . . ? O12 Ag3 Ag9 73.3(3) . . ? Ag7 Ag3 Ag9 140.42(6) . . ? Ag11 Ag3 Ag9 73.89(4) . . ? C4 Ag4 O16 152.2(5) . 3_566 ? C4 Ag4 O13 96.7(4) . . ? O16 Ag4 O13 93.9(4) 3_566 . ? C4 Ag4 Ag10 47.3(4) . . ? O16 Ag4 Ag10 113.7(3) 3_566 . ? O13 Ag4 Ag10 142.0(3) . . ? C4 Ag4 Ag2 145.9(4) . . ? O16 Ag4 Ag2 61.8(3) 3_566 . ? O13 Ag4 Ag2 75.2(3) . . ? Ag10 Ag4 Ag2 140.34(6) . . ? C4 Ag4 Ag6 101.1(4) . . ? O16 Ag4 Ag6 82.6(3) 3_566 . ? O13 Ag4 Ag6 147.7(3) . . ? Ag10 Ag4 Ag6 65.47(4) . . ? Ag2 Ag4 Ag6 74.98(5) . . ? O7 Ag5 C2 128.5(4) . 3_566 ? O7 Ag5 C1 91.8(4) . . ? C2 Ag5 C1 135.1(5) 3_566 . ? O7 Ag5 O19 95.8(4) . . ? C2 Ag5 O19 88.5(4) 3_566 . ? C1 Ag5 O19 108.5(4) . . ? O7 Ag5 Ag2 80.1(3) . 3_566 ? C2 Ag5 Ag2 49.0(3) 3_566 3_566 ? C1 Ag5 Ag2 149.7(3) . 3_566 ? O19 Ag5 Ag2 101.4(2) . 3_566 ? O7 Ag5 Ag5 161.9(3) . 3_566 ? C2 Ag5 Ag5 64.0(3) 3_566 3_566 ? C1 Ag5 Ag5 72.5(3) . 3_566 ? O19 Ag5 Ag5 97.8(2) . 3_566 ? Ag2 Ag5 Ag5 108.70(6) 3_566 3_566 ? O7 Ag5 Ag1 112.5(3) . 3_566 ? C2 Ag5 Ag1 53.1(3) 3_566 3_566 ? C1 Ag5 Ag1 97.2(3) . 3_566 ? O19 Ag5 Ag1 141.0(2) . 3_566 ? Ag2 Ag5 Ag1 60.43(4) 3_566 3_566 ? Ag5 Ag5 Ag1 62.05(5) 3_566 3_566 ? O7 Ag5 Ag1 121.0(3) . . ? C2 Ag5 Ag1 100.6(3) 3_566 . ? C1 Ag5 Ag1 66.0(3) . . ? O19 Ag5 Ag1 49.8(2) . . ? Ag2 Ag5 Ag1 142.51(5) 3_566 . ? Ag5 Ag5 Ag1 61.54(4) 3_566 . ? Ag1 Ag5 Ag1 123.59(4) 3_566 . ? O7 Ag5 Ag7 60.0(3) . . ? C2 Ag5 Ag7 137.5(3) 3_566 . ? C1 Ag5 Ag7 42.6(3) . . ? O19 Ag5 Ag7 134.1(2) . . ? Ag2 Ag5 Ag7 110.63(5) 3_566 . ? Ag5 Ag5 Ag7 101.85(6) 3_566 . ? Ag1 Ag5 Ag7 84.46(4) 3_566 . ? Ag1 Ag5 Ag7 106.85(4) . . ? O3 Ag6 O15 92.5(5) . 3_566 ? O3 Ag6 C2 159.8(4) . . ? O15 Ag6 C2 107.7(5) 3_566 . ? O3 Ag6 C1 131.1(5) . . ? O15 Ag6 C1 134.3(5) 3_566 . ? C2 Ag6 C1 29.3(4) . . ? O3 Ag6 O19 96.0(4) . 3_566 ? O15 Ag6 O19 85.5(4) 3_566 3_566 ? C2 Ag6 O19 87.3(4) . 3_566 ? C1 Ag6 O19 100.6(4) . 3_566 ? O3 Ag6 Ag7 85.3(3) . . ? O15 Ag6 Ag7 166.8(4) 3_566 . ? C2 Ag6 Ag7 74.7(3) . . ? C1 Ag6 Ag7 45.8(3) . . ? O19 Ag6 Ag7 107.7(2) 3_566 . ? O3 Ag6 Ag4 124.8(3) . . ? O15 Ag6 Ag4 75.1(3) 3_566 . ? C2 Ag6 Ag4 61.7(3) . . ? C1 Ag6 Ag4 68.7(3) . . ? O19 Ag6 Ag4 134.8(3) 3_566 . ? Ag7 Ag6 Ag4 95.47(5) . . ? O3 Ag6 Ag10 72.3(3) . . ? O15 Ag6 Ag10 92.7(4) 3_566 . ? C2 Ag6 Ag10 104.6(3) . . ? C1 Ag6 Ag10 89.2(3) . . ? O19 Ag6 Ag10 168.0(2) 3_566 . ? Ag7 Ag6 Ag10 74.21(4) . . ? Ag4 Ag6 Ag10 55.41(4) . . ? C1 Ag7 O5 168.7(5) . . ? C1 Ag7 Ag3 49.1(4) . . ? O5 Ag7 Ag3 129.4(3) . . ? C1 Ag7 Ag6 55.7(4) . . ? O5 Ag7 Ag6 117.3(4) . . ? Ag3 Ag7 Ag6 96.85(5) . . ? C1 Ag7 Ag5 49.4(4) . . ? O5 Ag7 Ag5 141.8(4) . . ? Ag3 Ag7 Ag5 71.35(4) . . ? Ag6 Ag7 Ag5 85.74(4) . . ? C1 Ag7 Ag11 94.4(4) . . ? O5 Ag7 Ag11 78.2(3) . . ? Ag3 Ag7 Ag11 57.40(4) . . ? Ag6 Ag7 Ag11 103.14(5) . . ? Ag5 Ag7 Ag11 128.58(5) . . ? O20 Ag8 O13 137.8(7) . . ? O20 Ag8 C3 120.8(9) . . ? O13 Ag8 C3 92.6(4) . . ? O20 Ag8 O17 98.0(7) . . ? O13 Ag8 O17 91.4(4) . . ? C3 Ag8 O17 111.8(4) . . ? O20 Ag8 Ag9 85.8(8) . . ? O13 Ag8 Ag9 103.7(3) . . ? C3 Ag8 Ag9 46.2(3) . . ? O17 Ag8 Ag9 152.9(3) . . ? O20 Ag8 Ag12 78.7(7) . 3_666 ? O13 Ag8 Ag12 140.8(3) . 3_666 ? C3 Ag8 Ag12 48.7(3) . 3_666 ? O17 Ag8 Ag12 97.5(2) . 3_666 ? Ag9 Ag8 Ag12 56.81(4) . 3_666 ? O20 Ag8 Ag12 116.5(5) . . ? O13 Ag8 Ag12 102.0(3) . . ? C3 Ag8 Ag12 59.8(3) . . ? O17 Ag8 Ag12 52.8(3) . . ? Ag9 Ag8 Ag12 101.47(5) . . ? Ag12 Ag8 Ag12 56.88(4) 3_666 . ? C3 Ag9 O9 138.4(5) . 3_666 ? C3 Ag9 O11 127.5(5) . . ? O9 Ag9 O11 91.4(4) 3_666 . ? C3 Ag9 Ag12 53.0(4) . 3_666 ? O9 Ag9 Ag12 85.9(3) 3_666 3_666 ? O11 Ag9 Ag12 152.5(3) . 3_666 ? C3 Ag9 Ag8 54.1(4) . . ? O9 Ag9 Ag8 116.8(3) 3_666 . ? O11 Ag9 Ag8 94.4(3) . . ? Ag12 Ag9 Ag8 63.10(4) 3_666 . ? C3 Ag9 Ag3 66.1(4) . . ? O9 Ag9 Ag3 140.8(3) 3_666 . ? O11 Ag9 Ag3 85.5(3) . . ? Ag12 Ag9 Ag3 113.40(5) 3_666 . ? Ag8 Ag9 Ag3 102.33(5) . . ? C4 Ag10 O4 177.2(5) . . ? C4 Ag10 Ag4 50.0(4) . . ? O4 Ag10 Ag4 131.1(3) . . ? C4 Ag10 Ag11 54.5(4) . . ? O4 Ag10 Ag11 122.9(4) . . ? Ag4 Ag10 Ag11 95.25(5) . . ? C4 Ag10 Ag12 50.2(4) . . ? O4 Ag10 Ag12 132.0(3) . . ? Ag4 Ag10 Ag12 72.51(4) . . ? Ag11 Ag10 Ag12 87.11(4) . . ? C4 Ag10 Ag6 97.9(4) . . ? O4 Ag10 Ag6 81.6(3) . . ? Ag4 Ag10 Ag6 59.12(4) . . ? Ag11 Ag10 Ag6 103.13(5) . . ? Ag12 Ag10 Ag6 131.09(5) . . ? O2 Ag11 O6 98.9(5) . . ? O2 Ag11 C4 137.8(5) . . ? O6 Ag11 C4 122.8(5) . . ? O2 Ag11 C3 110.9(5) . . ? O6 Ag11 C3 150.0(5) . . ? C4 Ag11 C3 28.4(4) . . ? O2 Ag11 O17 84.9(4) . 3_666 ? O6 Ag11 O17 91.3(4) . 3_666 ? C4 Ag11 O17 98.8(4) . 3_666 ? C3 Ag11 O17 88.3(4) . 3_666 ? O2 Ag11 Ag3 77.6(3) . . ? O6 Ag11 Ag3 128.5(3) . . ? C4 Ag11 Ag3 72.0(3) . . ? C3 Ag11 Ag3 63.9(3) . . ? O17 Ag11 Ag3 138.2(3) 3_666 . ? O2 Ag11 Ag10 168.8(4) . . ? O6 Ag11 Ag10 77.7(4) . . ? C4 Ag11 Ag10 45.3(3) . . ? C3 Ag11 Ag10 73.6(3) . . ? O17 Ag11 Ag10 105.8(2) 3_666 . ? Ag3 Ag11 Ag10 96.00(5) . . ? O2 Ag11 Ag7 95.6(4) . . ? O6 Ag11 Ag7 74.0(3) . . ? C4 Ag11 Ag7 90.8(3) . . ? C3 Ag11 Ag7 105.2(3) . . ? O17 Ag11 Ag7 165.2(3) 3_666 . ? Ag3 Ag11 Ag7 55.72(4) . . ? Ag10 Ag11 Ag7 73.20(4) . . ? O10 Ag12 C3 126.8(4) . 3_666 ? O10 Ag12 C4 95.6(4) . . ? C3 Ag12 C4 131.9(5) 3_666 . ? O10 Ag12 O17 96.1(4) . . ? C3 Ag12 O17 91.2(5) 3_666 . ? C4 Ag12 O17 107.3(4) . . ? O10 Ag12 Ag9 78.9(3) . 3_666 ? C3 Ag12 Ag9 48.2(3) 3_666 3_666 ? C4 Ag12 Ag9 150.3(3) . 3_666 ? O17 Ag12 Ag9 102.4(2) . 3_666 ? O10 Ag12 Ag12 162.2(3) . 3_666 ? C3 Ag12 Ag12 64.1(3) 3_666 3_666 ? C4 Ag12 Ag12 69.6(3) . 3_666 ? O17 Ag12 Ag12 97.7(2) . 3_666 ? Ag9 Ag12 Ag12 108.87(6) 3_666 3_666 ? O10 Ag12 Ag8 110.6(3) . 3_666 ? C3 Ag12 Ag8 51.9(4) 3_666 3_666 ? C4 Ag12 Ag8 96.0(3) . 3_666 ? O17 Ag12 Ag8 142.5(2) . 3_666 ? Ag9 Ag12 Ag8 60.09(4) 3_666 3_666 ? Ag12 Ag12 Ag8 63.08(5) 3_666 3_666 ? O10 Ag12 Ag10 61.4(3) . . ? C3 Ag12 Ag10 135.6(4) 3_666 . ? C4 Ag12 Ag10 43.7(3) . . ? O17 Ag12 Ag10 133.1(2) . . ? Ag9 Ag12 Ag10 111.50(5) 3_666 . ? Ag12 Ag12 Ag10 100.81(6) 3_666 . ? Ag8 Ag12 Ag10 83.75(5) 3_666 . ? O10 Ag12 Ag8 123.5(3) . . ? C3 Ag12 Ag8 100.9(3) 3_666 . ? C4 Ag12 Ag8 64.5(3) . . ? O17 Ag12 Ag8 49.8(2) . . ? Ag9 Ag12 Ag8 142.02(5) 3_666 . ? Ag12 Ag12 Ag8 60.05(4) 3_666 . ? Ag8 Ag12 Ag8 123.12(4) 3_666 . ? Ag10 Ag12 Ag8 106.38(5) . . ? C2 C1 Ag7 150.7(11) . . ? C2 C1 Ag3 124.3(11) . . ? Ag7 C1 Ag3 83.7(5) . . ? C2 C1 Ag5 94.4(9) . . ? Ag7 C1 Ag5 88.0(5) . . ? Ag3 C1 Ag5 100.4(6) . . ? C2 C1 Ag6 74.3(9) . . ? Ag7 C1 Ag6 78.5(4) . . ? Ag3 C1 Ag6 137.7(6) . . ? Ag5 C1 Ag6 116.8(5) . . ? C1 C2 Ag2 160.5(12) . . ? C1 C2 Ag5 121.9(11) . 3_566 ? Ag2 C2 Ag5 77.6(4) . 3_566 ? C1 C2 Ag6 76.4(9) . . ? Ag2 C2 Ag6 103.8(5) . . ? Ag5 C2 Ag6 96.2(5) 3_566 . ? C1 C2 Ag1 103.5(10) . . ? Ag2 C2 Ag1 78.4(4) . . ? Ag5 C2 Ag1 78.7(4) 3_566 . ? Ag6 C2 Ag1 173.9(6) . . ? C4 C3 Ag9 163.4(12) . . ? C4 C3 Ag12 117.2(11) . 3_666 ? Ag9 C3 Ag12 78.8(5) . 3_666 ? C4 C3 Ag8 106.5(11) . . ? Ag9 C3 Ag8 79.7(5) . . ? Ag12 C3 Ag8 79.5(5) 3_666 . ? C4 C3 Ag11 75.0(10) . . ? Ag9 C3 Ag11 100.9(6) . . ? Ag12 C3 Ag11 93.5(5) 3_666 . ? Ag8 C3 Ag11 172.7(7) . . ? C3 C4 Ag10 155.8(13) . . ? C3 C4 Ag4 118.8(11) . . ? Ag10 C4 Ag4 82.7(5) . . ? C3 C4 Ag12 99.5(11) . . ? Ag10 C4 Ag12 86.1(5) . . ? Ag4 C4 Ag12 100.2(5) . . ? C3 C4 Ag11 76.6(10) . . ? Ag10 C4 Ag11 80.2(5) . . ? Ag4 C4 Ag11 135.0(6) . . ? Ag12 C4 Ag11 119.6(6) . . ? C5 O1 Ag3 121.0(11) . . ? C5 O2 Ag11 125.7(11) . . ? O1 C5 O2 128.0(15) . . ? O1 C5 C6 118.3(18) . . ? O2 C5 C6 113.7(16) . . ? F12 C6 F13 108(3) . . ? F12 C6 F11 106(3) . . ? F13 C6 F11 104(2) . . ? F12 C6 C5 112.0(19) . . ? F13 C6 C5 114.6(19) . . ? F11 C6 C5 111(2) . . ? C7 O3 Ag6 127.5(10) . . ? C7 O4 Ag10 122.6(10) . . ? O3 C7 O4 131.8(14) . . ? O3 C7 C8 114.4(15) . . ? O4 C7 C8 113.7(15) . . ? F22 C8 F21 113(2) . . ? F22 C8 F23 103(2) . . ? F21 C8 F23 100(2) . . ? F22 C8 C7 115.1(18) . . ? F21 C8 C7 111.6(18) . . ? F23 C8 C7 112.5(18) . . ? C9 O5 Ag7 126.7(11) . . ? C9 O6 Ag11 125.5(11) . . ? O5 C9 O6 130.6(15) . . ? O5 C9 C10 115.6(16) . . ? O6 C9 C10 113.7(16) . . ? F31 C10 F33 110(2) . . ? F31 C10 F32 104(2) . . ? F33 C10 F32 107.3(18) . . ? F31 C10 C9 110.1(16) . . ? F33 C10 C9 113.7(18) . . ? F32 C10 C9 111.5(18) . . ? C11 O7 Ag5 124.5(11) . . ? C11 O8 Ag2 119.0(10) . 3_566 ? O8 C11 O7 130.9(16) . . ? O8 C11 C12 113.8(16) . . ? O7 C11 C12 115.3(17) . . ? F43 C12 F42 110(3) . . ? F43 C12 F41 104(3) . . ? F42 C12 F41 96(3) . . ? F43 C12 C11 123(2) . . ? F42 C12 C11 113(2) . . ? F41 C12 C11 108(3) . . ? C13 O9 Ag9 120.0(10) . 3_666 ? C13 O10 Ag12 123.7(10) . . ? O9 C13 O10 131.5(14) . . ? O9 C13 C14 118.3(15) . . ? O10 C13 C14 110.1(15) . . ? F52 C14 F51 102(3) . . ? F52 C14 F53 106(3) . . ? F51 C14 F53 105(3) . . ? F52 C14 C13 116(2) . . ? F51 C14 C13 113(3) . . ? F53 C14 C13 114.1(18) . . ? C15 O11 Ag9 119.2(10) . . ? C15 O12 Ag1 138.7(10) . . ? C15 O12 Ag3 126.2(10) . . ? Ag1 O12 Ag3 94.8(4) . . ? O11 C15 O12 129.1(15) . . ? O11 C15 C16 118.0(14) . . ? O12 C15 C16 112.9(14) . . ? F61 C16 F62 107(2) . . ? F61 C16 F63 105(2) . . ? F62 C16 F63 101(2) . . ? F61 C16 C15 117.2(16) . . ? F62 C16 C15 115.3(16) . . ? F63 C16 C15 110.2(19) . . ? C17 O13 Ag8 138.0(10) . . ? C17 O13 Ag4 126.9(10) . . ? Ag8 O13 Ag4 95.1(4) . . ? C17 O14 Ag2 119.7(9) . . ? O14 C17 O13 128.1(15) . . ? O14 C17 C18 117.0(15) . . ? O13 C17 C18 114.8(15) . . ? F72 C18 F71 100(2) . . ? F72 C18 F73 111(2) . . ? F71 C18 F73 106(2) . . ? F72 C18 C17 112.1(18) . . ? F71 C18 C17 111.9(19) . . ? F73 C18 C17 114.3(17) . . ? C19 O15 Ag6 126.7(12) . 3_566 ? C19 O16 Ag4 118.4(12) . 3_566 ? O15 C19 O16 130.7(17) . . ? O15 C19 C20 112.6(18) . . ? O16 C19 C20 115.9(18) . . ? F82 C20 F81 100(2) . . ? F82 C20 F83 107(2) . . ? F81 C20 F83 101(2) . . ? F82 C20 C19 116.0(18) . . ? F81 C20 C19 116(2) . . ? F83 C20 C19 114.7(19) . . ? C21 N1 O17 118.1(14) . . ? C21 N1 C25 123.5(15) . . ? O17 N1 C25 118.3(13) . . ? N1 O17 Ag8 126.4(8) . . ? N1 O17 Ag11 118.5(8) . 3_666 ? Ag8 O17 Ag11 107.0(4) . 3_666 ? N1 O17 Ag12 129.3(9) . . ? Ag8 O17 Ag12 77.4(3) . . ? Ag11 O17 Ag12 86.6(3) 3_666 . ? N1 C21 C22 117.3(18) . . ? C23 C22 C21 122.1(19) . . ? C22 C23 C24 117.4(19) . . ? C25 C24 C23 122.1(19) . . ? C24 C25 N1 117.5(17) . . ? C26 N2 O18 120.6(15) . . ? C26 N2 C30 119.6(15) . . ? O18 N2 C30 119.8(14) . . ? N2 O18 Ag1 120.3(8) . . ? N2 C26 C27 119.9(18) . . ? C28 C27 C26 121(2) . . ? C27 C28 C29 119.1(19) . . ? C28 C29 C30 119.5(19) . . ? N2 C30 C29 120.5(18) . . ? C35 N3 C31 122.0(16) . . ? C35 N3 O19 119.6(14) . . ? C31 N3 O19 118.4(14) . . ? N3 O19 Ag1 125.3(8) . . ? N3 O19 Ag6 120.1(8) . 3_566 ? Ag1 O19 Ag6 107.7(4) . 3_566 ? N3 O19 Ag5 128.2(8) . . ? Ag1 O19 Ag5 75.1(3) . . ? Ag6 O19 Ag5 87.8(3) 3_566 . ? N3 C31 C32 121.3(18) . . ? C31 C32 C33 119(2) . . ? C34 C33 C32 118.6(19) . . ? C33 C34 C35 121(2) . . ? N3 C35 C34 118.0(19) . . ? N4 O20 Ag8 124.8(15) . . ? O20 N4 C36 104(2) . . ? O20 N4 C40 136(2) . . ? C36 N4 C40 120.0 . . ? C37 C36 N4 120.0 . . ? C38 C37 C38 77(4) 3_676 . ? C38 C37 C36 142(5) 3_676 . ? C38 C37 C36 120.0 . . ? C37 C38 C39 125(5) 3_676 . ? C37 C38 C37 103(5) 3_676 . ? C39 C38 C37 120.0 . . ? C37 C38 C38 53(2) 3_676 3_676 ? C39 C38 C38 149(3) . 3_676 ? C37 C38 C38 50(3) . 3_676 ? C38 C39 C40 120.0 . . ? C39 C40 N4 120.0 . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 2.482 _refine_diff_density_min -1.205 _refine_diff_density_rms 0.245 #===END data_compound2 _database_code_depnum_ccdc_archive 'CCDC 275846' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C44 H24 Ag12 F24 N4 O20' _chemical_formula_weight 2679.11 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 8.4949(6) _cell_length_b 16.6402(12) _cell_length_c 23.5116(17) _cell_angle_alpha 87.465(2) _cell_angle_beta 82.131(2) _cell_angle_gamma 77.8420(10) _cell_volume 3218.0(4) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.42 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.18 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.765 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2512 _exptl_absorpt_coefficient_mu 3.705 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.030785 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(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 15648 _diffrn_reflns_av_R_equivalents 0.0378 _diffrn_reflns_av_sigmaI/netI 0.0918 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -28 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 1.75 _diffrn_reflns_theta_max 26.00 _reflns_number_total 12568 _reflns_number_gt 7751 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0580P)^2^+0.9157P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 12568 _refine_ls_number_parameters 964 _refine_ls_number_restraints 22 _refine_ls_R_factor_all 0.1141 _refine_ls_R_factor_gt 0.0617 _refine_ls_wR_factor_ref 0.1421 _refine_ls_wR_factor_gt 0.1201 _refine_ls_goodness_of_fit_ref 1.032 _refine_ls_restrained_S_all 1.031 _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 0.38470(10) 0.67907(6) 0.36440(4) 0.0545(3) Uani 1 1 d . . . Ag2 Ag 0.52332(11) 0.60464(5) 0.25676(4) 0.0538(3) Uani 1 1 d . . . Ag3 Ag 0.66665(11) 0.73403(6) 0.31582(4) 0.0570(3) Uani 1 1 d . . . Ag4 Ag 0.24252(13) 0.69777(5) 0.20432(4) 0.0633(3) Uani 1 1 d . . . Ag5 Ag 0.30921(12) 0.93117(5) 0.26739(5) 0.0590(3) Uani 1 1 d . . . Ag6 Ag 0.37357(11) 0.85557(6) 0.15942(4) 0.0587(3) Uani 1 1 d . . . Ag7 Ag 1.04754(10) 0.63251(5) 0.31000(4) 0.0483(2) Uani 1 1 d . . . Ag8 Ag 0.67263(11) 0.76393(5) 0.19157(4) 0.0511(2) Uani 1 1 d . . . Ag9 Ag 0.69904(10) 0.90669(5) 0.27633(4) 0.0474(2) Uani 1 1 d . . . Ag10 Ag 0.96136(10) 0.88045(5) 0.18453(4) 0.0480(2) Uani 1 1 d . . . Ag11 Ag 1.09185(10) 0.82115(5) 0.29622(4) 0.0492(2) Uani 1 1 d . . . Ag12 Ag 0.89915(10) 0.60176(5) 0.21213(4) 0.0453(2) Uani 1 1 d . . . C1 C 0.4148(12) 0.7334(6) 0.2712(4) 0.040(3) Uani 1 1 d . . . C2 C 0.3651(12) 0.8001(6) 0.2492(4) 0.037(2) Uani 