Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2005 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year 2004 _journal_page_first 3212 _journal_volume ? loop_ _publ_author_name X.-L.Zhao T.C.W.Mak _publ_contact_author_name 'Prof Thomas C. W. Mak' _publ_contact_author_email TCWMAK@CUHK.EDU.HK data_compound_1 _database_code_depnum_ccdc_archive 'CCDC 237531' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C30 H20 Ag10 F24 N4 O22' _chemical_formula_weight 2323.20 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/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y, -z+1/2' '-x, -y, -z' 'x-1/2, -y, z-1/2' _cell_length_a 15.7063(8) _cell_length_b 8.5582(4) _cell_length_c 20.3643(10) _cell_angle_alpha 90.00 _cell_angle_beta 100.7030(10) _cell_angle_gamma 90.00 _cell_volume 2689.7(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 0.46 _exptl_crystal_size_mid 0.26 _exptl_crystal_size_min 0.24 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.869 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2180 _exptl_absorpt_coefficient_mu 3.717 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.632085 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_process_details sadabs _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 14568 _diffrn_reflns_av_R_equivalents 0.0447 _diffrn_reflns_av_sigmaI/netI 0.0371 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.51 _diffrn_reflns_theta_max 25.00 _reflns_number_total 4741 _reflns_number_gt 3867 _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^)+(0.0444P)^2^+29.2181P] 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 4741 _refine_ls_number_parameters 407 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0700 _refine_ls_R_factor_gt 0.0567 _refine_ls_wR_factor_ref 0.1314 _refine_ls_wR_factor_gt 0.1244 _refine_ls_goodness_of_fit_ref 1.209 _refine_ls_restrained_S_all 1.209 _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 0.15850(5) 0.56897(9) 0.73462(4) 0.0356(2) Uani 1 1 d . . . Ag2 Ag 0.12757(5) 0.89475(9) 0.66045(4) 0.0350(2) Uani 1 1 d . . . Ag3 Ag 0.17064(5) 1.11429(9) 0.77494(4) 0.0339(2) Uani 1 1 d . . . Ag4 Ag 0.31498(6) 0.79161(10) 0.65425(4) 0.0387(2) Uani 1 1 d . . . Ag5 Ag 0.40986(6) 0.52680(12) 0.42185(5) 0.0514(3) Uani 1 1 d . . . C1 C 0.2500 0.7711(15) 0.7500 0.026(3) Uani 1 2 d S . . C2 C 0.2500 0.9162(16) 0.7500 0.027(3) Uani 1 2 d S . . O1 O 0.1699(5) 1.5509(8) 0.8982(3) 0.0365(17) Uani 1 1 d . . . O2 O 0.2007(5) 1.3681(8) 0.8284(3) 0.0393(18) Uani 1 1 d . . . C3 C 0.1878(6) 1.4187(11) 0.8828(4) 0.024(2) Uani 1 1 d . . . C4 C 0.1963(8) 1.2980(12) 0.9405(5) 0.040(3) Uani 1 1 d . . . F11 F 0.2542(7) 1.3450(11) 0.9921(4) 0.099(3) Uani 1 1 d . . . F12 F 0.1229(6) 1.2865(11) 0.9619(5) 0.089(3) Uani 1 1 d . . . F13 F 0.2188(6) 1.1586(8) 0.9250(4) 0.067(2) Uani 1 1 d . . . O3 O 0.0409(5) 1.0937(9) 0.8166(4) 0.050(2) Uani 1 1 d . . . O4 O 0.0698(5) 0.8851(9) 0.8841(4) 0.0428(19) Uani 1 1 d . . . C5 C 0.0260(7) 0.9951(12) 0.8586(5) 0.035(2) Uani 1 1 d . . . C6 C -0.0617(8) 1.0181(15) 0.8815(7) 0.053(3) Uani 1 1 d . . . F21 F -0.0504(7) 1.1070(15) 0.9357(5) 0.109(4) Uani 1 1 d . . . F22 F -0.1219(5) 1.0845(10) 0.8386(5) 0.077(2) Uani 1 1 d . . . F23 F -0.0926(6) 0.8855(12) 0.8992(7) 0.127(5) Uani 1 1 d . . . O5 O 0.0119(5) 0.6485(9) 0.7338(4) 0.0456(19) Uani 1 1 d . . . O6 O -0.0146(4) 0.8261(9) 0.6521(4) 0.0411(18) Uani 1 1 d . . . C7 C -0.0332(7) 0.7367(12) 0.6950(6) 0.036(2) Uani 1 1 d . . . C8 C -0.1306(8) 0.7361(14) 0.6986(8) 0.055(3) Uani 1 1 d . . . F31 F -0.1790(6) 0.715(2) 0.6424(6) 0.152(6) Uani 1 1 d . . . F32 F -0.1534(6) 0.6343(12) 0.7386(6) 0.112(4) Uani 1 1 d . . . F33 F -0.1538(7) 0.8708(12) 0.7197(8) 0.133(5) Uani 1 1 d . . . O7 O 0.1075(5) 1.3204(8) 0.6960(3) 0.0380(17) Uani 1 1 d . . . O8 O 0.0770(5) 1.1391(8) 0.6162(3) 0.0389(18) Uani 1 1 d . . . C9 C 0.0824(6) 1.2723(11) 0.6385(4) 0.027(2) Uani 1 1 d . . . C10 C 0.0491(8) 1.4003(12) 0.5861(5) 0.042(3) Uani 1 1 d . . . F41 F 0.0328(7) 1.3476(9) 0.5251(3) 0.085(3) Uani 1 1 d . . . F42 F -0.0254(5) 1.4631(10) 0.5965(4) 0.075(2) Uani 1 1 d . . . F43 F 0.1036(5) 1.5182(8) 0.5894(4) 0.071(2) Uani 1 1 d . . . N1 N 0.2850(6) 0.6453(10) 0.4057(4) 0.035(2) Uani 1 1 d . . . N2 N 0.1014(5) 1.0169(10) 0.4868(4) 0.033(2) Uani 1 1 d . . . H2A H 0.0830 1.0633 0.5189 0.039 Uiso 1 1 calc R . . H2B H 0.0852 1.0488 0.4463 0.039 Uiso 1 1 calc R . . O9 O 0.1800(4) 0.8458(8) 0.5570(3) 0.0331(16) Uani 1 1 d . . . C11 C 0.1540(6) 0.8980(11) 0.4994(5) 0.026(2) Uani 1 1 d . . . C12 C 0.1827(6) 0.8192(11) 0.4415(4) 0.026(2) Uani 1 1 d . . . C13 C 0.2525(7) 0.7211(12) 0.4533(5) 0.034(2) Uani 1 1 d . . . H13A H 0.2795 0.7058 0.4974 0.041 Uiso 1 1 calc R . . C14 C 0.2430(7) 0.6652(13) 0.3429(5) 0.038(3) Uani 1 1 d . . . H14A H 0.2624 0.6114 0.3088 0.045 Uiso 1 1 calc R . . C15 C 0.1738(7) 0.7599(14) 0.3270(5) 0.042(3) Uani 1 1 d . . . H15A H 0.1472 0.7716 0.2825 0.050 Uiso 1 1 calc R . . C16 C 0.1423(7) 0.8391(12) 0.3756(5) 0.037(2) Uani 1 1 d . . . H16A H 0.0947 0.9050 0.3647 0.044 Uiso 1 1 calc R . . O1W O 0.5278(5) 0.3763(9) 0.4538(4) 0.0430(18) Uani 1 1 d . . . H1WA H 0.5645 0.3903 0.4285 0.064 Uiso 1 1 d R . . H1WB H 0.5141 0.2801 0.4533 0.064 Uiso 1 1 d R . . O2W O 0.4713(6) 0.5935(10) 0.3207(4) 0.060(2) Uani 1 1 d . . . H2WA H 0.4916 0.6853 0.3194 0.091 Uiso 1 1 d R . . H2WB H 0.4833 0.5220 0.2949 0.091 Uiso 1 1 d 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 0.0394(5) 0.0230(4) 0.0420(5) -0.0011(3) 0.0013(3) -0.0109(3) Ag2 0.0327(4) 0.0340(4) 0.0346(4) 0.0042(3) -0.0036(3) 0.0061(3) Ag3 0.0471(5) 0.0210(4) 0.0373(4) -0.0011(3) 0.0176(4) 0.0089(3) Ag4 0.0481(5) 0.0327(5) 0.0423(5) -0.0032(4) 0.0269(4) 0.0008(4) Ag5 0.0493(6) 0.0555(6) 0.0514(5) -0.0032(5) 0.0145(4) 0.0193(5) C1 0.034(8) 0.015(7) 0.032(7) 0.000 0.012(6) 0.000 C2 0.016(6) 0.027(8) 0.039(8) 0.000 0.003(6) 0.000 O1 0.051(5) 0.021(4) 0.042(4) -0.002(3) 0.019(4) 0.001(3) O2 0.065(5) 0.028(4) 0.026(4) -0.007(3) 0.010(3) 0.003(4) C3 0.030(5) 0.021(5) 0.021(5) 0.004(4) 0.007(4) -0.005(4) C4 0.059(8) 0.027(6) 0.034(6) -0.002(5) 0.006(5) 0.018(5) F11 0.158(9) 0.065(6) 0.049(5) 0.009(4) -0.046(5) -0.011(6) F12 0.107(7) 0.078(6) 0.101(7) 0.044(5) 0.066(6) 0.022(5) F13 0.108(7) 0.031(4) 0.057(4) 0.004(3) 0.004(4) 0.024(4) O3 0.052(5) 0.037(5) 0.069(5) 0.022(4) 0.030(4) 0.011(4) O4 0.049(5) 0.037(4) 0.049(4) 0.007(4) 0.029(4) 0.014(4) C5 0.032(6) 0.030(6) 0.044(6) 0.007(5) 0.013(5) 0.001(5) C6 0.048(8) 0.047(7) 0.074(9) 0.014(7) 0.035(7) 0.014(6) F21 0.096(7) 0.156(11) 0.087(7) -0.028(7) 0.052(6) 0.027(7) F22 0.050(5) 0.083(6) 0.100(6) 0.025(5) 0.018(4) 0.025(4) F23 0.077(6) 0.095(8) 0.236(14) 0.088(9) 0.096(8) 0.037(6) O5 0.036(4) 0.050(5) 0.054(5) 0.013(4) 0.014(4) 0.006(4) O6 0.030(4) 0.034(4) 0.059(5) 0.014(4) 0.009(4) 0.005(3) C7 0.033(6) 0.027(6) 0.047(6) -0.002(5) 0.001(5) 0.006(5) C8 0.037(7) 0.036(7) 0.092(10) 0.010(7) 0.010(7) -0.005(6) F31 0.042(5) 0.30(2) 0.109(9) 0.017(11) -0.012(6) -0.027(8) F32 0.055(5) 0.105(8) 0.189(11) 0.070(8) 0.056(6) 0.002(5) F33 0.098(8) 0.070(7) 0.261(16) -0.003(8) 0.109(10) 0.019(6) O7 0.050(5) 0.032(4) 0.028(4) -0.002(3) -0.003(3) 0.000(3) O8 0.064(5) 0.019(4) 0.032(4) -0.006(3) 0.003(3) 0.005(3) C9 0.030(5) 0.027(5) 0.024(5) -0.003(4) 0.006(4) 0.001(4) C10 0.073(9) 0.019(5) 0.029(6) 0.003(4) 0.000(5) 0.000(5) F41 0.177(9) 0.041(4) 0.026(4) 0.002(3) -0.010(4) 0.022(5) F42 0.069(5) 0.061(5) 0.091(6) 0.020(5) 0.007(5) 0.030(4) F43 0.092(6) 0.034(4) 0.078(5) 0.029(4) -0.005(4) -0.020(4) N1 0.038(5) 0.031(5) 0.036(5) 0.005(4) 0.009(4) 0.011(4) N2 0.037(5) 0.041(5) 0.020(4) -0.003(4) 0.004(4) 0.013(4) O9 0.038(4) 0.037(4) 0.025(3) -0.003(3) 0.010(3) 0.010(3) C11 0.020(5) 0.027(5) 0.031(5) -0.001(4) 0.006(4) -0.003(4) C12 0.028(5) 0.021(5) 0.025(5) 0.005(4) 0.000(4) -0.002(4) C13 0.045(6) 0.034(6) 0.024(5) 0.003(4) 0.012(4) 0.004(5) C14 0.042(6) 0.049(7) 0.025(5) -0.013(5) 0.013(5) 0.000(5) C15 0.044(7) 0.057(7) 0.018(5) -0.001(5) -0.009(4) 0.007(6) C16 0.043(6) 0.031(6) 0.036(6) 0.000(5) 0.007(5) 0.010(5) O1W 0.045(5) 0.039(4) 0.051(5) -0.005(4) 0.023(4) -0.004(4) O2W 0.094(7) 0.036(5) 0.060(5) -0.016(4) 0.038(5) -0.012(5) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 C1 2.234(10) . ? Ag1 O7 2.357(7) 1_545 ? Ag1 O5 2.398(7) . ? Ag1 O2 2.563(7) 1_545 ? Ag1 Ag1 2.8258(16) 2_556 ? Ag1 Ag4 2.9284(11) 2_556 ? Ag1 Ag2 3.1652(11) . ? Ag2 O6 2.284(7) . ? Ag2 O8 2.356(7) . ? Ag2 C2 2.3989(14) . ? Ag2 O9 2.437(6) . ? Ag2 C1 2.616(5) . ? Ag2 Ag3 2.9728(11) . ? Ag2 Ag4 3.0980(12) . ? Ag3 C2 2.218(10) . ? Ag3 O3 2.355(7) . ? Ag3 O2 2.436(7) . ? Ag3 O7 2.468(7) . ? Ag3 Ag3 2.8611(15) 2_556 ? Ag3 Ag4 3.1042(11) 2_556 ? Ag4 O4 2.247(7) 2_556 ? Ag4 O1 2.353(7) 2_546 ? Ag4 C1 2.3694(12) . ? Ag4 C2 2.592(6) . ? Ag4 Ag1 2.9284(11) 2_556 ? Ag4 Ag3 3.1042(11) 2_556 ? Ag5 N1 2.178(8) . ? Ag5 O1W 2.251(8) . ? Ag5 O2W 2.498(8) . ? C1 C2 1.242(19) . ? C1 Ag1 2.234(10) 2_556 ? C1 Ag4 2.3694(12) 2_556 ? C1 Ag2 2.616(5) 2_556 ? C2 Ag3 2.218(10) 2_556 ? C2 Ag2 2.3989(13) 2_556 ? C2 Ag4 2.592(6) 2_556 ? O1 C3 1.220(11) . ? O1 Ag4 2.353(7) 2_566 ? O2 C3 1.241(11) . ? O2 Ag1 2.563(7) 1_565 ? C3 C4 1.551(14) . ? C4 F13 1.300(12) . ? C4 F12 1.309(14) . ? C4 F11 1.319(13) . ? O3 C5 1.255(12) . ? O4 C5 1.223(12) . ? O4 Ag4 2.247(7) 2_556 ? C5 C6 1.545(15) . ? C6 F22 1.294(15) . ? C6 F23 1.311(15) . ? C6 F21 1.325(17) . ? O5 C7 1.220(12) . ? O6 C7 1.237(13) . ? C7 C8 1.545(16) . ? C8 F31 1.266(17) . ? C8 F32 1.288(15) . ? C8 F33 1.305(16) . ? O7 C9 1.234(11) . ? O7 Ag1 2.357(7) 1_565 ? O8 C9 1.224(11) . ? C9 C10 1.550(14) . ? C10 F41 1.303(12) . ? C10 F43 1.317(13) . ? C10 F42 1.340(14) . ? N1 C14 1.337(13) . ? N1 C13 1.343(12) . ? N2 C11 1.306(12) . ? O9 C11 1.250(11) . ? C11 C12 1.498(13) . ? C12 C13 1.366(14) . ? C12 C16 1.385(13) . ? C14 C15 1.347(15) . ? C15 C16 1.368(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 C1 Ag1 O7 156.4(2) . 1_545 ? C1 Ag1 O5 111.9(3) . . ? O7 Ag1 O5 89.3(3) 1_545 . ? C1 Ag1 O2 110.1(2) . 1_545 ? O7 Ag1 O2 70.6(2) 1_545 1_545 ? O5 Ag1 O2 108.1(2) . 1_545 ? C1 Ag1 Ag1 50.8(2) . 2_556 ? O7 Ag1 Ag1 110.05(18) 1_545 2_556 ? O5 Ag1 Ag1 159.6(2) . 2_556 ? O2 Ag1 Ag1 73.94(18) 1_545 2_556 ? C1 Ag1 Ag4 52.57(8) . 2_556 ? O7 Ag1 Ag4 146.75(17) 1_545 2_556 ? O5 Ag1 Ag4 79.6(2) . 2_556 ? O2 Ag1 Ag4 83.14(15) 1_545 2_556 ? Ag1 Ag1 Ag4 80.55(3) 2_556 2_556 ? C1 Ag1 Ag2 54.72(17) . . ? O7 Ag1 Ag2 128.55(17) 1_545 . ? O5 Ag1 Ag2 71.61(19) . . ? O2 Ag1 Ag2 160.35(15) 1_545 . ? Ag1 Ag1 Ag2 99.52(3) 2_556 . ? Ag4 Ag1 Ag2 77.46(3) 2_556 . ? O6 Ag2 O8 86.8(3) . . ? O6 Ag2 C2 135.3(2) . . ? O8 Ag2 C2 112.9(4) . . ? O6 Ag2 O9 112.0(3) . . ? O8 Ag2 O9 88.1(2) . . ? C2 Ag2 O9 108.59(17) . . ? O6 Ag2 C1 122.0(2) . . ? O8 Ag2 C1 141.1(3) . . ? C2 Ag2 C1 28.3(4) . . ? O9 Ag2 C1 102.17(18) . . ? O6 Ag2 Ag3 107.3(2) . . ? O8 Ag2 Ag3 75.54(16) . . ? C2 Ag2 Ag3 47.3(3) . . ? O9 Ag2 Ag3 136.27(18) . . ? C1 Ag2 Ag3 71.2(2) . . ? O6 Ag2 Ag4 147.84(19) . . ? O8 Ag2 Ag4 119.5(2) . . ? C2 Ag2 Ag4 54.50(13) . . ? O9 Ag2 Ag4 55.92(16) . . ? C1 Ag2 Ag4 48.09(2) . . ? Ag3 Ag2 Ag4 97.61(3) . . ? O6 Ag2 Ag1 82.54(18) . . ? O8 Ag2 Ag1 167.24(19) . . ? C2 Ag2 Ag1 71.0(3) . . ? O9 Ag2 Ag1 102.41(16) . . ? C1 Ag2 Ag1 44.2(2) . . ? Ag3 Ag2 Ag1 100.95(3) . . ? Ag4 Ag2 Ag1 72.88(3) . . ? C2 Ag3 O3 125.9(3) . . ? C2 Ag3 O2 135.5(3) . . ? O3 Ag3 O2 90.8(3) . . ? C2 Ag3 O7 124.9(2) . . ? O3 Ag3 O7 91.0(3) . . ? O2 Ag3 O7 71.0(2) . . ? C2 Ag3 Ag3 49.8(2) . 2_556 ? O3 Ag3 Ag3 175.69(19) . 2_556 ? O2 Ag3 Ag3 92.83(18) . 2_556 ? O7 Ag3 Ag3 92.30(18) . 2_556 ? C2 Ag3 Ag2 52.64(8) . . ? O3 Ag3 Ag2 98.6(2) . . ? O2 Ag3 Ag2 155.64(16) . . ? O7 Ag3 Ag2 86.28(16) . . ? Ag3 Ag3 Ag2 78.93(3) 2_556 . ? C2 Ag3 Ag4 55.3(2) . 2_556 ? O3 Ag3 Ag4 76.06(18) . 2_556 ? O2 Ag3 Ag4 126.46(16) . 2_556 ? O7 Ag3 Ag4 157.58(17) . 2_556 ? Ag3 Ag3 Ag4 99.90(3) 2_556 2_556 ? Ag2 Ag3 Ag4 77.79(3) . 2_556 ? O4 Ag4 O1 89.9(3) 2_556 2_546 ? O4 Ag4 C1 144.1(3) 2_556 . ? O1 Ag4 C1 113.8(3) 2_546 . ? O4 Ag4 C2 124.7(3) 2_556 . ? O1 Ag4 C2 142.1(3) 2_546 . ? C1 Ag4 C2 28.5(4) . . ? O4 Ag4 Ag1 119.5(2) 2_556 2_556 ? O1 Ag4 Ag1 76.67(17) 2_546 2_556 ? C1 Ag4 Ag1 48.5(2) . 2_556 ? C2 Ag4 Ag1 72.9(2) . 2_556 ? O4 Ag4 Ag2 138.2(2) 2_556 . ? O1 Ag4 Ag2 116.40(19) 2_546 . ? C1 Ag4 Ag2 55.24(12) . . ? C2 Ag4 Ag2 48.88(2) . . ? Ag1 Ag4 Ag2 98.84(3) 2_556 . ? O4 Ag4 Ag3 81.41(19) 2_556 2_556 ? O1 Ag4 Ag3 170.10(18) 2_546 2_556 ? C1 Ag4 Ag3 71.9(3) . 2_556 ? C2 Ag4 Ag3 44.7(3) . 2_556 ? Ag1 Ag4 Ag3 103.42(3) 2_556 2_556 ? Ag2 Ag4 Ag3 73.46(3) . 2_556 ? N1 Ag5 O1W 168.4(3) . . ? N1 Ag5 O2W 104.1(3) . . ? O1W Ag5 O2W 86.9(3) . . ? C2 C1 Ag1 140.8(2) . . ? C2 C1 Ag1 140.8(2) . 2_556 ? Ag1 C1 Ag1 78.5(4) . 