1 1 d . . . C3 C 0.9172(11) 0.7177(6) 0.2500(4) 0.035(2) Uani 1 1 d . . . C4 C 0.8712(11) 0.7917(6) 0.2473(4) 0.035(2) Uani 1 1 d . . . O1 O 1.1007(11) 1.0242(5) 0.3139(4) 0.081(3) Uani 1 1 d . . . O2 O 0.9300(10) 0.9392(5) 0.3354(3) 0.058(2) Uani 1 1 d . . . C5 C 0.9720(15) 1.0058(7) 0.3360(5) 0.052(3) Uani 1 1 d . . . C6 C 0.849(2) 1.0753(10) 0.3686(8) 0.086(5) Uani 1 1 d . . . F11 F 0.8312(16) 1.1435(7) 0.3384(6) 0.168(6) Uani 1 1 d . . . F12 F 0.9038(14) 1.0938(9) 0.4138(6) 0.175(6) Uani 1 1 d . . . F13 F 0.7103(11) 1.0589(6) 0.3851(5) 0.122(4) Uani 1 1 d . . . O3 O 0.2238(10) 0.5731(5) 0.1765(4) 0.059(2) Uani 1 1 d . . . O4 O 0.4771(11) 0.5142(5) 0.1886(4) 0.073(3) Uani 1 1 d . . . C7 C 0.3465(15) 0.5182(7) 0.1718(5) 0.050(3) Uani 1 1 d . . . C8 C 0.3350(19) 0.4408(9) 0.1399(7) 0.075(4) Uani 1 1 d . . . F21 F 0.308(2) 0.3826(6) 0.1750(5) 0.187(7) Uani 1 1 d . . . F22 F 0.2073(15) 0.4553(6) 0.1106(5) 0.141(4) Uani 1 1 d . . . F23 F 0.4498(14) 0.4153(7) 0.1023(6) 0.162(6) Uani 1 1 d . . . O5 O 0.6620(10) 0.4915(5) 0.2941(4) 0.068(3) Uani 1 1 d . . . O6 O 0.9060(11) 0.4714(5) 0.2437(4) 0.069(3) Uani 1 1 d . . . C9 C 0.7942(14) 0.4498(6) 0.2739(5) 0.044(3) Uani 1 1 d . . . C10 C 0.8170(15) 0.3596(7) 0.2920(5) 0.050(3) Uani 1 1 d . . . F31 F 0.7084(11) 0.3248(5) 0.2742(5) 0.111(3) Uani 1 1 d . . . F32 F 0.7977(14) 0.3489(5) 0.3477(4) 0.116(4) Uani 1 1 d . . . F33 F 0.9569(9) 0.3153(4) 0.2725(4) 0.095(3) Uani 1 1 d . . . O7 O 0.5164(10) 0.9158(5) 0.0876(3) 0.055(2) Uani 1 1 d . . . O8 O 0.7413(10) 0.8688(5) 0.1271(4) 0.070(3) Uani 1 1 d . . . C11 C 0.6559(15) 0.9146(7) 0.0950(5) 0.046(3) Uani 1 1 d . . . C12 C 0.7408(18) 0.9753(9) 0.0582(6) 0.068(4) Uani 1 1 d . . . F41 F 0.8697(14) 0.9405(7) 0.0264(5) 0.150(5) Uani 1 1 d . . . F42 F 0.6514(13) 1.0239(7) 0.0261(5) 0.138(5) Uani 1 1 d . . . F43 F 0.7927(13) 1.0237(6) 0.0915(4) 0.117(4) Uani 1 1 d . . . O9 O 0.4102(14) 1.0318(6) 0.2163(5) 0.101(4) Uani 1 1 d . . . O10 O 0.6416(11) 1.0398(5) 0.2447(4) 0.075(3) Uani 1 1 d . . . C13 C 0.5138(15) 1.0660(6) 0.2256(5) 0.044(3) Uani 1 1 d . . . C14 C 0.4830(14) 1.1580(7) 0.2074(6) 0.053(3) Uani 1 1 d . . . F51 F 0.3320(10) 1.1940(5) 0.2185(5) 0.108(3) Uani 1 1 d . . . F52 F 0.5227(14) 1.1669(5) 0.1521(4) 0.116(4) Uani 1 1 d . . . F53 F 0.5649(10) 1.2012(4) 0.2333(4) 0.091(3) Uani 1 1 d . . . O11 O 0.7774(9) 0.6279(5) 0.3753(3) 0.058(2) Uani 1 1 d . . . O12 O 0.5486(9) 0.6000(5) 0.4235(3) 0.051(2) Uani 1 1 d . . . C15 C 0.6975(15) 0.5894(7) 0.4107(5) 0.046(3) Uani 1 1 d . . . C16 C 0.8005(16) 0.5222(9) 0.4426(6) 0.065(4) Uani 1 1 d . . . F61 F 0.8573(12) 0.5533(7) 0.4840(4) 0.125(4) Uani 1 1 d . . . F62 F 0.7178(11) 0.4677(6) 0.4670(4) 0.118(4) Uani 1 1 d . . . F63 F 0.9263(10) 0.4802(5) 0.4096(4) 0.100(3) Uani 1 1 d . . . O13 O 0.8223(10) 0.5880(6) 0.1221(4) 0.069(2) Uani 1 1 d . . . O14 O 0.5946(11) 0.6854(6) 0.1285(4) 0.079(3) Uani 1 1 d . . . C17 C 0.6960(15) 0.6266(7) 0.1056(5) 0.049(3) Uani 1 1 d . . . C18 C 0.6581(19) 0.6019(9) 0.0482(6) 0.068(4) Uani 1 1 d . . . F71 F 0.7469(16) 0.5369(7) 0.0278(4) 0.163(6) Uani 1 1 d . . . F72 F 0.6756(15) 0.6567(7) 0.0093(4) 0.132(4) Uani 1 1 d . . . F73 F 0.5075(13) 0.5968(7) 0.0496(4) 0.127(4) Uani 1 1 d . . . O15 O 0.5387(12) 0.8103(5) 0.3954(3) 0.073(3) Uani 1 1 d . . . O16 O 0.4803(10) 0.9332(5) 0.3517(4) 0.060(2) Uani 1 1 d . . . C19 C 0.4667(13) 0.8817(8) 0.3904(5) 0.053(3) Uani 1 1 d D A . C20 C 0.3444(12) 0.9108(6) 0.4425(4) 0.065(4) Uani 1 1 d D . . F81 F 0.201(2) 0.896(3) 0.4367(15) 0.128(12) Uani 0.50 1 d PD A 1 F82 F 0.384(4) 0.872(2) 0.4898(9) 0.127(13) Uani 0.50 1 d PD A 1 F83 F 0.318(5) 0.9890(10) 0.4543(15) 0.142(13) Uani 0.50 1 d PD A 1 F81' F 0.295(5) 0.8516(13) 0.4739(17) 0.136(15) Uani 0.50 1 d PD A 2 F82' F 0.406(3) 0.951(3) 0.4777(14) 0.118(12) Uani 0.50 1 d PD A 2 F83' F 0.212(3) 0.961(2) 0.4306(8) 0.110(9) Uani 0.50 1 d PD A 2 N1 N 0.8978(10) 0.9577(6) -0.1471(4) 0.051(3) Uani 1 1 d . . . N2 N 1.1756(10) 0.7539(5) 0.0703(4) 0.041(2) Uani 1 1 d . . . O17 O 0.8685(9) 1.0400(5) -0.1549(5) 0.080(3) Uani 1 1 d . . . O18 O 1.1807(9) 0.7817(4) 0.1233(3) 0.0477(19) Uani 1 1 d . . . C21 C 1.0187(14) 0.9101(7) -0.1796(5) 0.058(3) Uani 1 1 d . . . H21A H 1.0830 0.9334 -0.2081 0.069 Uiso 1 1 calc R . . C22 C 1.0492(14) 0.8257(7) -0.1710(5) 0.053(3) Uani 1 1 d . . . H22A H 1.1323 0.7924 -0.1944 0.064 Uiso 1 1 calc R . . C23 C 0.9565(13) 0.7903(6) -0.1276(5) 0.043(3) Uani 1 1 d . . . C24 C 0.8321(14) 0.8411(7) -0.0966(5) 0.052(3) Uani 1 1 d . . . H24A H 0.7654 0.8196 -0.0679 0.063 Uiso 1 1 calc R . . C25 C 0.8037(14) 0.9247(7) -0.1075(5) 0.057(3) Uani 1 1 d . . . H25A H 0.7161 0.9586 -0.0865 0.068 Uiso 1 1 calc R . . C26 C 0.9924(16) 0.6987(7) -0.1174(5) 0.062(4) Uani 1 1 d . . . H26A H 0.9908 0.6712 -0.1528 0.074 Uiso 1 1 calc R . . H26B H 0.9088 0.6841 -0.0890 0.074 Uiso 1 1 calc R . . C27 C 1.1613(16) 0.6691(7) -0.0962(5) 0.061(3) Uani 1 1 d . . . H27A H 1.1882 0.6095 -0.0961 0.073 Uiso 1 1 calc R . . H27B H 1.2429 0.6886 -0.1230 0.073 Uiso 1 1 calc R . . C28 C 1.1672(14) 0.6983(6) -0.0373(5) 0.045(3) Uani 1 1 d . . . C29 C 1.2319(17) 0.7650(8) -0.0295(5) 0.065(4) Uani 1 1 d . . . H29A H 1.2732 0.7927 -0.0614 0.078 Uiso 1 1 calc R . . C30 C 1.2374(15) 0.7921(7) 0.0245(5) 0.059(3) Uani 1 1 d . . . H30A H 1.2841 0.8369 0.0289 0.071 Uiso 1 1 calc R . . C31 C 1.1118(15) 0.6886(7) 0.0641(5) 0.057(3) Uani 1 1 d . . . H31A H 1.0707 0.6618 0.0965 0.068 Uiso 1 1 calc R . . C32 C 1.1059(14) 0.6608(7) 0.0110(5) 0.053(3) Uani 1 1 d . . . H32A H 1.0595 0.6156 0.0076 0.064 Uiso 1 1 calc R . . N3 N 0.0223(10) 0.7523(5) 0.4365(4) 0.041(2) Uani 1 1 d . . . N4 N -0.2912(10) 0.5220(5) 0.6473(4) 0.043(2) Uani 1 1 d . . . O19 O 0.1047(9) 0.7354(4) 0.3841(3) 0.052(2) Uani 1 1 d . . . O20 O -0.2613(10) 0.4407(4) 0.6571(4) 0.069(3) Uani 1 1 d . . . C33 C 0.0693(16) 0.7115(7) 0.4825(5) 0.069(4) Uani 1 1 d . . . H33A H 0.1595 0.6685 0.4784 0.083 Uiso 1 1 calc R . . C34 C -0.0110(17) 0.7308(8) 0.5362(5) 0.073(4) Uani 1 1 d . . . H34A H 0.0278 0.7015 0.5678 0.088 Uiso 1 1 calc R . . C35 C -0.1484(14) 0.7930(7) 0.5448(5) 0.048(3) Uani 1 1 d . . . C36 C -0.1950(14) 0.8308(8) 0.4958(5) 0.068(4) Uani 1 1 d . . . H36A H -0.2890 0.8716 0.4984 0.081 Uiso 1 1 calc R . . C37 C -0.1095(15) 0.8115(8) 0.4420(5) 0.064(4) Uani 1 1 d . . . H37A H -0.1448 0.8402 0.4097 0.076 Uiso 1 1 calc R . . C38 C -0.2397(16) 0.8150(7) 0.6028(5) 0.062(4) Uani 1 1 d . . . H38A H -0.2689 0.8745 0.6054 0.075 Uiso 1 1 calc R . . H38B H -0.1689 0.7949 0.6316 0.075 Uiso 1 1 calc R . . C39 C -0.3939(15) 0.7804(6) 0.6161(5) 0.060(4) Uani 1 1 d . . . H39A H -0.4599 0.8076 0.6495 0.072 Uiso 1 1 calc R . . H39B H -0.4561 0.7922 0.5840 0.072 Uiso 1 1 calc R . . C40 C -0.3583(13) 0.6899(7) 0.6273(5) 0.050(3) Uani 1 1 d . . . C41 C -0.2778(14) 0.6561(7) 0.6723(5) 0.052(3) Uani 1 1 d . . . H41A H -0.2447 0.6900 0.6967 0.062 Uiso 1 1 calc R . . C42 C -0.2458(13) 0.5722(7) 0.6814(5) 0.048(3) Uani 1 1 d . . . H42A H -0.1914 0.5502 0.7121 0.058 Uiso 1 1 calc R . . C43 C -0.3747(13) 0.5516(7) 0.6045(5) 0.055(3) Uani 1 1 d . . . H43A H -0.4116 0.5165 0.5821 0.066 Uiso 1 1 calc R . . C44 C -0.4062(14) 0.6361(7) 0.5939(5) 0.057(3) Uani 1 1 d . . . H44A H -0.4615 0.6568 0.5631 0.069 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.0386(5) 0.0601(6) 0.0643(6) 0.0213(5) -0.0119(4) -0.0103(4) Ag2 0.0488(5) 0.0319(5) 0.0784(7) -0.0005(4) -0.0137(5) 0.0002(4) Ag3 0.0504(5) 0.0563(6) 0.0566(6) 0.0175(5) 0.0092(4) -0.0081(4) Ag4 0.0878(7) 0.0400(5) 0.0687(7) -0.0042(4) -0.0450(6) -0.0049(5) Ag5 0.0563(6) 0.0338(5) 0.0902(8) 0.0057(5) -0.0156(5) -0.0144(4) Ag6 0.0440(5) 0.0647(6) 0.0668(7) 0.0296(5) -0.0152(4) -0.0109(4) Ag7 0.0468(5) 0.0429(5) 0.0562(6) 0.0112(4) -0.0228(4) -0.0038(4) Ag8 0.0512(5) 0.0525(5) 0.0548(6) 0.0096(4) -0.0275(4) -0.0112(4) Ag9 0.0413(5) 0.0363(5) 0.0612(6) 0.0004(4) -0.0030(4) -0.0031(4) Ag10 0.0438(5) 0.0441(5) 0.0552(6) 0.0153(4) -0.0030(4) -0.0126(4) Ag11 0.0385(5) 0.0444(5) 0.0646(6) -0.0074(4) 0.0001(4) -0.0114(4) Ag12 0.0436(5) 0.0369(5) 0.0576(6) 0.0009(4) -0.0137(4) -0.0088(4) C1 0.042(6) 0.032(6) 0.046(7) 0.005(5) -0.014(5) -0.006(5) C2 0.036(6) 0.041(6) 0.033(6) 0.009(5) -0.009(4) -0.004(5) C3 0.025(5) 0.039(6) 0.039(6) 0.013(5) -0.006(4) 0.000(4) C4 0.027(5) 0.034(6) 0.046(6) 0.008(5) -0.012(4) -0.006(4) O1 0.064(6) 0.052(5) 0.120(8) -0.015(5) 0.018(6) -0.016(5) O2 0.055(5) 0.048(5) 0.069(6) -0.011(4) -0.010(4) 0.000(4) C5 0.054(8) 0.047(7) 0.055(8) -0.013(6) -0.014(6) -0.001(6) C6 0.084(12) 0.070(11) 0.103(14) -0.043(10) 0.013(10) -0.021(9) F11 0.177(12) 0.071(7) 0.212(15) 0.002(8) 0.053(11) 0.025(7) F12 0.117(9) 0.231(15) 0.175(12) -0.149(12) 0.002(8) -0.017(9) F13 0.058(6) 0.118(8) 0.180(10) -0.063(7) 0.033(6) -0.014(5) O3 0.049(5) 0.050(5) 0.075(6) -0.014(4) -0.010(4) -0.003(4) O4 0.064(6) 0.062(6) 0.090(7) -0.019(5) -0.021(5) 0.002(5) C7 0.041(7) 0.058(8) 0.052(8) -0.001(6) -0.004(6) -0.018(6) C8 0.068(10) 0.062(10) 0.097(12) -0.028(9) -0.017(9) -0.009(8) F21 0.41(2) 0.067(6) 0.127(9) 0.018(6) -0.083(12) -0.116(10) F22 0.161(11) 0.105(8) 0.177(11) -0.070(7) -0.084(9) -0.023(7) F23 0.108(9) 0.158(11) 0.218(13) -0.128(10) 0.032(9) -0.028(8) O5 0.064(6) 0.049(5) 0.080(6) 0.009(4) -0.004(5) 0.010(4) O6 0.067(6) 0.048(5) 0.088(7) 0.017(5) 0.002(5) -0.011(4) C9 0.047(7) 0.030(6) 0.055(8) -0.006(5) -0.016(6) -0.002(5) C10 0.050(8) 0.040(7) 0.062(9) 0.000(6) -0.012(6) -0.013(6) F31 0.087(6) 0.061(5) 0.195(10) 0.000(6) -0.037(6) -0.031(5) F32 0.193(11) 0.065(5) 0.075(6) 0.021(5) -0.016(6) 0.001(6) F33 0.069(5) 0.043(4) 0.156(8) 0.010(5) 0.002(5) 0.012(4) O7 0.051(5) 0.068(6) 0.048(5) 0.021(4) -0.017(4) -0.018(4) O8 0.068(6) 0.079(6) 0.074(6) 0.035(5) -0.034(5) -0.031(5) C11 0.054(8) 0.048(7) 0.036(7) 0.001(5) -0.008(5) -0.012(6) C12 0.073(10) 0.081(10) 0.057(9) 0.021(8) -0.006(8) -0.036(8) F41 0.129(9) 0.181(11) 0.125(9) 0.022(8) 0.058(8) -0.052(8) F42 0.135(9) 0.155(9) 0.150(10) 0.117(8) -0.075(7) -0.078(7) F43 0.157(10) 0.104(7) 0.122(8) 0.039(6) -0.049(7) -0.088(7) O9 0.125(9) 0.087(7) 0.124(9) 0.045(6) -0.070(7) -0.070(7) O10 0.060(6) 0.050(5) 0.111(8) 0.020(5) -0.005(5) -0.008(4) C13 0.050(7) 0.033(6) 0.049(7) 0.009(5) -0.010(6) -0.011(5) C14 0.044(7) 0.050(7) 0.071(9) -0.002(6) -0.006(6) -0.019(6) F51 0.068(6) 0.077(6) 0.176(10) -0.015(6) -0.034(6) 0.009(5) F52 0.200(11) 0.077(6) 0.065(6) 0.028(5) 0.002(6) -0.031(6) F53 0.102(6) 0.049(5) 0.135(8) 0.007(5) -0.039(6) -0.032(4) O11 0.042(5) 0.071(6) 0.055(5) 0.027(4) -0.005(4) -0.007(4) O12 0.045(5) 0.056(5) 0.052(5) 0.011(4) -0.007(4) -0.010(4) C15 0.053(8) 0.045(7) 0.038(7) 0.000(5) -0.009(5) -0.005(6) C16 0.060(9) 0.077(9) 0.052(8) 0.022(7) -0.023(7) 0.002(7) F61 0.120(8) 0.167(10) 0.090(7) 0.002(6) -0.080(6) 0.005(7) F62 0.103(7) 0.101(7) 0.140(9) 0.083(6) -0.021(6) -0.008(6) F63 0.078(6) 0.088(6) 0.104(7) 0.023(5) 0.006(5) 0.032(5) O13 0.054(5) 0.095(7) 0.057(6) -0.002(5) -0.023(4) -0.003(5) O14 0.064(6) 0.080(7) 0.095(7) -0.043(6) -0.022(5) -0.001(5) C17 0.056(8) 0.051(7) 0.043(7) -0.004(6) 0.002(6) -0.024(6) C18 0.086(11) 0.075(10) 0.047(9) -0.004(7) -0.021(7) -0.015(8) F71 0.224(13) 0.134(9) 0.111(8) -0.082(7) -0.088(8) 0.068(9) F72 0.207(12) 0.143(9) 0.060(6) 0.016(6) -0.036(7) -0.057(9) F73 0.097(8) 0.199(11) 0.110(8) -0.042(7) -0.041(6) -0.061(8) O15 0.101(7) 0.059(6) 0.048(5) -0.006(4) -0.017(5) 0.011(5) O16 0.061(5) 0.052(5) 0.065(6) -0.005(4) 0.000(4) -0.011(4) C19 0.050(7) 0.055(8) 0.055(8) -0.011(6) -0.013(6) -0.006(6) C20 0.074(10) 0.074(10) 0.049(9) -0.006(7) -0.002(7) -0.022(8) F81 0.054(14) 0.17(3) 0.17(3) -0.04(2) 0.026(14) -0.055(18) F82 0.14(3) 0.15(4) 0.052(13) -0.002(17) 0.019(15) 0.03(2) F83 0.15(3) 0.075(15) 0.18(3) -0.060(19) 0.08(2) -0.02(2) F81' 0.15(3) 0.097(17) 0.14(3) 0.026(19) 0.06(2) -0.03(2) F82' 0.099(17) 0.14(3) 0.106(19) -0.10(2) -0.012(14) 0.023(18) F83' 0.038(12) 0.18(3) 0.098(16) -0.009(19) 0.013(11) 0.004(14) N1 0.032(5) 0.048(6) 0.071(7) 0.021(5) -0.014(5) -0.004(4) N2 0.044(5) 0.040(5) 0.039(6) 0.006(4) -0.002(4) -0.008(4) O17 0.035(5) 0.039(5) 0.159(10) 0.031(5) 0.003(5) -0.011(4) O18 0.053(5) 0.057(5) 0.032(4) -0.005(4) -0.009(3) -0.005(4) C21 0.050(8) 0.056(8) 0.067(9) 0.023(7) -0.010(6) -0.013(6) C22 0.054(7) 0.053(7) 0.051(8) -0.003(6) -0.002(6) -0.012(6) C23 0.050(7) 0.044(6) 0.044(7) 0.009(5) -0.022(5) -0.023(5) C24 0.058(8) 0.050(7) 0.048(7) 0.014(6) -0.004(6) -0.016(6) C25 0.040(7) 0.051(7) 0.075(9) 0.014(6) -0.005(6) -0.007(6) C26 0.099(11) 0.046(7) 0.045(8) 0.008(6) -0.013(7) -0.027(7) C27 0.083(9) 0.043(7) 0.052(8) 0.002(6) -0.021(7) 0.003(6) C28 0.062(7) 0.028(6) 0.042(7) 0.005(5) -0.010(5) 0.001(5) C29 0.099(11) 0.061(8) 0.036(8) 0.018(6) -0.005(7) -0.023(8) C30 0.070(9) 0.055(8) 0.061(9) 0.010(6) -0.006(7) -0.038(7) C31 0.064(8) 0.057(8) 0.056(8) 0.009(6) -0.002(6) -0.032(6) C32 0.066(8) 0.056(7) 0.044(8) 0.004(6) -0.013(6) -0.024(6) N3 0.036(5) 0.040(5) 0.044(6) -0.003(4) -0.007(4) -0.002(4) N4 0.034(5) 0.038(5) 0.060(6) 0.012(4) -0.018(4) -0.007(4) O19 0.050(5) 0.056(5) 0.040(5) 0.000(4) -0.005(4) 0.006(4) O20 0.057(5) 0.030(4) 0.130(8) 0.022(5) -0.050(5) -0.007(4) C33 0.084(10) 0.049(7) 0.054(9) 0.018(6) -0.002(7) 0.026(7) C34 0.102(11) 0.062(8) 0.043(8) 0.026(7) -0.008(7) 0.007(8) C35 0.060(8) 0.041(6) 0.048(7) -0.002(5) -0.001(6) -0.022(6) C36 0.044(7) 0.087(10) 0.057(9) 0.003(7) 0.004(6) 0.014(7) C37 0.060(8) 0.077(9) 0.043(8) 0.004(6) -0.008(6) 0.010(7) C38 0.090(10) 0.051(7) 0.039(7) 0.003(6) 0.002(7) -0.007(7) C39 0.064(8) 0.038(6) 0.062(8) -0.001(6) 0.025(6) 0.003(6) C40 0.045(7) 0.042(7) 0.054(8) 0.012(6) 0.007(6) -0.003(5) C41 0.056(7) 0.046(7) 0.050(8) 0.004(6) -0.005(6) -0.008(6) C42 0.044(7) 0.049(7) 0.051(7) 0.010(6) -0.014(5) -0.004(5) C43 0.039(7) 0.061(8) 0.065(8) 0.011(6) -0.016(6) -0.010(6) C44 0.051(7) 0.058(8) 0.064(9) 0.026(7) -0.016(6) -0.015(6) _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 O12 2.279(7) . ? Ag1 C1 2.335(10) . ? Ag1 O19 2.355(7) . ? Ag1 O20 2.538(8) 2_566 ? Ag1 Ag3 2.8211(12) . ? Ag1 Ag2 2.8588(14) . ? Ag2 C1 2.168(10) . ? Ag2 O5 2.214(8) . ? Ag2 O4 2.371(9) . ? Ag2 Ag4 2.9481(13) . ? Ag2 Ag3 3.1429(15) . ? Ag2 Ag12 3.2123(13) . ? Ag3 O15 2.316(8) . ? Ag3 O11 2.324(7) . ? Ag3 C3 2.427(9) . ? Ag3 C1 2.511(10) . ? Ag3 C4 2.518(9) . ? Ag3 Ag8 2.9370(13) . ? Ag3 Ag9 3.0364(12) . ? Ag3 Ag7 3.3074(12) . ? Ag4 O3 2.246(8) . ? Ag4 O18 2.364(7) 1_455 ? Ag4 C1 2.458(11) . ? Ag4 C2 2.511(11) . ? Ag4 Ag11 3.0085(13) 1_455 ? Ag4 Ag7 3.0803(14) 1_455 ? Ag4 Ag6 3.1485(14) . ? Ag5 C2 2.181(10) . ? Ag5 O9 2.265(9) . ? Ag5 O1 2.280(9) 1_455 ? Ag5 Ag6 2.8175(15) . ? Ag5 Ag11 2.8621(12) 1_455 ? Ag5 Ag9 3.2851(13) . ? Ag6 O7 2.264(7) . ? Ag6 C2 2.265(9) . ? Ag6 O17 2.408(8) 2_675 ? Ag6 O18 2.498(8) 1_455 ? Ag6 Ag8 2.8536(12) . ? Ag7 O20 2.180(7) 2_666 ? Ag7 C3 2.195(9) . ? Ag7 O11 2.593(7) . ? Ag7 Ag12 2.8837(13) . ? Ag7 Ag4 3.0803(14) 1_655 ? Ag7 Ag11 3.2364(12) . ? Ag8 O14 2.270(9) . ? Ag8 O8 2.374(8) . ? Ag8 C4 2.401(10) . ? Ag8 C3 2.610(10) . ? Ag8 Ag12 3.0283(12) . ? Ag8 Ag9 3.2296(13) . ? Ag9 C4 2.220(10) . ? Ag9 O10 2.279(8) . ? Ag9 O16 2.369(8) . ? Ag9 Ag10 2.8586(12) . ? Ag10 O17 2.186(7) 2_775 ? Ag10 C4 2.217(9) . ? Ag10 O8 2.494(9) . ? Ag10 O18 2.536(7) . ? Ag10 Ag11 3.0341(13) . ? Ag11 O2 2.297(7) . ? Ag11 C2 2.392(10) 1_655 ? Ag11 O19 2.460(7) 1_655 ? Ag11 C4 2.470(10) . ? Ag11 Ag5 2.8621(12) 1_655 ? Ag11 Ag4 3.0085(13) 1_655 ? Ag12 C3 2.203(11) . ? Ag12 O6 2.253(8) . ? Ag12 O13 2.333(8) . ? C1 C2 1.220(13) . ? C2 Ag11 2.392(10) 1_455 ? C3 C4 1.213(13) . ? O1 C5 1.237(14) . ? O1 Ag5 2.280(9) 1_655 ? O2 C5 1.233(14) . ? C5 C6 1.539(18) . ? C6 F13 1.269(17) . ? C6 F12 1.29(2) . ? C6 F11 1.304(19) . ? O3 C7 1.229(13) . ? O4 C7 1.216(14) . ? C7 C8 1.546(18) . ? C8 F23 1.240(16) . ? C8 F21 1.282(17) . ? C8 F22 1.337(17) . ? O5 C9 1.233(12) . ? O6 C9 1.214(13) . ? C9 C10 1.522(15) . ? C10 F33 1.295(13) . ? C10 F32 1.306(13) . ? C10 F31 1.309(14) . ? O7 C11 1.217(13) . ? O8 C11 1.242(13) . ? C11 C12 1.532(16) . ? C12 F41 1.281(16) . ? C12 F42 1.282(15) . ? C12 F43 1.325(16) . ? O9 C13 1.191(14) . ? O10 C13 1.219(13) . ? C13 C14 1.550(15) . ? C14 F51 1.292(13) . ? C14 F52 1.308(14) . ? C14 F53 1.318(14) . ? O11 C15 1.243(12) . ? O12 C15 1.236(13) . ? C15 C16 1.506(15) . ? C16 F61 1.314(16) . ? C16 F63 1.318(14) . ? C16 F62 1.325(16) . ? O13 C17 1.231(14) . ? O14 C17 1.247(13) . ? C17 C18 1.521(17) . ? C18 F71 1.253(15) . ? C18 F72 1.280(15) . ? C18 F73 1.296(16) . ? O15 C19 1.225(13) . ? O16 C19 1.232(13) . ? C19 C20 1.519(9) . ? C20 F83' 1.309(9) . ? C20 F83 1.309(9) . ? C20 F82 1.311(10) . ? C20 F81' 1.312(9) . ? C20 F82' 1.313(9) . ? C20 F81 1.317(9) . ? N1 C25 1.320(13) . ? N1 C21 1.328(15) . ? N1 O17 1.347(11) . ? N2 C30 1.329(13) . ? N2 C31 1.334(14) . ? N2 O18 1.356(11) . ? O17 Ag10 2.186(7) 2_775 ? O17 Ag6 2.408(7) 2_675 ? O18 Ag4 2.364(7) 1_655 ? O18 Ag6 2.498(8) 1_655 ? C21 C22 1.384(15) . ? C22 C23 1.388(14) . ? C23 C24 1.353(15) . ? C23 C26 1.505(15) . ? C24 C25 1.379(15) . ? C26 C27 1.557(17) . ? C27 C28 1.501(16) . ? C28 C32 1.364(14) . ? C28 C29 1.367(16) . ? C29 C30 1.376(17) . ? C31 C32 1.361(16) . ? N3 C33 1.314(13) . ? N3 C37 1.322(13) . ? N3 O19 1.342(10) . ? N4 C43 1.328(14) . ? N4 C42 1.330(14) . ? N4 O20 1.338(10) . ? O19 Ag11 2.460(7) 1_455 ? O20 Ag7 2.180(7) 2_666 ? O20 Ag1 2.538(8) 2_566 ? C33 C34 1.368(16) . ? C34 C35 1.385(16) . ? C35 C36 1.356(16) . ? C35 C38 1.492(15) . ? C36 C37 1.384(16) . ? C38 C39 1.529(17) . ? C39 C40 1.491(14) . ? C40 C41 1.373(16) . ? C40 C44 1.374(17) . ? C41 C42 1.378(15) . ? C43 C44 1.393(15) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O12 Ag1 C1 136.6(3) . . ? O12 Ag1 O19 128.0(3) . . ? C1 Ag1 O19 95.4(3) . . ? O12 Ag1 O20 92.2(3) . 2_566 ? C1 Ag1 O20 97.7(3) . 2_566 ? O19 Ag1 O20 78.2(3) . 2_566 ? O12 Ag1 Ag3 85.43(19) . . ? C1 Ag1 Ag3 57.4(3) . . ? O19 Ag1 Ag3 136.99(19) . . ? O20 Ag1 Ag3 133.0(2) 2_566 . ? O12 Ag1 Ag2 99.9(2) . . ? C1 Ag1 Ag2 48.0(2) . . ? O19 Ag1 Ag2 121.41(19) . . ? O20 Ag1 Ag2 67.1(2) 2_566 . ? Ag3 Ag1 Ag2 67.19(4) . . ? C1 Ag2 O5 144.8(4) . . ? C1 Ag2 O4 129.7(4) . . ? O5 Ag2 O4 84.3(3) . . ? C1 Ag2 Ag1 53.2(3) . . ? O5 Ag2 Ag1 95.6(2) . . ? O4 Ag2 Ag1 141.7(2) . . ? C1 Ag2 Ag4 54.9(3) . . ? O5 Ag2 Ag4 152.7(3) . . ? O4 Ag2 Ag4 75.4(2) . . ? Ag1 Ag2 Ag4 89.46(4) . . ? C1 Ag2 Ag3 52.6(3) . . ? O5 Ag2 Ag3 98.4(3) . . ? O4 Ag2 Ag3 162.2(2) . . ? Ag1 Ag2 Ag3 55.83(3) . . ? Ag4 Ag2 Ag3 106.59(3) . . ? C1 Ag2 Ag12 104.7(3) . . ? O5 Ag2 Ag12 74.1(2) . . ? O4 Ag2 Ag12 98.1(2) . . ? Ag1 Ag2 Ag12 118.75(4) . . ? Ag4 Ag2 Ag12 126.22(4) . . ? Ag3 Ag2 Ag12 66.10(3) . . ? O15 Ag3 O11 90.3(3) . . ? O15 Ag3 C3 139.2(4) . . ? O11 Ag3 C3 92.2(3) . . ? O15 Ag3 C1 96.6(3) . . ? O11 Ag3 C1 122.4(3) . . ? C3 Ag3 C1 115.8(3) . . ? O15 Ag3 C4 118.3(3) . . ? O11 Ag3 C4 114.9(3) . . ? C3 Ag3 C4 28.3(3) . . ? C1 Ag3 C4 111.3(3) . . ? O15 Ag3 Ag1 68.9(3) . . ? O11 Ag3 Ag1 79.36(19) . . ? C3 Ag3 Ag1 151.2(3) . . ? C1 Ag3 Ag1 51.5(2) . . ? C4 Ag3 Ag1 162.8(2) . . ? O15 Ag3 Ag8 133.3(2) . . ? O11 Ag3 Ag8 136.4(2) . . ? C3 Ag3 Ag8 57.3(2) . . ? C1 Ag3 Ag8 61.2(2) . . ? C4 Ag3 Ag8 51.5(2) . . ? Ag1 Ag3 Ag8 111.71(4) . . ? O15 Ag3 Ag9 78.3(2) . . ? O11 Ag3 Ag9 140.7(2) . . ? C3 Ag3 Ag9 74.2(2) . . ? C1 Ag3 Ag9 96.3(2) . . ? C4 Ag3 Ag9 46.0(2) . . ? Ag1 Ag3 Ag9 128.39(4) . . ? Ag8 Ag3 Ag9 65.43(3) . . ? O15 Ag3 Ag2 125.3(3) . . ? O11 Ag3 Ag2 87.6(2) . . ? C3 Ag3 Ag2 95.5(3) . . ? C1 Ag3 Ag2 43.3(2) . . ? C4 Ag3 Ag2 111.9(2) . . ? Ag1 Ag3 Ag2 56.98(3) . . ? Ag8 Ag3 Ag2 67.73(3) . . ? Ag9 Ag3 Ag2 129.57(4) . . ? O15 Ag3 Ag7 121.2(2) . . ? O11 Ag3 Ag7 51.29(18) . . ? C3 Ag3 Ag7 41.6(2) . . ? C1 Ag3 Ag7 139.9(2) . . ? C4 Ag3 Ag7 64.2(2) . . ? Ag1 Ag3 Ag7 127.36(4) . . ? Ag8 Ag3 Ag7 96.11(3) . . ? Ag9 Ag3 Ag7 103.48(3) . . ? Ag2 Ag3 Ag7 98.98(3) . . ? O3 Ag4 O18 102.6(3) . 1_455 ? O3 Ag4 C1 129.0(3) . . ? O18 Ag4 C1 121.3(3) 1_455 . ? O3 Ag4 C2 156.3(3) . . ? O18 Ag4 C2 94.7(3) 1_455 . ? C1 Ag4 C2 28.4(3) . . ? O3 Ag4 Ag2 83.7(2) . . ? O18 Ag4 Ag2 140.77(18) 1_455 . ? C1 Ag4 Ag2 46.2(2) . . ? C2 Ag4 Ag2 72.7(2) . . ? O3 Ag4 Ag11 139.9(2) . 1_455 ? O18 Ag4 Ag11 98.42(18) 1_455 1_455 ? C1 Ag4 Ag11 61.1(2) . 1_455 ? C2 Ag4 Ag11 50.4(2) . 1_455 ? Ag2 Ag4 Ag11 100.84(4) . 1_455 ? O3 Ag4 Ag7 77.1(2) . 1_455 ? O18 Ag4 Ag7 136.14(18) 1_455 1_455 ? C1 Ag4 Ag7 86.7(2) . 1_455 ? C2 Ag4 Ag7 101.4(2) . 1_455 ? Ag2 Ag4 Ag7 83.09(3) . 1_455 ? Ag11 Ag4 Ag7 64.20(3) 1_455 1_455 ? O3 Ag4 Ag6 141.9(2) . . ? O18 Ag4 Ag6 51.52(19) 1_455 . ? C1 Ag4 Ag6 69.9(2) . . ? C2 Ag4 Ag6 45.5(2) . . ? Ag2 Ag4 Ag6 100.56(4) . . ? Ag11 Ag4 Ag6 77.02(3) 1_455 . ? Ag7 Ag4 Ag6 140.95(4) 1_455 . ? C2 Ag5 O9 127.5(4) . . ? C2 Ag5 O1 137.7(3) . 1_455 ? O9 Ag5 O1 91.9(4) . 1_455 ? C2 Ag5 Ag6 52.0(3) . . ? O9 Ag5 Ag6 82.2(3) . . ? O1 Ag5 Ag6 135.5(3) 1_455 . ? C2 Ag5 Ag11 54.6(3) . 1_455 ? O9 Ag5 Ag11 155.9(3) . 1_455 ? O1 Ag5 Ag11 83.2(2) 1_455 1_455 ? Ag6 Ag5 Ag11 84.94(4) . 1_455 ? C2 Ag5 Ag9 85.1(3) . . ? O9 Ag5 Ag9 70.2(3) . . ? O1 Ag5 Ag9 127.8(3) 1_455 . ? Ag6 Ag5 Ag9 91.46(4) . . ? Ag11 Ag5 Ag9 130.61(4) 1_455 . ? O7 Ag6 C2 146.9(3) . . ? O7 Ag6 O17 92.5(3) . 2_675 ? C2 Ag6 O17 108.6(3) . 2_675 ? O7 Ag6 O18 112.4(3) . 1_455 ? C2 Ag6 O18 97.6(3) . 1_455 ? O17 Ag6 O18 76.0(3) 2_675 1_455 ? O7 Ag6 Ag5 117.2(2) . . ? C2 Ag6 Ag5 49.4(3) . . ? O17 Ag6 Ag5 74.8(3) 2_675 . ? O18 Ag6 Ag5 122.59(16) 1_455 . ? O7 Ag6 Ag8 89.0(2) . . ? C2 Ag6 Ag8 63.3(2) . . ? O17 Ag6 Ag8 162.4(3) 2_675 . ? O18 Ag6 Ag8 119.51(17) 1_455 . ? Ag5 Ag6 Ag8 88.88(4) . . ? O7 Ag6 Ag4 147.2(2) . . ? C2 Ag6 Ag4 52.2(3) . . ? O17 Ag6 Ag4 104.09(17) 2_675 . ? O18 Ag6 Ag4 47.80(16) 1_455 . ? Ag5 Ag6 Ag4 94.59(4) . . ? Ag8 Ag6 Ag4 83.48(3) . . ? O20 Ag7 C3 155.3(3) 2_666 . ? O20 Ag7 O11 113.7(3) 2_666 . ? C3 Ag7 O11 90.9(3) . . ? O20 Ag7 Ag12 128.6(2) 2_666 . ? C3 Ag7 Ag12 49.2(3) . . ? O11 Ag7 Ag12 89.23(19) . . ? O20 Ag7 Ag4 94.4(2) 2_666 1_655 ? C3 Ag7 Ag4 60.9(2) . 1_655 ? O11 Ag7 Ag4 151.77(16) . 1_655 ? Ag12 Ag7 Ag4 73.92(3) . 1_655 ? O20 Ag7 Ag11 108.2(2) 2_666 . ? C3 Ag7 Ag11 59.2(3) . . ? O11 Ag7 Ag11 108.99(18) . . ? Ag12 Ag7 Ag11 106.08(3) . . ? Ag4 Ag7 Ag11 56.82(3) 1_655 . ? O20 Ag7 Ag3 156.5(3) 2_666 . ? C3 Ag7 Ag3 47.2(2) . . ? O11 Ag7 Ag3 44.37(16) . . ? Ag12 Ag7 Ag3 67.69(3) . . ? Ag4 Ag7 Ag3 107.50(3) 1_655 . ? Ag11 Ag7 Ag3 78.25(3) . . ? O14 Ag8 O8 98.9(3) . . ? O14 Ag8 C4 150.9(3) . . ? O8 Ag8 C4 86.9(3) . . ? O14 Ag8 C3 125.6(3) . . ? O8 Ag8 C3 106.0(3) . . ? C4 Ag8 C3 27.6(3) . . ? O14 Ag8 Ag6 73.6(2) . . ? O8 Ag8 Ag6 73.8(2) . . ? C4 Ag8 Ag6 134.9(2) . . ? C3 Ag8 Ag6 159.7(2) . . ? O14 Ag8 Ag3 126.4(3) . . ? O8 Ag8 Ag3 134.7(2) . . ? C4 Ag8 Ag3 55.2(2) . . ? C3 Ag8 Ag3 51.5(2) . . ? Ag6 Ag8 Ag3 113.82(4) . . ? O14 Ag8 Ag12 80.8(2) . . ? O8 Ag8 Ag12 124.6(2) . . ? C4 Ag8 Ag12 72.6(2) . . ? C3 Ag8 Ag12 45.3(2) . . ? Ag6 Ag8 Ag12 150.91(4) . . ? Ag3 Ag8 Ag12 71.03(3) . . ? O14 Ag8 Ag9 165.6(2) . . ? O8 Ag8 Ag9 76.9(2) . . ? C4 Ag8 Ag9 43.4(2) . . ? C3 Ag8 Ag9 68.7(2) . . ? Ag6 Ag8 Ag9 91.95(4) . . ? Ag3 Ag8 Ag9 58.77(3) . . ? Ag12 Ag8 Ag9 113.04(3) . . ? C4 Ag9 O10 136.5(3) . . ? C4 Ag9 O16 132.1(3) . . ? O10 Ag9 O16 91.2(3) . . ? C4 Ag9 Ag10 49.8(2) . . ? O10 Ag9 Ag10 86.9(2) . . ? O16 Ag9 Ag10 178.1(2) . . ? C4 Ag9 Ag3 54.6(2) . . ? O10 Ag9 Ag3 162.5(2) . . ? O16 Ag9 Ag3 78.2(2) . . ? Ag10 Ag9 Ag3 103.76(3) . . ? C4 Ag9 Ag8 48.0(3) . . ? O10 Ag9 Ag8 118.3(3) . . ? O16 Ag9 Ag8 113.3(2) . . ? Ag10 Ag9 Ag8 67.93(3) . . ? Ag3 Ag9 Ag8 55.80(3) . . ? C4 Ag9 Ag5 120.9(3) . . ? O10 Ag9 Ag5 79.2(2) . . ? O16 Ag9 Ag5 52.2(2) . . ? Ag10 Ag9 Ag5 127.59(4) . . ? Ag3 Ag9 Ag5 83.34(3) . . ? Ag8 Ag9 Ag5 75.10(3) . . ? O17 Ag10 C4 151.4(4) 2_775 . ? O17 Ag10 O8 120.4(3) 2_775 . ? C4 Ag10 O8 88.2(3) . . ? O17 Ag10 O18 79.1(3) 2_775 . ? C4 Ag10 O18 99.5(3) . . ? O8 Ag10 O18 94.7(3) . . ? O17 Ag10 Ag9 128.4(3) 2_775 . ? C4 Ag10 Ag9 49.9(3) . . ? O8 Ag10 Ag9 82.7(2) . . ? O18 Ag10 Ag9 149.26(17) . . ? O17 Ag10 Ag11 98.0(3) 2_775 . ? C4 Ag10 Ag11 53.4(3) . . ? O8 Ag10 Ag11 141.51(18) . . ? O18 Ag10 Ag11 94.04(16) . . ? Ag9 Ag10 Ag11 71.06(3) . . ? O2 Ag11 C2 128.8(3) . 1_655 ? O2 Ag11 O19 98.6(3) . 1_655 ? C2 Ag11 O19 105.3(3) 1_655 1_655 ? O2 Ag11 C4 92.2(3) . . ? C2 Ag11 C4 121.1(3) 1_655 . ? O19 Ag11 C4 107.7(3) 1_655 . ? O2 Ag11 Ag5 80.9(2) . 1_655 ? C2 Ag11 Ag5 48.0(2) 1_655 1_655 ? O19 Ag11 Ag5 120.8(2) 1_655 1_655 ? C4 Ag11 Ag5 131.5(2) . 1_655 ? O2 Ag11 Ag4 157.1(2) . 1_655 ? C2 Ag11 Ag4 54.0(3) 1_655 1_655 ? O19 Ag11 Ag4 102.06(17) 1_655 1_655 ? C4 Ag11 Ag4 72.2(2) . 1_655 ? Ag5 Ag11 Ag4 96.76(4) 1_655 1_655 ? O2 Ag11 Ag10 86.2(2) . . ? C2 Ag11 Ag10 91.0(2) 1_655 . ? O19 Ag11 Ag10 153.8(2) 1_655 . ? C4 Ag11 Ag10 46.1(2) . . ? Ag5 Ag11 Ag10 85.42(3) 1_655 . ? Ag4 Ag11 Ag10 70.90(3) 1_655 . ? O2 Ag11 Ag7 130.3(2) . . ? C2 Ag11 Ag7 99.9(2) 1_655 . ? O19 Ag11 Ag7 53.45(19) 1_655 . ? C4 Ag11 Ag7 65.8(2) . . ? Ag5 Ag11 Ag7 147.24(4) 1_655 . ? Ag4 Ag11 Ag7 58.97(3) 1_655 . ? Ag10 Ag11 Ag7 104.21(4) . . ? C3 Ag12 O6 135.9(3) . . ? C3 Ag12 O13 125.9(3) . . ? O6 Ag12 O13 97.7(3) . . ? C3 Ag12 Ag7 48.9(2) . . ? O6 Ag12 Ag7 89.6(3) . . ? O13 Ag12 Ag7 168.2(2) . . ? C3 Ag12 Ag8 57.3(2) . . ? O6 Ag12 Ag8 143.4(2) . . ? O13 Ag12 Ag8 75.8(2) . . ? Ag7 Ag12 Ag8 103.74(3) . . ? C3 Ag12 Ag2 98.4(2) . . ? O6 Ag12 Ag2 77.8(2) . . ? O13 Ag12 Ag2 83.7(2) . . ? Ag7 Ag12 Ag2 107.03(4) . . ? Ag8 Ag12 Ag2 65.78(3) . . ? C2 C1 Ag2 146.2(9) . . ? C2 C1 Ag1 134.2(9) . . ? Ag2 C1 Ag1 78.7(3) . . ? C2 C1 Ag4 78.2(7) . . ? Ag2 C1 Ag4 78.9(3) . . ? Ag1 C1 Ag4 117.0(4) . . ? C2 C1 Ag3 110.9(8) . . ? Ag2 C1 Ag3 84.1(3) . . ? Ag1 C1 Ag3 71.1(3) . . ? Ag4 C1 Ag3 158.9(5) . . ? C1 C2 Ag5 141.3(9) . . ? C1 C2 Ag6 136.7(9) . . ? Ag5 C2 Ag6 78.6(3) . . ? C1 C2 Ag11 97.3(7) . 1_455 ? Ag5 C2 Ag11 77.3(3) . 1_455 ? Ag6 C2 Ag11 110.8(4) . 1_455 ? C1 C2 Ag4 73.4(7) . . ? Ag5 C2 Ag4 138.5(4) . . ? Ag6 C2 Ag4 82.3(3) . . ? Ag11 C2 Ag4 75.7(3) 1_455 . ? C4 C3 Ag7 134.6(9) . . ? C4 C3 Ag12 143.0(9) . . ? Ag7 C3 Ag12 81.9(3) . . ? C4 C3 Ag3 80.0(6) . . ? Ag7 C3 Ag3 91.2(3) . . ? Ag12 C3 Ag3 96.8(4) . . ? C4 C3 Ag8 66.6(6) . . ? Ag7 C3 Ag8 150.9(5) . . ? Ag12 C3 Ag8 77.5(3) . . ? Ag3 C3 Ag8 71.2(2) . . ? C3 C4 Ag10 128.6(8) . . ? C3 C4 Ag9 151.0(8) . . ? Ag10 C4 Ag9 80.2(3) . . ? C3 C4 Ag8 85.8(7) . . ? Ag10 C4 Ag8 95.3(4) . . ? Ag9 C4 Ag8 88.6(3) . . ? C3 C4 Ag11 94.3(7) . . ? Ag10 C4 Ag11 80.5(3) . . ? Ag9 C4 Ag11 93.7(4) . . ? Ag8 C4 Ag11 174.8(4) . . ? C3 C4 Ag3 71.7(6) . . ? Ag10 C4 Ag3 156.9(4) . . ? Ag9 C4 Ag3 79.4(3) . . ? Ag8 C4 Ag3 73.3(3) . . ? Ag11 C4 Ag3 111.8(4) . . ? C5 O1 Ag5 122.5(8) . 