2_556 ? C2 C1 Ag4 85.7(3) . 2_556 ? Ag1 C1 Ag4 78.96(17) . 2_556 ? Ag1 C1 Ag4 107.8(3) 2_556 2_556 ? C2 C1 Ag4 85.7(3) . . ? Ag1 C1 Ag4 107.8(3) . . ? Ag1 C1 Ag4 78.96(17) 2_556 . ? Ag4 C1 Ag4 171.5(6) 2_556 . ? C2 C1 Ag2 66.1(3) . 2_556 ? Ag1 C1 Ag2 141.4(3) . 2_556 ? Ag1 C1 Ag2 81.08(7) 2_556 2_556 ? Ag4 C1 Ag2 76.67(12) 2_556 2_556 ? Ag4 C1 Ag2 99.82(17) . 2_556 ? C2 C1 Ag2 66.1(3) . . ? Ag1 C1 Ag2 81.08(7) . . ? Ag1 C1 Ag2 141.4(3) 2_556 . ? Ag4 C1 Ag2 99.82(17) 2_556 . ? Ag4 C1 Ag2 76.67(12) . . ? Ag2 C1 Ag2 132.3(5) 2_556 . ? C1 C2 Ag3 139.8(2) . 2_556 ? C1 C2 Ag3 139.8(2) . . ? Ag3 C2 Ag3 80.3(5) 2_556 . ? C1 C2 Ag2 85.6(3) . . ? Ag3 C2 Ag2 106.8(3) 2_556 . ? Ag3 C2 Ag2 80.06(18) . . ? C1 C2 Ag2 85.6(3) . 2_556 ? Ag3 C2 Ag2 80.06(18) 2_556 2_556 ? Ag3 C2 Ag2 106.8(3) . 2_556 ? Ag2 C2 Ag2 171.2(6) . 2_556 ? C1 C2 Ag4 65.7(3) . . ? Ag3 C2 Ag4 79.96(7) 2_556 . ? Ag3 C2 Ag4 143.4(3) . . ? Ag2 C2 Ag4 76.62(13) . . ? Ag2 C2 Ag4 99.69(18) 2_556 . ? C1 C2 Ag4 65.7(3) . 2_556 ? Ag3 C2 Ag4 143.4(3) 2_556 2_556 ? Ag3 C2 Ag4 79.96(7) . 2_556 ? Ag2 C2 Ag4 99.69(18) . 2_556 ? Ag2 C2 Ag4 76.62(13) 2_556 2_556 ? Ag4 C2 Ag4 131.4(5) . 2_556 ? C3 O1 Ag4 130.4(6) . 2_566 ? C3 O2 Ag3 131.3(6) . . ? C3 O2 Ag1 111.6(6) . 1_565 ? Ag3 O2 Ag1 105.3(2) . 1_565 ? O1 C3 O2 129.5(9) . . ? O1 C3 C4 114.5(8) . . ? O2 C3 C4 116.0(8) . . ? F13 C4 F12 107.9(10) . . ? F13 C4 F11 107.2(10) . . ? F12 C4 F11 106.1(10) . . ? F13 C4 C3 114.6(9) . . ? F12 C4 C3 110.2(9) . . ? F11 C4 C3 110.4(9) . . ? C5 O3 Ag3 125.5(7) . . ? C5 O4 Ag4 123.6(7) . 2_556 ? O4 C5 O3 130.1(10) . . ? O4 C5 C6 115.7(9) . . ? O3 C5 C6 114.2(9) . . ? F22 C6 F23 107.7(12) . . ? F22 C6 F21 106.2(11) . . ? F23 C6 F21 105.5(12) . . ? F22 C6 C5 115.6(10) . . ? F23 C6 C5 111.6(10) . . ? F21 C6 C5 109.6(11) . . ? C7 O5 Ag1 128.4(7) . . ? C7 O6 Ag2 117.6(7) . . ? O5 C7 O6 130.9(10) . . ? O5 C7 C8 115.4(10) . . ? O6 C7 C8 113.7(10) . . ? F31 C8 F32 106.5(13) . . ? F31 C8 F33 105.4(14) . . ? F32 C8 F33 105.2(13) . . ? F31 C8 C7 113.1(12) . . ? F32 C8 C7 115.2(11) . . ? F33 C8 C7 110.7(10) . . ? C9 O7 Ag1 130.3(6) . 1_565 ? C9 O7 Ag3 113.5(6) . . ? Ag1 O7 Ag3 110.9(3) 1_565 . ? C9 O8 Ag2 133.6(6) . . ? O8 C9 O7 130.5(9) . . ? O8 C9 C10 114.4(8) . . ? O7 C9 C10 115.1(8) . . ? F41 C10 F43 108.9(10) . . ? F41 C10 F42 105.5(10) . . ? F43 C10 F42 105.3(9) . . ? F41 C10 C9 113.1(8) . . ? F43 C10 C9 112.0(9) . . ? F42 C10 C9 111.6(9) . . ? C14 N1 C13 116.3(9) . . ? C14 N1 Ag5 118.3(7) . . ? C13 N1 Ag5 124.6(7) . . ? C11 O9 Ag2 130.2(6) . . ? O9 C11 N2 123.2(9) . . ? O9 C11 C12 118.9(8) . . ? N2 C11 C12 117.9(8) . . ? C13 C12 C16 117.0(9) . . ? C13 C12 C11 119.2(8) . . ? C16 C12 C11 123.8(9) . . ? N1 C13 C12 124.8(9) . . ? N1 C14 C15 122.6(9) . . ? C14 C15 C16 120.6(9) . . ? C15 C16 C12 118.6(10) . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.778 _refine_diff_density_min -1.060 _refine_diff_density_rms 0.194 data_compound_2 _database_code_depnum_ccdc_archive 'CCDC 237532' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C16 H10 Ag6 F12 N2 O11' _chemical_formula_weight 1281.45 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 20.1547(10) _cell_length_b 24.0752(12) _cell_length_c 15.3635(8) _cell_angle_alpha 90.00 _cell_angle_beta 128.0610(10) _cell_angle_gamma 90.00 _cell_volume 5869.6(5) _cell_formula_units_Z 8 _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 0.56 _exptl_crystal_size_mid 0.46 _exptl_crystal_size_min 0.38 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.891 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4752 _exptl_absorpt_coefficient_mu 4.057 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.530587 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_process_details sadabs _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 20199 _diffrn_reflns_av_R_equivalents 0.0298 _diffrn_reflns_av_sigmaI/netI 0.0240 _diffrn_reflns_limit_h_min -26 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -27 _diffrn_reflns_limit_k_max 31 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 1.59 _diffrn_reflns_theta_max 28.01 _reflns_number_total 7080 _reflns_number_gt 5923 _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^)+(0.0629P)^2^+34.4806P] 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 0.00082(4) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 7080 _refine_ls_number_parameters 454 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0515 _refine_ls_R_factor_gt 0.0422 _refine_ls_wR_factor_ref 0.1165 _refine_ls_wR_factor_gt 0.1096 _refine_ls_goodness_of_fit_ref 1.030 _refine_ls_restrained_S_all 1.030 _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 0.58387(2) 0.00880(2) 0.35038(3) 0.04238(13) Uani 1 1 d . . . Ag2 Ag 0.58822(2) 0.00729(2) 0.53756(3) 0.04363(13) Uani 1 1 d . . . Ag4 Ag 0.29247(3) -0.051717(19) 0.19634(4) 0.04883(14) Uani 1 1 d . . . Ag3 Ag 0.47994(3) -0.085618(18) 0.35074(5) 0.05828(16) Uani 1 1 d . . . Ag6 Ag 0.48803(4) 0.103567(19) 0.34711(5) 0.06445(17) Uani 1 1 d . . . Ag5 Ag 0.28542(3) 0.05910(2) 0.23398(5) 0.05706(16) Uani 1 1 d . . . C1 C 0.3950(3) 0.00877(19) 0.2961(4) 0.0298(9) Uani 1 1 d . . . C2 C 0.4730(3) 0.0125(2) 0.3534(4) 0.0306(9) Uani 1 1 d . . . O1 O 0.3229(3) -0.14326(18) 0.2751(4) 0.0562(11) Uani 1 1 d . . . O2 O 0.4309(3) -0.13102(18) 0.4521(3) 0.0516(10) Uani 1 1 d . . . C3 C 0.3631(3) -0.1520(2) 0.3747(5) 0.0469(13) Uani 1 1 d . . . C4 C 0.3272(5) -0.1965(4) 0.4063(8) 0.078(2) Uani 1 1 d . . . F11 F 0.2533(4) -0.2119(4) 0.3278(7) 0.185(5) Uani 1 1 d . . . F12 F 0.3250(6) -0.1783(3) 0.4868(8) 0.143(3) Uani 1 1 d . . . F13 F 0.3756(4) -0.2397(2) 0.4515(6) 0.112(2) Uani 1 1 d . . . O3 O 0.7064(3) 0.0566(2) 0.4586(4) 0.0656(13) Uani 1 1 d . . . O4 O 0.7241(2) 0.0363(2) 0.6135(3) 0.0524(10) Uani 1 1 d . . . C5 C 0.7464(4) 0.0529(2) 0.5599(5) 0.0450(12) Uani 1 1 d . . . C6 C 0.8402(5) 0.0687(4) 0.6270(6) 0.072(2) Uani 1 1 d . . . F21 F 0.8842(4) 0.0276(5) 0.6378(9) 0.181(5) Uani 1 1 d . . . F22 F 0.8729(3) 0.0863(3) 0.7270(4) 0.114(2) Uani 1 1 d . . . F23 F 0.8520(4) 0.1082(4) 0.5804(5) 0.159(4) Uani 1 1 d . . . O5 O 0.6629(3) -0.0760(2) 0.4221(4) 0.0620(12) Uani 1 1 d . . . O6 O 0.6416(3) -0.09436(17) 0.5450(3) 0.0493(9) Uani 1 1 d . . . C7 C 0.6763(3) -0.1010(2) 0.5019(5) 0.0419(11) Uani 1 1 d . . . C8 C 0.7449(5) -0.1459(3) 0.5522(7) 0.0663(19) Uani 1 1 d . . . F31 F 0.7353(5) -0.1773(3) 0.4771(5) 0.122(2) Uani 1 1 d . . . F32 F 0.8189(3) -0.1241(3) 0.6032(6) 0.124(2) Uani 1 1 d . . . F33 F 0.7496(5) -0.1770(3) 0.6250(6) 0.131(3) Uani 1 1 d . . . O7 O 0.4821(4) 0.1908(2) 0.3049(5) 0.0801(16) Uani 1 1 d . . . C9 C 0.5000 0.2114(3) 0.2500 0.055(2) Uani 1 2 d S . . C10 C 0.5000 0.2753(4) 0.2500 0.112(7) Uani 1 2 d S . . F41 F 0.4069(19) 0.2870(7) 0.157(2) 0.208(12) Uani 0.50 1 d P . . F42 F 0.488(2) 0.2981(7) 0.172(2) 0.108(10) Uani 0.50 1 d P . . F43 F 0.535(3) 0.2981(11) 0.216(3) 0.167(18) Uani 0.50 1 d P . . O8 O 0.5121(3) -0.17117(17) 0.3317(4) 0.0592(11) Uani 1 1 d . . . C11 C 0.5000 -0.1921(3) 0.2500 0.0480(19) Uani 1 2 d S . . C12 C 0.5000 -0.2564(5) 0.2500 0.106(6) Uani 1 2 d S . . F51 F 0.564(2) -0.2705(7) 0.236(3) 0.163(9) Uani 0.50 1 d P . . F52 F 0.565(2) -0.2754(11) 0.338(3) 0.149(17) Uani 0.50 1 d P . . F53 F 0.526(4) -0.2792(10) 0.335(3) 0.17(2) Uani 0.50 1 d P . . N1 N -0.1540(3) -0.08090(19) -0.1533(4) 0.0437(10) Uani 1 1 d . . . N2 N 0.1424(3) -0.1594(2) 0.0890(4) 0.0501(12) Uani 1 1 d . . . H2A H 0.1960 -0.1644 0.1345 0.060 Uiso 1 1 calc R . . H2B H 0.1088 -0.1871 0.0686 0.060 Uiso 1 1 calc R . . O9 O 0.1553(2) -0.06773(17) 0.0752(4) 0.0514(10) Uani 1 1 d . . . C13 C -0.0364(3) -0.1398(2) -0.0327(5) 0.0470(13) Uani 1 1 d . . . H13A H -0.0160 -0.1732 0.0057 0.056 Uiso 1 1 calc R . . C14 C -0.1220(3) -0.1275(2) -0.0978(6) 0.0519(14) Uani 1 1 d . . . H14A H -0.1581 -0.1534 -0.1021 0.062 Uiso 1 1 calc R . . C15 C -0.1017(4) -0.0445(3) -0.1482(6) 0.0545(16) Uani 1 1 d . . . H15A H -0.1237 -0.0115 -0.1878 0.065 Uiso 1 1 calc R . . C16 C -0.0153(3) -0.0541(2) -0.0854(5) 0.0515(15) Uani 1 1 d . . . H16A H 0.0194 -0.0281 -0.0842 0.062 Uiso 1 1 calc R . . C17 C 0.0176(3) -0.1017(2) -0.0260(4) 0.0353(10) Uani 1 1 d . . . C18 C 0.1119(3) -0.1095(2) 0.0505(4) 0.0396(11) Uani 1 1 d . . . O1W O 0.3256(4) 0.1572(3) 0.2538(7) 0.103(2) Uani 1 1 d . . . O2W O 0.0679(3) -0.2722(2) 0.0476(5) 0.0757(15) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.02619(19) 0.0749(3) 0.02491(18) 0.00176(16) 0.01517(15) 0.00070(16) Ag2 0.0320(2) 0.0742(3) 0.02512(18) 0.00258(16) 0.01782(16) -0.00137(17) Ag4 0.0325(2) 0.0542(3) 0.0494(2) -0.01073(18) 0.02005(18) -0.01552(17) Ag3 0.0525(3) 0.0278(2) 0.0945(4) 0.0063(2) 0.0453(3) 0.00663(17) Ag6 0.1035(4) 0.0290(2) 0.0718(3) -0.00377(19) 0.0595(3) -0.0106(2) Ag5 0.0309(2) 0.0526(3) 0.0746(3) 0.0122(2) 0.0260(2) 0.01399(17) C1 0.025(2) 0.039(2) 0.0239(19) 0.0015(17) 0.0142(17) 0.0018(17) C2 0.029(2) 0.037(2) 0.024(2) 0.0008(16) 0.0159(18) -0.0024(17) O1 0.046(2) 0.045(2) 0.049(2) -0.0001(18) 0.0151(19) -0.0013(18) O2 0.046(2) 0.053(2) 0.046(2) 0.0005(18) 0.0233(18) -0.0053(18) C3 0.039(3) 0.037(3) 0.057(3) 0.005(2) 0.026(3) 0.006(2) C4 0.058(4) 0.069(5) 0.090(6) 0.020(4) 0.037(4) -0.006(4) F11 0.087(4) 0.208(9) 0.149(6) 0.068(6) 0.017(4) -0.077(5) F12 0.200(8) 0.118(5) 0.215(8) 0.020(5) 0.180(7) -0.002(5) F13 0.125(5) 0.052(3) 0.148(5) 0.029(3) 0.079(4) 0.005(3) O3 0.062(3) 0.088(3) 0.040(2) -0.010(2) 0.028(2) -0.033(2) O4 0.038(2) 0.075(3) 0.041(2) -0.005(2) 0.0231(17) -0.0124(19) C5 0.042(3) 0.051(3) 0.040(3) -0.012(2) 0.024(2) -0.015(2) C6 0.056(4) 0.101(6) 0.061(4) -0.016(4) 0.036(4) -0.031(4) F21 0.064(4) 0.206(9) 0.247(11) -0.083(8) 0.082(5) -0.010(5) F22 0.084(3) 0.177(6) 0.066(3) -0.041(3) 0.038(3) -0.076(4) F23 0.112(5) 0.249(9) 0.090(4) 0.000(5) 0.050(4) -0.117(6) O5 0.073(3) 0.064(3) 0.064(3) 0.024(2) 0.049(3) 0.025(2) O6 0.053(2) 0.051(2) 0.052(2) 0.0074(18) 0.036(2) 0.0096(18) C7 0.043(3) 0.036(3) 0.045(3) 0.003(2) 0.026(2) 0.005(2) C8 0.076(5) 0.070(4) 0.073(4) 0.024(4) 0.056(4) 0.030(4) F31 0.153(6) 0.103(4) 0.115(4) 0.008(3) 0.086(4) 0.068(4) F32 0.051(3) 0.150(6) 0.138(5) 0.029(4) 0.041(3) 0.028(3) F33 0.163(6) 0.127(5) 0.171(6) 0.106(5) 0.137(5) 0.101(5) O7 0.134(5) 0.041(2) 0.106(4) 0.012(3) 0.094(4) 0.005(3) C9 0.078(6) 0.026(4) 0.066(5) 0.000 0.047(5) 0.000 C10 0.24(2) 0.032(5) 0.123(12) 0.000 0.143(16) 0.000 F41 0.24(3) 0.072(10) 0.18(3) 0.018(11) 0.06(2) 0.084(14) F42 0.21(3) 0.038(7) 0.091(11) 0.016(7) 0.103(16) 0.015(13) F43 0.32(5) 0.068(12) 0.20(4) -0.029(16) 0.21(4) -0.09(2) O8 0.072(3) 0.035(2) 0.060(3) -0.0014(18) 0.036(2) 0.0087(19) C11 0.048(4) 0.031(4) 0.048(4) 0.000 0.022(4) 0.000 C12 0.194(18) 0.038(5) 0.073(8) 0.000 0.077(11) 0.000 F51 0.24(2) 0.087(11) 0.19(2) 0.022(13) 0.147(19) 0.086(14) F52 0.188(19) 0.060(11) 0.16(3) 0.046(11) 0.088(15) 0.067(13) F53 0.38(6) 0.040(7) 0.12(2) 0.014(10) 0.17(4) 0.01(2) N1 0.027(2) 0.040(2) 0.053(3) 0.0010(19) 0.0196(19) 0.0029(17) N2 0.025(2) 0.047(3) 0.056(3) 0.000(2) 0.014(2) 0.0005(18) O9 0.0286(18) 0.046(2) 0.060(2) -0.0016(18) 0.0172(18) -0.0051(16) C13 0.031(2) 0.039(3) 0.061(3) 0.012(2) 0.022(2) 0.004(2) C14 0.033(3) 0.043(3) 0.071(4) 0.010(3) 0.028(3) 0.000(2) C15 0.035(3) 0.046(3) 0.068(4) 0.020(3) 0.024(3) 0.008(2) C16 0.029(2) 0.050(3) 0.064(4) 0.012(3) 0.023(3) -0.002(2) C17 0.026(2) 0.039(2) 0.034(2) -0.0061(19) 0.0154(19) -0.0031(18) C18 0.026(2) 0.046(3) 0.038(2) -0.002(2) 0.015(2) -0.002(2) O1W 0.089(4) 0.082(4) 0.141(6) -0.026(4) 0.073(5) -0.033(3) O2W 0.071(3) 0.056(3) 0.094(4) -0.012(3) 0.048(3) -0.014(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 O3 2.264(4) . ? Ag1 C2 2.265(5) . ? Ag1 O5 2.400(4) . ? Ag1 C1 2.536(4) 2_655 ? Ag1 C2 2.588(4) 2_655 ? Ag1 Ag2 2.8227(5) . ? Ag1 Ag1 2.8436(7) 2_655 ? Ag1 Ag6 2.9697(7) . ? Ag1 Ag3 3.0934(6) . ? Ag1 Ag4 3.3249(6) 2_655 ? Ag1 Ag6 3.3301(7) 2_655 ? Ag2 C2 2.305(4) . ? Ag2 O4 2.327(4) . ? Ag2 C1 2.393(4) 5_656 ? Ag2 C2 2.666(5) 5_656 ? Ag2 Ag2 3.0069(8) 5_656 ? Ag2 Ag3 3.2065(7) . ? Ag2 Ag5 3.2153(6) 5_656 ? Ag2 Ag6 3.2750(7) . ? Ag2 Ag3 3.3609(7) 5_656 ? Ag4 C1 2.199(5) . ? Ag4 O9 2.216(4) . ? Ag4 O1 2.405(4) . ? Ag4 O5 2.546(5) 2_655 ? Ag4 Ag5 2.7520(7) . ? Ag4 Ag3 3.0851(7) . ? Ag4 Ag1 3.3249(6) 2_655 ? Ag3 O8 2.232(4) . ? Ag3 C2 2.369(5) . ? Ag3 O2 2.548(4) . ? Ag3 C1 2.651(5) . ? Ag3 Ag2 3.3609(7) 5_656 ? Ag6 O7 2.178(5) . ? Ag6 C2 2.222(5) . ? Ag6 O2 2.532(4) 5_656 ? Ag6 Ag6 3.3032(11) 2_655 ? Ag6 Ag1 3.3301(7) 2_655 ? Ag5 C1 2.158(5) . ? Ag5 N1 2.187(4) 5 ? Ag5 O1W 2.455(6) . ? Ag5 Ag2 3.2153(6) 5_656 ? C1 C2 1.245(6) . ? C1 Ag2 2.393(4) 5_656 ? C1 Ag1 2.536(4) 2_655 ? C2 Ag1 2.588(4) 2_655 ? C2 Ag2 2.666(5) 5_656 ? O1 C3 1.230(7) . ? O2 C3 1.238(7) . ? O2 Ag6 2.532(4) 5_656 ? C3 C4 1.529(10) . ? C4 F11 1.264(10) . ? C4 F13 1.296(10) . ? C4 F12 1.338(12) . ? O3 C5 1.238(7) . ? O4 C5 1.223(7) . ? C5 C6 1.542(9) . ? C6 F21 1.270(12) . ? C6 F23 1.298(10) . ? C6 F22 1.314(9) . ? O5 C7 1.236(7) . ? O5 Ag4 2.546(5) 2_655 ? O6 C7 1.233(7) . ? C7 C8 1.536(8) . ? C8 F31 1.291(10) . ? C8 F32 1.294(10) . ? C8 F33 1.299(9) . ? O7 C9 1.211(6) . ? C9 O7 1.211(6) 2_655 ? C9 C10 1.537(13) . ? C10 F42 1.19(2) 2_655 ? C10 F42 1.19(2) . ? C10 F43 1.24(3) . ? C10 F43 1.24(3) 2_655 ? C10 F41 1.53(2) 2_655 ? C10 F41 1.53(2) . ? F41 F42 1.52(4) . ? F41 F43 1.57(3) 2_655 ? F42 F43 0.75(5) . ? F43 F41 1.57(3) 2_655 ? O8 C11 1.229(5) . ? C11 O8 1.229(5) 2_655 ? C11 C12 1.549(13) . ? C12 F53 1.19(2) 2_655 ? C12 F53 1.19(2) . ? C12 F52 1.25(3) 2_655 ? C12 F52 1.25(3) . ? C12 F51 1.46(2) 2_655 ? C12 F51 1.46(2) . ? F51 F53 1.44(5) 2_655 ? F51 F52 1.56(3) . ? F52 F53 0.75(7) . ? F53 F51 1.44(5) 2_655 ? N1 C14 1.313(7) . ? N1 C15 1.335(8) . ? N1 Ag5 2.187(4) 5 ? N2 C18 1.312(7) . ? O9 C18 1.230(6) . ? C13 C17 1.377(7) . ? C13 C14 1.392(7) . ? C15 C16 1.396(8) . ? C16 C17 1.358(8) . ? C17 C18 1.507(6) . ? 