1_655 ? C5 O2 Ag11 124.7(8) . . ? O2 C5 O1 128.6(11) . . ? O2 C5 C6 116.1(12) . . ? O1 C5 C6 115.3(12) . . ? F13 C6 F12 106.9(15) . . ? F13 C6 F11 109.3(16) . . ? F12 C6 F11 103.6(16) . . ? F13 C6 C5 114.8(13) . . ? F12 C6 C5 110.4(15) . . ? F11 C6 C5 111.2(14) . . ? C7 O3 Ag4 118.6(8) . . ? C7 O4 Ag2 123.7(8) . . ? O4 C7 O3 130.5(12) . . ? O4 C7 C8 113.8(12) . . ? O3 C7 C8 115.7(12) . . ? F23 C8 F21 110.6(15) . . ? F23 C8 F22 102.7(15) . . ? F21 C8 F22 103.7(15) . . ? F23 C8 C7 115.8(14) . . ? F21 C8 C7 111.6(13) . . ? F22 C8 C7 111.4(12) . . ? C9 O5 Ag2 127.6(8) . . ? C9 O6 Ag12 123.5(7) . . ? O6 C9 O5 129.1(10) . . ? O6 C9 C10 117.5(10) . . ? O5 C9 C10 113.4(11) . . ? F33 C10 F32 107.2(11) . . ? F33 C10 F31 105.9(10) . . ? F32 C10 F31 104.5(11) . . ? F33 C10 C9 114.2(10) . . ? F32 C10 C9 112.8(10) . . ? F31 C10 C9 111.6(10) . . ? C11 O7 Ag6 114.4(7) . . ? C11 O8 Ag8 129.1(8) . . ? C11 O8 Ag10 136.4(8) . . ? Ag8 O8 Ag10 89.1(3) . . ? O7 C11 O8 128.7(11) . . ? O7 C11 C12 116.1(11) . . ? O8 C11 C12 115.2(11) . . ? F41 C12 F42 107.7(13) . . ? F41 C12 F43 104.1(13) . . ? F42 C12 F43 105.6(13) . . ? F41 C12 C11 113.5(12) . . ? F42 C12 C11 115.1(12) . . ? F43 C12 C11 110.1(11) . . ? C13 O9 Ag5 129.7(8) . . ? C13 O10 Ag9 119.3(8) . . ? O9 C13 O10 130.8(11) . . ? O9 C13 C14 113.7(11) . . ? O10 C13 C14 115.4(11) . . ? F51 C14 F52 106.3(12) . . ? F51 C14 F53 105.9(11) . . ? F52 C14 F53 107.3(10) . . ? F51 C14 C13 112.5(10) . . ? F52 C14 C13 111.2(10) . . ? F53 C14 C13 113.2(11) . . ? C15 O11 Ag3 124.9(7) . . ? C15 O11 Ag7 148.7(7) . . ? Ag3 O11 Ag7 84.3(2) . . ? C15 O12 Ag1 119.0(7) . . ? O12 C15 O11 128.9(10) . . ? O12 C15 C16 117.2(10) . . ? O11 C15 C16 113.8(11) . . ? F61 C16 F63 107.1(12) . . ? F61 C16 F62 106.7(12) . . ? F63 C16 F62 106.3(12) . . ? F61 C16 C15 110.4(12) . . ? F63 C16 C15 113.4(10) . . ? F62 C16 C15 112.6(11) . . ? C17 O13 Ag12 124.5(8) . . ? C17 O14 Ag8 119.1(8) . . ? O13 C17 O14 129.2(12) . . ? O13 C17 C18 116.6(12) . . ? O14 C17 C18 114.1(12) . . ? F71 C18 F72 104.6(13) . . ? F71 C18 F73 108.8(14) . . ? F72 C18 F73 103.2(13) . . ? F71 C18 C17 115.2(12) . . ? F72 C18 C17 111.4(13) . . ? F73 C18 C17 112.7(12) . . ? C19 O15 Ag3 121.2(7) . . ? C19 O16 Ag9 120.1(7) . . ? O15 C19 O16 131.2(10) . . ? O15 C19 C20 112.8(11) . . ? O16 C19 C20 115.9(10) . . ? F83' C20 F83 59.1(12) . . ? F83' C20 F82 132.2(16) . . ? F83 C20 F82 105.3(11) . . ? F83' C20 F81' 105.5(11) . . ? F83 C20 F81' 128(2) . . ? F82 C20 F81' 45.3(13) . . ? F83' C20 F82' 105.2(11) . . ? F83 C20 F82' 48.2(13) . . ? F82 C20 F82' 63.6(14) . . ? F81' C20 F82' 105.0(12) . . ? F83' C20 F81 49.8(11) . . ? F83 C20 F81 105.3(12) . . ? F82 C20 F81 105.2(11) . . ? F81' C20 F81 62.1(12) . . ? F82' C20 F81 137.3(17) . . ? F83' C20 C19 114.5(12) . . ? F83 C20 C19 116.7(13) . . ? F82 C20 C19 112.6(14) . . ? F81' C20 C19 114.5(16) . . ? F82' C20 C19 111.2(13) . . ? F81 C20 C19 110.9(14) . . ? C25 N1 C21 120.2(10) . . ? C25 N1 O17 119.5(10) . . ? C21 N1 O17 120.3(9) . . ? C30 N2 C31 120.2(10) . . ? C30 N2 O18 118.9(10) . . ? C31 N2 O18 120.9(9) . . ? N1 O17 Ag10 129.2(6) . 2_775 ? N1 O17 Ag6 134.2(6) . 2_675 ? Ag10 O17 Ag6 95.7(3) 2_775 2_675 ? N2 O18 Ag4 125.2(6) . 1_655 ? N2 O18 Ag6 131.3(6) . 1_655 ? Ag4 O18 Ag6 80.7(2) 1_655 1_655 ? N2 O18 Ag10 128.0(6) . . ? Ag4 O18 Ag10 91.3(2) 1_655 . ? Ag6 O18 Ag10 85.3(2) 1_655 . ? N1 C21 C22 120.0(11) . . ? C21 C22 C23 120.5(11) . . ? C24 C23 C22 117.3(10) . . ? C24 C23 C26 122.2(10) . . ? C22 C23 C26 120.4(11) . . ? C23 C24 C25 120.2(10) . . ? N1 C25 C24 121.7(11) . . ? C23 C26 C27 111.2(10) . . ? C28 C27 C26 113.2(10) . . ? C32 C28 C29 116.9(11) . . ? C32 C28 C27 121.7(11) . . ? C29 C28 C27 121.4(10) . . ? C28 C29 C30 121.5(10) . . ? N2 C30 C29 119.6(11) . . ? N2 C31 C32 121.0(11) . . ? C31 C32 C28 120.7(12) . . ? C33 N3 C37 119.2(10) . . ? C33 N3 O19 121.7(9) . . ? C37 N3 O19 119.1(9) . . ? C43 N4 C42 120.9(10) . . ? C43 N4 O20 118.3(10) . . ? C42 N4 O20 120.8(9) . . ? N3 O19 Ag1 125.4(6) . . ? N3 O19 Ag11 128.5(5) . 1_455 ? Ag1 O19 Ag11 95.1(3) . 1_455 ? N4 O20 Ag7 126.4(6) . 2_666 ? N4 O20 Ag1 136.5(6) . 2_566 ? Ag7 O20 Ag1 96.6(3) 2_666 2_566 ? N3 C33 C34 121.8(11) . . ? C33 C34 C35 121.7(11) . . ? C36 C35 C34 114.0(11) . . ? C36 C35 C38 122.9(11) . . ? C34 C35 C38 123.1(11) . . ? C35 C36 C37 123.2(11) . . ? N3 C37 C36 120.1(11) . . ? C35 C38 C39 113.7(11) . . ? C40 C39 C38 112.5(10) . . ? C41 C40 C44 116.5(10) . . ? C41 C40 C39 121.5(12) . . ? C44 C40 C39 122.0(12) . . ? C40 C41 C42 120.2(12) . . ? N4 C42 C41 121.4(11) . . ? N4 C43 C44 118.7(12) . . ? C40 C44 C43 122.2(12) . . ? _diffrn_measured_fraction_theta_max 0.993 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.993 _refine_diff_density_max 2.513 _refine_diff_density_min -1.932 _refine_diff_density_rms 0.171 #===END data_compound3 _database_code_depnum_ccdc_archive 'CCDC 275847' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C23 H14 Ag6 F12 N2 O10' _chemical_formula_weight 1353.58 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 8.5495(6) _cell_length_b 14.4966(11) _cell_length_c 15.5723(11) _cell_angle_alpha 64.4030(10) _cell_angle_beta 75.630(2) _cell_angle_gamma 86.4470(10) _cell_volume 1683.9(2) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.54 _exptl_crystal_size_mid 0.37 _exptl_crystal_size_min 0.22 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.670 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1272 _exptl_absorpt_coefficient_mu 3.541 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.413061 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(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 10263 _diffrn_reflns_av_R_equivalents 0.0328 _diffrn_reflns_av_sigmaI/netI 0.0504 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 1.56 _diffrn_reflns_theta_max 26.00 _reflns_number_total 6555 _reflns_number_gt 4817 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0639P)^2^+12.9929P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6555 _refine_ls_number_parameters 478 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0890 _refine_ls_R_factor_gt 0.0630 _refine_ls_wR_factor_ref 0.1592 _refine_ls_wR_factor_gt 0.1410 _refine_ls_goodness_of_fit_ref 1.152 _refine_ls_restrained_S_all 1.152 _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 0.31893(11) 0.81598(7) 0.55555(7) 0.0465(2) Uani 1 1 d . . . Ag2 Ag 0.04661(10) 0.90135(7) 0.67486(6) 0.0464(2) Uani 1 1 d . . . Ag3 Ag 0.04924(12) 1.11371(7) 0.54084(8) 0.0578(3) Uani 1 1 d . . . Ag4 Ag 0.31455(11) 1.17184(7) 0.35848(7) 0.0451(2) Uani 1 1 d . . . Ag5 Ag 0.57304(9) 0.99008(7) 0.41242(6) 0.0372(2) Uani 1 1 d . . . Ag6 Ag 0.33614(10) 0.97751(8) 0.32277(7) 0.0466(3) Uani 1 1 d . . . C1 C 0.2001(12) 0.9860(8) 0.5338(7) 0.036(2) Uani 1 1 d . . . C2 C 0.2950(12) 0.9991(8) 0.4547(7) 0.036(2) Uani 1 1 d . . . O1 O 0.4663(10) 0.7134(7) 0.4931(7) 0.061(2) Uani 1 1 d . . . O2 O 0.6793(11) 0.8084(7) 0.4657(8) 0.070(3) Uani 1 1 d . . . C3 C 0.6105(14) 0.7347(9) 0.4686(9) 0.042(3) Uani 1 1 d . . . C4 C 0.7231(16) 0.6629(11) 0.4367(11) 0.057(3) Uani 1 1 d . . . F11 F 0.8225(16) 0.6243(11) 0.4905(12) 0.149(6) Uani 1 1 d . . . F12 F 0.8121(16) 0.7101(10) 0.3467(9) 0.136(5) Uani 1 1 d . . . F13 F 0.6478(12) 0.5879(8) 0.4377(10) 0.113(4) Uani 1 1 d . . . O3 O 0.7198(11) 1.0238(8) 0.2539(7) 0.066(3) Uani 1 1 d . . . O4 O 0.5402(10) 0.9685(8) 0.2024(6) 0.058(2) Uani 1 1 d . . . C5 C 0.6724(14) 0.9995(9) 0.1975(8) 0.044(3) Uani 1 1 d . . . C6 C 0.8046(19) 1.0063(15) 0.1074(11) 0.072(4) Uani 1 1 d . . . F21 F 0.9322(14) 1.0619(12) 0.0912(9) 0.157(7) Uani 1 1 d . . . F22 F 0.7531(15) 1.0397(10) 0.0281(6) 0.120(4) Uani 1 1 d . . . F23 F 0.8586(13) 0.9175(10) 0.1173(8) 0.110(4) Uani 1 1 d . . . O5 O 0.0434(9) 0.7417(6) 0.5697(6) 0.0468(19) Uani 1 1 d . . . O6 O -0.1829(10) 0.6799(6) 0.6894(7) 0.057(2) Uani 1 1 d . . . C7 C -0.0412(13) 0.6767(8) 0.6466(9) 0.040(3) Uani 1 1 d . . . C8 C 0.0403(16) 0.5763(10) 0.6940(12) 0.064(4) Uani 1 1 d . . . F31 F 0.0103(15) 0.5114(7) 0.6620(10) 0.123(4) Uani 1 1 d . . . F32 F 0.1949(11) 0.5879(7) 0.6767(10) 0.123(5) Uani 1 1 d . . . F33 F -0.0163(14) 0.5292(8) 0.7901(9) 0.128(5) Uani 1 1 d . . . O7 O 0.1487(11) 0.7460(7) 0.7806(7) 0.071(3) Uani 1 1 d . . . O8 O 0.4081(11) 0.7625(8) 0.7057(7) 0.065(3) Uani 1 1 d . . . C9 C 0.2912(15) 0.7375(9) 0.7791(9) 0.048(3) Uani 1 1 d . . . C10 C 0.336(2) 0.6919(15) 0.8758(11) 0.079(5) Uani 1 1 d . . . F41 F 0.448(3) 0.6294(17) 0.8838(13) 0.230(11) Uani 1 1 d . . . F42 F 0.231(2) 0.636(2) 0.9453(10) 0.278(16) Uani 1 1 d . . . F43 F 0.388(3) 0.7520(12) 0.9012(12) 0.207(10) Uani 1 1 d . . . O9 O -0.2029(9) 0.8628(6) 0.7721(6) 0.048(2) Uani 1 1 d . . . O10 O -0.8714(10) 0.8849(6) 1.3162(6) 0.052(2) Uani 1 1 d . . . N1 N -0.2308(10) 0.8090(7) 0.8710(6) 0.038(2) Uani 1 1 d . . . N2 N -0.8208(11) 0.8078(8) 1.2945(7) 0.043(2) Uani 1 1 d . . . C11 C -0.3039(14) 0.8569(9) 0.9261(8) 0.044(3) Uani 1 1 d . . . H11A H -0.3320 0.9244 0.8965 0.053 Uiso 1 1 calc R . . C12 C -0.3369(16) 0.8047(9) 1.0271(9) 0.050(3) Uani 1 1 d . . . H12A H -0.3879 0.8374 1.0656 0.060 Uiso 1 1 calc R . . C13 C -0.2948(13) 0.7032(9) 1.0723(8) 0.045(3) Uani 1 1 d . . . C14 C -0.2264(16) 0.6586(10) 1.0118(10) 0.061(4) Uani 1 1 d . . . H14A H -0.2002 0.5904 1.0393 0.073 Uiso 1 1 calc R . . C15 C -0.1950(15) 0.7115(9) 0.9112(10) 0.054(3) Uani 1 1 d . . . H15A H -0.1490 0.6790 0.8715 0.065 Uiso 1 1 calc R . . C16 C -0.3255(16) 0.6461(10) 1.1814(9) 0.056(3) Uani 1 1 d . . . H16A H -0.3677 0.6925 1.2105 0.067 Uiso 1 1 calc R . . H16B H -0.2235 0.6235 1.1983 0.067 Uiso 1 1 calc R . . C17 C -0.4431(15) 0.5536(9) 1.2259(9) 0.051(3) Uani 1 1 d . . . H17A H -0.3963 0.5052 1.2001 0.061 Uiso 1 1 calc R . . H17B H -0.4538 0.5207 1.2963 0.061 Uiso 1 1 calc R . . C18 C -0.6097(15) 0.5746(10) 1.2081(10) 0.056(3) Uani 1 1 d . . . H18A H -0.6763 0.5114 1.2441 0.067 Uiso 1 1 calc R . . H18B H -0.6019 0.5968 1.1388 0.067 Uiso 1 1 calc R . . C19 C -0.6931(13) 0.6557(9) 1.2387(8) 0.042(3) Uani 1 1 d . . . C20 C -0.7521(16) 0.7411(10) 1.1767(10) 0.054(3) Uani 1 1 d . . . H20A H -0.7507 0.7484 1.1142 0.065 Uiso 1 1 calc R . . C21 C -0.8137(16) 0.8170(10) 1.2041(10) 0.058(3) Uani 1 1 d . . . H21A H -0.8507 0.8752 1.1595 0.069 Uiso 1 1 calc R . . C22 C -0.7726(14) 0.7239(10) 1.3582(9) 0.049(3) Uani 1 1 d . . . H22A H -0.7821 0.7163 1.4217 0.059 Uiso 1 1 calc R . . C23 C -0.7085(15) 0.6471(10) 1.3324(9) 0.056(3) Uani 1 1 d . . . H23A H -0.6750 0.5887 1.3788 0.068 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.0368(5) 0.0392(5) 0.0561(6) -0.0187(4) -0.0029(4) 0.0052(4) Ag2 0.0372(5) 0.0495(5) 0.0346(5) -0.0097(4) 0.0064(4) 0.0004(4) Ag3 0.0430(5) 0.0465(5) 0.0649(6) -0.0167(5) 0.0015(4) 0.0181(4) Ag4 0.0442(5) 0.0380(5) 0.0454(5) -0.0135(4) -0.0074(4) 0.0070(4) Ag5 0.0232(4) 0.0608(5) 0.0326(4) -0.0254(4) -0.0053(3) 0.0021(3) Ag6 0.0364(5) 0.0732(6) 0.0438(5) -0.0367(5) -0.0131(4) 0.0089(4) C1 0.034(6) 0.053(7) 0.026(5) -0.022(5) -0.007(4) 0.006(5) C2 0.030(6) 0.036(6) 0.034(6) -0.007(5) -0.011(4) 0.006(4) O1 0.035(5) 0.064(6) 0.093(7) -0.045(5) -0.006(4) -0.003(4) O2 0.048(5) 0.063(6) 0.119(9) -0.057(6) -0.021(5) 0.006(4) C3 0.036(6) 0.054(7) 0.056(7) -0.032(6) -0.029(5) 0.011(5) C4 0.040(7) 0.062(8) 0.081(10) -0.040(8) -0.022(7) 0.012(6) F11 0.144(11) 0.171(12) 0.241(16) -0.157(13) -0.134(12) 0.118(10) F12 0.127(10) 0.137(10) 0.122(10) -0.078(9) 0.050(8) -0.013(8) F13 0.075(7) 0.100(7) 0.212(13) -0.120(9) -0.017(7) 0.009(5) O3 0.046(5) 0.108(8) 0.052(5) -0.045(6) -0.002(4) -0.008(5) O4 0.038(5) 0.095(7) 0.057(5) -0.049(5) -0.011(4) 0.010(5) C5 0.033(6) 0.056(7) 0.035(6) -0.016(6) 0.000(5) 0.007(5) C6 0.063(10) 0.118(14) 0.046(8) -0.052(9) 0.000(7) 0.007(9) F21 0.096(8) 0.264(16) 0.135(10) -0.146(11) 0.074(8) -0.108(10) F22 0.128(9) 0.172(11) 0.035(5) -0.031(6) -0.008(5) 0.035(8) F23 0.096(8) 0.154(10) 0.095(7) -0.083(8) -0.006(6) 0.050(7) O5 0.034(4) 0.045(5) 0.052(5) -0.013(4) -0.012(4) 0.008(4) O6 0.036(5) 0.049(5) 0.065(6) -0.012(4) -0.003(4) 0.003(4) C7 0.033(6) 0.028(5) 0.055(7) -0.013(5) -0.012(5) 0.002(4) C8 0.044(8) 0.046(8) 0.081(11) -0.014(8) -0.004(7) 0.009(6) F31 0.140(10) 0.060(6) 0.195(13) -0.071(8) -0.066(9) 0.049(6) F32 0.045(5) 0.067(6) 0.199(12) 0.003(7) -0.046(6) 0.013(4) F33 0.112(9) 0.088(7) 0.105(8) 0.020(6) -0.015(7) 0.039(6) O7 0.046(6) 0.066(6) 0.074(7) -0.005(5) -0.015(5) 0.004(5) O8 0.043(5) 0.085(7) 0.053(5) -0.023(5) 0.001(4) -0.002(5) C9 0.041(7) 0.037(6) 0.055(8) -0.007(6) -0.014(6) 0.000(5) C10 0.077(11) 0.085(12) 0.051(9) -0.010(9) -0.014(8) 0.015(9) F41 0.35(3) 0.24(2) 0.164(16) -0.098(15) -0.19(2) 0.18(2) F42 0.145(14) 0.46(4) 0.068(9) 0.055(14) -0.037(9) -0.125(19) F43 0.41(3) 0.125(11) 0.149(13) -0.054(10) -0.191(18) 0.008(15) O9 0.029(4) 0.064(5) 0.039(4) -0.015(4) 0.001(3) 0.000(4) O10 0.042(5) 0.055(5) 0.057(5) -0.029(4) 0.000(4) 0.005(4) N1 0.028(5) 0.045(5) 0.030(5) -0.008(4) 0.000(4) -0.007(4) N2 0.028(5) 0.056(6) 0.049(6) -0.030(5) 0.000(4) 0.001(4) C11 0.042(6) 0.041(6) 0.041(6) -0.011(5) -0.009(5) 0.003(5) C12 0.063(8) 0.050(7) 0.045(7) -0.027(6) -0.017(6) 0.004(6) C13 0.022(5) 0.059(7) 0.044(7) -0.015(6) -0.003(5) -0.001(5) C14 0.058(8) 0.041(7) 0.058(8) -0.010(6) 0.003(6) 0.014(6) C15 0.055(8) 0.045(7) 0.055(8) -0.024(6) 0.002(6) 0.017(6) C16 0.054(8) 0.067(8) 0.044(7) -0.020(6) -0.020(6) 0.012(6) C17 0.054(8) 0.043(7) 0.037(6) -0.008(5) 0.000(5) 0.013(6) C18 0.050(8) 0.051(7) 0.057(8) -0.020(6) 0.000(6) -0.003(6) C19 0.034(6) 0.048(7) 0.034(6) -0.010(5) -0.004(5) -0.001(5) C20 0.059(8) 0.061(8) 0.048(7) -0.031(7) -0.013(6) 0.017(6) C21 0.060(8) 0.057(8) 0.052(8) -0.018(7) -0.018(6) 0.012(6) C22 0.043(7) 0.073(9) 0.038(6) -0.031(6) -0.010(5) 0.013(6) C23 0.050(7) 0.060(8) 0.044(7) -0.011(6) -0.007(6) 0.009(6) _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 O1 2.270(9) . ? Ag1 O8 2.428(10) . ? Ag1 C2 2.459(10) . ? Ag1 C1 2.522(11) . ? Ag1 O5 2.570(8) . ? Ag1 Ag5 3.0778(12) . ? Ag1 Ag2 3.1443(12) . ? Ag1 Ag5 3.2816(13) 2_676 ? Ag1 Ag6 3.3299(14) . ? Ag2 C1 2.120(10) . ? Ag2 O9 2.229(7) . ? Ag2 O7 2.410(9) . ? Ag2 Ag3 2.8753(13) . ? Ag3 C1 2.216(11) . ? Ag3 O5 2.310(8) 2_576 ? Ag3 O10 2.371(8) 2_477 ? Ag3 Ag4 2.9819(13) . ? Ag4 O6 2.274(8) 2_576 ? Ag4 C2 2.286(10) . ? Ag4 O8 2.410(9) 2_676 ? Ag4 Ag6 3.0850(13) . ? Ag4 Ag5 3.2893(12) . ? Ag5 C2 2.315(10) . ? Ag5 O3 2.325(8) . ? Ag5 C1 2.393(11) 2_676 ? Ag5 O2 2.577(9) . ? Ag5 C2 2.654(11) 2_676 ? Ag5 Ag6 2.7845(12) . ? Ag5 Ag5 2.8329(15) 2_676 ? Ag5 Ag1 3.2816(13) 2_676 ? Ag6 C2 2.150(11) . ? Ag6 O4 2.266(8) . ? Ag6 O10 2.338(9) 1_654 ? Ag6 O9 2.528(8) 2_576 ? C1 C2 1.238(14) . ? C1 Ag5 2.393(10) 2_676 ? C2 Ag5 2.654(11) 2_676 ? O1 C3 1.213(13) . ? O2 C3 1.230(14) . ? C3 C4 1.530(17) . ? C4 F11 1.276(17) . ? C4 F13 1.290(15) . ? C4 F12 1.310(17) . ? O3 C5 1.233(15) . ? O4 C5 1.214(14) . ? C5 C6 1.536(16) . ? C6 F22 1.297(18) . ? C6 F23 1.299(19) . ? C6 F21 1.304(18) . ? O5 C7 1.235(13) . ? O5 Ag3 2.310(8) 2_576 ? O6 C7 1.238(13) . ? O6 Ag4 2.274(8) 2_576 ? C7 C8 1.533(17) . ? C8 F32 1.288(16) . ? C8 F31 1.303(18) . ? C8 F33 1.319(18) . ? O7 C9 1.212(14) . ? O8 C9 1.248(15) . ? O8 Ag4 2.410(9) 2_676 ? C9 C10 1.50(2) . ? C10 F42 1.22(2) . ? C10 F43 1.24(2) . ? C10 F41 1.27(2) . ? O9 N1 1.358(11) . ? O9 Ag6 2.528(8) 2_576 ? O10 N2 1.321(12) . ? O10 Ag6 2.338(9) 1_456 ? O10 Ag3 2.371(8) 2_477 ? N1 C15 1.328(14) . ? N1 C11 1.341(14) . ? N2 C22 1.315(15) . ? N2 C21 1.342(16) . ? C11 C12 1.380(16) . ? C12 C13 1.398(17) . ? C13 C14 1.362(17) . ? C13 C16 1.494(16) . ? C14 C15 1.376(18) . ? C16 C17 1.519(18) . ? C17 C18 1.506(18) . ? C18 C19 1.526(17) . ? C19 C20 1.361(17) . ? C19 C23 1.383(17) . ? C20 C21 1.374(17) . ? C22 C23 1.379(18) . ? 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 O1 Ag1 O8 99.6(4) . . ? O1 Ag1 C2 122.5(4) . . ? O8 Ag1 C2 119.7(4) . . ? O1 Ag1 C1 151.0(3) . . ? O8 Ag1 C1 102.8(3) . . ? C2 Ag1 C1 28.7(3) . . ? O1 Ag1 O5 94.9(3) . . ? O8 Ag1 O5 117.4(3) . . ? C2 Ag1 O5 101.0(3) . . ? C1 Ag1 O5 90.8(3) . . ? O1 Ag1 Ag5 87.5(2) . . ? O8 Ag1 Ag5 100.5(2) . . ? C2 Ag1 Ag5 47.8(2) . . ? C1 Ag1 Ag5 70.6(2) . . ? O5 Ag1 Ag5 140.90(18) . . ? O1 Ag1 Ag2 163.4(2) . . ? O8 Ag1 Ag2 79.4(2) . . ? C2 Ag1 Ag2 70.7(2) . . ? C1 Ag1 Ag2 42.2(2) . . ? O5 Ag1 Ag2 71.41(18) . . ? Ag5 Ag1 Ag2 108.99(3) . . ? O1 Ag1 Ag5 131.5(2) . 2_676 ? O8 Ag1 Ag5 67.2(2) . 2_676 ? C2 Ag1 Ag5 52.7(3) . 2_676 ? C1 Ag1 Ag5 46.4(2) . 2_676 ? O5 Ag1 Ag5 133.15(18) . 2_676 ? Ag5 Ag1 Ag5 52.79(3) . 2_676 ? Ag2 Ag1 Ag5 63.63(3) . 2_676 ? O1 Ag1 Ag6 85.6(3) . . ? O8 Ag1 Ag6 151.4(2) . . ? C2 Ag1 Ag6 40.2(3) . . ? C1 Ag1 Ag6 65.9(2) . . ? O5 Ag1 Ag6 89.87(18) . . ? Ag5 Ag1 Ag6 51.33(3) . . ? Ag2 Ag1 Ag6 103.26(3) . . ? Ag5 Ag1 Ag6 88.11(3) 2_676 . ? C1 Ag2 O9 148.5(4) . . ? C1 Ag2 O7 116.5(4) . . ? O9 Ag2 O7 92.7(3) . . ? C1 Ag2 Ag3 49.9(3) . . ? O9 Ag2 Ag3 105.4(2) . . ? O7 Ag2 Ag3 157.6(2) . . ? C1 Ag2 Ag1 53.0(3) . . ? O9 Ag2 Ag1 141.8(2) . . ? O7 Ag2 Ag1 68.0(3) . . ? Ag3 Ag2 Ag1 102.84(3) . . ? C1 Ag3 O5 136.4(3) . 2_576 ? C1 Ag3 O10 126.1(3) . 2_477 ? O5 Ag3 O10 96.0(3) 2_576 2_477 ? C1 Ag3 Ag2 47.0(3) . . ? O5 Ag3 Ag2 156.7(2) 2_576 . ? O10 Ag3 Ag2 80.2(2) 2_477 . ? C1 Ag3 Ag4 65.5(3) . . ? O5 Ag3 Ag4 77.4(2) 2_576 . ? O10 Ag3 Ag4 161.9(2) 2_477 . ? Ag2 Ag3 Ag4 112.48(4) . . ? O6 Ag4 C2 146.7(3) 2_576 . ? O6 Ag4 O8 100.8(3) 2_576 2_676 ? C2 Ag4 O8 111.7(4) . 2_676 ? O6 Ag4 Ag3 82.2(2) 2_576 . ? C2 Ag4 Ag3 68.3(3) . . ? O8 Ag4 Ag3 140.1(2) 2_676 . ? O6 Ag4 Ag6 136.8(3) 2_576 . ? C2 Ag4 Ag6 44.2(3) . . ? O8 Ag4 Ag6 101.4(2) 2_676 . ? Ag3 Ag4 Ag6 102.87(4) . . ? O6 Ag4 Ag5 167.8(2) 2_576 . ? C2 Ag4 Ag5 44.7(3) . . ? O8 Ag4 Ag5 67.2(2) 2_676 . ? Ag3 Ag4 Ag5 105.41(3) . . ? Ag6 Ag4 Ag5 51.68(3) . . ? C2 Ag5 O3 123.1(4) . . ? C2 Ag5 C1 137.4(4) . 2_676 ? O3 Ag5 C1 95.2(3) . 2_676 ? C2 Ag5 O2 115.9(3) . . ? O3 Ag5 O2 87.0(4) . . ? C1 Ag5 O2 80.6(3) 2_676 . ? C2 Ag5 C2 110.9(3) . 2_676 ? O3 Ag5 C2 122.9(3) . 2_676 ? C1 Ag5 C2 27.8(3) 2_676 2_676 ? O2 Ag5 C2 85.3(3) . 2_676 ? C2 Ag5 Ag6 48.8(3) . . ? O3 Ag5 Ag6 77.1(2) . . ? C1 Ag5 Ag6 171.8(2) 2_676 . ? O2 Ag5 Ag6 101.3(2) . . ? C2 Ag5 Ag6 159.6(2) 2_676 . ? C2 Ag5 Ag5 61.1(3) . 2_676 ? O3 Ag5 Ag5 162.8(3) . 2_676 ? C1 Ag5 Ag5 76.9(2) 2_676 2_676 ? O2 Ag5 Ag5 106.3(3) . 2_676 ? C2 Ag5 Ag5 49.8(2) 2_676 2_676 ? Ag6 Ag5 Ag5 109.86(4) . 2_676 ? C2 Ag5 Ag1 51.9(3) . . ? O3 Ag5 Ag1 129.4(3) . . ? C1 Ag5 Ag1 118.6(3) 2_676 . ? O2 Ag5 Ag1 65.0(2) . . ? C2 Ag5 Ag1 97.2(2) 2_676 . ? Ag6 Ag5 Ag1 69.02(3) . . ? Ag5 Ag5 Ag1 67.30(4) 2_676 . ? C2 Ag5 Ag1 99.3(3) . 2_676 ? O3 Ag5 Ag1 103.3(3) . 2_676 ? C1 Ag5 Ag1 49.8(3) 2_676 2_676 ? O2 Ag5 Ag1 129.7(2) . 2_676 ? C2 Ag5 Ag1 47.5(2) 2_676 2_676 ? Ag6 Ag5 Ag1 128.98(4) . 2_676 ? Ag5 Ag5 Ag1 59.91(3) 2_676 2_676 ? Ag1 Ag5 Ag1 127.21(3) . 2_676 ? C2 Ag5 Ag4 44.0(3) . . ? O3 Ag5 Ag4 98.8(3) . . ? C1 Ag5 Ag4 119.2(3) 2_676 . ? O2 Ag5 Ag4 158.4(2) . . ? C2 Ag5 Ag4 108.2(2) 2_676 . ? Ag6 Ag5 Ag4 60.37(3) . . ? Ag5 Ag5 Ag4 72.84(4) 2_676 . ? Ag1 Ag5 Ag4 95.93(3) . . ? Ag1 Ag5 Ag4 69.42(3) 2_676 . ? C2 Ag6 O4 140.9(4) . . ? C2 Ag6 O10 114.8(3) . 1_654 ? O4 Ag6 O10 100.7(3) . 1_654 ? C2 Ag6 O9 96.1(3) . 2_576 ? O4 Ag6 O9 101.7(3) . 2_576 ? O10 Ag6 O9 86.7(3) 1_654 2_576 ? C2 Ag6 Ag5 54.1(3) . . ? O4 Ag6 Ag5 87.0(2) . . ? O10 Ag6 Ag5 150.3(2) 1_654 . ? O9 Ag6 Ag5 120.1(2) 2_576 . ? C2 Ag6 Ag4 47.8(3) . . ? O4 Ag6 Ag4 119.2(3) . . ? O10 Ag6 Ag4 128.53(19) 1_654 . ? O9 Ag6 Ag4 56.1(2) 2_576 . ? Ag5 Ag6 Ag4 67.95(3) . . ? C2 Ag6 Ag1 47.6(3) . . ? O4 Ag6 Ag1 119.1(2) . . ? O10 Ag6 Ag1 92.1(2) 1_654 . ? O9 Ag6 Ag1 138.58(17) 2_576 . ? Ag5 Ag6 Ag1 59.65(3) . . ? Ag4 Ag6 Ag1 94.97(3) . . ? C2 C1 Ag2 156.4(9) . . ? C2 C1 Ag3 118.6(8) . . ? Ag2 C1 Ag3 83.0(3) . . ? C2 C1 Ag5 87.9(7) . 2_676 ? Ag2 C1 Ag5 97.2(4) . 2_676 ? Ag3 C1 Ag5 102.0(4) . 2_676 ? C2 C1 Ag1 72.8(7) . . ? Ag2 C1 Ag1 84.8(4) . . ? Ag3 C1 Ag1 167.1(5) . . ? Ag5 C1 Ag1 83.7(3) 2_676 . ? C1 C2 Ag6 146.6(9) . . ? C1 C2 Ag4 105.9(8) . . ? Ag6 C2 Ag4 88.0(4) . . ? C1 C2 Ag5 131.3(8) . . ? Ag6 C2 Ag5 77.0(3) . . ? Ag4 C2 Ag5 91.2(4) . . ? C1 C2 Ag1 78.5(7) . . ? Ag6 C2 Ag1 92.3(4) . . ? Ag4 C2 Ag1 171.2(5) . . ? Ag5 C2 Ag1 80.2(3) . . ? C1 C2 Ag5 64.3(7) . 2_676 ? Ag6 C2 Ag5 146.1(5) . 2_676 ? Ag4 C2 Ag5 95.1(4) . 2_676 ? Ag5 C2 Ag5 69.1(3) . 2_676 ? Ag1 C2 Ag5 79.8(3) . 2_676 ? C3 O1 Ag1 113.0(7) . . ? C3 O2 Ag5 124.8(8) . . ? O1 C3 O2 127.7(11) . . ? O1 C3 C4 117.5(10) . . ? O2 C3 C4 114.8(11) . . ? F11 C4 F13 107.2(14) . . ? F11 C4 F12 105.7(14) . . ? F13 C4 F12 105.3(13) . . ? F11 C4 C3 112.1(12) . . ? F13 C4 C3 113.6(11) . . ? F12 C4 C3 112.4(12) . . ? C5 O3 Ag5 124.2(8) . . ? C5 O4 Ag6 115.4(7) . . ? O4 C5 O3 130.9(11) . . ? O4 C5 C6 114.6(12) . . ? O3 C5 C6 114.4(11) . . ? F22 C6 F23 104.0(13) . . ? F22 C6 F21 109.2(16) . . ? F23 C6 F21 104.7(15) . . ? F22 C6 C5 112.9(13) . . ? F23 C6 C5 112.4(14) . . ? F21 C6 C5 112.9(12) . . ? C7 O5 Ag3 125.4(7) . 2_576 ? C7 O5 Ag1 124.2(7) . . ? Ag3 O5 Ag1 99.1(3) 2_576 . ? C7 O6 Ag4 120.9(7) . 2_576 ? O5 C7 O6 129.5(10) . . ? O5 C7 C8 114.9(10) . . ? O6 C7 C8 115.6(10) . . ? F32 C8 F31 107.9(13) . . ? F32 C8 F33 107.4(15) . . ? F31 C8 F33 104.7(13) . . ? F32 C8 C7 113.4(11) . . ? F31 C8 C7 110.1(13) . . ? F33 C8 C7 112.9(11) . . ? C9 O7 Ag2 122.1(8) . . ? C9 O8 Ag4 143.7(9) . 2_676 ? C9 O8 Ag1 111.4(8) . . ? Ag4 O8 Ag1 101.3(3) 2_676 . ? O7 C9 O8 127.8(13) . . ? O7 C9 C10 117.6(13) . . ? O8 C9 C10 114.6(12) . . ? F42 C10 F43 107(2) . . ? F42 C10 F41 98(2) . . ? F43 C10 F41 101(2) . . ? F42 C10 C9 114.6(17) . . ? F43 C10 C9 117.1(15) . . ? F41 C10 C9 116.1(16) . . ? N1 O9 Ag2 122.0(6) . . ? N1 O9 Ag6 127.7(6) . 2_576 ? Ag2 O9 Ag6 98.8(3) . 2_576 ? N2 O10 Ag6 113.6(6) . 1_456 ? N2 O10 Ag3 130.6(7) . 2_477 ? Ag6 O10 Ag3 93.5(3) 1_456 2_477 ? C15 N1 C11 121.7(10) . . ? C15 N1 O9 120.9(9) . . ? C11 N1 O9 117.2(9) . . ? C22 N2 O10 121.7(10) . . ? C22 N2 C21 119.4(10) . . ? O10 N2 C21 118.9(10) . . ? N1 C11 C12 119.2(11) . . ? C11 C12 C13 120.8(11) . . ? C14 C13 C12 116.6(11) . . ? C14 C13 C16 121.6(12) . . ? C12 C13 C16 121.8(11) . . ? C13 C14 C15 121.9(12) . . ? N1 C15 C14 119.7(11) . . ? C13 C16 C17 114.0(11) . . ? C18 C17 C16 116.1(10) . . ? C17 C18 C19 113.8(11) . . ? C20 C19 C23 115.9(11) . . ? C20 C19 C18 123.3(11) . . ? C23 C19 C18 120.8(11) . . ? C19 C20 C21 121.7(12) . . ? N2 C21 C20 120.6(12) . . ? N2 C22 C23 121.2(11) . . ? C22 C23 C19 121.0(12) . . ? 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 O1 Ag1 Ag2 C1 -149.0(10) . . . . ? O8 Ag1 Ag2 C1 123.0(4) . . . . ? C2 Ag1 Ag2 C1 -3.9(4) . . . . ? O5 Ag1 Ag2 C1 -113.2(4) . . . . ? Ag5 Ag1 Ag2 C1 25.4(4) . . . . ? Ag5 Ag1 Ag2 C1 53.3(4) 2_676 . . . ? Ag6 Ag1 Ag2 C1 -27.9(4) . . . . ? O1 Ag1 Ag2 O9 -8.7(10) . . . . ? O8 Ag1 Ag2 O9 -96.7(4) . . . . ? C2 Ag1 Ag2 O9 136.4(4) . . . . ? C1 Ag1 Ag2 O9 140.3(5) . . . . ? O5 Ag1 Ag2 O9 27.1(4) . . . . ? Ag5 Ag1 Ag2 O9 165.7(3) . . . . ? Ag5 Ag1 Ag2 O9 -166.5(3) 2_676 . . . ? Ag6 Ag1 Ag2 O9 112.4(3) . . . . ? O1 Ag1 Ag2 O7 55.7(10) . . . . ? O8 Ag1 Ag2 O7 -32.3(4) . . . . ? C2 Ag1 Ag2 O7 -159.1(4) . . . . ? C1 Ag1 Ag2 O7 -155.2(4) . . . . ? O5 Ag1 Ag2 O7 91.6(3) . . . . ? Ag5 Ag1 Ag2 O7 -129.8(3) . . . . ? Ag5 Ag1 Ag2 O7 -102.0(3) 2_676 . . . ? Ag6 Ag1 Ag2 O7 176.9(3) . . . . ? O1 Ag1 Ag2 Ag3 -145.7(9) . . . . ? O8 Ag1 Ag2 Ag3 126.3(2) . . . . ? C2 Ag1 Ag2 Ag3 -0.5(3) . . . . ? C1 Ag1 Ag2 Ag3 3.4(4) . . . . ? O5 Ag1 Ag2 Ag3 -109.82(19) . . . . ? Ag5 Ag1 Ag2 Ag3 28.79(5) . . . . ? Ag5 Ag1 Ag2 Ag3 56.60(4) 2_676 . . . ? Ag6 Ag1 Ag2 Ag3 -24.50(5) . . . . ? O9 Ag2 Ag3 C1 -157.5(4) . . . . ? O7 Ag2 Ag3 C1 59.3(8) . . . . ? Ag1 Ag2 Ag3 C1 -3.5(4) . . . . ? C1 Ag2 Ag3 O5 109.8(6) . . . 2_576 ? O9 Ag2 Ag3 O5 -47.7(6) . . . 2_576 ? O7 Ag2 Ag3 O5 169.0(9) . . . 2_576 ? Ag1 Ag2 Ag3 O5 106.3(5) . . . 2_576 ? C1 Ag2 Ag3 O10 -168.0(4) . . . 2_477 ? O9 Ag2 Ag3 O10 34.5(3) . . . 2_477 ? O7 Ag2 Ag3 O10 -108.7(7) . . . 2_477 ? Ag1 Ag2 Ag3 O10 -171.5(2) . . . 2_477 ? C1 Ag2 Ag3 Ag4 -1.6(4) . . . . ? O9 Ag2 Ag3 Ag4 -159.1(2) . . . . ? O7 Ag2 Ag3 Ag4 57.7(7) . . . . ? Ag1 Ag2 Ag3 Ag4 -5.07(6) . . . . ? C1 Ag3 Ag4 O6 170.3(4) . . . 2_576 ? O5 Ag3 Ag4 O6 13.7(3) 2_576 . . 2_576 ? O10 Ag3 Ag4 O6 -56.5(7) 2_477 . . 2_576 ? Ag2 Ag3 Ag4 O6 171.5(2) . . . 2_576 ? C1 Ag3 Ag4 C2 6.0(4) . . . . ? O5 Ag3 Ag4 C2 -150.6(4) 2_576 . . . ? O10 Ag3 Ag4 C2 139.2(8) 2_477 . . . ? Ag2 Ag3 Ag4 C2 7.2(3) . . . . ? C1 Ag3 Ag4 O8 -92.2(5) . . . 2_676 ? O5 Ag3 Ag4 O8 111.2(4) 2_576 . . 2_676 ? O10 Ag3 Ag4 O8 41.0(8) 2_477 . . 2_676 ? Ag2 Ag3 Ag4 O8 -91.0(4) . . . 2_676 ? C1 Ag3 Ag4 Ag6 33.9(3) . . . . ? O5 Ag3 Ag4 Ag6 -122.6(2) 2_576 . . . ? O10 Ag3 Ag4 Ag6 167.2(7) 2_477 . . . ? Ag2 Ag3 Ag4 Ag6 35.19(6) . . . . ? C1 Ag3 Ag4 Ag5 -19.4(3) . . . . ? O5 Ag3 Ag4 Ag5 -176.0(2) 2_576 . . . ? O10 Ag3 Ag4 Ag5 113.8(7) 2_477 . . . ? Ag2 Ag3 Ag4 Ag5 -18.17(6) . . . . ? O1 Ag1 Ag5 C2 139.9(4) . . . . ? O8 Ag1 Ag5 C2 -120.8(4) . . . . ? C1 Ag1 Ag5 C2 -20.8(4) . . . . ? O5 Ag1 Ag5 C2 45.1(4) . . . . ? Ag2 Ag1 Ag5 C2 -38.6(3) . . . . ? Ag5 Ag1 Ag5 C2 -70.2(3) 2_676 . . . ? Ag6 Ag1 Ag5 C2 53.5(3) . . . . ? O1 Ag1 Ag5 O3 35.0(4) . . . . ? O8 Ag1 Ag5 O3 134.3(4) . . . . ? C2 Ag1 Ag5 O3 -104.8(5) . . . . ? C1 Ag1 Ag5 O3 -125.6(4) . . . . ? O5 Ag1 Ag5 O3 -59.8(4) . . . . ? Ag2 Ag1 Ag5 O3 -143.4(3) . . . . ? Ag5 Ag1 Ag5 O3 -175.1(3) 2_676 . . . ? Ag6 Ag1 Ag5 O3 -51.4(3) . . . . ? O1 Ag1 Ag5 C1 -90.5(4) . . . 2_676 ? O8 Ag1 Ag5 C1 8.9(4) . . . 2_676 ? C2 Ag1 Ag5 C1 129.7(4) . . . 2_676 ? C1 Ag1 Ag5 C1 108.9(3) . . . 2_676 ? O5 Ag1 Ag5 C1 174.7(4) . . . 2_676 ? Ag2 Ag1 Ag5 C1 91.1(3) . . . 2_676 ? Ag5 Ag1 Ag5 C1 59.4(3) 2_676 . . 2_676 ? Ag6 Ag1 Ag5 C1 -176.9(3) . . . 2_676 ? O1 Ag1 Ag5 O2 -27.8(4) . . . . ? O8 Ag1 Ag5 O2 71.5(4) . . . . ? C2 Ag1 Ag5 O2 -167.7(4) . . . . ? C1 Ag1 Ag5 O2 171.5(4) . . . . ? O5 Ag1 Ag5 O2 -122.6(4) . . . . ? Ag2 Ag1 Ag5 O2 153.7(3) . . . . ? Ag5 Ag1 Ag5 O2 122.1(3) 2_676 . . . ? Ag6 Ag1 Ag5 O2 -114.2(3) . . . . ? O1 Ag1 Ag5 C2 -109.2(3) . . . 2_676 ? O8 Ag1 Ag5 C2 -9.9(3) . . . 2_676 ? C2 Ag1 Ag5 C2 110.9(3) . . . 2_676 ? C1 Ag1 Ag5 C2 90.1(3) . . . 2_676 ? O5 Ag1 Ag5 C2 156.0(4) . . . 2_676 ? Ag2 Ag1 Ag5 C2 72.3(2) . . . 2_676 ? Ag5 Ag1 Ag5 C2 40.7(2) 2_676 . . 2_676 ? Ag6 Ag1 Ag5 C2 164.4(2) . . . 2_676 ? O1 Ag1 Ag5 Ag6 86.4(3) . . . . ? O8 Ag1 Ag5 Ag6 -174.3(2) . . . . ? C2 Ag1 Ag5 Ag6 -53.5(3) . . . . ? C1 Ag1 Ag5 Ag6 -74.2(2) . . . . ? O5 Ag1 Ag5 Ag6 -8.4(3) . . . . ? Ag2 Ag1 Ag5 Ag6 -92.02(4) . . . . ? Ag5 Ag1 Ag5 Ag6 -123.69(4) 2_676 . . . ? O1 Ag1 Ag5 Ag5 -149.9(3) . . . 2_676 ? O8 Ag1 Ag5 Ag5 -50.6(2) . . . 2_676 ? C2 Ag1 Ag5 Ag5 70.2(3) . . . 2_676 ? C1 Ag1 Ag5 Ag5 49.5(2) . . . 2_676 ? O5 Ag1 Ag5 Ag5 115.3(3) . . . 2_676 ? Ag2 Ag1 Ag5 Ag5 31.67(4) . . . 2_676 ? Ag6 Ag1 Ag5 Ag5 123.69(4) . . . 2_676 ? O1 Ag1 Ag5 Ag1 -149.9(3) . . . 2_676 ? O8 Ag1 Ag5 Ag1 -50.6(2) . . . 2_676 ? C2 Ag1 Ag5 Ag1 70.2(3) . . . 2_676 ? C1 Ag1 Ag5 Ag1 49.5(2) . . . 2_676 ? O5 Ag1 Ag5 Ag1 115.3(3) . . . 2_676 ? Ag2 Ag1 Ag5 Ag1 31.67(4) . . . 2_676 ? Ag5 Ag1 Ag5 Ag1 0.0 2_676 . . 2_676 ? Ag6 Ag1 Ag5 Ag1 123.69(4) . . . 2_676 ? O1 Ag1 Ag5 Ag4 141.5(3) . . . . ? O8 Ag1 Ag5 Ag4 -119.2(2) . . . . ? C2 Ag1 Ag5 Ag4 1.6(3) . . . . ? C1 Ag1 Ag5 Ag4 -19.1(2) . . . . ? O5 Ag1 Ag5 Ag4 46.7(3) . . . . ? Ag2 Ag1 Ag5 Ag4 -36.93(4) . . . . ? Ag5 Ag1 Ag5 Ag4 -68.60(3) 2_676 . . . ? Ag6 Ag1 Ag5 Ag4 55.10(3) . . . . ? O6 Ag4 Ag5 C2 162.2(12) 2_576 . . . ? O8 Ag4 Ag5 C2 172.8(5) 2_676 . . . ? Ag3 Ag4 Ag5 C2 34.5(4) . . . . ? Ag6 Ag4 Ag5 C2 -59.9(4) . . . . ? O6 Ag4 Ag5 O3 -68.3(12) 2_576 . . . ? C2 Ag4 Ag5 O3 129.5(5) . . . . ? O8 Ag4 Ag5 O3 -57.6(3) 2_676 . . . ? Ag3 Ag4 Ag5 O3 164.0(2) . . . . ? Ag6 Ag4 Ag5 O3 69.6(2) . . . . ? O6 Ag4 Ag5 C1 32.7(12) 2_576 . . 2_676 ? C2 Ag4 Ag5 C1 -129.5(5) . . . 2_676 ? O8 Ag4 Ag5 C1 43.4(4) 2_676 . . 2_676 ? Ag3 Ag4 Ag5 C1 -95.0(3) . . . 2_676 ? Ag6 Ag4 Ag5 C1 170.6(3) . . . 2_676 ? O6 Ag4 Ag5 O2 -172.6(13) 2_576 . . . ? C2 Ag4 Ag5 O2 25.2(8) . . . . ? O8 Ag4 Ag5 O2 -161.9(7) 2_676 . . . ? Ag3 Ag4 Ag5 O2 59.7(7) . . . . ? Ag6 Ag4 Ag5 O2 -34.7(7) . . . . ? O6 Ag4 Ag5 C2 60.7(12) 2_576 . . 2_676 ? C2 Ag4 Ag5 C2 -101.5(4) . . . 2_676 ? O8 Ag4 Ag5 C2 71.3(3) 2_676 . . 2_676 ? Ag3 Ag4 Ag5 C2 -67.0(2) . . . 2_676 ? Ag6 Ag4 Ag5 C2 -161.4(2) . . . 2_676 ? O6 Ag4 Ag5 Ag6 -137.9(12) 2_576 . . . ? C2 Ag4 Ag5 Ag6 59.9(4) . . . . ? O8 Ag4 Ag5 Ag6 -127.3(3) 2_676 . . . ? Ag3 Ag4 Ag5 Ag6 94.39(4) . . . . ? O6 Ag4 Ag5 Ag5 96.3(12) 2_576 . . 2_676 ? C2 Ag4 Ag5 Ag5 -65.9(4) . . . 2_676 ? O8 Ag4 Ag5 Ag5 107.0(3) 2_676 . . 2_676 ? Ag3 Ag4 Ag5 Ag5 -31.38(5) . . . 2_676 ? Ag6 Ag4 Ag5 Ag5 -125.77(5) . . . 