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 O3 Ag1 C2 127.45(18) . . ? O3 Ag1 O5 88.92(19) . . ? C2 Ag1 O5 114.08(17) . . ? O3 Ag1 C1 87.00(16) . 2_655 ? C2 Ag1 C1 136.54(15) . 2_655 ? O5 Ag1 C1 88.88(15) . 2_655 ? O3 Ag1 C2 109.85(16) . 2_655 ? C2 Ag1 C2 108.45(13) . 2_655 ? O5 Ag1 C2 105.00(15) . 2_655 ? C1 Ag1 C2 28.09(14) 2_655 2_655 ? O3 Ag1 Ag2 85.64(12) . . ? C2 Ag1 Ag2 52.49(11) . . ? O5 Ag1 Ag2 85.76(11) . . ? C1 Ag1 Ag2 170.97(10) 2_655 . ? C2 Ag1 Ag2 160.94(10) 2_655 . ? O3 Ag1 Ag1 145.65(13) . 2_655 ? C2 Ag1 Ag1 59.61(11) . 2_655 ? O5 Ag1 Ag1 120.44(13) . 2_655 ? C1 Ag1 Ag1 77.01(10) 2_655 2_655 ? C2 Ag1 Ag1 49.01(10) 2_655 2_655 ? Ag2 Ag1 Ag1 111.99(2) . 2_655 ? O3 Ag1 Ag6 91.46(15) . . ? C2 Ag1 Ag6 47.95(12) . . ? O5 Ag1 Ag6 154.45(11) . . ? C1 Ag1 Ag6 116.66(11) 2_655 . ? C2 Ag1 Ag6 98.88(10) 2_655 . ? Ag2 Ag1 Ag6 68.807(16) . . ? Ag1 Ag1 Ag6 69.859(16) 2_655 . ? O3 Ag1 Ag3 143.69(12) . . ? C2 Ag1 Ag3 49.58(12) . . ? O5 Ag1 Ag3 68.40(12) . . ? C1 Ag1 Ag3 119.07(10) 2_655 . ? C2 Ag1 Ag3 103.43(11) 2_655 . ? Ag2 Ag1 Ag3 65.452(17) . . ? Ag1 Ag1 Ag3 69.412(15) 2_655 . ? Ag6 Ag1 Ag3 97.498(18) . . ? O3 Ag1 Ag4 75.98(15) . 2_655 ? C2 Ag1 Ag4 154.43(12) . 2_655 ? O5 Ag1 Ag4 49.66(11) . 2_655 ? C1 Ag1 Ag4 41.39(10) 2_655 2_655 ? C2 Ag1 Ag4 65.55(10) 2_655 2_655 ? Ag2 Ag1 Ag4 131.122(18) . 2_655 ? Ag1 Ag1 Ag4 108.299(18) 2_655 2_655 ? Ag6 Ag1 Ag4 154.07(2) . 2_655 ? Ag3 Ag1 Ag4 106.072(18) . 2_655 ? O3 Ag1 Ag6 89.17(13) . 2_655 ? C2 Ag1 Ag6 96.36(12) . 2_655 ? O5 Ag1 Ag6 142.60(11) . 2_655 ? C1 Ag1 Ag6 53.72(10) 2_655 2_655 ? C2 Ag1 Ag6 41.80(10) 2_655 2_655 ? Ag2 Ag1 Ag6 131.28(2) . 2_655 ? Ag1 Ag1 Ag6 56.848(14) 2_655 2_655 ? Ag6 Ag1 Ag6 62.94(2) . 2_655 ? Ag3 Ag1 Ag6 126.174(19) . 2_655 ? Ag4 Ag1 Ag6 93.818(16) 2_655 2_655 ? C2 Ag2 O4 125.64(16) . . ? C2 Ag2 C1 133.77(16) . 5_656 ? O4 Ag2 C1 99.54(15) . 5_656 ? C2 Ag2 C2 105.95(12) . 5_656 ? O4 Ag2 C2 126.66(14) . 5_656 ? C1 Ag2 C2 27.82(14) 5_656 5_656 ? C2 Ag2 Ag1 51.22(12) . . ? O4 Ag2 Ag1 78.12(10) . . ? C1 Ag2 Ag1 170.06(11) 5_656 . ? C2 Ag2 Ag1 155.07(10) 5_656 . ? C2 Ag2 Ag2 58.48(12) . 5_656 ? O4 Ag2 Ag2 167.40(12) . 5_656 ? C1 Ag2 Ag2 75.29(11) 5_656 5_656 ? C2 Ag2 Ag2 47.47(10) 5_656 5_656 ? Ag1 Ag2 Ag2 108.90(2) . 5_656 ? C2 Ag2 Ag3 47.53(12) . . ? O4 Ag2 Ag3 126.82(12) . . ? C1 Ag2 Ag3 114.40(11) 5_656 . ? C2 Ag2 Ag3 96.55(10) 5_656 . ? Ag1 Ag2 Ag3 61.347(16) . . ? Ag2 Ag2 Ag3 65.399(18) 5_656 . ? C2 Ag2 Ag5 152.60(12) . 5_656 ? O4 Ag2 Ag5 72.94(11) . 5_656 ? C1 Ag2 Ag5 42.16(11) 5_656 5_656 ? C2 Ag2 Ag5 65.61(10) 5_656 5_656 ? Ag1 Ag2 Ag5 128.66(2) . 5_656 ? Ag2 Ag2 Ag5 108.32(2) 5_656 5_656 ? Ag3 Ag2 Ag5 105.921(19) . 5_656 ? C2 Ag2 Ag6 42.67(12) . . ? O4 Ag2 Ag6 97.02(11) . . ? C1 Ag2 Ag6 132.20(11) 5_656 . ? C2 Ag2 Ag6 114.76(10) 5_656 . ? Ag1 Ag2 Ag6 57.719(15) . . ? Ag2 Ag2 Ag6 78.92(2) 5_656 . ? Ag3 Ag2 Ag6 89.396(16) . . ? Ag5 Ag2 Ag6 164.63(2) 5_656 . ? C2 Ag2 Ag3 100.16(12) . 5_656 ? O4 Ag2 Ag3 107.54(12) . 5_656 ? C1 Ag2 Ag3 51.59(11) 5_656 5_656 ? C2 Ag2 Ag3 44.47(10) 5_656 5_656 ? Ag1 Ag2 Ag3 138.35(2) . 5_656 ? Ag2 Ag2 Ag3 60.164(17) 5_656 5_656 ? Ag3 Ag2 Ag3 125.563(16) . 5_656 ? Ag5 Ag2 Ag3 91.119(17) 5_656 5_656 ? Ag6 Ag2 Ag3 80.686(18) . 5_656 ? C1 Ag4 O9 148.24(16) . . ? C1 Ag4 O1 114.70(15) . . ? O9 Ag4 O1 93.55(15) . . ? C1 Ag4 O5 93.22(15) . 2_655 ? O9 Ag4 O5 99.63(17) . 2_655 ? O1 Ag4 O5 93.24(17) . 2_655 ? C1 Ag4 Ag5 50.17(12) . . ? O9 Ag4 Ag5 98.39(11) . . ? O1 Ag4 Ag5 144.36(12) . . ? O5 Ag4 Ag5 117.38(11) 2_655 . ? C1 Ag4 Ag3 57.33(12) . . ? O9 Ag4 Ag3 154.43(11) . . ? O1 Ag4 Ag3 63.86(11) . . ? O5 Ag4 Ag3 71.56(12) 2_655 . ? Ag5 Ag4 Ag3 106.999(17) . . ? C1 Ag4 Ag1 49.68(12) . 2_655 ? O9 Ag4 Ag1 127.43(12) . 2_655 ? O1 Ag4 Ag1 121.21(12) . 2_655 ? O5 Ag4 Ag1 45.91(10) 2_655 2_655 ? Ag5 Ag4 Ag1 76.308(17) . 2_655 ? Ag3 Ag4 Ag1 63.656(15) . 2_655 ? O8 Ag3 C2 161.38(18) . . ? O8 Ag3 O2 86.43(17) . . ? C2 Ag3 O2 111.60(15) . . ? O8 Ag3 C1 158.84(15) . . ? C2 Ag3 C1 27.99(15) . . ? O2 Ag3 C1 98.23(14) . . ? O8 Ag3 Ag4 117.41(13) . . ? C2 Ag3 Ag4 72.07(11) . . ? O2 Ag3 Ag4 80.26(9) . . ? C1 Ag3 Ag4 44.28(10) . . ? O8 Ag3 Ag1 115.22(14) . . ? C2 Ag3 Ag1 46.70(11) . . ? O2 Ag3 Ag1 146.56(10) . . ? C1 Ag3 Ag1 71.06(10) . . ? Ag4 Ag3 Ag1 108.294(18) . . ? O8 Ag3 Ag2 131.97(12) . . ? C2 Ag3 Ag2 45.85(11) . . ? O2 Ag3 Ag2 93.36(10) . . ? C1 Ag3 Ag2 68.63(10) . . ? Ag4 Ag3 Ag2 109.802(18) . . ? Ag1 Ag3 Ag2 53.201(13) . . ? O8 Ag3 Ag2 145.89(14) . 5_656 ? C2 Ag3 Ag2 52.01(11) . 5_656 ? O2 Ag3 Ag2 59.61(10) . 5_656 ? C1 Ag3 Ag2 45.02(10) . 5_656 ? Ag4 Ag3 Ag2 63.370(15) . 5_656 ? Ag1 Ag3 Ag2 94.532(16) . 5_656 ? Ag2 Ag3 Ag2 54.437(16) . 5_656 ? O7 Ag6 C2 168.3(2) . . ? O7 Ag6 O2 89.24(19) . 5_656 ? C2 Ag6 O2 101.95(15) . 5_656 ? O7 Ag6 Ag1 131.41(16) . . ? C2 Ag6 Ag1 49.19(12) . . ? O2 Ag6 Ag1 104.81(10) 5_656 . ? O7 Ag6 Ag2 146.96(18) . . ? C2 Ag6 Ag2 44.66(11) . . ? O2 Ag6 Ag2 61.11(10) 5_656 . ? Ag1 Ag6 Ag2 53.474(14) . . ? O7 Ag6 Ag6 75.12(15) . 2_655 ? C2 Ag6 Ag6 97.99(12) . 2_655 ? O2 Ag6 Ag6 139.20(10) 5_656 2_655 ? Ag1 Ag6 Ag6 63.870(16) . 2_655 ? Ag2 Ag6 Ag6 117.01(2) . 2_655 ? O7 Ag6 Ag1 118.42(17) . 2_655 ? C2 Ag6 Ag1 50.93(11) . 2_655 ? O2 Ag6 Ag1 151.71(10) 5_656 2_655 ? Ag1 Ag6 Ag1 53.292(16) . 2_655 ? Ag2 Ag6 Ag1 90.657(16) . 2_655 ? Ag6 Ag6 Ag1 53.189(14) 2_655 2_655 ? C1 Ag5 N1 159.61(17) . 5 ? C1 Ag5 O1W 108.4(2) . . ? N1 Ag5 O1W 91.8(2) 5 . ? C1 Ag5 Ag4 51.49(12) . . ? N1 Ag5 Ag4 108.37(12) 5 . ? O1W Ag5 Ag4 154.59(18) . . ? C1 Ag5 Ag2 48.10(12) . 5_656 ? N1 Ag5 Ag2 127.27(14) 5 5_656 ? O1W Ag5 Ag2 111.38(19) . 5_656 ? Ag4 Ag5 Ag2 68.822(16) . 5_656 ? C2 C1 Ag5 140.7(4) . . ? C2 C1 Ag4 140.9(4) . . ? Ag5 C1 Ag4 78.34(15) . . ? C2 C1 Ag2 88.4(3) . 5_656 ? Ag5 C1 Ag2 89.74(16) . 5_656 ? Ag4 C1 Ag2 95.21(17) . 5_656 ? C2 C1 Ag1 78.3(3) . 2_655 ? Ag5 C1 Ag1 107.06(17) . 2_655 ? Ag4 C1 Ag1 88.93(15) . 2_655 ? Ag2 C1 Ag1 163.2(2) 5_656 2_655 ? C2 C1 Ag3 63.3(3) . . ? Ag5 C1 Ag3 155.0(2) . . ? Ag4 C1 Ag3 78.40(14) . . ? Ag2 C1 Ag3 83.39(14) 5_656 . ? Ag1 C1 Ag3 81.49(13) 2_655 . ? C1 C2 Ag6 100.8(3) . . ? C1 C2 Ag1 144.6(4) . . ? Ag6 C2 Ag1 82.87(16) . . ? C1 C2 Ag2 137.9(4) . . ? Ag6 C2 Ag2 92.66(17) . . ? Ag1 C2 Ag2 76.29(14) . . ? C1 C2 Ag3 88.7(3) . . ? Ag6 C2 Ag3 166.3(2) . . ? Ag1 C2 Ag3 83.71(16) . . ? Ag2 C2 Ag3 86.62(16) . . ? C1 C2 Ag1 73.6(3) . 2_655 ? Ag6 C2 Ag1 87.26(15) . 2_655 ? Ag1 C2 Ag1 71.38(13) . 2_655 ? Ag2 C2 Ag1 147.4(2) . 2_655 ? Ag3 C2 Ag1 86.05(15) . 2_655 ? C1 C2 Ag2 63.8(3) . 5_656 ? Ag6 C2 Ag2 109.41(18) . 5_656 ? Ag1 C2 Ag2 148.3(2) . 5_656 ? Ag2 C2 Ag2 74.05(12) . 5_656 ? Ag3 C2 Ag2 83.52(14) . 5_656 ? Ag1 C2 Ag2 136.25(18) 2_655 5_656 ? C3 O1 Ag4 123.5(4) . . ? C3 O2 Ag6 141.0(4) . 5_656 ? C3 O2 Ag3 101.7(4) . . ? Ag6 O2 Ag3 115.52(16) 5_656 . ? O1 C3 O2 128.0(6) . . ? O1 C3 C4 115.9(6) . . ? O2 C3 C4 116.1(6) . . ? F11 C4 F13 109.3(9) . . ? F11 C4 F12 106.7(10) . . ? F13 C4 F12 102.1(8) . . ? F11 C4 C3 114.4(7) . . ? F13 C4 C3 112.6(7) . . ? F12 C4 C3 110.8(7) . . ? C5 O3 Ag1 117.2(4) . . ? C5 O4 Ag2 124.6(4) . . ? O4 C5 O3 130.1(5) . . ? O4 C5 C6 116.0(5) . . ? O3 C5 C6 113.8(6) . . ? F21 C6 F23 107.0(9) . . ? F21 C6 F22 107.1(9) . . ? F23 C6 F22 106.1(7) . . ? F21 C6 C5 111.4(7) . . ? F23 C6 C5 112.2(7) . . ? F22 C6 C5 112.7(6) . . ? C7 O5 Ag1 123.1(4) . . ? C7 O5 Ag4 149.6(4) . 2_655 ? Ag1 O5 Ag4 84.43(14) . 2_655 ? O6 C7 O5 128.2(5) . . ? O6 C7 C8 116.9(5) . . ? O5 C7 C8 114.8(5) . . ? F31 C8 F32 105.1(7) . . ? F31 C8 F33 108.9(8) . . ? F32 C8 F33 105.5(8) . . ? F31 C8 C7 111.7(6) . . ? F32 C8 C7 111.3(7) . . ? F33 C8 C7 113.9(6) . . ? C9 O7 Ag6 128.1(5) . . ? O7 C9 O7 131.5(9) 2_655 . ? O7 C9 C10 114.2(4) 2_655 . ? O7 C9 C10 114.2(4) . . ? F42 C10 F42 125(2) 2_655 . ? F42 C10 F43 113.6(14) 2_655 . ? F42 C10 F43 36(2) . . ? F42 C10 F43 36(2) 2_655 2_655 ? F42 C10 F43 113.6(14) . 2_655 ? F43 C10 F43 127(3) . 2_655 ? F42 C10 F41 66.4(16) 2_655 2_655 ? F42 C10 F41 103.4(15) . 2_655 ? F43 C10 F41 68.0(15) . 2_655 ? F43 C10 F41 102.1(17) 2_655 2_655 ? F42 C10 F41 103.4(15) 2_655 . ? F42 C10 F41 66.4(16) . . ? F43 C10 F41 102.1(17) . . ? F43 C10 F41 68.0(15) 2_655 . ? F41 C10 F41 158.8(17) 2_655 . ? F42 C10 C9 117.4(11) 2_655 . ? F42 C10 C9 117.4(11) . . ? F43 C10 C9 116.4(17) . . ? F43 C10 C9 116.4(17) 2_655 . ? F41 C10 C9 100.6(8) 2_655 . ? F41 C10 C9 100.6(8) . . ? F42 F41 C10 46.2(9) . . ? F42 F41 F43 82.5(19) . 2_655 ? C10 F41 F43 47.1(14) . 2_655 ? F43 F42 C10 75(3) . . ? F43 F42 F41 142(5) . . ? C10 F42 F41 67.4(16) . . ? F42 F43 C10 69(4) . . ? F42 F43 F41 132(5) . 2_655 ? C10 F43 F41 64.9(15) . 2_655 ? C11 O8 Ag3 128.4(4) . . ? O8 C11 O8 131.6(8) . 2_655 ? O8 C11 C12 114.2(4) . . ? O8 C11 C12 114.2(4) 2_655 . ? F53 C12 F53 125(3) 2_655 . ? F53 C12 F52 36(3) 2_655 2_655 ? F53 C12 F52 118(2) . 2_655 ? F53 C12 F52 118(2) 2_655 . ? F53 C12 F52 36(3) . . ? F52 C12 F52 137(3) 2_655 . ? F53 C12 F51 102(2) 2_655 2_655 ? F53 C12 F51 65(2) . 2_655 ? F52 C12 F51 69.5(16) 2_655 2_655 ? F52 C12 F51 100.5(18) . 2_655 ? F53 C12 F51 65(2) 2_655 . ? F53 C12 F51 102(2) . . ? F52 C12 F51 100.5(18) 2_655 . ? F52 C12 F51 69.5(16) . . ? F51 C12 F51 153.3(19) 2_655 . ? F53 C12 C11 117.4(13) 2_655 . ? F53 C12 C11 117.4(13) . . ? F52 C12 C11 111.4(16) 2_655 . ? F52 C12 C11 111.4(16) . . ? F51 C12 C11 103.4(9) 2_655 . ? F51 C12 C11 103.4(9) . . ? F53 F51 C12 48.5(13) 2_655 . ? F53 F51 F52 88.8(19) 2_655 . ? C12 F51 F52 48.8(11) . . ? F53 F52 C12 68(4) . . ? F53 F52 F51 124(5) . . ? C12 F52 F51 61.7(15) . . ? F52 F53 C12 76(4) . . ? F52 F53 F51 143(4) . 2_655 ? C12 F53 F51 67(2) . 2_655 ? C14 N1 C15 118.0(5) . . ? C14 N1 Ag5 120.8(4) . 5 ? C15 N1 Ag5 120.8(4) . 5 ? C18 O9 Ag4 133.1(4) . . ? C17 C13 C14 119.0(5) . . ? N1 C14 C13 122.9(5) . . ? N1 C15 C16 122.4(5) . . ? C17 C16 C15 119.3(5) . . ? C16 C17 C13 118.4(5) . . ? C16 C17 C18 119.2(5) . . ? C13 C17 C18 122.3(5) . . ? O9 C18 N2 124.2(5) . . ? O9 C18 C17 117.0(5) . . ? N2 C18 C17 118.7(5) . . ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 28.01 _diffrn_measured_fraction_theta_full 0.996 _refine_diff_density_max 1.551 _refine_diff_density_min -1.606 _refine_diff_density_rms 0.153 data_z _database_code_depnum_ccdc_archive 'CCDC 237533' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C114 H70 Ag24 F54 N24 O48' _chemical_formula_weight 6158.82 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 Cc loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' _cell_length_a 18.3822(11) _cell_length_b 55.376(3) _cell_length_c 15.8726(10) _cell_angle_alpha 90.00 _cell_angle_beta 94.2860(10) _cell_angle_gamma 90.00 _cell_volume 16112.1(17) _cell_formula_units_Z 4 _cell_measurement_temperature 123(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description colorless _exptl_crystal_colour block _exptl_crystal_size_max 0.41 _exptl_crystal_size_mid 0.35 _exptl_crystal_size_min 0.24 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.539 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 11680 _exptl_absorpt_coefficient_mu 2.989 _exptl_absorpt_correction_type sadabs _exptl_absorpt_correction_T_min 0.764866 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 123(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 57985 _diffrn_reflns_av_R_equivalents 0.0265 _diffrn_reflns_av_sigmaI/netI 0.0430 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_k_min -64 _diffrn_reflns_limit_k_max 65 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 0.74 _diffrn_reflns_theta_max 25.00 _reflns_number_total 27674 _reflns_number_gt 26023 _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^)+(0.0293P)^2^+17.9247P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.010(14) _refine_ls_number_reflns 27674 _refine_ls_number_parameters 2377 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0354 _refine_ls_R_factor_gt 0.0327 _refine_ls_wR_factor_ref 0.0752 _refine_ls_wR_factor_gt 0.0731 _refine_ls_goodness_of_fit_ref 1.048 _refine_ls_restrained_S_all 1.048 _refine_ls_shift/su_max 0.002 _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 -0.82635(3) 0.107194(9) 0.97968(3) 0.01961(11) Uani 1 1 d . . . Ag2 Ag -0.82383(3) 0.439223(9) -0.01603(3) 0.01999(11) Uani 1 1 d . . . Ag3 Ag -0.82148(3) 0.227570(9) 0.47400(3) 0.02044(12) Uani 1 1 d . . . Ag4 Ag -0.85424(3) 0.401150(9) 0.22755(3) 0.01991(11) Uani 1 1 d . . . Ag5 Ag -0.71769(3) 0.288609(9) 0.65948(3) 0.02279(12) Uani 1 1 d . . . Ag6 Ag -0.85375(3) 0.265061(9) 0.72052(3) 0.02062(12) Uani 1 1 d . . . Ag7 Ag -0.69834(3) 0.096729(9) 1.22688(3) 0.01986(12) Uani 1 1 d . . . Ag8 Ag -0.71881(3) 0.378249(9) 0.16229(3) 0.02190(12) Uani 1 1 d . . . Ag9 Ag -0.70343(3) 0.433069(9) 0.21445(3) 0.02084(11) Uani 1 1 d . . . Ag10 Ag -0.87517(3) 0.448229(9) 0.16358(3) 0.02332(12) Uani 1 1 d . . . Ag11 Ag -0.70340(3) 0.234945(9) 0.70807(3) 0.02045(12) Uani 1 1 d . . . Ag12 Ag -0.85193(3) 0.065409(9) 1.23463(3) 0.02200(12) Uani 1 1 d . . . Ag13 Ag -0.71772(3) 0.043460(9) 1.17951(3) 0.02048(12) Uani 1 1 d . . . Ag14 Ag -0.88317(3) 0.276228(9) 0.54289(3) 0.02227(12) Uani 1 1 d . . . Ag15 Ag -0.88831(3) 0.060078(10) 1.05905(3) 0.02785(14) Uani 1 1 d . . . Ag16 Ag -0.85906(3) 0.115386(9) 1.15733(3) 0.02221(12) Uani 1 1 d . . . Ag17 Ag -0.72660(3) 0.278324(9) 0.48265(3) 0.02325(12) Uani 1 1 d . . . Ag18 Ag -0.87277(3) 0.217671(9) 0.64638(3) 0.02460(13) Uani 1 1 d . . . Ag19 Ag -0.87591(3) 0.388201(9) 0.05194(3) 0.02009(11) Uani 1 1 d . . . Ag20 Ag -0.72268(3) 0.060240(9) 1.00566(3) 0.02424(12) Uani 1 1 d . . . Ag21 Ag -0.66858(3) 0.440156(9) 0.03201(3) 0.02184(11) Uani 1 1 d . . . Ag22 Ag -0.72148(3) 0.389827(9) -0.01162(3) 0.02252(12) Uani 1 1 d . . . Ag23 Ag -0.66754(3) 0.227734(10) 0.52592(3) 0.02641(12) Uani 1 1 d . . . Ag24 Ag -0.68258(3) 0.116279(12) 1.04765(4) 0.04090(17) Uani 1 1 d . . . C1 C -0.7519(4) 0.41548(12) 0.0816(4) 0.0228(15) Uani 1 1 d . . . C2 C -0.8042(3) 0.41902(11) 0.1246(4) 0.0183(14) Uani 1 1 d . . . C3 C -0.7530(4) 0.25196(13) 0.5752(4) 0.0279(17) Uani 1 1 d . . . C4 C -0.8035(4) 0.24783(13) 0.6150(4) 0.0274(16) Uani 1 1 d . . . C5 C -0.7639(4) 0.09148(12) 1.0895(4) 0.0212(15) Uani 1 1 d . . . C6 C -0.7866(4) 0.07627(13) 1.1344(4) 0.0289(17) Uani 1 1 d . . . O1 O -0.9907(3) 0.38012(9) 0.1088(3) 0.0300(12) Uani 1 1 d . . . O2 O -0.9619(3) 0.38253(9) 0.2487(3) 0.0308(12) Uani 1 1 d . . . C7 C -1.0008(4) 0.37685(11) 0.1840(4) 0.0209(15) Uani 1 1 d . . . C8 C -1.0703(4) 0.36213(13) 0.2008(5) 0.0318(17) Uani 1 1 d . . . F11 F -1.1254(2) 0.36658(10) 0.1456(3) 0.0507(13) Uani 1 1 d . . . F12 F -1.0554(3) 0.33873(8) 0.1984(3) 0.0528(13) Uani 1 1 d . . . F13 F -1.0930(2) 0.36692(8) 0.2775(3) 0.0433(12) Uani 1 1 d . . . O3 O -0.5492(2) 0.22349(9) 0.5933(3) 0.0295(12) Uani 1 1 d . . . O4 O -0.5829(2) 0.22646(8) 0.7264(3) 0.0215(10) Uani 1 1 d . . . C9 C -0.5400(4) 0.22410(11) 0.6717(4) 0.0216(15) Uani 1 1 d . . . C10 C -0.4585(4) 0.22090(15) 0.7051(5) 0.0337(18) Uani 1 1 d . . . F21 F -0.4470(3) 0.22309(10) 0.7882(3) 0.0558(15) Uani 1 1 d . . . F22 F -0.4163(3) 0.23663(11) 0.6692(4) 0.0705(17) Uani 1 1 d . . . F23 F -0.4340(3) 0.19891(9) 0.6855(3) 0.0507(13) Uani 1 1 d . . . O5 O -0.7611(2) 0.27359(8) 0.3381(3) 0.0228(10) Uani 1 1 d . . . O6 O -0.7832(2) 0.23341(8) 0.3385(3) 0.0245(11) Uani 1 1 d . . . C11 C -0.7644(3) 0.25272(12) 0.3072(4) 0.0178(14) Uani 1 1 d . . . C12 C -0.7393(4) 0.25098(12) 0.2170(4) 0.0238(15) Uani 1 1 d . . . F31 F -0.7630(2) 0.23103(7) 0.1779(2) 0.0306(10) Uani 1 1 d . . . F32 F -0.7642(2) 0.26954(7) 0.1695(2) 0.0347(10) Uani 1 1 d . . . F33 F -0.6671(2) 0.25141(8) 0.2180(3) 0.0375(11) Uani 1 1 d . . . O7 O -0.7589(2) 0.39301(8) -0.1555(3) 0.0216(10) Uani 1 1 d . . . O8 O -0.7822(2) 0.43301(8) -0.1520(3) 0.0222(10) Uani 1 1 d . . . C13 C -0.7644(3) 0.41398(12) -0.1856(4) 0.0191(14) Uani 1 1 d . . . C14 C -0.7458(4) 0.41597(12) -0.2781(4) 0.0242(15) Uani 1 1 d . . . F41 F -0.7731(2) 0.43604(7) -0.3142(2) 0.0357(10) Uani 1 1 d . . . F42 F -0.7711(3) 0.39746(7) -0.3236(2) 0.0386(11) Uani 1 1 d . . . F43 F -0.6737(2) 0.41676(8) -0.2824(3) 0.0395(11) Uani 1 1 d . . . O9 O -0.8783(3) 0.47502(8) -0.0388(3) 0.0314(12) Uani 1 1 d . . . O10 O -0.8915(3) 0.48576(9) 0.0968(3) 0.0303(12) Uani 1 1 d . . . C15 C -0.8970(4) 0.48830(12) 0.0177(4) 0.0240(16) Uani 1 1 d . . . C16 C -0.9341(5) 0.51172(14) -0.0135(5) 0.039(2) Uani 1 1 d . . . F51 F -1.0069(3) 0.50859(11) -0.0169(4) 0.083(2) Uani 1 1 d . . . F52 F -0.9154(3) 0.51894(8) -0.0876(3) 0.0492(13) Uani 1 1 d . . . F53 F -0.9214(4) 0.53013(9) 0.0384(3) 0.0669(17) Uani 1 1 d . . . O11 O -0.6986(3) 0.00591(9) 1.1201(3) 0.0330(12) Uani 1 1 d . . . O12 O -0.6946(3) 0.02083(8) 0.9890(3) 0.0293(12) Uani 1 1 d . . . C17 C -0.6912(4) 0.00451(12) 1.0437(4) 0.0246(16) Uani 1 1 d . . . C18 C -0.6758(5) -0.02093(13) 1.0114(5) 0.0358(19) Uani 1 1 d . . . F61 F -0.7266(4) -0.03639(9) 1.0301(4) 0.088(2) Uani 1 1 d . . . F62 F -0.6737(4) -0.02175(9) 0.9284(3) 0.0727(18) Uani 1 1 d . . . F63 F -0.6128(3) -0.02903(10) 1.0442(3) 0.0697(18) Uani 1 1 d . . . O13 O -0.6836(3) 0.35183(9) -0.0293(3) 0.0306(12) Uani 1 1 d . . . O14 O -0.7003(3) 0.33986(8) 0.1021(3) 0.0332(12) Uani 1 1 d . . . C19 C -0.6842(4) 0.33688(13) 0.0292(4) 0.0250(16) Uani 1 1 d . . . C20 C -0.6604(5) 0.31096(14) 0.0065(5) 0.039(2) Uani 1 1 d . . . F71 F -0.6851(6) 0.29486(10) 0.0533(5) 0.160(5) Uani 1 1 d . . . F72 F -0.5895(3) 0.30879(10) 0.0133(5) 0.091(2) Uani 1 1 d . . . F73 F -0.6810(4) 0.30521(11) -0.0713(4) 0.088(2) Uani 1 1 d . . . O15 O -1.0030(3) 0.05151(9) 1.1128(3) 0.0334(12) Uani 1 1 d . . . O16 O -0.9643(3) 0.05040(9) 1.2500(3) 0.0318(12) Uani 1 1 d . . . C21 C -1.0074(4) 0.04650(12) 1.1880(4) 0.0225(15) Uani 1 1 d . . . C22 C -1.0778(4) 0.03262(14) 1.2083(5) 0.0372(19) Uani 1 1 d . . . F81 F -1.0629(3) 0.00923(9) 1.2115(4) 0.0660(16) Uani 1 1 d . . . F82 F -1.1005(3) 0.03926(10) 1.2825(3) 0.0530(13) Uani 1 1 d . . . F83 F -1.1328(2) 0.03554(8) 1.1507(3) 0.0431(12) Uani 1 1 d . . . O17 O -0.5613(3) 0.11811(9) 1.1037(3) 0.0342(12) Uani 1 1 d . . . O18 O -0.5819(2) 0.10963(8) 1.2384(3) 0.0256(11) Uani 1 1 d . . . C23 C -0.5448(4) 0.11520(13) 1.1796(5) 0.0265(16) Uani 1 1 d . . . C24 C -0.4626(4) 0.11830(16) 1.2033(5) 0.040(2) Uani 1 1 d . . . F91 F -0.4239(3) 0.10310(11) 1.1579(4) 0.0737(17) Uani 1 1 d . . . F92 F -0.4427(3) 0.11417(10) 1.2835(3) 0.0584(15) Uani 1 1 d . . . F93 F -0.4401(2) 0.14053(9) 1.1844(3) 0.0500(13) Uani 1 1 d . . . O19 O -0.8317(2) 0.07996(8) 1.3721(3) 0.0203(10) Uani 1 1 d . . . O20 O -0.7115(2) 0.08862(8) 1.3686(3) 0.0248(11) Uani 1 1 d . . . C25 C -0.7701(4) 0.08706(11) 1.4019(4) 0.0192(14) Uani 1 1 d . . . C26 C -0.7667(4) 0.09519(14) 1.4956(4) 0.0280(17) Uani 1 1 d . . . F101 F -0.7658(3) 0.11904(8) 1.5004(3) 0.0480(12) Uani 1 1 d . . . F102 F -0.7053(2) 0.08749(8) 1.5371(2) 0.0333(10) Uani 1 1 d . . . F103 F -0.8223(2) 0.08710(9) 1.5354(3) 0.0449(13) Uani 1 1 d . . . O21 O -0.8819(3) 0.14335(9) 0.9522(3) 0.0295(11) Uani 1 1 d . . . O22 O -0.8786(3) 0.15379(8) 1.0909(3) 0.0268(11) Uani 1 1 d . . . C27 C -0.8912(4) 0.15661(12) 1.0125(4) 0.0242(16) Uani 1 1 d . . . C28 C -0.9246(4) 0.18116(13) 0.9887(5) 0.0315(17) Uani 1 1 d . . . F111 F -0.9987(3) 0.17927(10) 0.9849(4) 0.0620(15) Uani 1 1 d . . . F112 F -0.9070(3) 0.18930(8) 0.9142(3) 0.0417(11) Uani 1 1 d . . . F113 F -0.9092(3) 0.19856(8) 1.0437(3) 0.0557(15) Uani 1 1 d . . . O23 O -0.6938(3) 0.31697(8) 0.4673(3) 0.0291(11) Uani 1 1 d . . . O24 O -0.7010(3) 0.32786(8) 0.6030(3) 0.0304(12) Uani 1 1 d . . . C29 C -0.6912(4) 0.33127(12) 0.5288(4) 0.0257(16) Uani 1 1 d . . . C30 C -0.6689(5) 0.35720(13) 0.5062(5) 0.0336(18) Uani 1 1 d . . . F121 F -0.7016(5) 0.37334(9) 0.5490(5) 0.123(3) Uani 1 1 d . . . F122 F -0.6866(3) 0.36308(10) 0.4268(3) 0.0758(19) Uani 1 1 d . . . F123 F -0.5991(3) 0.36080(10) 0.5185(4) 0.078(2) Uani 1 1 d . . . O25 O -0.7155(2) 0.24261(8) 0.8530(3) 0.0253(11) Uani 1 1 d . . . O26 O -0.8356(2) 0.24958(8) 0.8577(3) 0.0190(10) Uani 1 1 d . . . C31 C -0.7744(4) 0.24336(11) 0.8867(4) 0.0200(14) Uani 1 1 d . . . C32 C -0.7684(4) 0.23571(12) 0.9805(4) 0.0224(15) Uani 1 1 d . . . F131 F -0.7658(2) 0.21194(8) 0.9867(3) 0.0381(11) Uani 1 1 d . . . F132 F -0.7087(2) 0.24433(9) 1.0215(2) 0.0396(11) Uani 1 1 d . . . F133 F -0.8266(2) 0.24305(8) 1.0197(2) 0.0326(10) Uani 1 1 d . . . O27 O -0.9961(3) 0.28510(9) 0.6000(3) 0.0298(11) Uani 1 1 d . . . O28 O -0.9618(3) 0.28346(9) 0.7386(3) 0.0294(12) Uani 1 1 d . . . C33 C -1.0039(4) 0.28829(11) 0.6760(4) 0.0211(15) Uani 1 1 d . . . C34 C -1.0738(4) 0.30145(13) 0.6974(5) 0.0295(17) Uani 1 1 d . . . F141 F -1.0629(3) 0.32506(8) 0.6993(4) 0.0584(14) Uani 1 1 d . . . F142 F -1.0966(2) 0.29463(9) 0.7708(3) 0.0501(13) Uani 1 1 d . . . F143 F -1.1291(2) 0.29794(9) 0.6392(3) 0.0469(12) Uani 1 1 d . . . O29 O -0.7835(3) 0.10408(8) 0.8451(3) 0.0248(11) Uani 1 1 d . . . O30 O -0.7577(3) 0.06438(8) 0.8576(3) 0.0285(11) Uani 1 1 d . . . C35 C -0.7613(4) 0.08436(12) 0.8212(4) 0.0216(15) Uani 1 1 d . . . C36 C -0.7332(4) 0.08461(12) 0.7325(4) 0.0217(15) Uani 1 1 d . . . F151 F -0.6610(2) 0.08607(9) 0.7369(3) 0.0419(11) Uani 1 1 d . . . F152 F -0.7519(3) 0.06453(7) 0.6897(2) 0.0390(11) Uani 1 1 d . . . F153 F -0.7591(2) 0.10308(7) 0.6867(2) 0.0341(10) Uani 1 1 d . . . O31 O -0.8663(3) 0.19011(8) 0.4508(3) 0.0293(11) Uani 1 1 d . . . O32 O -0.8881(3) 0.17910(9) 0.5833(3) 0.0303(12) Uani 1 1 d . . . C37 C -0.8878(4) 0.17672(13) 0.5052(5) 0.0264(16) Uani 1 1 d . . . C38 C -0.9220(4) 0.15350(14) 0.4706(5) 0.0359(19) Uani 1 1 d . . . F161 F -0.9892(3) 0.15698(13) 0.4444(6) 0.149(4) Uani 1 1 d . . . F162 F -0.9226(4) 0.13579(10) 0.5255(4) 0.091(2) Uani 1 1 d . . . F163 F -0.8896(3) 0.14412(8) 0.4074(3) 0.0581(15) Uani 1 1 d . . . O33 O -0.7148(3) 0.42323(8) 0.3597(3) 0.0243(10) Uani 1 1 d . . . O34 O -0.8339(2) 0.41556(8) 0.3640(3) 0.0230(10) Uani 1 1 d . . . C39 C -0.7737(4) 0.42254(11) 0.3932(4) 0.0181(14) Uani 1 1 d . . . C40 C -0.7711(4) 0.43223(14) 0.4848(4) 0.0254(16) Uani 1 1 d . . . F171 F -0.7094(2) 0.42585(9) 0.5289(2) 0.0397(11) Uani 1 1 d . . . F172 F -0.7745(3) 0.45585(8) 0.4855(3) 0.0466(12) Uani 1 1 d . . . F173 F -0.8267(2) 0.42375(9) 0.5254(3) 0.0397(11) Uani 1 1 d . . . O35 O -0.5855(2) 0.44394(8) 0.2333(3) 0.0242(11) Uani 1 1 d . . . O36 O -0.5503(2) 0.44525(9) 0.1005(3) 0.0268(11) Uani 1 1 d . . . C41 C -0.5415(4) 0.44596(11) 0.1788(4) 0.0210(15) Uani 1 1 d . . . C42 C -0.4623(4) 0.45183(13) 0.2122(4) 0.0272(16) Uani 1 1 d . . . F181 F -0.4452(2) 0.47477(8) 0.1962(3) 0.0428(11) Uani 1 1 d . . . F182 F -0.4144(2) 0.43811(9) 0.1743(4) 0.0564(14) Uani 1 1 d . . . F183 F -0.4491(3) 0.44847(9) 0.2947(3) 0.0489(13) Uani 1 1 d . . . O100 O -1.1086(4) 0.42591(15) 0.4641(5) 0.109(4) Uani 1 1 d . . . N1 N -0.9733(3) 0.45382(10) 0.2414(3) 0.0247(13) Uani 1 1 d . . . N2 N -1.0080(5) 0.40969(17) 0.4474(6) 0.107(4) Uani 1 1 d . . . C100 C -1.0439(3) 0.44198(12) 0.3553(4) 0.0217(15) Uani 1 1 d . . . C101 C -0.9862(4) 0.43934(12) 0.3049(4) 0.0235(15) Uani 1 1 d . . . H10A H -0.9543 0.4265 0.3164 0.028 Uiso 1 1 calc R . . C102 C -1.0177(4) 0.47272(12) 0.2259(4) 0.0241(15) Uani 1 1 d . . . H10B H -1.0089 0.4833 0.1822 0.029 Uiso 1 1 calc R . . C103 C -1.0768(4) 0.47696(13) 0.2738(4) 0.0285(17) Uani 1 1 d . . . H10C H -1.1071 0.4902 0.2617 0.034 Uiso 1 1 calc R . . C104 C -1.0904(4) 0.46163(12) 0.3390(4) 0.0251(16) Uani 1 1 d . . . H10D H -1.1297 0.4643 0.3716 0.030 Uiso 1 1 calc R . . C105 C -1.0560(4) 0.42520(12) 0.4263(4) 0.0227(15) Uani 1 1 d . . . O101 O -0.6121(3) 0.25970(9) 0.4360(3) 0.0354(13) Uani 1 1 d . . . C108 C -0.5713(4) 0.31358(13) 0.2567(5) 0.0329(18) Uani 1 1 d . . . H10E H -0.6008 0.3270 0.2456 0.039 Uiso 1 1 calc R . . N4 N -0.4947(3) 0.25022(10) 0.4437(4) 0.0309(15) Uani 1 1 d . . . H4A H -0.4997 0.2409 0.4863 0.037 Uiso 1 1 calc R . . H4B H -0.4525 0.2519 0.4242 0.037 Uiso 1 1 calc R . . C106 C -0.5400(3) 0.27866(11) 0.3371(4) 0.0191(14) Uani 1 1 d . . . C107 C -0.5851(4) 0.29818(13) 0.3208(4) 0.0282(16) Uani 1 1 d . . . H10F H -0.6245 0.3009 0.3531 0.034 Uiso 1 1 calc R . . C109 C -0.5132(4) 0.30907(12) 0.2081(4) 0.0265(16) Uani 1 1 d . . . H10G H -0.5038 0.3198 0.1650 0.032 Uiso 1 1 calc R . . N3 N -0.4703(3) 0.28976(10) 0.2215(3) 0.0250(13) Uani 1 