2_676 ? O6 Ag4 Ag5 Ag1 160.3(12) 2_576 . . . ? C2 Ag4 Ag5 Ag1 -1.9(4) . . . . ? O8 Ag4 Ag5 Ag1 171.0(3) 2_676 . . . ? Ag3 Ag4 Ag5 Ag1 32.64(4) . . . . ? Ag6 Ag4 Ag5 Ag1 -61.75(3) . . . . ? O6 Ag4 Ag5 Ag1 32.7(12) 2_576 . . 2_676 ? C2 Ag4 Ag5 Ag1 -129.5(4) . . . 2_676 ? O8 Ag4 Ag5 Ag1 43.3(2) 2_676 . . 2_676 ? Ag3 Ag4 Ag5 Ag1 -94.98(4) . . . 2_676 ? Ag6 Ag4 Ag5 Ag1 170.63(4) . . . 2_676 ? O3 Ag5 Ag6 C2 -161.1(4) . . . . ? C1 Ag5 Ag6 C2 -142.5(19) 2_676 . . . ? O2 Ag5 Ag6 C2 114.6(4) . . . . ? C2 Ag5 Ag6 C2 7.2(10) 2_676 . . . ? Ag5 Ag5 Ag6 C2 2.5(3) 2_676 . . . ? Ag1 Ag5 Ag6 C2 57.2(3) . . . . ? Ag1 Ag5 Ag6 C2 -64.3(3) 2_676 . . . ? Ag4 Ag5 Ag6 C2 -53.0(3) . . . . ? C2 Ag5 Ag6 O4 176.3(4) . . . . ? O3 Ag5 Ag6 O4 15.2(4) . . . . ? C1 Ag5 Ag6 O4 33.7(18) 2_676 . . . ? O2 Ag5 Ag6 O4 -69.1(3) . . . . ? C2 Ag5 Ag6 O4 -176.5(7) 2_676 . . . ? Ag5 Ag5 Ag6 O4 178.8(3) 2_676 . . . ? Ag1 Ag5 Ag6 O4 -126.5(3) . . . . ? Ag1 Ag5 Ag6 O4 112.0(3) 2_676 . . . ? Ag4 Ag5 Ag6 O4 123.3(3) . . . . ? C2 Ag5 Ag6 O10 -77.2(5) . . . 1_654 ? O3 Ag5 Ag6 O10 121.7(5) . . . 1_654 ? C1 Ag5 Ag6 O10 140.2(18) 2_676 . . 1_654 ? O2 Ag5 Ag6 O10 37.4(5) . . . 1_654 ? C2 Ag5 Ag6 O10 -70.0(7) 2_676 . . 1_654 ? Ag5 Ag5 Ag6 O10 -74.7(4) 2_676 . . 1_654 ? Ag1 Ag5 Ag6 O10 -20.0(4) . . . 1_654 ? Ag1 Ag5 Ag6 O10 -141.6(4) 2_676 . . 1_654 ? Ag4 Ag5 Ag6 O10 -130.3(4) . . . 1_654 ? C2 Ag5 Ag6 O9 74.5(4) . . . 2_576 ? O3 Ag5 Ag6 O9 -86.6(3) . . . 2_576 ? C1 Ag5 Ag6 O9 -68.0(18) 2_676 . . 2_576 ? O2 Ag5 Ag6 O9 -170.9(3) . . . 2_576 ? C2 Ag5 Ag6 O9 81.7(7) 2_676 . . 2_576 ? Ag5 Ag5 Ag6 O9 77.0(2) 2_676 . . 2_576 ? Ag1 Ag5 Ag6 O9 131.70(19) . . . 2_576 ? Ag1 Ag5 Ag6 O9 10.2(2) 2_676 . . 2_576 ? Ag4 Ag5 Ag6 O9 21.49(19) . . . 2_576 ? C2 Ag5 Ag6 Ag4 53.0(3) . . . . ? O3 Ag5 Ag6 Ag4 -108.1(3) . . . . ? C1 Ag5 Ag6 Ag4 -89.5(18) 2_676 . . . ? O2 Ag5 Ag6 Ag4 167.7(2) . . . . ? C2 Ag5 Ag6 Ag4 60.2(6) 2_676 . . . ? Ag5 Ag5 Ag6 Ag4 55.52(5) 2_676 . . . ? Ag1 Ag5 Ag6 Ag4 110.21(3) . . . . ? Ag1 Ag5 Ag6 Ag4 -11.31(4) 2_676 . . . ? C2 Ag5 Ag6 Ag1 -57.2(3) . . . . ? O3 Ag5 Ag6 Ag1 141.7(3) . . . . ? C1 Ag5 Ag6 Ag1 160.3(18) 2_676 . . . ? O2 Ag5 Ag6 Ag1 57.4(2) . . . . ? C2 Ag5 Ag6 Ag1 -50.0(6) 2_676 . . . ? Ag5 Ag5 Ag6 Ag1 -54.70(4) 2_676 . . . ? Ag1 Ag5 Ag6 Ag1 -121.52(4) 2_676 . . . ? Ag4 Ag5 Ag6 Ag1 -110.21(3) . . . . ? O6 Ag4 Ag6 C2 -131.0(5) 2_576 . . . ? O8 Ag4 Ag6 C2 109.4(4) 2_676 . . . ? Ag3 Ag4 Ag6 C2 -38.7(4) . . . . ? Ag5 Ag4 Ag6 C2 60.9(4) . . . . ? O6 Ag4 Ag6 O4 95.0(4) 2_576 . . . ? C2 Ag4 Ag6 O4 -134.0(4) . . . . ? O8 Ag4 Ag6 O4 -24.6(4) 2_676 . . . ? Ag3 Ag4 Ag6 O4 -172.6(3) . . . . ? Ag5 Ag4 Ag6 O4 -73.0(3) . . . . ? O6 Ag4 Ag6 O10 -40.8(4) 2_576 . . 1_654 ? C2 Ag4 Ag6 O10 90.2(5) . . . 1_654 ? O8 Ag4 Ag6 O10 -160.4(4) 2_676 . . 1_654 ? Ag3 Ag4 Ag6 O10 51.5(3) . . . 1_654 ? Ag5 Ag4 Ag6 O10 151.1(3) . . . 1_654 ? O6 Ag4 Ag6 O9 10.5(4) 2_576 . . 2_576 ? C2 Ag4 Ag6 O9 141.5(4) . . . 2_576 ? O8 Ag4 Ag6 O9 -109.1(3) 2_676 . . 2_576 ? Ag3 Ag4 Ag6 O9 102.9(2) . . . 2_576 ? Ag5 Ag4 Ag6 O9 -157.5(2) . . . 2_576 ? O6 Ag4 Ag6 Ag5 168.1(3) 2_576 . . . ? C2 Ag4 Ag6 Ag5 -60.9(4) . . . . ? O8 Ag4 Ag6 Ag5 48.5(2) 2_676 . . . ? Ag3 Ag4 Ag6 Ag5 -99.61(4) . . . . ? O6 Ag4 Ag6 Ag1 -137.5(3) 2_576 . . . ? C2 Ag4 Ag6 Ag1 -6.5(4) . . . . ? O8 Ag4 Ag6 Ag1 102.9(2) 2_676 . . . ? Ag3 Ag4 Ag6 Ag1 -45.22(4) . . . . ? Ag5 Ag4 Ag6 Ag1 54.38(3) . . . . ? O1 Ag1 Ag6 C2 -157.7(4) . . . . ? O8 Ag1 Ag6 C2 -55.6(6) . . . . ? C1 Ag1 Ag6 C2 16.4(5) . . . . ? O5 Ag1 Ag6 C2 107.3(4) . . . . ? Ag5 Ag1 Ag6 C2 -67.4(4) . . . . ? Ag2 Ag1 Ag6 C2 36.5(4) . . . . ? Ag5 Ag1 Ag6 C2 -25.9(4) 2_676 . . . ? O1 Ag1 Ag6 O4 -23.6(3) . . . . ? O8 Ag1 Ag6 O4 78.5(5) . . . . ? C2 Ag1 Ag6 O4 134.1(5) . . . . ? C1 Ag1 Ag6 O4 150.5(4) . . . . ? O5 Ag1 Ag6 O4 -118.6(3) . . . . ? Ag5 Ag1 Ag6 O4 66.7(3) . . . . ? Ag2 Ag1 Ag6 O4 170.5(3) . . . . ? Ag5 Ag1 Ag6 O4 108.2(3) 2_676 . . . ? O1 Ag1 Ag6 O10 79.9(3) . . . 1_654 ? O8 Ag1 Ag6 O10 -178.0(5) . . . 1_654 ? C2 Ag1 Ag6 O10 -122.4(4) . . . 1_654 ? C1 Ag1 Ag6 O10 -106.0(3) . . . 1_654 ? O5 Ag1 Ag6 O10 -15.1(3) . . . 1_654 ? Ag5 Ag1 Ag6 O10 170.22(19) . . . 1_654 ? Ag2 Ag1 Ag6 O10 -85.92(19) . . . 1_654 ? Ag5 Ag1 Ag6 O10 -148.26(19) 2_676 . . 1_654 ? O1 Ag1 Ag6 O9 167.3(4) . . . 2_576 ? O8 Ag1 Ag6 O9 -90.5(5) . . . 2_576 ? C2 Ag1 Ag6 O9 -35.0(5) . . . 2_576 ? C1 Ag1 Ag6 O9 -18.6(4) . . . 2_576 ? O5 Ag1 Ag6 O9 72.4(3) . . . 2_576 ? Ag5 Ag1 Ag6 O9 -102.3(3) . . . 2_576 ? Ag2 Ag1 Ag6 O9 1.5(3) . . . 2_576 ? Ag5 Ag1 Ag6 O9 -60.8(3) 2_676 . . 2_576 ? O1 Ag1 Ag6 Ag5 -90.3(2) . . . . ? O8 Ag1 Ag6 Ag5 11.8(5) . . . . ? C2 Ag1 Ag6 Ag5 67.4(4) . . . . ? C1 Ag1 Ag6 Ag5 83.8(3) . . . . ? O5 Ag1 Ag6 Ag5 174.71(18) . . . . ? Ag2 Ag1 Ag6 Ag5 103.86(4) . . . . ? Ag5 Ag1 Ag6 Ag5 41.53(3) 2_676 . . . ? O1 Ag1 Ag6 Ag4 -151.1(2) . . . . ? O8 Ag1 Ag6 Ag4 -49.0(5) . . . . ? C2 Ag1 Ag6 Ag4 6.6(4) . . . . ? C1 Ag1 Ag6 Ag4 23.0(3) . . . . ? O5 Ag1 Ag6 Ag4 113.90(18) . . . . ? Ag5 Ag1 Ag6 Ag4 -60.81(3) . . . . ? Ag2 Ag1 Ag6 Ag4 43.05(4) . . . . ? Ag5 Ag1 Ag6 Ag4 -19.29(3) 2_676 . . . ? O9 Ag2 C1 C2 -112(2) . . . . ? O7 Ag2 C1 C2 44(2) . . . . ? Ag3 Ag2 C1 C2 -157(2) . . . . ? Ag1 Ag2 C1 C2 18(2) . . . . ? O9 Ag2 C1 Ag3 44.9(8) . . . . ? O7 Ag2 C1 Ag3 -158.5(3) . . . . ? Ag1 Ag2 C1 Ag3 175.7(5) . . . . ? O9 Ag2 C1 Ag5 146.2(5) . . . 2_676 ? O7 Ag2 C1 Ag5 -57.3(5) . . . 2_676 ? Ag3 Ag2 C1 Ag5 101.3(4) . . . 2_676 ? Ag1 Ag2 C1 Ag5 -83.0(3) . . . 2_676 ? O9 Ag2 C1 Ag1 -130.8(6) . . . . ? O7 Ag2 C1 Ag1 25.7(5) . . . . ? Ag3 Ag2 C1 Ag1 -175.7(5) . . . . ? O5 Ag3 C1 C2 22.5(12) 2_576 . . . ? O10 Ag3 C1 C2 -175.5(8) 2_477 . . . ? Ag2 Ag3 C1 C2 169.8(11) . . . . ? Ag4 Ag3 C1 C2 -11.7(8) . . . . ? O5 Ag3 C1 Ag2 -147.3(3) 2_576 . . . ? O10 Ag3 C1 Ag2 14.7(5) 2_477 . . . ? Ag4 Ag3 C1 Ag2 178.4(4) . . . . ? O5 Ag3 C1 Ag5 116.7(4) 2_576 . . 2_676 ? O10 Ag3 C1 Ag5 -81.2(5) 2_477 . . 2_676 ? Ag2 Ag3 C1 Ag5 -95.9(4) . . . 2_676 ? Ag4 Ag3 C1 Ag5 82.5(3) . . . 2_676 ? O5 Ag3 C1 Ag1 -128(2) 2_576 . . . ? O10 Ag3 C1 Ag1 34(2) 2_477 . . . ? Ag2 Ag3 C1 Ag1 19.4(19) . . . . ? Ag4 Ag3 C1 Ag1 -162(2) . . . . ? O1 Ag1 C1 C2 -10.0(11) . . . . ? O8 Ag1 C1 C2 129.9(7) . . . . ? O5 Ag1 C1 C2 -111.7(7) . . . . ? Ag5 Ag1 C1 C2 33.1(6) . . . . ? Ag2 Ag1 C1 C2 -172.4(9) . . . . ? Ag5 Ag1 C1 C2 89.8(7) 2_676 . . . ? Ag6 Ag1 C1 C2 -22.2(6) . . . . ? O1 Ag1 C1 Ag2 162.3(5) . . . . ? O8 Ag1 C1 Ag2 -57.7(4) . . . . ? C2 Ag1 C1 Ag2 172.4(9) . . . . ? O5 Ag1 C1 Ag2 60.6(3) . . . . ? Ag5 Ag1 C1 Ag2 -154.5(3) . . . . ? Ag5 Ag1 C1 Ag2 -97.9(3) 2_676 . . . ? Ag6 Ag1 C1 Ag2 150.1(4) . . . . ? O1 Ag1 C1 Ag3 143.0(19) . . . . ? O8 Ag1 C1 Ag3 -77(2) . . . . ? C2 Ag1 C1 Ag3 153(3) . . . . ? O5 Ag1 C1 Ag3 41(2) . . . . ? Ag5 Ag1 C1 Ag3 -174(2) . . . . ? Ag2 Ag1 C1 Ag3 -19.4(19) . . . . ? Ag5 Ag1 C1 Ag3 -117(2) 2_676 . . . ? Ag6 Ag1 C1 Ag3 131(2) . . . . ? O1 Ag1 C1 Ag5 -99.8(6) . . . 2_676 ? O8 Ag1 C1 Ag5 40.1(3) . . . 2_676 ? C2 Ag1 C1 Ag5 -89.8(7) . . . 2_676 ? O5 Ag1 C1 Ag5 158.5(3) . . . 2_676 ? Ag5 Ag1 C1 Ag5 -56.64(19) . . . 2_676 ? Ag2 Ag1 C1 Ag5 97.9(3) . . . 2_676 ? Ag6 Ag1 C1 Ag5 -112.0(3) . . . 2_676 ? Ag2 C1 C2 Ag6 57(3) . . . . ? Ag3 C1 C2 Ag6 -97.0(15) . . . . ? Ag5 C1 C2 Ag6 160.4(13) 2_676 . . . ? Ag1 C1 C2 Ag6 76.3(14) . . . . ? Ag2 C1 C2 Ag4 168.7(18) . . . . ? Ag3 C1 C2 Ag4 14.5(10) . . . . ? Ag5 C1 C2 Ag4 -88.0(5) 2_676 . . . ? Ag1 C1 C2 Ag4 -172.1(6) . . . . ? Ag2 C1 C2 Ag5 -85(2) . . . . ? Ag3 C1 C2 Ag5 120.8(8) . . . . ? Ag5 C1 C2 Ag5 18.3(10) 2_676 . . . ? Ag1 C1 C2 Ag5 -65.8(9) . . . . ? Ag2 C1 C2 Ag1 -19(2) . . . . ? Ag3 C1 C2 Ag1 -173.4(7) . . . . ? Ag5 C1 C2 Ag1 84.1(3) 2_676 . . . ? Ag2 C1 C2 Ag5 -103(2) . . . 2_676 ? Ag3 C1 C2 Ag5 102.5(7) . . . 2_676 ? Ag1 C1 C2 Ag5 -84.1(3) . . . 2_676 ? O4 Ag6 C2 C1 -157.6(14) . . . . ? O10 Ag6 C2 C1 -3.9(17) 1_654 . . . ? O9 Ag6 C2 C1 85.3(16) 2_576 . . . ? Ag5 Ag6 C2 C1 -151.7(17) . . . . ? Ag4 Ag6 C2 C1 116.5(17) . . . . ? Ag1 Ag6 C2 C1 -72.3(15) . . . . ? O4 Ag6 C2 Ag4 85.8(6) . . . . ? O10 Ag6 C2 Ag4 -120.5(3) 1_654 . . . ? O9 Ag6 C2 Ag4 -31.3(3) 2_576 . . . ? Ag5 Ag6 C2 Ag4 91.7(3) . . . . ? Ag1 Ag6 C2 Ag4 171.2(5) . . . . ? O4 Ag6 C2 Ag5 -5.9(7) . . . . ? O10 Ag6 C2 Ag5 147.8(3) 1_654 . . . ? O9 Ag6 C2 Ag5 -123.0(3) 2_576 . . . ? Ag4 Ag6 C2 Ag5 -91.7(3) . . . . ? Ag1 Ag6 C2 Ag5 79.4(3) . . . . ? O4 Ag6 C2 Ag1 -85.3(6) . . . . ? O10 Ag6 C2 Ag1 68.4(4) 1_654 . . . ? O9 Ag6 C2 Ag1 157.6(3) 2_576 . . . ? Ag5 Ag6 C2 Ag1 -79.4(3) . . . . ? Ag4 Ag6 C2 Ag1 -171.2(5) . . . . ? O4 Ag6 C2 Ag5 -10.4(12) . . . 2_676 ? O10 Ag6 C2 Ag5 143.3(7) 1_654 . . 2_676 ? O9 Ag6 C2 Ag5 -127.5(8) 2_576 . . 2_676 ? Ag5 Ag6 C2 Ag5 -4.5(6) . . . 2_676 ? Ag4 Ag6 C2 Ag5 -96.2(9) . . . 2_676 ? Ag1 Ag6 C2 Ag5 74.9(8) . . . 2_676 ? O6 Ag4 C2 C1 -39.4(12) 2_576 . . . ? O8 Ag4 C2 C1 126.7(8) 2_676 . . . ? Ag3 Ag4 C2 C1 -10.2(7) . . . . ? Ag6 Ag4 C2 C1 -149.2(10) . . . . ? Ag5 Ag4 C2 C1 133.8(10) . . . . ? O6 Ag4 C2 Ag6 109.8(6) 2_576 . . . ? O8 Ag4 C2 Ag6 -84.1(4) 2_676 . . . ? Ag3 Ag4 C2 Ag6 139.0(3) . . . . ? Ag5 Ag4 C2 Ag6 -77.0(3) . . . . ? O6 Ag4 C2 Ag5 -173.2(5) 2_576 . . . ? O8 Ag4 C2 Ag5 -7.1(5) 2_676 . . . ? Ag3 Ag4 C2 Ag5 -144.0(4) . . . . ? Ag6 Ag4 C2 Ag5 77.0(3) . . . . ? O6 Ag4 C2 Ag1 -158(3) 2_576 . . . ? O8 Ag4 C2 Ag1 8(3) 2_676 . . . ? Ag3 Ag4 C2 Ag1 -129(3) . . . . ? Ag6 Ag4 C2 Ag1 92(3) . . . . ? Ag5 Ag4 C2 Ag1 15(3) . . . . ? O6 Ag4 C2 Ag5 -104.1(6) 2_576 . . 2_676 ? O8 Ag4 C2 Ag5 62.0(4) 2_676 . . 2_676 ? Ag3 Ag4 C2 Ag5 -74.8(2) . . . 2_676 ? Ag6 Ag4 C2 Ag5 146.1(5) . . . 2_676 ? Ag5 Ag4 C2 Ag5 69.2(3) . . . 2_676 ? O3 Ag5 C2 C1 -178.2(10) . . . . ? C1 Ag5 C2 C1 -27.6(16) 2_676 . . . ? O2 Ag5 C2 C1 77.5(12) . . . . ? C2 Ag5 C2 C1 -17.6(10) 2_676 . . . ? Ag6 Ag5 C2 C1 159.7(13) . . . . ? Ag5 Ag5 C2 C1 -17.6(10) 2_676 . . . ? Ag1 Ag5 C2 C1 65.1(11) . . . . ? Ag1 Ag5 C2 C1 -65.5(11) 2_676 . . . ? Ag4 Ag5 C2 C1 -112.6(13) . . . . ? O3 Ag5 C2 Ag6 22.1(5) . . . . ? C1 Ag5 C2 Ag6 172.7(4) 2_676 . . . ? O2 Ag5 C2 Ag6 -82.2(4) . . . . ? C2 Ag5 C2 Ag6 -177.3(4) 2_676 . . . ? Ag5 Ag5 C2 Ag6 -177.3(4) 2_676 . . . ? Ag1 Ag5 C2 Ag6 -94.6(3) . . . . ? Ag1 Ag5 C2 Ag6 134.8(2) 2_676 . . . ? Ag4 Ag5 C2 Ag6 87.7(3) . . . . ? O3 Ag5 C2 Ag4 -65.6(5) . . . . ? C1 Ag5 C2 Ag4 84.9(6) 2_676 . . . ? O2 Ag5 C2 Ag4 -169.9(3) . . . . ? C2 Ag5 C2 Ag4 95.0(3) 2_676 . . . ? Ag6 Ag5 C2 Ag4 -87.7(3) . . . . ? Ag5 Ag5 C2 Ag4 95.0(3) 2_676 . . . ? Ag1 Ag5 C2 Ag4 177.7(5) . . . . ? Ag1 Ag5 C2 Ag4 47.1(3) 2_676 . . . ? O3 Ag5 C2 Ag1 116.8(4) . . . . ? C1 Ag5 C2 Ag1 -92.7(5) 2_676 . . . ? O2 Ag5 C2 Ag1 12.4(4) . . . . ? C2 Ag5 C2 Ag1 -82.7(2) 2_676 . . . ? Ag6 Ag5 C2 Ag1 94.6(3) . . . . ? Ag5 Ag5 C2 Ag1 -82.7(2) 2_676 . . . ? Ag1 Ag5 C2 Ag1 -130.59(19) 2_676 . . . ? Ag4 Ag5 C2 Ag1 -177.7(5) . . . . ? O3 Ag5 C2 Ag5 -160.5(3) . . . 2_676 ? C1 Ag5 C2 Ag5 -10.0(6) 2_676 . . 2_676 ? O2 Ag5 C2 Ag5 95.1(3) . . . 2_676 ? C2 Ag5 C2 Ag5 0.0 2_676 . . 2_676 ? Ag6 Ag5 C2 Ag5 177.3(4) . . . 2_676 ? Ag1 Ag5 C2 Ag5 82.7(2) . . . 2_676 ? Ag1 Ag5 C2 Ag5 -47.91(17) 2_676 . . 2_676 ? Ag4 Ag5 C2 Ag5 -95.0(3) . . . 2_676 ? O1 Ag1 C2 C1 174.3(6) . . . . ? O8 Ag1 C2 C1 -59.5(8) . . . . ? O5 Ag1 C2 C1 71.1(7) . . . . ? Ag5 Ag1 C2 C1 -135.9(8) . . . . ? Ag2 Ag1 C2 C1 5.4(6) . . . . ? Ag5 Ag1 C2 C1 -65.6(7) 2_676 . . . ? Ag6 Ag1 C2 C1 147.6(9) . . . . ? O1 Ag1 C2 Ag6 26.6(5) . . . . ? O8 Ag1 C2 Ag6 152.9(3) . . . . ? C1 Ag1 C2 Ag6 -147.6(9) . . . . ? O5 Ag1 C2 Ag6 -76.5(3) . . . . ? Ag5 Ag1 C2 Ag6 76.4(3) . . . . ? Ag2 Ag1 C2 Ag6 -142.2(4) . . . . ? Ag5 Ag1 C2 Ag6 146.8(4) 2_676 . . . ? O1 Ag1 C2 Ag4 -65(3) . . . . ? O8 Ag1 C2 Ag4 61(3) . . . . ? C1 Ag1 C2 Ag4 121(4) . . . . ? O5 Ag1 C2 Ag4 -168(3) . . . . ? Ag5 Ag1 C2 Ag4 -15(3) . . . . ? Ag2 Ag1 C2 Ag4 126(3) . . . . ? Ag5 Ag1 C2 Ag4 55(3) 2_676 . . . ? Ag6 Ag1 C2 Ag4 -92(3) . . . . ? O1 Ag1 C2 Ag5 -49.8(5) . . . . ? O8 Ag1 C2 Ag5 76.5(4) . . . . ? C1 Ag1 C2 Ag5 135.9(8) . . . . ? O5 Ag1 C2 Ag5 -153.0(3) . . . . ? Ag2 Ag1 C2 Ag5 141.4(3) . . . . ? Ag5 Ag1 C2 Ag5 70.3(2) 2_676 . . . ? Ag6 Ag1 C2 Ag5 -76.4(3) . . . . ? O1 Ag1 C2 Ag5 -120.1(3) . . . 2_676 ? O8 Ag1 C2 Ag5 6.1(4) . . . 2_676 ? C1 Ag1 C2 Ag5 65.6(7) . . . 2_676 ? O5 Ag1 C2 Ag5 136.7(2) . . . 2_676 ? Ag5 Ag1 C2 Ag5 -70.3(2) . . . 2_676 ? Ag2 Ag1 C2 Ag5 71.01(18) . . . 2_676 ? Ag6 Ag1 C2 Ag5 -146.8(4) . . . 2_676 ? O8 Ag1 O1 C3 -67.1(9) . . . . ? C2 Ag1 O1 C3 67.6(10) . . . . ? C1 Ag1 O1 C3 73.3(12) . . . . ? O5 Ag1 O1 C3 174.0(9) . . . . ? Ag5 Ag1 O1 C3 33.1(9) . . . . ? Ag2 Ag1 O1 C3 -152.1(7) . . . . ? Ag5 Ag1 O1 C3 0.9(11) 2_676 . . . ? Ag6 Ag1 O1 C3 84.5(9) . . . . ? C2 Ag5 O2 C3 34.9(12) . . . . ? O3 Ag5 O2 C3 -90.8(11) . . . . ? C1 Ag5 O2 C3 173.4(11) 2_676 . . . ? C2 Ag5 O2 C3 145.8(11) 2_676 . . . ? Ag6 Ag5 O2 C3 -14.6(11) . . . . ? Ag5 Ag5 O2 C3 100.2(11) 2_676 . . . ? Ag1 Ag5 O2 C3 45.6(10) . . . . ? Ag1 Ag5 O2 C3 164.3(9) 2_676 . . . ? Ag4 Ag5 O2 C3 15.6(16) . . . . ? Ag1 O1 C3 O2 -7.3(18) . . . . ? Ag1 O1 C3 C4 173.1(9) . . . . ? Ag5 O2 C3 O1 -37.5(19) . . . . ? Ag5 O2 C3 C4 142.1(9) . . . . ? O1 C3 C4 F11 -120.2(15) . . . . ? O2 C3 C4 F11 60.1(18) . . . . ? O1 C3 C4 F13 1.5(19) . . . . ? O2 C3 C4 F13 -178.1(13) . . . . ? O1 C3 C4 F12 121.0(15) . . . . ? O2 C3 C4 F12 -58.7(16) . . . . ? C2 Ag5 O3 C5 -37.5(12) . . . . ? C1 Ag5 O3 C5 162.0(11) 2_676 . . . ? O2 Ag5 O3 C5 81.7(11) . . . . ? C2 Ag5 O3 C5 164.2(9) 2_676 . . . ? Ag6 Ag5 O3 C5 -20.6(10) . . . . ? Ag5 Ag5 O3 C5 -136.6(9) 2_676 . . . ? Ag1 Ag5 O3 C5 27.8(12) . . . . ? Ag1 Ag5 O3 C5 -148.1(10) 2_676 . . . ? Ag4 Ag5 O3 C5 -77.3(10) . . . . ? C2 Ag6 O4 C5 -14.8(12) . . . . ? O10 Ag6 O4 C5 -170.7(9) 1_654 . . . ? O9 Ag6 O4 C5 100.5(9) 2_576 . . . ? Ag5 Ag6 O4 C5 -19.6(9) . . . . ? Ag4 Ag6 O4 C5 43.0(10) . . . . ? Ag1 Ag6 O4 C5 -72.1(9) . . . . ? Ag6 O4 C5 O3 9.9(19) . . . . ? Ag6 O4 C5 C6 -172.2(10) . . . . ? Ag5 O3 C5 O4 12(2) . . . . ? Ag5 O3 C5 C6 -166.0(10) . . . . ? O4 C5 C6 F22 40(2) . . . . ? O3 C5 C6 F22 -142.0(15) . . . . ? O4 C5 C6 F23 -77.5(17) . . . . ? O3 C5 C6 F23 100.8(16) . . . . ? O4 C5 C6 F21 164.3(15) . . . . ? O3 C5 C6 F21 -17(2) . . . . ? O1 Ag1 O5 C7 99.2(9) . . . . ? O8 Ag1 O5 C7 -4.3(9) . . . . ? C2 Ag1 O5 C7 -136.3(8) . . . . ? C1 Ag1 O5 C7 -109.2(8) . . . . ? Ag5 Ag1 O5 C7 -168.6(7) . . . . ? Ag2 Ag1 O5 C7 -71.1(8) . . . . ? Ag5 Ag1 O5 C7 -87.9(8) 2_676 . . . ? Ag6 Ag1 O5 C7 -175.2(8) . . . . ? O1 Ag1 O5 Ag3 -115.9(3) . . . 