1 d . . . C110 C -0.4838(4) 0.27509(12) 0.2850(4) 0.0226(15) Uani 1 1 d . . . H11A H -0.4538 0.2617 0.2949 0.027 Uiso 1 1 calc R . . C111 C -0.5515(3) 0.26196(12) 0.4084(4) 0.0213(15) Uani 1 1 d . . . O102 O -0.7964(3) 0.30464(9) -0.2408(3) 0.0324(12) Uani 1 1 d . . . N5 N -0.8798(3) 0.35282(9) -0.0179(3) 0.0206(12) Uani 1 1 d . . . N6 N -0.7742(3) 0.34467(10) -0.2440(3) 0.0255(13) Uani 1 1 d . . . H6A H -0.7516 0.3434 -0.2893 0.031 Uiso 1 1 calc R . . H6B H -0.7789 0.3586 -0.2208 0.031 Uiso 1 1 calc R . . C112 C -0.8392(4) 0.32786(12) -0.1297(4) 0.0241(15) Uani 1 1 d . . . C113 C -0.8503(3) 0.34986(11) -0.0928(4) 0.0198(14) Uani 1 1 d . . . H11B H -0.8367 0.3636 -0.1211 0.024 Uiso 1 1 calc R . . C114 C -0.8993(5) 0.33274(14) 0.0216(5) 0.041(2) Uani 1 1 d . . . H11C H -0.9186 0.3343 0.0739 0.049 Uiso 1 1 calc R . . C115 C -0.8922(5) 0.30984(14) -0.0114(5) 0.048(2) Uani 1 1 d . . . H11D H -0.9068 0.2963 0.0177 0.057 Uiso 1 1 calc R . . C116 C -0.8627(5) 0.30759(14) -0.0890(5) 0.043(2) Uani 1 1 d . . . H11E H -0.8588 0.2924 -0.1136 0.051 Uiso 1 1 calc R . . C117 C -0.8020(4) 0.32494(12) -0.2094(4) 0.0227(15) Uani 1 1 d . . . O103 O -0.7681(3) 0.46969(8) 0.2571(3) 0.0308(12) Uani 1 1 d . . . N7 N -0.6642(3) 0.52378(10) 0.4648(3) 0.0220(12) Uani 1 1 d . . . N8 N -0.7947(3) 0.50857(11) 0.2417(4) 0.0358(16) Uani 1 1 d . . . H8A H -0.8255 0.5055 0.1996 0.043 Uiso 1 1 calc R . . H8B H -0.7877 0.5232 0.2584 0.043 Uiso 1 1 calc R . . C118 C -0.7058(4) 0.49660(11) 0.3537(4) 0.0192(14) Uani 1 1 d . . . C119 C -0.7097(4) 0.51780(13) 0.3986(4) 0.0257(16) Uani 1 1 d . . . H11F H -0.7465 0.5287 0.3817 0.031 Uiso 1 1 calc R . . C120 C -0.6107(4) 0.50826(13) 0.4866(4) 0.0280(16) Uani 1 1 d . . . H12A H -0.5778 0.5121 0.5319 0.034 Uiso 1 1 calc R . . C121 C -0.6022(4) 0.48699(14) 0.4455(5) 0.043(2) Uani 1 1 d . . . H12B H -0.5645 0.4766 0.4635 0.051 Uiso 1 1 calc R . . C122 C -0.6494(4) 0.48083(13) 0.3769(5) 0.0344(18) Uani 1 1 d . . . H12C H -0.6434 0.4666 0.3473 0.041 Uiso 1 1 calc R . . C123 C -0.7582(4) 0.49075(12) 0.2808(4) 0.0237(15) Uani 1 1 d . . . O104 O -0.7602(3) 0.13605(9) 1.2549(3) 0.0324(12) Uani 1 1 d . . . N9 N -0.6580(3) 0.19195(10) 1.4589(3) 0.0243(13) Uani 1 1 d . . . N10 N -0.7847(3) 0.17520(10) 1.2339(4) 0.0314(15) Uani 1 1 d . . . H10H H -0.8154 0.1720 1.1919 0.038 Uiso 1 1 calc R . . H10I H -0.7767 0.1899 1.2489 0.038 Uiso 1 1 calc R . . C124 C -0.6981(4) 0.16358(12) 1.3510(4) 0.0213(15) Uani 1 1 d . . . C125 C -0.7027(4) 0.18529(12) 1.3920(4) 0.0226(15) Uani 1 1 d . . . H12D H -0.7389 0.1961 1.3723 0.027 Uiso 1 1 calc R . . C126 C -0.6058(4) 0.17631(13) 1.4843(5) 0.0321(18) Uani 1 1 d . . . H12E H -0.5739 0.1805 1.5302 0.039 Uiso 1 1 calc R . . C127 C -0.5967(4) 0.15438(13) 1.4466(5) 0.042(2) Uani 1 1 d . . . H12F H -0.5594 0.1441 1.4665 0.051 Uiso 1 1 calc R . . C128 C -0.6437(4) 0.14787(13) 1.3785(5) 0.0337(18) Uani 1 1 d . . . H12G H -0.6386 0.1331 1.3518 0.040 Uiso 1 1 calc R . . C129 C -0.7494(3) 0.15737(13) 1.2757(4) 0.0221(15) Uani 1 1 d . . . O105 O -0.7628(3) 0.19665(8) 0.7368(3) 0.0300(12) Uani 1 1 d . . . N11 N -0.6655(3) 0.14842(11) 0.9661(4) 0.0322(15) Uani 1 1 d . . . N12 N -0.7961(3) 0.15821(10) 0.7394(4) 0.0309(14) Uani 1 1 d . . . H12H H -0.8267 0.1602 0.6963 0.037 Uiso 1 1 calc R . . H12I H -0.7911 0.1443 0.7629 0.037 Uiso 1 1 calc R . . C130 C -0.7030(4) 0.17225(11) 0.8437(4) 0.0192(14) Uani 1 1 d . . . C131 C -0.7125(4) 0.15379(12) 0.8996(4) 0.0266(16) Uani 1 1 d . . . H13A H -0.7542 0.1443 0.8909 0.032 Uiso 1 1 calc R . . C132 C -0.6070(4) 0.16221(13) 0.9782(4) 0.0278(16) Uani 1 1 d . . . H13B H -0.5736 0.1589 1.0237 0.033 Uiso 1 1 calc R . . C133 C -0.5935(4) 0.18140(13) 0.9257(5) 0.0334(18) Uani 1 1 d . . . H13C H -0.5519 0.1908 0.9366 0.040 Uiso 1 1 calc R . . C134 C -0.6414(4) 0.18658(12) 0.8577(4) 0.0242(15) Uani 1 1 d . . . H13D H -0.6327 0.1994 0.8218 0.029 Uiso 1 1 calc R . . C135 C -0.7565(4) 0.17668(12) 0.7694(4) 0.0209(14) Uani 1 1 d . . . O106 O -0.9443(3) 0.08747(9) 0.9522(3) 0.0317(12) Uani 1 1 d . . . N13 N -1.1018(3) 0.11904(9) 0.7256(3) 0.0215(12) Uani 1 1 d . . . N14 N -1.0642(3) 0.07977(10) 0.9533(3) 0.0257(13) Uani 1 1 d . . . H14A H -1.0582 0.0715 0.9991 0.031 Uiso 1 1 calc R . . H14B H -1.1072 0.0817 0.9290 0.031 Uiso 1 1 calc R . . C136 C -1.0194(4) 0.10306(12) 0.8371(4) 0.0238(15) Uani 1 1 d . . . C137 C -1.0895(4) 0.10929(11) 0.8043(4) 0.0190(14) Uani 1 1 d . . . H13F H -1.1288 0.1067 0.8370 0.023 Uiso 1 1 calc R . . C138 C -1.0443(4) 0.12374(13) 0.6813(5) 0.0324(18) Uani 1 1 d . . . H13G H -1.0522 0.1303 0.6275 0.039 Uiso 1 1 calc R . . C139 C -0.9731(4) 0.11911(15) 0.7127(5) 0.040(2) Uani 1 1 d . . . H13H H -0.9342 0.1231 0.6810 0.048 Uiso 1 1 calc R . . C140 C -0.9604(4) 0.10857(13) 0.7917(5) 0.0312(18) Uani 1 1 d . . . H14C H -0.9131 0.1053 0.8137 0.037 Uiso 1 1 calc R . . C141 C -1.0064(4) 0.08973(11) 0.9196(4) 0.0241(16) Uani 1 1 d . . . O107 O -0.9385(2) 0.41765(9) -0.0472(3) 0.0281(11) Uani 1 1 d . . . N15 N -1.1006(3) 0.45462(10) -0.2584(3) 0.0225(12) Uani 1 1 d . . . N16 N -1.0588(3) 0.41175(10) -0.0395(3) 0.0271(13) Uani 1 1 d . . . H16A H -1.0519 0.4027 0.0043 0.033 Uiso 1 1 calc R . . H16B H -1.1024 0.4146 -0.0605 0.033 Uiso 1 1 calc R . . C142 C -1.0169(4) 0.43616(11) -0.1538(4) 0.0209(15) Uani 1 1 d . . . C143 C -1.0863(4) 0.44356(11) -0.1830(4) 0.0219(15) Uani 1 1 d . . . H14D H -1.1247 0.4408 -0.1492 0.026 Uiso 1 1 calc R . . C144 C -1.0451(4) 0.45948(13) -0.3046(5) 0.0329(18) Uani 1 1 d . . . H14E H -1.0547 0.4668 -0.3569 0.040 Uiso 1 1 calc R . . C145 C -0.9737(4) 0.45406(15) -0.2782(5) 0.042(2) Uani 1 1 d . . . H14F H -0.9359 0.4583 -0.3111 0.050 Uiso 1 1 calc R . . C146 C -0.9593(4) 0.44233(14) -0.2025(5) 0.0315(18) Uani 1 1 d . . . H14G H -0.9115 0.4385 -0.1838 0.038 Uiso 1 1 calc R . . C147 C -1.0016(4) 0.42136(11) -0.0753(4) 0.0203(14) Uani 1 1 d . . . O108 O -0.9450(2) 0.24457(9) 0.4527(3) 0.0290(12) Uani 1 1 d . . . N17 N -1.1037(3) 0.21125(9) 0.2306(3) 0.0201(12) Uani 1 1 d . . . N18 N -1.0640(3) 0.25426(10) 0.4486(4) 0.0270(13) Uani 1 1 d . . . H18A H -1.0576 0.2632 0.4929 0.032 Uiso 1 1 calc R . . H18B H -1.1069 0.2527 0.4235 0.032 Uiso 1 1 calc R . . C148 C -1.0214(4) 0.22721(12) 0.3405(4) 0.0232(15) Uani 1 1 d . . . C149 C -1.0907(4) 0.22267(11) 0.3041(4) 0.0202(15) Uani 1 1 d . . . H14H H -1.1304 0.2279 0.3324 0.024 Uiso 1 1 calc R . . C150 C -1.0465(4) 0.20331(14) 0.1929(5) 0.0333(18) Uani 1 1 d . . . H15B H -1.0546 0.1956 0.1410 0.040 Uiso 1 1 calc R . . C151 C -0.9756(4) 0.20590(16) 0.2261(5) 0.045(2) Uani 1 1 d . . . H15C H -0.9372 0.1993 0.1987 0.054 Uiso 1 1 calc R . . C152 C -0.9624(4) 0.21844(14) 0.3011(4) 0.0309(17) Uani 1 1 d . . . H15D H -0.9150 0.2209 0.3244 0.037 Uiso 1 1 calc R . . C153 C -1.0069(4) 0.24275(12) 0.4184(4) 0.0209(15) Uani 1 1 d . . . O109 O -0.6094(3) 0.40957(9) -0.0614(3) 0.0317(12) Uani 1 1 d . . . N19 N -0.4604(3) 0.38009(10) -0.2717(3) 0.0211(12) Uani 1 1 d . . . N20 N -0.4905(3) 0.41804(11) -0.0453(4) 0.0290(14) Uani 1 1 d . . . H20A H -0.4965 0.4270 -0.0020 0.035 Uiso 1 1 calc R . . H20B H -0.4477 0.4162 -0.0627 0.035 Uiso 1 1 calc R . . C154 C -0.5349(3) 0.39180(12) -0.1587(4) 0.0209(15) Uani 1 1 d . . . C155 C -0.4727(4) 0.39356(12) -0.2030(4) 0.0221(15) Uani 1 1 d . . . H15E H -0.4373 0.4047 -0.1842 0.027 Uiso 1 1 calc R . . C156 C -0.5098(4) 0.36351(13) -0.2963(5) 0.0296(17) Uani 1 1 d . . . H15F H -0.5017 0.3538 -0.3426 0.035 Uiso 1 1 calc R . . C157 C -0.5737(4) 0.36017(13) -0.2547(4) 0.0326(18) Uani 1 1 d . . . H15G H -0.6076 0.3485 -0.2734 0.039 Uiso 1 1 calc R . . C158 C -0.5857(4) 0.37439(13) -0.1858(4) 0.0290(17) Uani 1 1 d . . . H15H H -0.6277 0.3723 -0.1575 0.035 Uiso 1 1 calc R . . C159 C -0.5466(3) 0.40729(12) -0.0849(4) 0.0203(15) Uani 1 1 d . . . O111 O -0.8009(3) 0.02436(9) 1.2717(3) 0.0391(14) Uani 1 1 d . . . N23 N -0.8878(3) -0.02391(9) 1.4908(3) 0.0199(12) Uani 1 1 d . . . N24 N -0.7742(3) -0.01499(10) 1.2709(3) 0.0253(13) Uani 1 1 d . . . H24A H -0.7515 -0.0137 1.2257 0.030 Uiso 1 1 calc R . . H24B H -0.7775 -0.0288 1.2949 0.030 Uiso 1 1 calc R . . C166 C -0.8456(4) 0.00099(12) 1.3804(4) 0.0256(16) Uani 1 1 d . . . C167 C -0.8556(3) -0.02109(11) 1.4179(4) 0.0181(14) Uani 1 1 d . . . H16C H -0.8391 -0.0348 1.3914 0.022 Uiso 1 1 calc R . . C168 C -0.9124(4) -0.00423(14) 1.5261(5) 0.041(2) Uani 1 1 d . . . H16D H -0.9356 -0.0058 1.5760 0.049 Uiso 1 1 calc R . . C169 C -0.9055(5) 0.01869(13) 1.4927(6) 0.055(3) Uani 1 1 d . . . H16E H -0.9225 0.0322 1.5202 0.066 Uiso 1 1 calc R . . C170 C -0.8734(5) 0.02112(14) 1.4189(6) 0.049(2) Uani 1 1 d . . . H17B H -0.8700 0.0363 1.3942 0.059 Uiso 1 1 calc R . . C171 C -0.8045(4) 0.00455(13) 1.3041(4) 0.0259(16) Uani 1 1 d . . . O110 O -0.7967(3) 0.36138(9) 0.2581(3) 0.0367(13) Uani 1 1 d . . . N21 N -0.8868(3) 0.31182(9) 0.4731(3) 0.0205(12) Uani 1 1 d . . . N22 N -0.7734(3) 0.32166(9) 0.2527(3) 0.0220(13) Uani 1 1 d . . . H22A H -0.7494 0.3234 0.2086 0.026 Uiso 1 1 calc R . . H22B H -0.7783 0.3076 0.2742 0.026 Uiso 1 1 calc R . . C160 C -0.8422(4) 0.33742(12) 0.3664(4) 0.0219(15) Uani 1 1 d . . . C161 C -0.8572(3) 0.31507(11) 0.3991(4) 0.0168(13) Uani 1 1 d . . . H16F H -0.8462 0.3015 0.3682 0.020 Uiso 1 1 calc R . . C162 C -0.9024(4) 0.33169(13) 0.5155(4) 0.0296(17) Uani 1 1 d . . . H16G H -0.9216 0.3299 0.5677 0.036 Uiso 1 1 calc R . . C163 C -0.8917(4) 0.35482(13) 0.4866(5) 0.0358(19) Uani 1 1 d . . . H16H H -0.9048 0.3682 0.5177 0.043 Uiso 1 1 calc R . . C164 C -0.8613(4) 0.35772(13) 0.4102(5) 0.0375(19) Uani 1 1 d . . . H16I H -0.8538 0.3731 0.3887 0.045 Uiso 1 1 calc R . . C165 C -0.8029(4) 0.34079(12) 0.2877(4) 0.0240(15) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.0183(3) 0.0248(3) 0.0155(2) 0.0024(2) 0.0000(2) -0.0014(2) Ag2 0.0173(3) 0.0254(3) 0.0171(3) 0.0041(2) 0.0004(2) -0.0003(2) Ag3 0.0177(3) 0.0268(3) 0.0168(3) -0.0042(2) 0.0009(2) 0.0001(2) Ag4 0.0235(3) 0.0204(3) 0.0164(2) 0.0020(2) 0.0054(2) 0.0008(2) Ag5 0.0293(3) 0.0194(3) 0.0191(3) 0.0010(2) -0.0018(2) -0.0040(2) Ag6 0.0230(3) 0.0238(3) 0.0155(3) -0.0015(2) 0.0044(2) -0.0023(2) Ag7 0.0202(3) 0.0225(3) 0.0167(3) 0.0000(2) -0.0003(2) -0.0019(2) Ag8 0.0280(3) 0.0198(3) 0.0179(3) 0.0005(2) 0.0012(2) 0.0033(2) Ag9 0.0193(3) 0.0248(3) 0.0184(3) -0.0043(2) 0.0011(2) -0.0011(2) Ag10 0.0257(3) 0.0233(3) 0.0217(3) 0.0030(2) 0.0068(2) 0.0084(2) Ag11 0.0199(3) 0.0241(3) 0.0176(3) 0.0054(2) 0.0031(2) 0.0022(2) Ag12 0.0229(3) 0.0265(3) 0.0171(3) 0.0049(2) 0.0049(2) 0.0004(2) Ag13 0.0238(3) 0.0197(3) 0.0181(3) 0.0011(2) 0.0028(2) 0.0003(2) Ag14 0.0254(3) 0.0235(3) 0.0185(3) 0.0034(2) 0.0050(2) 0.0081(2) Ag15 0.0281(3) 0.0356(3) 0.0204(3) -0.0086(2) 0.0059(2) -0.0150(3) Ag16 0.0221(3) 0.0262(3) 0.0191(3) 0.0050(2) 0.0065(2) 0.0068(2) Ag17 0.0227(3) 0.0295(3) 0.0182(3) -0.0023(2) 0.0058(2) 0.0007(2) Ag18 0.0307(3) 0.0234(3) 0.0204(3) -0.0017(2) 0.0060(2) -0.0083(2) Ag19 0.0227(3) 0.0190(3) 0.0189(3) -0.0023(2) 0.0040(2) -0.0054(2) Ag20 0.0281(3) 0.0272(3) 0.0185(3) 0.0040(2) 0.0081(2) 0.0034(2) Ag21 0.0172(3) 0.0274(3) 0.0209(3) 0.0067(2) 0.0015(2) -0.0039(2) Ag22 0.0236(3) 0.0279(3) 0.0168(3) -0.0001(2) 0.0065(2) 0.0003(2) Ag23 0.0191(3) 0.0390(3) 0.0211(3) -0.0087(2) 0.0012(2) 0.0067(2) Ag24 0.0343(4) 0.0564(4) 0.0298(3) 0.0254(3) -0.0123(3) -0.0281(3) C1 0.020(4) 0.029(4) 0.019(3) 0.005(3) 0.002(3) -0.002(3) C2 0.022(4) 0.013(3) 0.019(3) -0.002(3) 0.000(3) -0.003(3) C3 0.033(4) 0.033(4) 0.018(4) 0.002(3) 0.005(3) 0.008(3) C4 0.027(4) 0.035(4) 0.021(4) 0.010(3) 0.007(3) 0.005(3) C5 0.016(3) 0.027(4) 0.020(3) 0.010(3) 0.001(3) -0.007(3) C6 0.015(4) 0.048(5) 0.023(4) 0.002(3) 0.000(3) -0.008(3) O1 0.025(3) 0.039(3) 0.026(3) 0.002(2) 0.005(2) -0.006(2) O2 0.025(3) 0.043(3) 0.024(3) 0.011(2) 0.000(2) -0.011(2) C7 0.025(4) 0.011(3) 0.027(4) 0.004(3) 0.003(3) 0.004(3) C8 0.029(4) 0.026(4) 0.042(5) -0.002(3) 0.009(4) -0.004(3) F11 0.022(2) 0.076(4) 0.054(3) -0.015(3) 0.003(2) -0.014(2) F12 0.066(4) 0.023(2) 0.072(3) -0.004(2) 0.025(3) -0.012(2) F13 0.038(3) 0.052(3) 0.043(3) -0.008(2) 0.023(2) -0.014(2) O3 0.021(3) 0.044(3) 0.023(3) -0.001(2) -0.001(2) 0.005(2) O4 0.024(3) 0.026(3) 0.016(2) 0.0030(19) 0.006(2) 0.005(2) C9 0.023(4) 0.016(3) 0.027(4) 0.007(3) 0.004(3) 0.001(3) C10 0.024(4) 0.047(5) 0.030(4) -0.005(4) 0.000(3) 0.002(4) F21 0.039(3) 0.090(4) 0.034(3) -0.021(3) -0.020(2) 0.033(3) F22 0.025(3) 0.085(4) 0.101(5) 0.015(4) 0.001(3) -0.024(3) F23 0.041(3) 0.062(3) 0.048(3) -0.013(2) -0.006(2) 0.030(2) O5 0.028(3) 0.023(3) 0.016(2) -0.0035(19) -0.002(2) 0.006(2) O6 0.025(3) 0.025(3) 0.024(3) 0.005(2) 0.008(2) 0.002(2) C11 0.009(3) 0.025(4) 0.019(3) 0.004(3) -0.001(3) 0.006(3) C12 0.025(4) 0.025(4) 0.022(4) 0.000(3) 0.006(3) -0.009(3) F31 0.048(3) 0.024(2) 0.020(2) -0.0071(17) 0.0046(19) -0.0061(19) F32 0.054(3) 0.029(2) 0.021(2) 0.0062(17) 0.004(2) 0.003(2) F33 0.024(2) 0.054(3) 0.037(2) -0.011(2) 0.0135(19) -0.002(2) O7 0.027(3) 0.020(2) 0.018(2) 0.0018(19) -0.0012(19) -0.004(2) O8 0.025(3) 0.020(2) 0.023(2) 0.000(2) 0.008(2) 0.003(2) C13 0.011(3) 0.024(4) 0.022(3) -0.004(3) 0.002(3) -0.005(3) C14 0.027(4) 0.020(4) 0.026(4) 0.000(3) 0.006(3) -0.001(3) F41 0.056(3) 0.025(2) 0.026(2) 0.0026(18) 0.004(2) 0.010(2) F42 0.065(3) 0.029(2) 0.023(2) -0.0082(18) 0.007(2) -0.004(2) F43 0.032(3) 0.052(3) 0.036(2) 0.011(2) 0.016(2) 0.001(2) O9 0.045(3) 0.024(3) 0.025(3) 0.005(2) 0.001(2) 0.015(2) O10 0.044(3) 0.029(3) 0.017(2) 0.005(2) -0.001(2) 0.000(2) C15 0.018(4) 0.023(4) 0.030(4) -0.001(3) -0.006(3) -0.003(3) C16 0.048(5) 0.031(4) 0.041(5) 0.015(4) 0.015(4) 0.017(4) F51 0.034(3) 0.094(5) 0.120(5) 0.052(4) 0.001(3) 0.020(3) F52 0.072(3) 0.044(3) 0.033(3) 0.015(2) 0.013(2) 0.019(3) F53 0.124(5) 0.031(3) 0.050(3) 0.007(2) 0.036(3) 0.020(3) O11 0.049(3) 0.029(3) 0.022(3) 0.000(2) 0.010(2) 0.002(2) O12 0.042(3) 0.029(3) 0.018(2) 0.004(2) 0.006(2) 0.000(2) C17 0.026(4) 0.022(4) 0.026(4) -0.005(3) 0.002(3) -0.005(3) C18 0.054(5) 0.027(4) 0.026(4) -0.009(3) 0.002(4) 0.006(4) F61 0.120(6) 0.033(3) 0.115(5) -0.018(3) 0.037(4) -0.033(3) F62 0.130(5) 0.053(3) 0.035(3) -0.017(2) 0.007(3) 0.035(3) F63 0.085(4) 0.052(3) 0.069(4) -0.017(3) -0.012(3) 0.045(3) O13 0.039(3) 0.031(3) 0.023(3) 0.002(2) 0.011(2) 0.008(2) O14 0.053(4) 0.024(3) 0.024(3) -0.001(2) 0.007(2) 0.004(2) C19 0.021(4) 0.032(4) 0.023(4) -0.001(3) 0.007(3) 0.001(3) C20 0.055(6) 0.026(4) 0.040(5) -0.018(4) 0.021(4) -0.011(4) F71 0.312(12) 0.026(3) 0.168(8) 0.004(4) 0.182(9) 0.005(5) F72 0.068(4) 0.061(4) 0.139(6) -0.045(4) -0.033(4) 0.041(3) F73 0.110(5) 0.084(4) 0.062(4) -0.053(3) -0.037(3) 0.045(4) O15 0.029(3) 0.049(3) 0.023(3) 0.001(2) 0.005(2) -0.007(2) O16 0.018(3) 0.047(3) 0.030(3) 0.008(2) 0.000(2) -0.010(2) C21 0.021(4) 0.019(4) 0.028(4) 0.003(3) 0.006(3) 0.006(3) C22 0.033(5) 0.031(4) 0.049(5) 0.006(4) 0.010(4) -0.003(4) F81 0.055(4) 0.036(3) 0.108(5) 0.016(3) 0.020(3) -0.010(3) F82 0.038(3) 0.083(4) 0.042(3) 0.002(3) 0.025(2) -0.015(3) F83 0.023(2) 0.052(3) 0.054(3) -0.005(2) 0.003(2) -0.010(2) O17 0.032(3) 0.051(3) 0.020(3) 0.004(2) 0.002(2) -0.014(3) O18 0.021(3) 0.033(3) 0.022(3) 0.002(2) 0.000(2) -0.005(2) C23 0.019(4) 0.028(4) 0.032(4) -0.003(3) 0.003(3) -0.005(3) C24 0.026(4) 0.057(6) 0.038(5) 0.010(4) -0.001(4) -0.009(4) F91 0.035(3) 0.077(4) 0.112(5) 0.006(4) 0.023(3) 0.016(3) F92 0.035(3) 0.089(4) 0.049(3) 0.026(3) -0.018(2) -0.024(3) F93 0.035(3) 0.061(3) 0.052(3) 0.016(3) -0.007(2) -0.022(2) O19 0.015(2) 0.030(3) 0.016(2) -0.0005(19) -0.0017(19) 0.004(2) O20 0.021(3) 0.037(3) 0.016(2) 0.003(2) 0.003(2) -0.004(2) C25 0.024(4) 0.016(3) 0.018(3) 0.004(3) -0.001(3) 0.005(3) C26 0.015(4) 0.048(5) 0.021(4) -0.005(3) 0.002(3) -0.004(3) F101 0.069(4) 0.037(3) 0.037(3) -0.013(2) 0.001(2) 0.008(2) F102 0.019(2) 0.062(3) 0.018(2) 0.0003(19) -0.0047(17) 0.0047(19) F103 0.021(2) 0.094(4) 0.021(2) -0.004(2) 0.0058(18) -0.009(2) O21 0.037(3) 0.027(3) 0.025(3) 0.001(2) 0.001(2) 0.007(2) O22 0.032(3) 0.030(3) 0.017(2) 0.001(2) -0.004(2) -0.001(2) C27 0.025(4) 0.020(4) 0.027(4) 0.006(3) -0.001(3) -0.001(3) C28 0.034(5) 0.033(4) 0.028(4) 0.011(3) 0.006(3) 0.002(3) F111 0.032(3) 0.068(4) 0.085(4) 0.034(3) 0.002(3) 0.014(3) F112 0.060(3) 0.034(2) 0.031(2) 0.016(2) 0.005(2) 0.011(2) F113 0.097(4) 0.022(2) 0.052(3) 0.001(2) 0.032(3) 0.006(3) O23 0.037(3) 0.026(3) 0.025(3) -0.007(2) 0.005(2) -0.005(2) O24 0.050(3) 0.021(3) 0.021(3) 0.000(2) 0.009(2) -0.005(2) C29 0.026(4) 0.017(4) 0.033(4) 0.003(3) -0.003(3) 0.002(3) C30 0.047(5) 0.026(4) 0.029(4) 0.007(3) 0.009(4) 0.004(4) F121 0.238(10) 0.016(3) 0.132(6) 0.001(3) 0.127(6) 0.010(4) F122 0.095(5) 0.078(4) 0.050(3) 0.044(3) -0.023(3) -0.039(3) F123 0.063(4) 0.046(3) 0.121(5) 0.026(3) -0.025(4) -0.033(3) O25 0.023(3) 0.032(3) 0.022(2) -0.001(2) 0.003(2) -0.004(2) O26 0.020(3) 0.021(2) 0.016(2) -0.0015(19) 0.0016(19) 0.0001(19) C31 0.019(4) 0.016(3) 0.025(4) -0.010(3) 0.004(3) -0.003(3) C32 0.022(4) 0.027(4) 0.018(3) 0.004(3) 0.004(3) 0.001(3) F131 0.048(3) 0.036(3) 0.030(2) 0.0141(19) 0.007(2) 0.005(2) F132 0.023(2) 0.070(3) 0.025(2) -0.003(2) -0.0012(18) -0.011(2) F133 0.028(2) 0.050(3) 0.021(2) -0.0002(19) 0.0131(18) 0.003(2) O27 0.026(3) 0.039(3) 0.025(3) 0.000(2) 0.005(2) 0.007(2) O28 0.030(3) 0.034(3) 0.024(3) -0.003(2) 0.004(2) 0.009(2) C33 0.029(4) 0.019(3) 0.015(3) 0.001(3) 0.000(3) -0.002(3) C34 0.033(4) 0.027(4) 0.030(4) -0.002(3) 0.011(3) 0.006(3) F141 0.061(3) 0.035(3) 0.082(4) -0.004(3) 0.021(3) 0.013(2) F142 0.039(3) 0.077(4) 0.037(3) 0.003(2) 0.025(2) 0.013(3) F143 0.018(2) 0.074(4) 0.050(3) 0.008(2) 0.006(2) 0.013(2) O29 0.027(3) 0.025(3) 0.022(2) 0.001(2) 0.003(2) 0.003(2) O30 0.035(3) 0.027(3) 0.024(3) 0.005(2) 0.003(2) 0.004(2) C35 0.023(4) 0.023(4) 0.019(3) 0.000(3) -0.002(3) -0.002(3) C36 0.021(4) 0.022(4) 0.022(4) 0.006(3) 0.004(3) -0.002(3) F151 0.029(2) 0.057(3) 0.042(3) 0.014(2) 0.016(2) 0.004(2) F152 0.070(3) 0.025(2) 0.023(2) -0.0063(18) 0.015(2) -0.005(2) F153 0.048(3) 0.034(2) 0.021(2) 0.0072(18) 0.0045(19) 0.012(2) O31 0.042(3) 0.022(3) 0.024(3) -0.003(2) 0.004(2) -0.005(2) O32 0.041(3) 0.026(3) 0.024(3) -0.001(2) 0.003(2) 0.001(2) C37 0.020(4) 0.026(4) 0.033(4) 0.001(3) -0.005(3) -0.003(3) C38 0.034(5) 0.033(4) 0.041(5) -0.010(4) 0.006(4) -0.009(4) F161 0.046(4) 0.102(6) 0.287(11) -0.115(7) -0.059(5) 0.004(4) F162 0.176(7) 0.039(3) 0.066(4) -0.020(3) 0.070(4) -0.048(4) F163 0.097(4) 0.038(3) 0.042(3) -0.018(2) 0.019(3) -0.018(3) O33 0.025(3) 0.031(3) 0.017(2) 0.001(2) 0.000(2) 0.005(2) O34 0.025(3) 0.029(3) 0.014(2) -0.0014(19) -0.005(2) 0.002(2) C39 0.023(4) 0.010(3) 0.021(3) 0.004(3) -0.002(3) 0.006(3) C40 0.019(4) 0.045(5) 0.013(3) -0.002(3) 0.003(3) -0.002(3) F171 0.025(2) 0.068(3) 0.025(2) -0.004(2) -0.0043(18) 0.002(2) F172 0.065(3) 0.036(3) 0.039(3) -0.018(2) 0.009(2) 0.007(2) F173 0.028(2) 0.068(3) 0.024(2) -0.003(2) 0.0063(18) -0.009(2) O35 0.022(3) 0.028(3) 0.022(3) -0.004(2) -0.003(2) -0.003(2) O36 0.022(3) 0.036(3) 0.022(3) 0.005(2) 0.001(2) 0.001(2) C41 0.016(4) 0.018(3) 0.030(4) -0.007(3) -0.001(3) 0.003(3) C42 0.026(4) 0.027(4) 0.027(4) 0.004(3) -0.003(3) -0.003(3) F181 0.034(3) 0.042(3) 0.051(3) 0.007(2) -0.006(2) -0.017(2) F182 0.023(3) 0.066(3) 0.081(4) -0.003(3) 0.004(2) 0.010(2) F183 0.040(3) 0.070(3) 0.034(3) 0.013(2) -0.017(2) -0.026(2) O100 0.074(5) 0.139(7) 0.127(7) 0.103(6) 0.085(5) 0.080(5) N1 0.017(3) 0.030(3) 0.028(3) 0.000(3) 0.009(2) 0.008(3) N2 0.112(8) 0.102(7) 0.118(8) 0.090(6) 0.089(7) 0.092(7) C100 0.013(3) 0.028(4) 0.023(4) -0.007(3) -0.002(3) 0.001(3) C101 0.022(4) 0.022(4) 0.027(4) 0.000(3) 0.002(3) 0.008(3) C102 0.021(4) 0.028(4) 0.022(4) 0.003(3) -0.006(3) 0.003(3) C103 0.018(4) 0.029(4) 0.039(4) 0.006(3) 0.005(3) 0.010(3) C104 0.016(4) 0.032(4) 0.028(4) -0.001(3) 0.005(3) 0.009(3) C105 0.022(4) 0.021(4) 0.027(4) 0.000(3) 0.014(3) -0.002(3) O101 0.026(3) 0.037(3) 0.044(3) 0.013(3) 0.014(2) 0.014(2) C108 0.024(4) 0.026(4) 0.050(5) 0.013(3) 0.006(3) 0.015(3) N4 0.021(3) 0.033(4) 0.040(4) 0.017(3) 0.008(3) 0.008(3) C106 0.012(3) 0.025(4) 0.021(3) -0.005(3) 0.007(3) -0.006(3) C107 0.013(4) 0.039(4) 0.033(4) 0.005(3) 0.006(3) 0.009(3) C109 0.027(4) 0.021(4) 0.030(4) 0.006(3) 0.001(3) 0.008(3) N3 0.026(3) 0.024(3) 0.026(3) 0.004(2) 0.006(3) 0.001(3) C110 0.019(4) 0.028(4) 0.021(4) 0.001(3) 0.000(3) 0.011(3) C111 0.012(3) 0.022(4) 0.030(4) 0.001(3) 0.004(3) -0.001(3) O102 0.038(3) 0.021(3) 0.041(3) -0.006(2) 0.015(2) -0.007(2) N5 0.021(3) 0.013(3) 0.029(3) 0.001(2) 0.008(2) -0.005(2) N6 0.034(4) 0.021(3) 0.023(3) -0.006(2) 0.008(3) -0.006(3) C112 0.023(4) 0.024(4) 0.025(4) -0.007(3) -0.002(3) -0.012(3) C113 0.019(4) 0.018(3) 0.022(3) 0.001(3) 0.003(3) -0.006(3) C114 0.051(5) 0.037(5) 0.036(5) -0.003(4) 0.015(4) -0.014(4) C115 0.070(6) 0.023(4) 0.054(6) -0.003(4) 0.033(5) -0.014(4) C116 0.062(6) 0.024(4) 0.045(5) -0.004(4) 0.023(4) -0.017(4) C117 0.018(4) 0.024(4) 0.025(4) -0.005(3) 0.000(3) -0.001(3) O103 0.031(3) 0.019(3) 0.041(3) -0.009(2) -0.009(2) 0.009(2) N7 0.021(3) 0.025(3) 0.020(3) -0.003(2) 0.003(2) 0.000(2) N8 0.038(4) 0.023(3) 0.043(4) -0.004(3) -0.019(3) 0.002(3) C118 0.025(4) 0.018(3) 0.016(3) 0.004(3) 0.003(3) -0.005(3) C119 0.025(4) 0.031(4) 0.021(4) 0.000(3) 0.007(3) 0.007(3) C120 0.024(4) 0.030(4) 0.029(4) -0.001(3) -0.007(3) 0.004(3) C121 0.044(5) 0.024(4) 0.058(6) -0.010(4) -0.019(4) 0.012(4) C122 0.037(5) 0.027(4) 0.037(4) -0.007(3) -0.009(4) 0.001(3) C123 0.026(4) 0.024(4) 0.021(3) 0.006(3) 0.007(3) 0.003(3) O104 0.032(3) 0.025(3) 0.038(3) -0.007(2) -0.012(2) 0.008(2) N9 0.025(3) 0.031(3) 0.016(3) 0.002(2) 0.001(2) 0.002(3) N10 0.040(4) 0.021(3) 0.031(3) -0.001(3) -0.008(3) -0.003(3) C124 0.028(4) 0.022(4) 0.014(3) 0.008(3) 0.001(3) -0.002(3) C125 0.025(4) 0.031(4) 0.012(3) 0.000(3) 0.008(3) 0.005(3) C126 0.033(4) 0.027(4) 0.035(4) -0.004(3) -0.008(3) -0.001(3) C127 0.040(5) 0.026(4) 0.055(5) -0.013(4) -0.023(4) 0.014(4) C128 0.033(4) 0.023(4) 0.043(5) -0.006(3) -0.013(4) 0.006(3) C129 0.015(3) 0.033(4) 0.019(3) 0.000(3) 0.007(3) 0.003(3) O105 0.030(3) 0.019(3) 0.038(3) 0.011(2) -0.014(2) -0.003(2) N11 0.022(3) 0.048(4) 0.025(3) 0.011(3) -0.004(3) -0.011(3) N12 0.038(4) 0.023(3) 0.030(3) 0.003(3) -0.012(3) -0.003(3) C130 0.022(4) 0.018(3) 0.017(3) -0.007(3) 0.003(3) 0.001(3) C131 0.025(4) 0.028(4) 0.026(4) 0.007(3) 0.000(3) -0.010(3) C132 0.022(4) 0.038(4) 0.023(4) 0.011(3) -0.004(3) -0.008(3) C133 0.027(4) 0.031(4) 0.041(4) 0.002(3) -0.006(3) -0.016(3) C134 0.023(4) 0.022(4) 0.027(4) 0.009(3) -0.001(3) -0.001(3) C135 0.022(4) 0.023(4) 0.017(3) -0.001(3) 0.001(3) -0.002(3) O106 0.019(3) 0.039(3) 0.036(3) 0.012(2) -0.005(2) -0.006(2) N13 0.023(3) 0.016(3) 0.026(3) 0.003(2) 0.006(2) -0.004(2) N14 0.022(3) 0.029(3) 0.026(3) 0.004(3) 0.004(2) 0.000(3) C136 0.028(4) 0.021(3) 0.023(4) -0.011(3) 0.003(3) -0.008(3) C137 0.020(4) 0.014(3) 0.023(4) -0.006(3) 0.001(3) -0.001(3) C138 0.033(4) 0.031(4) 0.033(4) 0.011(3) 0.003(3) -0.004(3) C139 0.025(4) 0.056(5) 0.040(5) 0.021(4) 0.006(4) -0.003(4) C140 0.017(4) 0.041(5) 0.036(4) 0.012(3) 0.000(3) -0.004(3) C141 0.036(5) 0.013(3) 0.022(4) 0.003(3) -0.001(3) 0.004(3) O107 0.018(3) 0.035(3) 0.030(3) 0.009(2) -0.006(2) -0.008(2) N15 0.021(3) 0.022(3) 0.025(3) 0.002(2) 0.002(2) -0.001(2) N16 0.018(3) 0.035(3) 0.028(3) 0.010(3) 0.000(2) -0.004(3) C142 0.027(4) 0.018(3) 0.018(3) -0.001(3) -0.003(3) -0.001(3) C143 0.029(4) 0.017(4) 0.020(4) -0.005(3) 0.004(3) 0.000(3) C144 0.024(4) 0.040(5) 0.035(4) 0.013(3) -0.001(3) -0.005(3) C145 0.025(4) 0.061(6) 0.040(5) 0.019(4) 0.001(4) -0.010(4) C146 0.018(4) 0.046(5) 0.030(4) 0.007(3) -0.004(3) -0.001(3) C147 0.021(4) 0.018(3) 0.021(3) 0.000(3) -0.004(3) -0.004(3) O108 0.017(3) 0.039(3) 0.030(3) -0.016(2) -0.004(2) 0.008(2) N17 0.024(3) 0.015(3) 0.021(3) -0.001(2) 0.000(2) 0.001(2) N18 0.019(3) 0.037(4) 0.025(3) -0.006(3) 0.000(2) 0.008(3) C148 0.023(4) 0.023(4) 0.023(4) 0.005(3) 0.004(3) 0.006(3) C149 0.021(4) 0.018(3) 0.021(3) 0.007(3) 0.001(3) 0.005(3) C150 0.025(4) 0.043(5) 0.031(4) -0.012(3) -0.001(3) 0.005(3) C151 0.026(4) 0.070(6) 0.039(5) -0.018(4) 0.006(4) 0.009(4) C152 0.018(4) 0.045(5) 0.029(4) -0.009(3) -0.005(3) 0.005(3) C153 0.029(4) 0.022(4) 0.011(3) 0.002(3) 0.001(3) 0.003(3) O109 0.022(3) 0.036(3) 0.039(3) -0.012(2) 0.015(2) -0.012(2) N19 0.018(3) 0.023(3) 0.022(3) -0.003(2) 0.003(2) -0.005(2) N20 0.022(3) 0.038(4) 0.028(3) -0.009(3) 0.008(3) 0.001(3) C154 0.008(3) 0.034(4) 0.021(4) 0.002(3) 0.002(3) 0.003(3) C155 0.018(4) 0.025(4) 0.023(3) 0.003(3) 0.001(3) -0.007(3) C156 0.026(4) 0.035(4) 0.029(4) -0.006(3) 0.004(3) -0.005(3) C157 0.027(4) 0.038(4) 0.034(4) -0.014(3) 0.007(3) -0.012(3) C158 0.018(4) 0.040(4) 0.031(4) -0.009(3) 0.011(3) -0.008(3) C159 0.015(4) 0.023(4) 0.022(4) 0.005(3) 0.002(3) 0.001(3) O111 0.047(3) 0.023(3) 0.050(3) 0.014(3) 0.029(3) 0.005(2) N23 0.016(3) 0.021(3) 0.023(3) 0.001(2) 0.005(2) 0.001(2) N24 0.034(4) 0.016(3) 0.027(3) 0.004(2) 0.016(3) 0.001(3) C166 0.022(4) 0.025(4) 0.030(4) 0.005(3) 0.006(3) 0.002(3) C167 0.014(3) 0.022(3) 0.019(3) -0.005(3) 0.005(3) 0.005(3) C168 0.046(5) 0.040(5) 0.042(5) 0.001(4) 0.032(4) -0.002(4) C169 0.085(7) 0.014(4) 0.072(6) 0.003(4) 0.054(6) 0.008(4) C170 0.067(6) 0.021(4) 0.064(6) 0.001(4) 0.038(5) 0.004(4) C171 0.020(4) 0.036(4) 0.023(4) 0.007(3) 0.009(3) -0.002(3) O110 0.050(3) 0.018(3) 0.045(3) 0.012(2) 0.025(3) 0.008(2) N21 0.023(3) 0.021(3) 0.018(3) 0.005(2) 0.003(2) 0.003(2) N22 0.029(3) 0.019(3) 