2_576 ? O8 Ag1 O5 Ag3 140.6(3) . . . 2_576 ? C2 Ag1 O5 Ag3 8.6(4) . . . 2_576 ? C1 Ag1 O5 Ag3 35.6(3) . . . 2_576 ? Ag5 Ag1 O5 Ag3 -23.7(4) . . . 2_576 ? Ag2 Ag1 O5 Ag3 73.8(2) . . . 2_576 ? Ag5 Ag1 O5 Ag3 57.0(4) 2_676 . . 2_576 ? Ag6 Ag1 O5 Ag3 -30.3(2) . . . 2_576 ? Ag3 O5 C7 O6 -12.2(19) 2_576 . . . ? Ag1 O5 C7 O6 123.7(12) . . . . ? Ag3 O5 C7 C8 165.9(9) 2_576 . . . ? Ag1 O5 C7 C8 -58.3(14) . . . . ? Ag4 O6 C7 O5 -9.5(19) 2_576 . . . ? Ag4 O6 C7 C8 172.5(9) 2_576 . . . ? O5 C7 C8 F32 30(2) . . . . ? O6 C7 C8 F32 -152.0(14) . . . . ? O5 C7 C8 F31 -91.3(14) . . . . ? O6 C7 C8 F31 87.1(16) . . . . ? O5 C7 C8 F33 152.1(13) . . . . ? O6 C7 C8 F33 -29.5(19) . . . . ? C1 Ag2 O7 C9 33.5(13) . . . . ? O9 Ag2 O7 C9 -158.5(11) . . . . ? Ag3 Ag2 O7 C9 -13.8(17) . . . . ? Ag1 Ag2 O7 C9 55.4(11) . . . . ? O1 Ag1 O8 C9 -127.4(9) . . . . ? C2 Ag1 O8 C9 96.2(9) . . . . ? C1 Ag1 O8 C9 71.1(9) . . . . ? O5 Ag1 O8 C9 -26.6(10) . . . . ? Ag5 Ag1 O8 C9 143.4(8) . . . . ? Ag2 Ag1 O8 C9 35.8(8) . . . . ? Ag5 Ag1 O8 C9 101.5(9) 2_676 . . . ? Ag6 Ag1 O8 C9 134.0(7) . . . . ? O1 Ag1 O8 Ag4 68.5(4) . . . 2_676 ? C2 Ag1 O8 Ag4 -67.9(4) . . . 2_676 ? C1 Ag1 O8 Ag4 -93.0(4) . . . 2_676 ? O5 Ag1 O8 Ag4 169.2(3) . . . 2_676 ? Ag5 Ag1 O8 Ag4 -20.8(3) . . . 2_676 ? Ag2 Ag1 O8 Ag4 -128.3(3) . . . 2_676 ? Ag5 Ag1 O8 Ag4 -62.6(3) 2_676 . . 2_676 ? Ag6 Ag1 O8 Ag4 -30.1(7) . . . 2_676 ? Ag2 O7 C9 O8 -46.2(19) . . . . ? Ag2 O7 C9 C10 133.6(12) . . . . ? Ag4 O8 C9 O7 146.1(12) 2_676 . . . ? Ag1 O8 C9 O7 -7.0(17) . . . . ? Ag4 O8 C9 C10 -34(2) 2_676 . . . ? Ag1 O8 C9 C10 173.2(11) . . . . ? O7 C9 C10 F42 25(3) . . . . ? O8 C9 C10 F42 -155(2) . . . . ? O7 C9 C10 F43 -102(2) . . . . ? O8 C9 C10 F43 78(2) . . . . ? O7 C9 C10 F41 139(2) . . . . ? O8 C9 C10 F41 -41(3) . . . . ? C1 Ag2 O9 N1 -168.5(8) . . . . ? O7 Ag2 O9 N1 32.4(8) . . . . ? Ag3 Ag2 O9 N1 -134.4(7) . . . . ? Ag1 Ag2 O9 N1 89.3(8) . . . . ? C1 Ag2 O9 Ag6 -22.9(8) . . . 2_576 ? O7 Ag2 O9 Ag6 178.0(4) . . . 2_576 ? Ag3 Ag2 O9 Ag6 11.2(3) . . . 2_576 ? Ag1 Ag2 O9 Ag6 -125.1(2) . . . 2_576 ? Ag2 O9 N1 C15 -67.1(12) . . . . ? Ag6 O9 N1 C15 157.7(9) 2_576 . . . ? Ag2 O9 N1 C11 116.5(9) . . . . ? Ag6 O9 N1 C11 -18.6(12) 2_576 . . . ? Ag6 O10 N2 C22 72.7(11) 1_456 . . . ? Ag3 O10 N2 C22 -44.8(14) 2_477 . . . ? Ag6 O10 N2 C21 -105.2(10) 1_456 . . . ? Ag3 O10 N2 C21 137.3(10) 2_477 . . . ? C15 N1 C11 C12 2.7(17) . . . . ? O9 N1 C11 C12 179.0(10) . . . . ? N1 C11 C12 C13 0.2(18) . . . . ? C11 C12 C13 C14 -2.5(18) . . . . ? C11 C12 C13 C16 178.4(11) . . . . ? C12 C13 C14 C15 2(2) . . . . ? C16 C13 C14 C15 -178.7(13) . . . . ? C11 N1 C15 C14 -3.1(19) . . . . ? O9 N1 C15 C14 -179.3(11) . . . . ? C13 C14 C15 N1 0(2) . . . . ? C14 C13 C16 C17 -62.2(16) . . . . ? C12 C13 C16 C17 116.7(13) . . . . ? C13 C16 C17 C18 -59.2(15) . . . . ? C16 C17 C18 C19 -54.0(15) . . . . ? C17 C18 C19 C20 124.7(13) . . . . ? C17 C18 C19 C23 -53.4(15) . . . . ? C23 C19 C20 C21 4.0(19) . . . . ? C18 C19 C20 C21 -174.2(12) . . . . ? C22 N2 C21 C20 -2.0(19) . . . . ? O10 N2 C21 C20 175.9(11) . . . . ? C19 C20 C21 N2 -2(2) . . . . ? O10 N2 C22 C23 -175.0(11) . . . . ? C21 N2 C22 C23 2.9(18) . . . . ? N2 C22 C23 C19 0(2) . . . . ? C20 C19 C23 C22 -3.2(19) . . . . ? C18 C19 C23 C22 175.1(12) . . . . ? _diffrn_measured_fraction_theta_max 0.990 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.990 _refine_diff_density_max 1.607 _refine_diff_density_min -0.977 _refine_diff_density_rms 0.207 #===END data_compound4 _database_code_depnum_ccdc_archive 'CCDC 294857' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C33 H28 Ag7 F15 N4 O21 S5' _chemical_formula_weight 2016.98 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M P2(1)/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 15.3205(18) _cell_length_b 27.110(3) _cell_length_c 14.4434(18) _cell_angle_alpha 90.00 _cell_angle_beta 115.859(2) _cell_angle_gamma 90.00 _cell_volume 5398.2(11) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.60 _exptl_crystal_size_mid 0.46 _exptl_crystal_size_min 0.32 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.482 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3864 _exptl_absorpt_coefficient_mu 2.809 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.725856 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(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 30337 _diffrn_reflns_av_R_equivalents 0.0292 _diffrn_reflns_av_sigmaI/netI 0.0291 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -31 _diffrn_reflns_limit_k_max 32 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 1.66 _diffrn_reflns_theta_max 25.00 _reflns_number_total 9500 _reflns_number_gt 7512 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0314P)^2^+26.7402P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00002(2) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 9500 _refine_ls_number_parameters 767 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0535 _refine_ls_R_factor_gt 0.0390 _refine_ls_wR_factor_ref 0.0976 _refine_ls_wR_factor_gt 0.0866 _refine_ls_goodness_of_fit_ref 1.042 _refine_ls_restrained_S_all 1.042 _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 0.31932(3) 0.677610(17) 0.32152(4) 0.04195(12) Uani 1 1 d . . . Ag2 Ag 0.40135(3) 0.774465(19) 0.37002(4) 0.04644(13) Uani 1 1 d . . . Ag3 Ag 0.19374(3) 0.77968(2) 0.23751(4) 0.05524(15) Uani 1 1 d . . . Ag4 Ag 0.29543(5) 0.67690(2) 0.05555(5) 0.06702(18) Uani 1 1 d . . . Ag5 Ag 0.37550(4) 0.816244(19) 0.10372(4) 0.05066(14) Uani 1 1 d . . . Ag6 Ag 0.19606(4) 0.77092(2) -0.01286(4) 0.06914(19) Uani 1 1 d . . . Ag7 Ag 0.47420(4) 0.71633(3) 0.23884(6) 0.0760(2) Uani 1 1 d . . . C1 C 0.2987(5) 0.7495(2) 0.1365(4) 0.0443(15) Uani 1 1 d . . . C2 C 0.3159(4) 0.7358(2) 0.2204(4) 0.0364(13) Uani 1 1 d . . . S1 S 0.58623(13) 0.72675(7) 0.57920(13) 0.0556(4) Uani 1 1 d . . . O1 O 0.5221(5) 0.7532(3) 0.6057(7) 0.138(3) Uani 1 1 d . . . O2 O 0.5593(5) 0.7285(4) 0.4762(5) 0.161(5) Uani 1 1 d . . . O3 O 0.6057(6) 0.6808(2) 0.6262(7) 0.155(4) Uani 1 1 d . . . C3 C 0.7013(5) 0.7589(3) 0.6376(7) 0.063(2) Uani 1 1 d . . . F11 F 0.6913(4) 0.8046(2) 0.6159(9) 0.182(4) Uani 1 1 d . . . F12 F 0.7626(4) 0.7423(3) 0.6062(5) 0.114(2) Uani 1 1 d . . . F13 F 0.7420(5) 0.7531(3) 0.7366(5) 0.136(3) Uani 1 1 d . . . S2 S 0.55248(10) 0.60251(5) 0.17464(11) 0.0361(3) Uani 1 1 d . . . O4 O 0.4735(3) 0.62227(17) 0.1924(4) 0.0510(11) Uani 1 1 d . . . O5 O 0.6451(3) 0.60352(17) 0.2635(3) 0.0519(11) Uani 1 1 d . . . O6 O 0.5526(3) 0.61852(17) 0.0800(4) 0.0534(11) Uani 1 1 d . . . C4 C 0.5238(5) 0.5375(3) 0.1510(5) 0.0550(17) Uani 1 1 d . . . F21 F 0.4400(3) 0.53191(17) 0.0683(4) 0.0798(14) Uani 1 1 d . . . F22 F 0.5170(4) 0.51574(17) 0.2287(4) 0.0897(16) Uani 1 1 d . . . F23 F 0.5912(4) 0.51456(17) 0.1331(4) 0.0928(16) Uani 1 1 d . . . S3 S 0.25173(11) 0.90364(6) 0.18384(13) 0.0445(4) Uani 1 1 d . . . O7 O 0.3168(5) 0.9030(2) 0.1396(6) 0.096(2) Uani 1 1 d . . . O8 O 0.2952(4) 0.9121(2) 0.2932(4) 0.0832(17) Uani 1 1 d . . . O9 O 0.1807(4) 0.86597(19) 0.1534(5) 0.0826(18) Uani 1 1 d . . . C5 C 0.1822(5) 0.9597(2) 0.1321(5) 0.0506(16) Uani 1 1 d . . . F31 F 0.1212(4) 0.96854(19) 0.1711(5) 0.1043(19) Uani 1 1 d . . . F32 F 0.1335(4) 0.9572(2) 0.0315(4) 0.1008(18) Uani 1 1 d . . . F33 F 0.2375(4) 0.99879(16) 0.1495(4) 0.0876(15) Uani 1 1 d . . . S4 S 0.23809(10) 0.57187(5) 0.14269(12) 0.0383(3) Uani 1 1 d . . . O10 O 0.2463(3) 0.59734(16) 0.0596(3) 0.0518(11) Uani 1 1 d . . . O11 O 0.2654(4) 0.59977(18) 0.2354(4) 0.0647(14) Uani 1 1 d . . . O12 O 0.2717(3) 0.52223(16) 0.1581(4) 0.0535(11) Uani 1 1 d . . . C6 C 0.1075(5) 0.5662(3) 0.0946(6) 0.0546(17) Uani 1 1 d . . . F41 F 0.0839(4) 0.5424(2) 0.1605(4) 0.0926(16) Uani 1 1 d . . . F42 F 0.0662(3) 0.60990(19) 0.0789(5) 0.0961(17) Uani 1 1 d . . . F43 F 0.0687(3) 0.54149(17) 0.0069(3) 0.0712(12) Uani 1 1 d . . . S5 S -0.02817(10) 0.78026(6) 0.01037(11) 0.0398(3) Uani 1 1 d . . . O13 O 0.0264(3) 0.78387(17) 0.1207(3) 0.0506(11) Uani 1 1 d . . . O14 O -0.0961(4) 0.74075(18) -0.0244(4) 0.0662(14) Uani 1 1 d . . . O15 O 0.0289(3) 0.78665(17) -0.0459(3) 0.0517(11) Uani 1 1 d . . . C7 C -0.1012(4) 0.8362(3) -0.0212(5) 0.0494(16) Uani 1 1 d . . . F51 F -0.1554(3) 0.83982(19) -0.1211(3) 0.0744(13) Uani 1 1 d . . . F52 F -0.0474(3) 0.87566(15) 0.0098(4) 0.0800(14) Uani 1 1 d . . . F53 F -0.1614(3) 0.83580(18) 0.0232(4) 0.0744(13) Uani 1 1 d . . . N1 N 0.0749(3) 0.83858(18) 0.3333(4) 0.0371(11) Uani 1 1 d . . . N2 N -0.5394(3) 0.89494(17) -0.0028(3) 0.0330(10) Uani 1 1 d . . . O16 O 0.1552(3) 0.81005(16) 0.3662(3) 0.0484(11) Uani 1 1 d . . . O17 O -0.6132(3) 0.86287(16) -0.0264(3) 0.0422(10) Uani 1 1 d . . . C8 C 0.0812(4) 0.8866(2) 0.3164(5) 0.0447(15) Uani 1 1 d . . . H8A H 0.1410 0.9005 0.3295 0.054 Uiso 1 1 calc R . . C9 C -0.0003(4) 0.9154(2) 0.2799(5) 0.0465(15) Uani 1 1 d . . . H9A H 0.0051 0.9487 0.2678 0.056 Uiso 1 1 calc R . . C10 C -0.0905(4) 0.8963(2) 0.2604(4) 0.0351(13) Uani 1 1 d . . . C11 C -0.0922(4) 0.8471(2) 0.2817(5) 0.0481(16) Uani 1 1 d . . . H11A H -0.1507 0.8326 0.2716 0.058 Uiso 1 1 calc R . . C12 C -0.0092(5) 0.8185(2) 0.3180(5) 0.0485(16) Uani 1 1 d . . . H12A H -0.0123 0.7852 0.3317 0.058 Uiso 1 1 calc R . . C13 C -0.1815(4) 0.9272(2) 0.2199(5) 0.0427(14) Uani 1 1 d . . . H13A H -0.1782 0.9495 0.2739 0.051 Uiso 1 1 calc R . . H13B H -0.2367 0.9056 0.2038 0.051 Uiso 1 1 calc R . . C14 C -0.1987(4) 0.9573(2) 0.1252(5) 0.0419(14) Uani 1 1 d . . . H14A H -0.2026 0.9352 0.0707 0.050 Uiso 1 1 calc R . . H14B H -0.1438 0.9791 0.1409 0.050 Uiso 1 1 calc R . . C15 C -0.2919(4) 0.9883(2) 0.0866(5) 0.0414(14) Uani 1 1 d . . . H15A H -0.2881 1.0105 0.1410 0.050 Uiso 1 1 calc R . . H15B H -0.2966 1.0084 0.0289 0.050 Uiso 1 1 calc R . . C16 C -0.3816(4) 0.9571(2) 0.0536(4) 0.0347(12) Uani 1 1 d . . . C17 C -0.4194(4) 0.9320(2) -0.0390(4) 0.0419(14) Uani 1 1 d . . . H17A H -0.3908 0.9360 -0.0837 0.050 Uiso 1 1 calc R . . C18 C -0.4981(4) 0.9015(2) -0.0663(4) 0.0417(14) Uani 1 1 d . . . H18A H -0.5228 0.8852 -0.1293 0.050 Uiso 1 1 calc R . . C19 C -0.5075(4) 0.9200(2) 0.0855(4) 0.0410(14) Uani 1 1 d . . . H19A H -0.5392 0.9165 0.1274 0.049 Uiso 1 1 calc R . . C20 C -0.4290(4) 0.9508(2) 0.1155(4) 0.0402(14) Uani 1 1 d . . . H20A H -0.4074 0.9675 0.1778 0.048 Uiso 1 1 calc R . . N3 N 0.0869(3) 0.66306(18) 0.3037(4) 0.0379(11) Uani 1 1 d . . . N4 N -0.4332(3) 0.65665(17) -0.1657(3) 0.0356(11) Uani 1 1 d . . . O18 O 0.1698(3) 0.68998(17) 0.3437(4) 0.0520(11) Uani 1 1 d . . . O19 O -0.5146(3) 0.68358(16) -0.2156(3) 0.0462(10) Uani 1 1 d . . . C21 C 0.0845(5) 0.6187(2) 0.3428(5) 0.0465(15) Uani 1 1 d . . . H21A H 0.1399 0.6061 0.3966 0.056 Uiso 1 1 calc R . . C22 C 0.0005(5) 0.5920(2) 0.3037(5) 0.0451(15) Uani 1 1 d . . . H22A H -0.0009 0.5611 0.3310 0.054 Uiso 1 1 calc R . . C23 C -0.0832(4) 0.6104(2) 0.2234(4) 0.0357(13) Uani 1 1 d . . . C24 C -0.0764(4) 0.6561(2) 0.1863(5) 0.0409(14) Uani 1 1 d . . . H24A H -0.1305 0.6696 0.1324 0.049 Uiso 1 1 calc R . . C25 C 0.0086(5) 0.6821(2) 0.2271(5) 0.0435(14) Uani 1 1 d . . . H25A H 0.0117 0.7132 0.2012 0.052 Uiso 1 1 calc R . . C26 C -0.1748(4) 0.5806(2) 0.1764(5) 0.0450(15) Uani 1 1 d . . . H26A H -0.2299 0.6027 0.1471 0.054 Uiso 1 1 calc R . . H26B H -0.1813 0.5614 0.2297 0.054 Uiso 1 1 calc R . . C27 C -0.1760(4) 0.5457(2) 0.0922(5) 0.0471(16) Uani 1 1 d . . . H27A H -0.1189 0.5248 0.1214 0.057 Uiso 1 1 calc R . . H27B H -0.2325 0.5245 0.0707 0.057 Uiso 1 1 calc R . . C28 C -0.1779(4) 0.5715(2) -0.0018(5) 0.0417(14) Uani 1 1 d . . . H28A H -0.1218 0.5929 0.0198 0.050 Uiso 1 1 calc R . . H28B H -0.1723 0.5468 -0.0476 0.050 Uiso 1 1 calc R . . C29 C -0.2674(4) 0.6016(2) -0.0607(4) 0.0325(12) Uani 1 1 d . . . C30 C -0.3598(4) 0.5811(2) -0.0938(5) 0.0403(14) Uani 1 1 d . . . H30A H -0.3662 0.5481 -0.0809 0.048 Uiso 1 1 calc R . . C31 C -0.4408(4) 0.6091(2) -0.1449(5) 0.0411(14) Uani 1 1 d . . . H31A H -0.5018 0.5950 -0.1655 0.049 Uiso 1 1 calc R . . C32 C -0.3460(4) 0.6779(2) -0.1360(5) 0.0411(14) Uani 1 1 d . . . H32A H -0.3416 0.7110 -0.1507 0.049 Uiso 1 1 calc R . . C33 C -0.2632(4) 0.6507(2) -0.0836(4) 0.0387(13) Uani 1 1 d . . . H33A H -0.2030 0.6656 -0.0632 0.046 Uiso 1 1 calc R . . O1W O 0.3792(3) 0.84373(16) 0.4507(3) 0.0475(10) Uani 1 1 d . . . O2W O 0.6310(3) 0.6974(2) 0.3452(4) 0.0681(14) 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 0.0541(3) 0.0352(2) 0.0380(3) 0.00333(19) 0.0214(2) -0.0071(2) Ag2 0.0462(3) 0.0512(3) 0.0364(3) -0.0137(2) 0.0128(2) -0.0136(2) Ag3 0.0347(2) 0.0584(3) 0.0698(4) -0.0167(3) 0.0203(2) 0.0068(2) Ag4 0.0822(4) 0.0449(3) 0.0694(4) -0.0190(3) 0.0289(3) -0.0104(3) Ag5 0.0534(3) 0.0525(3) 0.0434(3) 0.0076(2) 0.0186(2) -0.0112(2) Ag6 0.0490(3) 0.0868(4) 0.0440(3) 0.0208(3) -0.0053(2) -0.0001(3) Ag7 0.0376(3) 0.0785(4) 0.1036(5) -0.0216(4) 0.0232(3) 0.0136(3) C1 0.052(4) 0.046(4) 0.026(3) -0.006(3) 0.010(3) -0.008(3) C2 0.035(3) 0.041(3) 0.031(3) -0.001(2) 0.012(2) -0.007(2) S1 0.0552(10) 0.0595(11) 0.0423(10) 0.0032(8) 0.0121(8) -0.0017(8) O1 0.082(5) 0.168(8) 0.201(9) -0.075(7) 0.095(6) -0.045(5) O2 0.072(4) 0.350(14) 0.043(4) 0.033(6) 0.010(3) -0.026(6) O3 0.129(6) 0.059(4) 0.173(8) 0.011(5) -0.033(6) -0.024(4) C3 0.052(4) 0.052(5) 0.084(6) 0.002(4) 0.029(4) 0.008(3) F11 