0.020(3) 0.002(2) 0.014(2) 0.003(2) C160 0.022(4) 0.024(4) 0.020(3) 0.005(3) 0.005(3) 0.005(3) C161 0.012(3) 0.015(3) 0.023(3) -0.001(3) -0.001(3) 0.003(3) C162 0.034(4) 0.030(4) 0.027(4) 0.003(3) 0.016(3) 0.010(3) C163 0.054(5) 0.019(4) 0.038(4) 0.002(3) 0.021(4) 0.006(4) C164 0.052(5) 0.023(4) 0.038(4) 0.008(3) 0.013(4) 0.013(4) C165 0.022(4) 0.030(4) 0.021(4) 0.007(3) 0.003(3) 0.001(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 C5 2.194(6) . ? Ag1 O21 2.275(5) . ? Ag1 O29 2.337(4) . ? Ag1 O106 2.438(5) . ? Ag1 Ag24 2.8240(8) . ? Ag1 Ag16 2.9618(7) . ? Ag1 Ag15 3.1475(7) . ? Ag1 Ag20 3.2319(7) . ? Ag2 O9 2.238(5) . ? Ag2 C1 2.361(6) . ? Ag2 O8 2.368(4) . ? Ag2 O107 2.441(4) . ? Ag2 C2 2.499(6) . ? Ag2 Ag21 2.8988(7) . ? Ag2 Ag10 3.1096(7) . ? Ag2 Ag19 3.1965(7) . ? Ag2 Ag22 3.3177(7) . ? Ag3 O31 2.252(5) . ? Ag3 O6 2.334(4) . ? Ag3 C3 2.384(7) . ? Ag3 O108 2.458(4) . ? Ag3 C4 2.503(7) . ? Ag3 Ag23 2.8875(7) . ? Ag3 Ag18 3.0102(7) . ? Ag3 Ag14 3.1507(7) . ? Ag3 Ag17 3.3052(7) . ? Ag4 C2 2.173(6) . ? Ag4 O2 2.278(5) . ? Ag4 O34 2.312(4) . ? Ag4 O110 2.475(5) . ? Ag4 Ag10 2.8137(7) . ? Ag4 Ag19 2.8769(7) . ? Ag4 Ag8 3.0437(7) . ? Ag4 Ag9 3.3075(7) . ? Ag5 N17 2.305(5) 4 ? Ag5 O24 2.380(5) . ? Ag5 O102 2.394(5) 1_556 ? Ag5 C3 2.490(7) . ? Ag5 Ag17 2.8567(7) . ? Ag5 Ag6 3.0425(7) . ? Ag5 Ag11 3.0764(7) . ? Ag6 C4 2.190(7) . ? Ag6 O28 2.270(5) . ? Ag6 O26 2.340(4) . ? Ag6 O102 2.489(5) 1_556 ? Ag6 Ag18 2.8865(7) . ? Ag6 Ag14 2.8976(7) . ? Ag6 Ag11 3.2467(7) . ? Ag7 O18 2.251(5) . ? Ag7 O20 2.325(4) . ? Ag7 C6 2.390(7) . ? Ag7 C5 2.429(6) . ? Ag7 O104 2.511(5) . ? Ag7 Ag13 3.0584(7) . ? Ag7 Ag24 3.0777(7) . ? Ag7 Ag16 3.2445(7) . ? Ag7 Ag12 3.3236(7) . ? Ag8 N13 2.309(6) 4_554 ? Ag8 O110 2.358(5) . ? Ag8 O14 2.366(5) . ? Ag8 C1 2.479(6) . ? Ag8 Ag22 2.8307(7) . ? Ag8 Ag9 3.1538(7) . ? Ag8 Ag19 3.3100(7) . ? Ag9 O35 2.249(5) . ? Ag9 C2 2.382(6) . ? Ag9 O33 2.394(4) . ? Ag9 C1 2.430(7) . ? Ag9 O103 2.470(4) . ? Ag9 Ag21 3.0376(7) . ? Ag9 Ag10 3.3079(7) . ? Ag10 C2 2.196(6) . ? Ag10 N1 2.283(5) . ? Ag10 O10 2.342(5) . ? Ag11 O4 2.261(4) . ? Ag11 O25 2.366(4) . ? Ag11 C4 2.382(7) . ? Ag11 C3 2.425(7) . ? Ag11 O105 2.444(5) . ? Ag11 Ag23 3.0395(7) . ? Ag11 Ag18 3.3334(7) . ? Ag12 C6 2.151(7) . ? Ag12 O16 2.257(5) . ? Ag12 O19 2.330(4) . ? Ag12 O111 2.512(5) . ? Ag12 Ag15 2.8325(7) . ? Ag12 Ag13 2.9414(7) . ? Ag12 Ag16 3.0262(7) . ? Ag13 C6 2.298(7) . ? Ag13 N15 2.303(5) 4_556 ? Ag13 O11 2.321(5) . ? Ag13 O111 2.435(5) . ? Ag13 Ag20 2.9066(7) . ? Ag14 N21 2.259(5) . ? Ag14 O27 2.377(5) . ? Ag14 C4 2.383(7) . ? Ag14 O108 2.484(5) . ? Ag14 Ag17 3.1021(7) . ? Ag15 N23 2.277(5) 2_554 ? Ag15 C6 2.323(7) . ? Ag15 O15 2.380(5) . ? Ag15 O106 2.445(5) . ? Ag15 Ag20 3.2209(8) . ? Ag16 N19 2.261(5) 4_456 ? Ag16 O22 2.389(5) . ? Ag16 C5 2.501(7) . ? Ag16 O104 2.567(5) . ? Ag16 C6 2.584(7) . ? Ag17 C3 2.152(7) . ? Ag17 O23 2.242(5) . ? Ag17 O5 2.349(4) . ? Ag17 O101 2.504(5) . ? Ag17 Ag23 3.0638(8) . ? Ag18 C4 2.180(7) . ? Ag18 N3 2.264(6) 4_455 ? Ag18 O32 2.367(5) . ? Ag19 N5 2.250(5) . ? Ag19 O1 2.399(5) . ? Ag19 C2 2.399(6) . ? Ag19 O107 2.488(5) . ? Ag19 Ag22 3.0843(7) . ? Ag20 O12 2.263(5) . ? Ag20 C5 2.342(7) . ? Ag20 O100 2.372(6) 4 ? Ag20 O30 2.400(5) . ? Ag20 C6 2.588(7) . ? Ag20 Ag24 3.2471(8) . ? Ag21 C1 2.239(6) . ? Ag21 N7 2.269(5) 2_564 ? Ag21 O36 2.374(5) . ? Ag21 O109 2.549(5) . ? Ag21 Ag22 3.0153(7) . ? Ag22 C1 2.155(7) . ? Ag22 O13 2.241(5) . ? Ag22 O7 2.341(4) . ? Ag22 O109 2.513(5) . ? Ag23 C3 2.251(7) . ? Ag23 N9 2.262(6) 1_554 ? Ag23 O3 2.363(5) . ? Ag23 O101 2.535(5) . ? Ag24 C5 2.170(6) . ? Ag24 N11 2.237(6) . ? Ag24 O17 2.340(5) . ? C1 C2 1.235(9) . ? C3 C4 1.183(9) . ? C5 C6 1.198(9) . ? O1 C7 1.234(8) . ? O2 C7 1.247(8) . ? C7 C8 1.556(10) . ? C8 F11 1.312(9) . ? C8 F12 1.326(8) . ? C8 F13 1.342(8) . ? O3 C9 1.244(8) . ? O4 C9 1.223(8) . ? C9 C10 1.562(10) . ? C10 F22 1.322(9) . ? C10 F21 1.326(8) . ? C10 F23 1.342(9) . ? O5 C11 1.255(7) . ? O6 C11 1.239(7) . ? C11 C12 1.539(9) . ? C12 F31 1.325(7) . ? C12 F33 1.326(8) . ? C12 F32 1.335(8) . ? O7 C13 1.257(8) . ? O8 C13 1.236(7) . ? C13 C14 1.536(9) . ? C14 F42 1.318(8) . ? C14 F41 1.332(8) . ? C14 F43 1.333(8) . ? O9 C15 1.228(8) . ? O10 C15 1.260(8) . ? C15 C16 1.530(10) . ? C16 F52 1.313(8) . ? C16 F53 1.320(10) . ? C16 F51 1.347(10) . ? O11 C17 1.232(8) . ? O12 C17 1.252(8) . ? C17 C18 1.533(9) . ? C18 F63 1.314(9) . ? C18 F61 1.317(10) . ? C18 F62 1.320(9) . ? O13 C19 1.244(8) . ? O14 C19 1.227(8) . ? C19 C20 1.551(10) . ? C20 F71 1.266(10) . ? C20 F73 1.303(9) . ? C20 F72 1.305(10) . ? O15 C21 1.234(8) . ? O16 C21 1.235(8) . ? C21 C22 1.559(10) . ? C22 F83 1.322(9) . ? C22 F81 1.324(9) . ? C22 F82 1.330(9) . ? O17 C23 1.230(8) . ? O18 C23 1.235(8) . ? C23 C24 1.540(10) . ? C24 F92 1.319(9) . ? C24 F93 1.340(9) . ? C24 F91 1.346(10) . ? O19 C25 1.257(8) . ? O20 C25 1.237(8) . ? C25 C26 1.551(9) . ? C26 F103 1.319(8) . ? C26 F101 1.323(9) . ? C26 F102 1.333(8) . ? O21 C27 1.229(8) . ? O22 C27 1.258(8) . ? C27 C28 1.528(10) . ? C28 F113 1.317(9) . ? C28 F112 1.327(8) . ? C28 F111 1.363(9) . ? O23 C29 1.254(8) . ? O24 C29 1.220(8) . ? C29 C30 1.543(10) . ? C30 F123 1.298(9) . ? C30 F121 1.298(9) . ? C30 F122 1.318(9) . ? O25 C31 1.244(7) . ? O26 C31 1.233(8) . ? C31 C32 1.545(9) . ? C32 F131 1.320(8) . ? C32 F132 1.322(8) . ? C32 F133 1.340(7) . ? O27 C33 1.237(8) . ? O28 C33 1.242(8) . ? C33 C34 1.538(10) . ? C34 F142 1.321(8) . ? C34 F141 1.323(8) . ? C34 F143 1.336(9) . ? O29 C35 1.236(8) . ? O30 C35 1.248(8) . ? C35 C36 1.534(9) . ? C36 F153 1.322(7) . ? C36 F151 1.328(8) . ? C36 F152 1.335(7) . ? O31 C37 1.227(8) . ? O32 C37 1.247(8) . ? C37 C38 1.516(10) . ? C38 F161 1.288(10) . ? C38 F163 1.311(9) . ? C38 F162 1.313(9) . ? O33 C39 1.241(8) . ? O34 C39 1.231(8) . ? C39 C40 1.546(9) . ? C40 F172 1.310(8) . ? C40 F173 1.334(8) . ? C40 F171 1.336(8) . ? O35 C41 1.232(8) . ? O36 C41 1.242(8) . ? C41 C42 1.545(9) . ? C42 F183 1.327(8) . ? C42 F181 1.337(8) . ? C42 F182 1.340(9) . ? O100 C105 1.176(8) . ? O100 Ag20 2.372(6) 4_454 ? N1 C101 1.322(8) . ? N1 C102 1.339(8) . ? N2 C105 1.259(10) . ? C100 C101 1.384(9) . ? C100 C104 1.395(9) . ? C100 C105 1.491(9) . ? C102 C103 1.390(9) . ? C103 C104 1.377(9) . ? O101 C111 1.233(8) . ? C108 C107 1.366(10) . ? C108 C109 1.387(9) . ? N4 C111 1.320(8) . ? C106 C107 1.375(9) . ? C106 C110 1.386(9) . ? C106 C111 1.489(9) . ? C109 N3 1.336(8) . ? N3 C110 1.332(8) . ? N3 Ag18 2.264(6) 4_554 ? O102 C117 1.237(8) . ? O102 Ag5 2.394(5) 1_554 ? O102 Ag6 2.489(5) 1_554 ? N5 C114 1.339(9) . ? N5 C113 1.352(8) . ? N6 C117 1.341(8) . ? C112 C113 1.374(9) . ? C112 C116 1.380(10) . ? C112 C117 1.491(9) . ? C114 C115 1.382(11) . ? C115 C116 1.390(11) . ? O103 C123 1.235(8) . ? N7 C120 1.332(8) . ? N7 C119 1.334(8) . ? N7 Ag21 2.269(5) 2_565 ? N8 C123 1.322(9) . ? C118 C119 1.378(9) . ? C118 C122 1.385(10) . ? C118 C123 1.484(9) . ? C120 C121 1.361(10) . ? C121 C122 1.383(10) . ? O104 C129 1.238(8) . ? N9 C126 1.332(9) . ? N9 C125 1.345(8) . ? N9 Ag23 2.262(6) 1_556 ? N10 C129 1.330(8) . ? C124 C128 1.372(9) . ? C124 C125 1.373(9) . ? C124 C129 1.506(9) . ? C126 C127 1.370(10) . ? C127 C128 1.380(10) . ? O105 C135 1.223(8) . ? N11 C132 1.322(9) . ? N11 C131 1.346(8) . ? N12 C135 1.323(8) . ? C130 C131 1.373(9) . ? C130 C134 1.387(9) . ? C130 C135 1.498(9) . ? C132 C133 1.384(9) . ? C133 C134 1.371(9) . ? O106 C141 1.224(8) . ? N13 C138 1.339(9) . ? N13 C137 1.365(8) . ? N13 Ag8 2.309(6) 4_455 ? N14 C141 1.343(9) . ? C136 C140 1.380(9) . ? C136 C137 1.397(9) . ? C136 C141 1.507(9) . ? C138 C139 1.389(10) . ? C139 C140 1.387(10) . ? O107 C147 1.228(7) . ? N15 C144 1.327(9) . ? N15 C143 1.353(8) . ? N15 Ag13 2.303(5) 4_453 ? N16 C147 1.341(8) . ? C142 C143 1.386(9) . ? C142 C146 1.399(10) . ? C142 C147 1.500(9) . ? C144 C145 1.381(10) . ? C145 C146 1.373(10) . ? O108 C153 1.229(8) . ? N17 C150 1.324(9) . ? N17 C149 1.332(8) . ? N17 Ag5 2.305(5) 4_454 ? N18 C153 1.346(8) . ? C148 C152 1.379(9) . ? C148 C149 1.383(9) . ? C148 C153 1.514(9) . ? C150 C151 1.377(10) . ? C151 C152 1.384(10) . ? O109 C159 1.244(7) . ? N19 C156 1.330(8) . ? N19 C155 1.354(8) . ? N19 Ag16 2.261(5) 4_553 ? N20 C159 1.310(8) . ? C154 C158 1.388(9) . ? C154 C155 1.389(9) . ? C154 C159 1.481(9) . ? C156 C157 1.402(9) . ? C157 C158 1.378(9) . ? O111 C171 1.216(8) . ? N23 C168 1.320(9) . ? N23 C167 1.348(8) . ? N23 Ag15 2.277(5) 2 ? N24 C171 1.342(9) . ? C166 C167 1.378(9) . ? C166 C170 1.387(10) . ? C166 C171 1.488(9) . ? C168 C169 1.386(10) . ? C169 C170 1.357(11) . ? O110 C165 1.241(8) . ? N21 C162 1.332(8) . ? N21 C161 1.343(8) . ? N22 C165 1.330(8) . ? C160 C161 1.378(9) . ? C160 C164 1.381(10) . ? C160 C165 1.501(9) . ? C162 C163 1.380(10) . ? C163 C164 1.382(10) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C5 Ag1 O21 134.6(2) . . ? C5 Ag1 O29 120.3(2) . . ? O21 Ag1 O29 93.81(16) . . ? C5 Ag1 O106 111.7(2) . . ? O21 Ag1 O106 88.83(17) . . ? O29 Ag1 O106 99.17(17) . . ? C5 Ag1 Ag24 49.31(16) . . ? O21 Ag1 Ag24 108.07(13) . . ? O29 Ag1 Ag24 89.58(11) . . ? O106 Ag1 Ag24 160.49(11) . . ? C5 Ag1 Ag16 55.67(18) . . ? O21 Ag1 Ag16 85.86(12) . . ? O29 Ag1 Ag16 170.95(12) . . ? O106 Ag1 Ag16 89.88(12) . . ? Ag24 Ag1 Ag16 81.94(2) . . ? C5 Ag1 Ag15 62.41(17) . . ? O21 Ag1 Ag15 129.49(13) . . ? O29 Ag1 Ag15 117.48(11) . . ? O106 Ag1 Ag15 49.96(11) . . ? Ag24 Ag1 Ag15 110.55(2) . . ? Ag16 Ag1 Ag15 68.936(18) . . ? C5 Ag1 Ag20 46.44(18) . . ? O21 Ag1 Ag20 169.88(13) . . ? O29 Ag1 Ag20 79.72(11) . . ? O106 Ag1 Ag20 99.82(12) . . ? Ag24 Ag1 Ag20 64.44(2) . . ? Ag16 Ag1 Ag20 99.293(19) . . ? Ag15 Ag1 Ag20 60.632(17) . . ? O9 Ag2 C1 145.2(2) . . ? O9 Ag2 O8 98.80(16) . . ? C1 Ag2 O8 108.3(2) . . ? O9 Ag2 O107 91.81(17) . . ? C1 Ag2 O107 107.05(19) . . ? O8 Ag2 O107 94.43(16) . . ? O9 Ag2 C2 125.00(19) . . ? C1 Ag2 C2 29.3(2) . . ? O8 Ag2 C2 135.57(18) . . ? O107 Ag2 C2 91.54(17) . . ? O9 Ag2 Ag21 116.52(14) . . ? C1 Ag2 Ag21 49.10(16) . . ? O8 Ag2 Ag21 82.17(11) . . ? O107 Ag2 Ag21 151.67(11) . . ? C2 Ag2 Ag21 72.49(15) . . ? O9 Ag2 Ag10 80.96(12) . . ? C1 Ag2 Ag10 71.38(16) . . ? O8 Ag2 Ag10 178.57(12) . . ? O107 Ag2 Ag10 86.98(11) . . ? C2 Ag2 Ag10 44.46(14) . . ? Ag21 Ag2 Ag10 96.673(19) . . ? O9 Ag2 Ag19 134.08(13) . . ? C1 Ag2 Ag19 56.85(16) . . ? O8 Ag2 Ag19 107.73(11) . . ? O107 Ag2 Ag19 50.20(11) . . ? C2 Ag2 Ag19 47.92(14) . . ? Ag21 Ag2 Ag19 103.93(2) . . ? Ag10 Ag2 Ag19 73.335(17) . . ? O9 Ag2 Ag22 168.50(13) . . ? C1 Ag2 Ag22 40.37(16) . . ? O8 Ag2 Ag22 71.23(11) . . ? O107 Ag2 Ag22 94.63(12) . . ? C2 Ag2 Ag22 64.41(14) . . ? Ag21 Ag2 Ag22 57.559(16) . . ? Ag10 Ag2 Ag22 108.864(18) . . ? Ag19 Ag2 Ag22 56.482(15) . . ? O31 Ag3 O6 96.24(16) . . ? O31 Ag3 C3 143.1(2) . . ? O6 Ag3 C3 111.2(2) . . ? O31 Ag3 O108 90.41(17) . . ? O6 Ag3 O108 99.18(16) . . ? C3 Ag3 O108 108.1(2) . . ? O31 Ag3 C4 125.5(2) . . ? O6 Ag3 C4 137.1(2) . . ? C3 Ag3 C4 27.9(2) . . ? O108 Ag3 C4 90.57(19) . . ? O31 Ag3 Ag23 112.86(13) . . ? O6 Ag3 Ag23 84.60(11) . . ? C3 Ag3 Ag23 49.42(17) . . ? O108 Ag3 Ag23 156.01(11) . . ? C4 Ag3 Ag23 71.49(16) . . ? O31 Ag3 Ag18 81.11(12) . . ? O6 Ag3 Ag18 177.34(12) . . ? C3 Ag3 Ag18 71.10(17) . . ? O108 Ag3 Ag18 81.12(11) . . ? C4 Ag3 Ag18 45.43(16) . . ? Ag23 Ag3 Ag18 96.20(2) . . ? O31 Ag3 Ag14 135.04(13) . . ? O6 Ag3 Ag14 110.02(11) . . ? C3 Ag3 Ag14 57.81(17) . . ? O108 Ag3 Ag14 50.76(11) . . ? C4 Ag3 Ag14 48.19(16) . . ? Ag23 Ag3 Ag14 105.59(2) . . ? Ag18 Ag3 Ag14 72.241(17) . . ? O31 Ag3 Ag17 167.29(12) . . ? O6 Ag3 Ag17 74.10(11) . . ? C3 Ag3 Ag17 40.55(16) . . ? O108 Ag3 Ag17 99.17(12) . . ? C4 Ag3 Ag17 63.12(16) . . ? Ag23 Ag3 Ag17 58.845(17) . . ? Ag18 Ag3 Ag17 108.497(19) . . ? Ag14 Ag3 Ag17 57.376(16) . . ? C2 Ag4 O2 137.6(2) . . ? C2 Ag4 O34 120.0(2) . . ? O2 Ag4 O34 95.72(17) . . ? C2 Ag4 O110 110.7(2) . . ? O2 Ag4 O110 86.07(18) . . ? O34 Ag4 O110 94.97(17) . . ? C2 Ag4 Ag10 50.27(16) . . ? O2 Ag4 Ag10 112.06(13) . . ? O34 Ag4 Ag10 91.51(11) . . ? O110 Ag4 Ag10 160.05(11) . . ? C2 Ag4 Ag19 54.60(16) . . ? O2 Ag4 Ag19 88.32(12) . . ? O34 Ag4 Ag19 174.02(12) . . ? O110 Ag4 Ag19 89.68(12) . . ? Ag10 Ag4 Ag19 82.879(19) . . ? C2 Ag4 Ag8 62.00(16) . . ? O2 Ag4 Ag8 127.08(14) . . ? O34 Ag4 Ag8 112.56(11) . . ? O110 Ag4 Ag8 49.29(11) . . ? Ag10 Ag4 Ag8 110.89(2) . . ? Ag19 Ag4 Ag8 67.914(17) . . ? C2 Ag4 Ag9 45.98(16) . . ? O2 Ag4 Ag9 172.96(13) . . ? O34 Ag4 Ag9 78.29(12) . . ? O110 Ag4 Ag9 98.04(12) . . ? Ag10 Ag4 Ag9 64.836(17) . . ? Ag19 Ag4 Ag9 97.372(18) . . ? Ag8 Ag4 Ag9 59.372(16) . . ? N17 Ag5 O24 92.46(18) 4 . ? N17 Ag5 O102 104.30(18) 4 1_556 ? O24 Ag5 O102 90.68(16) . 