0.082(4) 0.064(4) 0.401(14) 0.047(6) 0.106(6) 0.003(3) F12 0.065(3) 0.168(6) 0.117(5) -0.023(4) 0.048(3) 0.019(3) F13 0.106(4) 0.214(8) 0.079(4) -0.062(5) 0.033(4) -0.075(5) S2 0.0347(7) 0.0346(8) 0.0376(8) -0.0005(6) 0.0144(6) 0.0011(6) O4 0.042(2) 0.057(3) 0.055(3) -0.009(2) 0.023(2) 0.004(2) O5 0.038(2) 0.055(3) 0.049(3) -0.007(2) 0.006(2) 0.002(2) O6 0.053(3) 0.060(3) 0.053(3) 0.013(2) 0.029(2) 0.000(2) C4 0.069(5) 0.045(4) 0.045(4) -0.005(3) 0.018(4) -0.002(3) F21 0.088(3) 0.067(3) 0.068(3) -0.021(2) 0.018(3) -0.028(2) F22 0.139(5) 0.060(3) 0.072(3) 0.012(2) 0.048(3) -0.026(3) F23 0.120(4) 0.059(3) 0.095(4) -0.016(3) 0.043(3) 0.032(3) S3 0.0393(8) 0.0410(9) 0.0540(10) 0.0007(7) 0.0211(7) 0.0007(7) O7 0.100(5) 0.090(4) 0.142(6) 0.026(4) 0.095(5) 0.030(4) O8 0.093(4) 0.074(4) 0.057(3) 0.010(3) 0.009(3) 0.000(3) O9 0.071(3) 0.047(3) 0.116(5) -0.003(3) 0.028(3) -0.012(3) C5 0.058(4) 0.045(4) 0.049(4) -0.004(3) 0.024(3) 0.002(3) F31 0.120(4) 0.083(4) 0.156(5) 0.031(3) 0.102(4) 0.045(3) F32 0.121(4) 0.087(4) 0.057(3) 0.005(3) 0.003(3) 0.020(3) F33 0.103(4) 0.044(2) 0.107(4) 0.001(2) 0.038(3) -0.015(2) S4 0.0396(7) 0.0328(8) 0.0397(8) -0.0077(6) 0.0147(6) -0.0047(6) O10 0.055(3) 0.050(3) 0.052(3) 0.002(2) 0.024(2) -0.010(2) O11 0.087(4) 0.051(3) 0.048(3) -0.020(2) 0.022(3) -0.012(3) O12 0.055(3) 0.039(2) 0.062(3) 0.000(2) 0.021(2) 0.005(2) C6 0.046(4) 0.057(4) 0.065(5) -0.006(4) 0.028(4) 0.003(3) F41 0.085(3) 0.119(4) 0.101(4) 0.003(3) 0.067(3) -0.021(3) F42 0.062(3) 0.077(3) 0.147(5) -0.008(3) 0.043(3) 0.021(2) F43 0.052(2) 0.087(3) 0.063(3) -0.019(2) 0.014(2) -0.019(2) S5 0.0368(7) 0.0423(8) 0.0374(8) 0.0001(6) 0.0135(6) -0.0067(6) O13 0.040(2) 0.065(3) 0.039(2) 0.008(2) 0.0097(19) -0.003(2) O14 0.066(3) 0.056(3) 0.071(3) -0.012(3) 0.024(3) -0.027(3) O15 0.048(2) 0.063(3) 0.049(3) 0.001(2) 0.025(2) 0.002(2) C7 0.038(3) 0.063(4) 0.042(4) 0.004(3) 0.013(3) -0.003(3) F51 0.059(2) 0.102(4) 0.051(3) 0.022(2) 0.014(2) 0.016(2) F52 0.072(3) 0.047(2) 0.112(4) -0.003(2) 0.031(3) -0.009(2) F53 0.066(3) 0.096(3) 0.078(3) 0.008(3) 0.047(2) 0.016(2) N1 0.039(3) 0.038(3) 0.033(3) 0.002(2) 0.014(2) 0.008(2) N2 0.031(2) 0.044(3) 0.021(2) 0.003(2) 0.0084(19) 0.004(2) O16 0.045(2) 0.050(3) 0.045(3) 0.007(2) 0.014(2) 0.022(2) O17 0.041(2) 0.055(3) 0.030(2) -0.0051(18) 0.0143(18) -0.0165(19) C8 0.034(3) 0.043(4) 0.056(4) 0.002(3) 0.019(3) 0.001(3) C9 0.040(3) 0.036(3) 0.065(4) 0.002(3) 0.024(3) 0.001(3) C10 0.038(3) 0.039(3) 0.032(3) 0.004(2) 0.018(3) 0.006(2) C11 0.041(3) 0.046(4) 0.060(4) 0.009(3) 0.024(3) 0.003(3) C12 0.050(4) 0.042(4) 0.055(4) 0.012(3) 0.024(3) 0.003(3) C13 0.040(3) 0.049(4) 0.043(4) 0.009(3) 0.022(3) 0.011(3) C14 0.031(3) 0.052(4) 0.045(4) 0.005(3) 0.018(3) 0.002(3) C15 0.037(3) 0.042(3) 0.043(4) 0.004(3) 0.015(3) 0.003(3) C16 0.031(3) 0.037(3) 0.034(3) 0.008(2) 0.013(2) 0.007(2) C17 0.042(3) 0.059(4) 0.031(3) 0.002(3) 0.022(3) 0.001(3) C18 0.048(3) 0.055(4) 0.022(3) -0.003(3) 0.016(3) -0.003(3) C19 0.043(3) 0.054(4) 0.033(3) -0.007(3) 0.023(3) -0.003(3) C20 0.042(3) 0.047(4) 0.031(3) -0.009(3) 0.014(3) -0.002(3) N3 0.039(3) 0.038(3) 0.038(3) -0.011(2) 0.018(2) -0.003(2) N4 0.037(3) 0.041(3) 0.026(2) 0.003(2) 0.011(2) 0.008(2) O18 0.047(2) 0.054(3) 0.058(3) -0.024(2) 0.026(2) -0.011(2) O19 0.039(2) 0.056(3) 0.035(2) 0.0063(19) 0.0085(18) 0.017(2) C21 0.048(4) 0.046(4) 0.034(3) 0.002(3) 0.007(3) 0.006(3) C22 0.052(4) 0.038(3) 0.037(3) 0.005(3) 0.013(3) 0.000(3) C23 0.040(3) 0.043(3) 0.026(3) -0.001(2) 0.016(2) 0.002(3) C24 0.042(3) 0.038(3) 0.037(3) 0.006(3) 0.012(3) 0.007(3) C25 0.052(4) 0.038(3) 0.040(3) 0.001(3) 0.019(3) 0.004(3) C26 0.037(3) 0.050(4) 0.046(4) 0.008(3) 0.015(3) -0.003(3) C27 0.037(3) 0.035(3) 0.052(4) 0.004(3) 0.004(3) 0.002(3) C28 0.035(3) 0.039(3) 0.044(4) -0.008(3) 0.011(3) 0.005(3) C29 0.034(3) 0.033(3) 0.027(3) -0.005(2) 0.011(2) 0.002(2) C30 0.036(3) 0.029(3) 0.045(4) 0.001(3) 0.008(3) -0.002(2) C31 0.030(3) 0.044(4) 0.045(4) -0.001(3) 0.012(3) -0.008(3) C32 0.046(3) 0.036(3) 0.038(3) 0.003(3) 0.016(3) -0.004(3) C33 0.031(3) 0.044(3) 0.036(3) 0.001(3) 0.010(2) -0.005(3) O1W 0.046(2) 0.054(3) 0.038(2) -0.013(2) 0.014(2) 0.000(2) O2W 0.053(3) 0.070(3) 0.065(3) -0.019(3) 0.010(2) 0.003(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 2.134(6) . ? Ag1 O17 2.262(4) 4_676 ? Ag1 O11 2.405(4) . ? Ag1 O18 2.470(4) . ? Ag1 Ag2 2.8629(7) . ? Ag1 Ag7 3.2604(9) . ? Ag1 Ag3 3.2854(8) . ? Ag2 C2 2.240(6) . ? Ag2 O1W 2.312(4) . ? Ag2 O19 2.423(4) 4_676 ? Ag2 O2 2.555(9) . ? Ag2 Ag3 2.9137(7) . ? Ag2 Ag7 3.0273(8) . ? Ag3 C2 2.320(6) . ? Ag3 O16 2.333(4) . ? Ag3 O13 2.379(4) . ? Ag4 C1 2.277(6) . ? Ag4 O10 2.294(4) . ? Ag4 O1W 2.438(4) 4_575 ? Ag4 Ag6 2.9116(9) . ? Ag4 Ag7 3.0540(9) . ? Ag5 C1 2.318(6) . ? Ag5 O17 2.333(4) 1_655 ? Ag5 O19 2.411(4) 4_676 ? Ag5 Ag6 2.8044(8) . ? Ag5 Ag7 3.2952(9) . ? Ag6 C1 2.122(6) . ? Ag6 O18 2.202(4) 4_575 ? Ag6 O15 2.430(4) . ? Ag7 O2W 2.275(5) . ? Ag7 C2 2.380(6) . ? Ag7 O1 2.480(8) 4_575 ? Ag7 C1 2.599(6) . ? C1 C2 1.182(8) . ? S1 O2 1.360(7) . ? S1 O3 1.388(7) . ? S1 O1 1.398(7) . ? S1 C3 1.812(8) . ? O1 Ag7 2.480(8) 4_576 ? C3 F11 1.270(9) . ? C3 F12 1.290(9) . ? C3 F13 1.295(10) . ? S2 O6 1.435(5) . ? S2 O5 1.439(4) . ? S2 O4 1.446(4) . ? S2 C4 1.812(7) . ? C4 F22 1.313(8) . ? C4 F23 1.323(9) . ? C4 F21 1.327(8) . ? S3 O7 1.399(5) . ? S3 O9 1.415(5) . ? S3 O8 1.440(6) . ? S3 C5 1.819(7) . ? C5 F31 1.307(8) . ? C5 F33 1.310(8) . ? C5 F32 1.315(8) . ? S4 O12 1.423(4) . ? S4 O11 1.433(5) . ? S4 O10 1.437(5) . ? S4 C6 1.816(7) . ? C6 F42 1.316(8) . ? C6 F43 1.322(8) . ? C6 F41 1.323(8) . ? S5 O14 1.424(5) . ? S5 O15 1.440(5) . ? S5 O13 1.445(4) . ? S5 C7 1.820(7) . ? C7 F52 1.305(8) . ? C7 F51 1.318(7) . ? C7 F53 1.333(7) . ? N1 C12 1.325(8) . ? N1 C8 1.337(8) . ? N1 O16 1.352(6) . ? N2 C18 1.335(7) . ? N2 C19 1.335(7) . ? N2 O17 1.347(6) . ? O17 Ag1 2.262(4) 4_475 ? O17 Ag5 2.333(4) 1_455 ? C8 C9 1.367(8) . ? C9 C10 1.385(8) . ? C10 C11 1.371(8) . ? C10 C13 1.509(8) . ? C11 C12 1.384(9) . ? C13 C14 1.514(8) . ? C14 C15 1.537(8) . ? C15 C16 1.504(8) . ? C16 C17 1.384(8) . ? C16 C20 1.387(8) . ? C17 C18 1.372(8) . ? C19 C20 1.370(8) . ? N3 C25 1.331(8) . ? N3 C21 1.336(8) . ? N3 O18 1.356(6) . ? N4 C31 1.341(7) . ? N4 C32 1.341(7) . ? N4 O19 1.350(6) . ? O18 Ag6 2.202(4) 4_576 ? O19 Ag5 2.411(4) 4_475 ? O19 Ag2 2.423(4) 4_475 ? C21 C22 1.366(9) . ? C22 C23 1.392(8) . ? C23 C24 1.373(8) . ? C23 C26 1.500(8) . ? C24 C25 1.368(9) . ? C26 C27 1.533(9) . ? C27 C28 1.517(9) . ? C28 C29 1.501(7) . ? C29 C33 1.379(8) . ? C29 C30 1.396(8) . ? C30 C31 1.363(8) . ? C32 C33 1.375(8) . ? O1W Ag4 2.438(4) 4_576 ? 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 O17 152.54(18) . 4_676 ? C2 Ag1 O11 113.2(2) . . ? O17 Ag1 O11 89.13(16) 4_676 . ? C2 Ag1 O18 103.95(19) . . ? O17 Ag1 O18 89.81(15) 4_676 . ? O11 Ag1 O18 93.30(16) . . ? C2 Ag1 Ag2 50.73(15) . . ? O17 Ag1 Ag2 103.97(11) 4_676 . ? O11 Ag1 Ag2 161.12(13) . . ? O18 Ag1 Ag2 100.18(10) . . ? C2 Ag1 Ag7 46.85(15) . . ? O17 Ag1 Ag7 114.50(10) 4_676 . ? O11 Ag1 Ag7 103.51(13) . . ? O18 Ag1 Ag7 150.22(12) . . ? Ag2 Ag1 Ag7 58.832(17) . . ? C2 Ag1 Ag3 44.72(16) . . ? O17 Ag1 Ag3 135.49(10) 4_676 . ? O11 Ag1 Ag3 122.30(13) . . ? O18 Ag1 Ag3 60.45(11) . . ? Ag2 Ag1 Ag3 56.069(17) . . ? Ag7 Ag1 Ag3 89.78(2) . . ? C2 Ag2 O1W 135.58(18) . . ? C2 Ag2 O19 86.83(17) . 4_676 ? O1W Ag2 O19 95.96(15) . 4_676 ? C2 Ag2 O2 110.7(3) . . ? O1W Ag2 O2 113.7(3) . . ? O19 Ag2 O2 87.7(2) 4_676 . ? C2 Ag2 Ag1 47.54(15) . . ? O1W Ag2 Ag1 136.29(11) . . ? O19 Ag2 Ag1 125.45(10) 4_676 . ? O2 Ag2 Ag1 84.2(2) . . ? C2 Ag2 Ag3 51.52(15) . . ? O1W Ag2 Ag3 86.18(10) . . ? O19 Ag2 Ag3 108.24(10) 4_676 . ? O2 Ag2 Ag3 153.5(2) . . ? Ag1 Ag2 Ag3 69.319(18) . . ? C2 Ag2 Ag7 51.11(15) . . ? O1W Ag2 Ag7 156.03(12) . . ? O19 Ag2 Ag7 60.12(11) 4_676 . ? O2 Ag2 Ag7 67.08(19) . . ? Ag1 Ag2 Ag7 67.15(2) . . ? Ag3 Ag2 Ag7 102.06(2) . . ? C2 Ag3 O16 139.67(17) . . ? C2 Ag3 O13 128.25(18) . . ? O16 Ag3 O13 88.79(15) . . ? C2 Ag3 Ag2 49.08(14) . . ? O16 Ag3 Ag2 94.41(10) . . ? O13 Ag3 Ag2 176.60(11) . . ? C2 Ag3 Ag1 40.33(14) . . ? O16 Ag3 Ag1 108.30(10) . . ? O13 Ag3 Ag1 125.35(11) . . ? Ag2 Ag3 Ag1 54.612(16) . . ? C1 Ag4 O10 137.1(2) . . ? C1 Ag4 O1W 128.11(19) . 4_575 ? O10 Ag4 O1W 93.88(15) . 4_575 ? C1 Ag4 Ag6 46.31(15) . . ? O10 Ag4 Ag6 134.66(12) . . ? O1W Ag4 Ag6 109.20(10) 4_575 . ? C1 Ag4 Ag7 56.11(16) . . ? O10 Ag4 Ag7 119.16(12) . . ? O1W Ag4 Ag7 95.90(10) 4_575 . ? Ag6 Ag4 Ag7 97.26(2) . . ? C1 Ag5 O17 144.12(17) . 1_655 ? C1 Ag5 O19 87.58(17) . 4_676 ? O17 Ag5 O19 127.49(13) 1_655 4_676 ? C1 Ag5 Ag6 47.79(15) . . ? O17 Ag5 Ag6 98.71(9) 1_655 . ? O19 Ag5 Ag6 133.61(10) 4_676 . ? C1 Ag5 Ag7 51.66(16) . . ? O17 Ag5 Ag7 138.28(11) 1_655 . ? O19 Ag5 Ag7 55.74(11) 4_676 . ? Ag6 Ag5 Ag7 94.12(2) . . ? C1 Ag6 O18 147.0(2) . 4_575 ? C1 Ag6 O15 119.9(2) . . ? O18 Ag6 O15 89.21(15) 4_575 . ? C1 Ag6 Ag5 54.01(17) . . ? O18 Ag6 Ag5 94.76(12) 4_575 . ? O15 Ag6 Ag5 135.60(11) . . ? C1 Ag6 Ag4 50.89(17) . . ? O18 Ag6 Ag4 126.47(12) 4_575 . ? O15 Ag6 Ag4 124.80(11) . . ? Ag5 Ag6 Ag4 87.09(2) . . ? O2W Ag7 C2 148.2(2) . . ? O2W Ag7 O1 91.0(2) . 4_575 ? C2 Ag7 O1 118.1(2) . 4_575 ? O2W Ag7 C1 171.10(18) . . ? C2 Ag7 C1 27.01(19) . . ? O1 Ag7 C1 91.5(2) 4_575 . ? O2W Ag7 Ag2 105.30(13) . . ? C2 Ag7 Ag2 47.08(14) . . ? O1 Ag7 Ag2 128.8(2) 4_575 . ? C1 Ag7 Ag2 66.66(13) . . ? O2W Ag7 Ag4 142.17(13) . . ? C2 Ag7 Ag4 59.72(14) . . ? O1 Ag7 Ag4 84.3(2) 4_575 . ? C1 Ag7 Ag4 46.65(13) . . ? Ag2 Ag7 Ag4 106.78(2) . . ? O2W Ag7 Ag1 113.74(15) . . ? C2 Ag7 Ag1 40.85(14) . . ? O1 Ag7 Ag1 154.17(19) 4_575 . ? C1 Ag7 Ag1 65.29(14) . . ? Ag2 Ag7 Ag1 54.018(18) . . ? Ag4 Ag7 Ag1 71.58(2) . . ? O2W Ag7 Ag5 131.49(15) . . ? C2 Ag7 Ag5 64.52(14) . . ? O1 Ag7 Ag5 58.76(17) 4_575 . ? C1 Ag7 Ag5 44.39(14) . . ? Ag2 Ag7 Ag5 75.14(2) . . ? Ag4 Ag7 Ag5 76.58(2) . . ? Ag1 Ag7 Ag5 105.21(2) . . ? C2 C1 Ag6 149.7(6) . . ? C2 C1 Ag4 101.6(5) . . ? Ag6 C1 Ag4 82.8(2) . . ? C2 C1 Ag5 123.2(5) . . ? Ag6 C1 Ag5 78.2(2) . . ? Ag4 C1 Ag5 118.0(3) . . ? C2 C1 Ag7 66.1(4) . . ? Ag6 C1 Ag7 142.8(3) . . ? Ag4 C1 Ag7 77.24(19) . . ? Ag5 C1 Ag7 83.9(2) . . ? C1 C2 Ag1 149.5(5) . . ? C1 C2 Ag2 128.1(5) . . ? Ag1 C2 Ag2 81.7(2) . . ? C1 C2 Ag3 96.8(5) . . ? Ag1 C2 Ag3 94.9(2) . . ? Ag2 C2 Ag3 79.40(19) . . ? C1 C2 Ag7 86.9(4) . . ? Ag1 C2 Ag7 92.3(2) . . ? Ag2 C2 Ag7 81.81(18) . . ? Ag3 C2 Ag7 158.6(3) . . ? O2 S1 O3 117.6(7) . . ? O2 S1 O1 111.6(6) . . ? O3 S1 O1 110.7(7) . . ? O2 S1 C3 105.2(5) . . ? O3 S1 C3 104.3(4) . . ? O1 S1 C3 106.4(4) . . ? S1 O1 Ag7 149.8(6) . 4_576 ? S1 O2 Ag2 115.4(5) . . ? F11 C3 F12 106.3(8) . . ? F11 C3 F13 109.9(9) . . ? F12 C3 F13 105.7(7) . . ? F11 C3 S1 111.5(6) . . ? F12 C3 S1 112.2(6) . . ? F13 C3 S1 111.0(6) . . ? O6 S2 O5 115.7(3) . . ? O6 S2 O4 113.9(3) . . ? O5 S2 O4 114.3(3) . . ? O6 S2 C4 102.4(3) . . ? O5 S2 C4 104.5(3) . . ? O4 S2 C4 103.9(3) . . ? F22 C4 F23 108.3(6) . . ? F22 C4 F21 108.2(6) . . ? F23 C4 F21 107.5(6) . . ? F22 C4 S2 112.3(5) . . ? F23 C4 S2 110.4(5) . . ? F21 C4 S2 110.0(5) . . ? O7 S3 O9 117.0(4) . . ? O7 S3 O8 115.0(4) . . ? O9 S3 O8 112.4(4) . . ? O7 S3 C5 103.2(3) . . ? O9 S3 C5 104.0(3) . . ? O8 S3 C5 103.0(3) . . ? F31 C5 F33 107.0(6) . . ? F31 C5 F32 108.5(6) . . ? F33 C5 F32 105.1(6) . . ? F31 C5 S3 112.2(5) . . ? F33 C5 S3 112.6(5) . . ? F32 C5 S3 111.1(5) . . ? O12 S4 O11 114.5(3) . . ? O12 S4 O10 115.4(3) . . ? O11 S4 O10 115.5(3) . . ? O12 S4 C6 104.0(3) . . ? O11 S4 C6 103.1(3) . . ? O10 S4 C6 101.8(3) . . ? S4 O10 Ag4 128.5(3) . . ? S4 O11 Ag1 147.2(3) . . ? F42 C6 F43 108.0(6) . . ? F42 C6 F41 107.5(6) . . ? F43 C6 F41 107.1(6) . . ? F42 C6 S4 110.8(5) . . ? F43 C6 S4 111.6(5) . . ? F41 C6 S4 111.5(5) . . ? O14 S5 O15 114.9(3) . . ? O14 S5 O13 115.0(3) . . ? O15 S5 O13 114.4(3) . . ? O14 S5 C7 105.3(3) . . ? O15 S5 C7 102.5(3) . . ? O13 S5 C7 102.5(3) . . ? S5 O13 Ag3 134.8(3) . . ? S5 O15 Ag6 135.7(3) . . ? F52 C7 F51 108.4(6) . . ? F52 C7 F53 107.9(6) . . ? F51 C7 F53 106.8(5) . . ? F52 C7 S5 111.7(4) . . ? F51 C7 S5 111.2(5) . . ? F53 C7 S5 110.6(5) . . ? C12 N1 C8 120.8(5) . . ? C12 N1 O16 119.5(5) . . ? C8 N1 O16 119.7(5) . . ? C18 N2 C19 120.3(5) . . ? C18 N2 O17 120.6(5) . . ? C19 N2 O17 119.1(4) . . ? N1 O16 Ag3 115.4(3) . . ? N2 O17 Ag1 122.4(3) . 4_475 ? N2 O17 Ag5 119.7(3) . 1_455 ? Ag1 O17 Ag5 110.88(16) 4_475 1_455 ? N1 C8 C9 120.0(6) . . ? C8 C9 C10 121.9(6) . . ? C11 C10 C9 115.6(5) . . ? C11 C10 C13 121.5(5) . . ? C9 C10 C13 122.9(5) . . ? C10 C11 C12 121.7(6) . . ? N1 C12 C11 119.9(6) . . ? C10 C13 C14 114.6(5) . . ? C13 C14 C15 113.0(5) . . ? C16 C15 C14 112.5(5) . . ? C17 C16 C20 116.5(5) . . ? C17 C16 C15 121.5(5) . . ? C20 C16 C15 122.0(5) . . ? C18 C17 C16 121.3(5) . . ? N2 C18 C17 120.3(5) . . ? N2 C19 C20 121.1(5) . . ? C19 C20 C16 120.4(5) . . ? C25 N3 C21 121.4(5) . . ? C25 N3 O18 118.8(5) . . ? C21 N3 O18 119.8(5) . . ? C31 N4 C32 120.9(5) . . ? C31 N4 O19 119.3(5) . . ? C32 N4 O19 119.8(5) . . ? N3 O18 Ag6 114.4(3) . 4_576 ? N3 O18 Ag1 128.4(3) . . ? Ag6 O18 Ag1 112.83(17) 4_576 . ? N4 O19 Ag5 128.7(3) . 4_475 ? N4 O19 Ag2 123.7(3) . 4_475 ? Ag5 O19 Ag2 106.00(14) 4_475 4_475 ? N3 C21 C22 119.7(6) . . ? C21 C22 C23 121.0(6) . . ? C24 C23 C22 116.6(5) . . ? C24 C23 C26 121.7(5) . . ? C22 C23 C26 121.6(5) . . ? C25 C24 C23 121.2(6) . . ? N3 C25 C24 120.1(6) . . ? C23 C26 C27 112.1(5) . . ? C28 C27 C26 114.5(5) . . ? C29 C28 C27 114.5(5) . . ? C33 C29 C30 116.6(5) . . ? C33 C29 C28 122.3(5) . . ? C30 C29 C28 121.2(5) . . ? C31 C30 C29 120.8(5) . . ? N4 C31 C30 120.5(5) . . ? N4 C32 C33 119.8(5) . . ? C32 C33 C29 121.5(5) . . ? Ag2 O1W Ag4 111.07(18) . 4_576 ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.950 _refine_diff_density_min -1.454 _refine_diff_density_rms 0.112 #===END