1_556 ? N17 Ag5 C3 117.2(2) 4 . ? O24 Ag5 C3 125.32(19) . . ? O102 Ag5 C3 120.7(2) 1_556 . ? N17 Ag5 Ag17 117.73(14) 4 . ? O24 Ag5 Ag17 79.15(11) . . ? O102 Ag5 Ag17 136.95(13) 1_556 . ? C3 Ag5 Ag17 46.86(15) . . ? N17 Ag5 Ag6 125.76(13) 4 . ? O24 Ag5 Ag6 130.08(13) . . ? O102 Ag5 Ag6 52.88(11) 1_556 . ? C3 Ag5 Ag6 68.53(16) . . ? Ag17 Ag5 Ag6 103.84(2) . . ? N17 Ag5 Ag11 79.80(13) 4 . ? O24 Ag5 Ag11 164.94(12) . . ? O102 Ag5 Ag11 103.70(12) 1_556 . ? C3 Ag5 Ag11 50.31(15) . . ? Ag17 Ag5 Ag11 92.94(2) . . ? Ag6 Ag5 Ag11 64.089(16) . . ? C4 Ag6 O28 135.6(2) . . ? C4 Ag6 O26 120.8(2) . . ? O28 Ag6 O26 96.43(16) . . ? C4 Ag6 O102 112.2(2) . 1_556 ? O28 Ag6 O102 86.10(17) . 1_556 ? O26 Ag6 O102 93.70(16) . 1_556 ? C4 Ag6 Ag18 48.50(19) . . ? O28 Ag6 Ag18 112.29(13) . . ? O26 Ag6 Ag18 92.91(11) . . ? O102 Ag6 Ag18 159.60(11) 1_556 . ? C4 Ag6 Ag14 53.69(17) . . ? O28 Ag6 Ag14 85.74(12) . . ? O26 Ag6 Ag14 170.59(11) . . ? O102 Ag6 Ag14 95.58(12) 1_556 . ? Ag18 Ag6 Ag14 77.833(19) . . ? C4 Ag6 Ag5 62.60(19) . . ? O28 Ag6 Ag5 126.58(13) . . ? O26 Ag6 Ag5 112.95(11) . . ? O102 Ag6 Ag5 50.07(11) 1_556 . ? Ag18 Ag6 Ag5 109.71(2) . . ? Ag14 Ag6 Ag5 72.349(18) . . ? C4 Ag6 Ag11 47.18(18) . . ? O28 Ag6 Ag11 174.47(13) . . ? O26 Ag6 Ag11 78.80(11) . . ? O102 Ag6 Ag11 96.92(12) 1_556 . ? Ag18 Ag6 Ag11 65.538(17) . . ? Ag14 Ag6 Ag11 98.524(19) . . ? Ag5 Ag6 Ag11 58.463(16) . . ? O18 Ag7 O20 98.63(16) . . ? O18 Ag7 C6 142.9(2) . . ? O20 Ag7 C6 112.8(2) . . ? O18 Ag7 C5 121.05(19) . . ? O20 Ag7 C5 139.93(19) . . ? C6 Ag7 C5 28.8(2) . . ? O18 Ag7 O104 98.67(17) . . ? O20 Ag7 O104 85.09(16) . . ? C6 Ag7 O104 103.0(2) . . ? C5 Ag7 O104 93.57(19) . . ? O18 Ag7 Ag13 114.76(12) . . ? O20 Ag7 Ag13 91.89(12) . . ? C6 Ag7 Ag13 47.98(18) . . ? C5 Ag7 Ag13 67.85(15) . . ? O104 Ag7 Ag13 146.49(12) . . ? O18 Ag7 Ag24 78.98(11) . . ? O20 Ag7 Ag24 170.53(12) . . ? C6 Ag7 Ag24 72.86(16) . . ? C5 Ag7 Ag24 44.50(15) . . ? O104 Ag7 Ag24 86.22(12) . . ? Ag13 Ag7 Ag24 97.43(2) . . ? O18 Ag7 Ag16 139.71(12) . . ? O20 Ag7 Ag16 103.44(11) . . ? C6 Ag7 Ag16 51.92(18) . . ? C5 Ag7 Ag16 49.81(16) . . ? O104 Ag7 Ag16 51.06(11) . . ? Ag13 Ag7 Ag16 97.880(19) . . ? Ag24 Ag7 Ag16 73.725(18) . . ? O18 Ag7 Ag12 165.43(12) . . ? O20 Ag7 Ag12 73.32(11) . . ? C6 Ag7 Ag12 40.21(16) . . ? C5 Ag7 Ag12 66.74(15) . . ? O104 Ag7 Ag12 92.80(12) . . ? Ag13 Ag7 Ag12 54.698(15) . . ? Ag24 Ag7 Ag12 110.898(19) . . ? Ag16 Ag7 Ag12 54.853(15) . . ? N13 Ag8 O110 109.61(19) 4_554 . ? N13 Ag8 O14 94.42(18) 4_554 . ? O110 Ag8 O14 90.99(17) . . ? N13 Ag8 C1 110.8(2) 4_554 . ? O110 Ag8 C1 121.68(19) . . ? O14 Ag8 C1 125.16(19) . . ? N13 Ag8 Ag22 110.93(14) 4_554 . ? O110 Ag8 Ag22 138.73(14) . . ? O14 Ag8 Ag22 78.58(11) . . ? C1 Ag8 Ag22 47.33(15) . . ? N13 Ag8 Ag4 125.70(13) 4_554 . ? O110 Ag8 Ag4 52.70(12) . . ? O14 Ag8 Ag4 131.12(13) . . ? C1 Ag8 Ag4 69.74(15) . . ? Ag22 Ag8 Ag4 106.41(2) . . ? N13 Ag8 Ag9 76.17(13) 4_554 . ? O110 Ag8 Ag9 104.99(12) . . ? O14 Ag8 Ag9 163.39(13) . . ? C1 Ag8 Ag9 49.36(15) . . ? Ag22 Ag8 Ag9 91.870(19) . . ? Ag4 Ag8 Ag9 64.480(16) . . ? N13 Ag8 Ag19 165.16(13) 4_554 . ? O110 Ag8 Ag19 81.93(14) . . ? O14 Ag8 Ag19 94.69(13) . . ? C1 Ag8 Ag19 54.36(15) . . ? Ag22 Ag8 Ag19 59.694(16) . . ? Ag4 Ag8 Ag19 53.647(15) . . ? Ag9 Ag8 Ag19 92.074(18) . . ? O35 Ag9 C2 149.98(19) . . ? O35 Ag9 O33 94.92(16) . . ? C2 Ag9 O33 112.47(19) . . ? O35 Ag9 C1 120.67(19) . . ? C2 Ag9 C1 29.7(2) . . ? O33 Ag9 C1 133.75(19) . . ? O35 Ag9 O103 102.87(16) . . ? C2 Ag9 O103 93.65(18) . . ? O33 Ag9 O103 81.06(16) . . ? C1 Ag9 O103 114.44(19) . . ? O35 Ag9 Ag21 79.76(11) . . ? C2 Ag9 Ag21 71.42(15) . . ? O33 Ag9 Ag21 170.96(11) . . ? C1 Ag9 Ag21 46.74(15) . . ? O103 Ag9 Ag21 107.16(12) . . ? O35 Ag9 Ag8 111.06(12) . . ? C2 Ag9 Ag8 58.53(15) . . ? O33 Ag9 Ag8 91.21(11) . . ? C1 Ag9 Ag8 50.70(16) . . ? O103 Ag9 Ag8 145.74(12) . . ? Ag21 Ag9 Ag8 83.989(18) . . ? O35 Ag9 Ag4 159.91(12) . . ? C2 Ag9 Ag4 40.99(15) . . ? O33 Ag9 Ag4 71.56(11) . . ? C1 Ag9 Ag4 65.52(15) . . ? O103 Ag9 Ag4 89.93(12) . . ? Ag21 Ag9 Ag4 111.497(19) . . ? Ag8 Ag9 Ag4 56.148(15) . . ? O35 Ag9 Ag10 149.06(12) . . ? C2 Ag9 Ag10 41.55(15) . . ? O33 Ag9 Ag10 98.18(11) . . ? C1 Ag9 Ag10 66.95(16) . . ? O103 Ag9 Ag10 52.31(11) . . ? Ag21 Ag9 Ag10 89.998(18) . . ? Ag8 Ag9 Ag10 96.604(18) . . ? Ag4 Ag9 Ag10 50.344(15) . . ? C2 Ag10 N1 139.7(2) . . ? C2 Ag10 O10 125.8(2) . . ? N1 Ag10 O10 92.56(19) . . ? C2 Ag10 Ag4 49.54(16) . . ? N1 Ag10 Ag4 91.30(14) . . ? O10 Ag10 Ag4 174.24(11) . . ? C2 Ag10 Ag2 52.86(16) . . ? N1 Ag10 Ag2 145.52(14) . . ? O10 Ag10 Ag2 76.40(12) . . ? Ag4 Ag10 Ag2 98.02(2) . . ? C2 Ag10 Ag9 46.00(16) . . ? N1 Ag10 Ag9 132.90(14) . . ? O10 Ag10 Ag9 115.05(13) . . ? Ag4 Ag10 Ag9 64.820(17) . . ? Ag2 Ag10 Ag9 80.419(17) . . ? O4 Ag11 O25 94.28(15) . . ? O4 Ag11 C4 147.78(19) . . ? O25 Ag11 C4 115.1(2) . . ? O4 Ag11 C3 119.6(2) . . ? O25 Ag11 C3 136.0(2) . . ? C4 Ag11 C3 28.5(2) . . ? O4 Ag11 O105 104.03(16) . . ? O25 Ag11 O105 84.17(16) . . ? C4 Ag11 O105 92.3(2) . . ? C3 Ag11 O105 110.8(2) . . ? O4 Ag11 Ag23 79.34(11) . . ? O25 Ag11 Ag23 172.42(11) . . ? C4 Ag11 Ag23 70.24(16) . . ? C3 Ag11 Ag23 47.00(16) . . ? O105 Ag11 Ag23 101.27(12) . . ? O4 Ag11 Ag5 107.30(11) . . ? O25 Ag11 Ag5 93.32(11) . . ? C4 Ag11 Ag5 60.50(18) . . ? C3 Ag11 Ag5 52.20(17) . . ? O105 Ag11 Ag5 148.67(11) . . ? Ag23 Ag11 Ag5 84.777(18) . . ? O4 Ag11 Ag6 158.27(11) . . ? O25 Ag11 Ag6 72.93(11) . . ? C4 Ag11 Ag6 42.43(16) . . ? C3 Ag11 Ag6 65.58(16) . . ? O105 Ag11 Ag6 92.31(12) . . ? Ag23 Ag11 Ag6 111.807(19) . . ? Ag5 Ag11 Ag6 57.448(15) . . ? O4 Ag11 Ag18 149.58(11) . . ? O25 Ag11 Ag18 100.58(11) . . ? C4 Ag11 Ag18 40.73(17) . . ? C3 Ag11 Ag18 64.75(17) . . ? O105 Ag11 Ag18 52.08(11) . . ? Ag23 Ag11 Ag18 86.965(18) . . ? Ag5 Ag11 Ag18 98.230(18) . . ? Ag6 Ag11 Ag18 52.019(15) . . ? C6 Ag12 O16 138.5(2) . . ? C6 Ag12 O19 122.5(2) . . ? O16 Ag12 O19 96.32(17) . . ? C6 Ag12 O111 101.9(2) . . ? O16 Ag12 O111 88.32(18) . . ? O19 Ag12 O111 93.61(17) . . ? C6 Ag12 Ag15 53.47(18) . . ? O16 Ag12 Ag15 85.24(12) . . ? O19 Ag12 Ag15 165.25(11) . . ? O111 Ag12 Ag15 101.11(13) . . ? C6 Ag12 Ag13 50.79(19) . . ? O16 Ag12 Ag13 132.44(14) . . ? O19 Ag12 Ag13 110.03(11) . . ? O111 Ag12 Ag13 52.32(11) . . ? Ag15 Ag12 Ag13 78.80(2) . . ? C6 Ag12 Ag16 56.9(2) . . ? O16 Ag12 Ag16 111.60(13) . . ? O19 Ag12 Ag16 93.58(11) . . ? O111 Ag12 Ag16 157.89(11) . . ? Ag15 Ag12 Ag16 72.332(19) . . ? Ag13 Ag12 Ag16 105.61(2) . . ? C6 Ag12 Ag7 45.85(18) . . ? O16 Ag12 Ag7 169.47(14) . . ? O19 Ag12 Ag7 77.13(11) . . ? O111 Ag12 Ag7 100.21(12) . . ? Ag15 Ag12 Ag7 99.015(19) . . ? Ag13 Ag12 Ag7 58.057(16) . . ? Ag16 Ag12 Ag7 61.244(16) . . ? C6 Ag13 N15 124.9(2) . 4_556 ? C6 Ag13 O11 132.7(2) . . ? N15 Ag13 O11 92.87(19) 4_556 . ? C6 Ag13 O111 100.1(2) . . ? N15 Ag13 O111 111.82(19) 4_556 . ? O11 Ag13 O111 88.63(17) . . ? C6 Ag13 Ag20 58.24(17) . . ? N15 Ag13 Ag20 110.71(14) 4_556 . ? O11 Ag13 Ag20 84.00(12) . . ? O111 Ag13 Ag20 137.12(14) . . ? C6 Ag13 Ag12 46.49(17) . . ? N15 Ag13 Ag12 129.19(14) 4_556 . ? O11 Ag13 Ag12 130.32(13) . . ? O111 Ag13 Ag12 54.74(12) . . ? Ag20 Ag13 Ag12 100.54(2) . . ? C6 Ag13 Ag7 50.61(17) . . ? N15 Ag13 Ag7 76.24(13) 4_556 . ? O11 Ag13 Ag7 161.01(12) . . ? O111 Ag13 Ag7 109.76(12) . . ? Ag20 Ag13 Ag7 85.403(19) . . ? Ag12 Ag13 Ag7 67.245(17) . . ? N21 Ag14 O27 90.70(18) . . ? N21 Ag14 C4 143.7(2) . . ? O27 Ag14 C4 118.4(2) . . ? N21 Ag14 O108 109.76(18) . . ? O27 Ag14 O108 89.45(16) . . ? C4 Ag14 O108 92.8(2) . . ? N21 Ag14 Ag6 131.26(14) . . ? O27 Ag14 Ag6 77.16(11) . . ? C4 Ag14 Ag6 47.80(16) . . ? O108 Ag14 Ag6 117.00(12) . . ? N21 Ag14 Ag17 79.06(13) . . ? O27 Ag14 Ag17 165.09(12) . . ? C4 Ag14 Ag17 67.78(16) . . ? O108 Ag14 Ag17 104.14(11) . . ? Ag6 Ag14 Ag17 101.41(2) . . ? N21 Ag14 Ag3 125.04(13) . . ? O27 Ag14 Ag3 131.01(12) . . ? C4 Ag14 Ag3 51.55(17) . . ? O108 Ag14 Ag3 50.04(10) . . ? Ag6 Ag14 Ag3 96.276(19) . . ? Ag17 Ag14 Ag3 63.816(16) . . ? N23 Ag15 C6 123.5(2) 2_554 . ? N23 Ag15 O15 91.72(18) 2_554 . ? C6 Ag15 O15 126.4(2) . . ? N23 Ag15 O106 103.42(18) 2_554 . ? C6 Ag15 O106 113.5(2) . . ? O15 Ag15 O106 91.96(17) . . ? N23 Ag15 Ag12 123.41(13) 2_554 . ? C6 Ag15 Ag12 48.07(17) . . ? O15 Ag15 Ag12 79.54(12) . . ? O106 Ag15 Ag12 132.39(13) . . ? N23 Ag15 Ag1 121.63(13) 2_554 . ? C6 Ag15 Ag1 65.45(17) . . ? O15 Ag15 Ag1 131.72(13) . . ? O106 Ag15 Ag1 49.78(11) . . ? Ag12 Ag15 Ag1 103.98(2) . . ? N23 Ag15 Ag20 80.80(13) 2_554 . ? C6 Ag15 Ag20 52.68(17) . . ? O15 Ag15 Ag20 167.10(13) . . ? O106 Ag15 Ag20 99.97(11) . . ? Ag12 Ag15 Ag20 95.75(2) . . ? Ag1 Ag15 Ag20 60.981(16) . . ? N19 Ag16 O22 91.11(18) 4_456 . ? N19 Ag16 C5 154.4(2) 4_456 . ? O22 Ag16 C5 111.59(18) . . ? N19 Ag16 O104 102.84(18) 4_456 . ? O22 Ag16 O104 86.88(15) . . ? C5 Ag16 O104 90.54(19) . . ? N19 Ag16 C6 128.0(2) 4_456 . ? O22 Ag16 C6 138.26(19) . . ? C5 Ag16 C6 27.2(2) . . ? O104 Ag16 C6 96.29(18) . . ? N19 Ag16 Ag1 136.45(14) 4_456 . ? O22 Ag16 Ag1 75.56(11) . . ? C5 Ag16 Ag1 46.41(14) . . ? O104 Ag16 Ag1 117.24(12) . . ? C6 Ag16 Ag1 66.02(15) . . ? N19 Ag16 Ag12 84.92(14) 4_456 . ? O22 Ag16 Ag12 173.54(11) . . ? C5 Ag16 Ag12 71.34(14) . . ? O104 Ag16 Ag12 98.96(11) . . ? C6 Ag16 Ag12 44.21(15) . . ? Ag1 Ag16 Ag12 103.90(2) . . ? N19 Ag16 Ag7 128.94(13) 4_456 . ? O22 Ag16 Ag7 122.44(11) . . ? C5 Ag16 Ag7 47.90(14) . . ? O104 Ag16 Ag7 49.54(10) . . ? C6 Ag16 Ag7 46.75(15) . . ? Ag1 Ag16 Ag7 91.755(19) . . ? Ag12 Ag16 Ag7 63.903(16) . . ? C3 Ag17 O23 142.9(2) . . ? C3 Ag17 O5 122.2(2) . . ? O23 Ag17 O5 93.20(16) . . ? C3 Ag17 O101 99.2(2) . . ? O23 Ag17 O101 97.02(17) . . ? O5 Ag17 O101 80.58(16) . . ? C3 Ag17 Ag5 57.58(19) . . ? O23 Ag17 Ag5 85.42(11) . . ? O5 Ag17 Ag5 166.77(11) . . ? O101 Ag17 Ag5 112.65(12) . . ? C3 Ag17 Ag23 47.24(18) . . ? O23 Ag17 Ag23 143.47(13) . . ? O5 Ag17 Ag23 100.49(11) . . ? O101 Ag17 Ag23 53.02(11) . . ? Ag5 Ag17 Ag23 88.21(2) . . ? C3 Ag17 Ag14 60.14(19) . . ? O23 Ag17 Ag14 109.42(13) . . ? O5 Ag17 Ag14 96.20(11) . . ? O101 Ag17 Ag14 153.52(12) . . ? Ag5 Ag17 Ag14 72.001(18) . . ? Ag23 Ag17 Ag14 102.60(2) . . ? C3 Ag17 Ag3 46.06(19) . . ? O23 Ag17 Ag3 162.32(13) . . ? O5 Ag17 Ag3 76.20(11) . . ? O101 Ag17 Ag3 95.16(12) . . ? Ag5 Ag17 Ag3 101.63(2) . . ? Ag23 Ag17 Ag3 53.759(16) . . ? Ag14 Ag17 Ag3 58.808(16) . . ? C4 Ag18 N3 139.3(2) . 4_455 ? C4 Ag18 O32 130.4(2) . . ? N3 Ag18 O32 89.14(18) 4_455 . ? C4 Ag18 Ag6 48.82(18) . . ? N3 Ag18 Ag6 91.55(14) 4_455 . ? O32 Ag18 Ag6 179.03(12) . . ? C4 Ag18 Ag3 54.90(18) . . ? N3 Ag18 Ag3 145.71(14) 4_455 . ? O32 Ag18 Ag3 79.36(12) . . ? Ag6 Ag18 Ag3 99.69(2) . . ? C4 Ag18 Ag11 45.47(18) . . ? N3 Ag18 Ag11 131.02(14) 4_455 . ? O32 Ag18 Ag11 117.52(12) . . ? Ag6 Ag18 Ag11 62.443(16) . . ? Ag3 Ag18 Ag11 82.278(18) . . ? N5 Ag19 O1 91.53(17) . . ? N5 Ag19 C2 148.5(2) . . ? O1 Ag19 C2 114.78(19) . . ? N5 Ag19 O107 105.25(18) . . ? O1 Ag19 O107 88.96(16) . . ? C2 Ag19 O107 92.84(18) . . ? N5 Ag19 Ag4 133.76(14) . . ? O1 Ag19 Ag4 75.15(11) . . ? C2 Ag19 Ag4 47.58(15) . . ? O107 Ag19 Ag4 118.25(12) . . ? N5 Ag19 Ag22 81.98(13) . . ? O1 Ag19 Ag22 170.31(12) . . ? C2 Ag19 Ag22 69.52(15) . . ? O107 Ag19 Ag22 99.65(11) . . ? Ag4 Ag19 Ag22 104.21(2) . . ? N5 Ag19 Ag2 127.06(13) . . ? O1 Ag19 Ag2 125.87(12) . . ? C2 Ag19 Ag2 50.64(15) . . ? O107 Ag19 Ag2 48.94(10) . . ? Ag4 Ag19 Ag2 94.785(18) . . ? Ag22 Ag19 Ag2 63.742(16) . . ? N5 Ag19 Ag8 96.33(14) . . ? O1 Ag19 Ag8 121.81(12) . . ? C2 Ag19 Ag8 55.76(15) . . ? O107 Ag19 Ag8 141.99(10) . . ? Ag4 Ag19 Ag8 58.439(16) . . ? Ag22 Ag19 Ag8 52.408(15) . . ? Ag2 Ag19 Ag8 93.112(18) . . ? O12 Ag20 C5 149.89(19) . . ? O12 Ag20 O100 93.8(2) . 4 ? C5 Ag20 O100 104.4(2) . 4 ? O12 Ag20 O30 91.38(16) . . ? C5 Ag20 O30 114.27(19) . . ? O100 Ag20 O30 82.8(2) 4 . ? O12 Ag20 C6 123.0(2) . . ? C5 Ag20 C6 27.6(2) . . ? O100 Ag20 C6 124.8(2) 4 . ? O30 Ag20 C6 129.47(19) . . ? O12 Ag20 Ag13 79.14(11) . . ? C5 Ag20 Ag13 71.67(15) . . ? O100 Ag20 Ag13 113.7(2) 4 . ? O30 Ag20 Ag13 161.25(12) . . ? C6 Ag20 Ag13 49.02(16) . . ? O12 Ag20 Ag15 104.84(12) . . ? C5 Ag20 Ag15 60.03(16) . . ? O100 Ag20 Ag15 161.2(2) 4 . ? O30 Ag20 Ag15 93.92(12) . . ? C6 Ag20 Ag15 45.55(15) . . ? Ag13 Ag20 Ag15 73.292(18) . . ? O12 Ag20 Ag1 153.94(12) . . ? C5 Ag20 Ag1 42.75(15) . . ? O100 Ag20 Ag1 103.3(2) 4 . ? O30 Ag20 Ag1 71.70(11) . . ? C6 Ag20 Ag1 61.76(16) . . ? Ag13 Ag20 Ag1 110.77(2) . . ? Ag15 Ag20 Ag1 58.387(16) . . ? O12 Ag20 Ag24 153.60(13) . . ? C5 Ag20 Ag24 41.90(15) . . ? O100 Ag20 Ag24 63.66(18) 4 . ? O30 Ag20 Ag24 98.62(11) . . ? C6 Ag20 Ag24 67.65(16) . . ? Ag13 Ag20 Ag24 96.90(2) . . ? Ag15 Ag20 Ag24 98.81(2) . . ? Ag1 Ag20 Ag24 51.681(17) . . ? C1 Ag21 N7 138.7(2) . 2_564 ? C1 Ag21 O36 122.6(2) . . ? N7 Ag21 O36 92.72(17) 2_564 . ? C1 Ag21 O109 97.6(2) . . ? N7 Ag21 O109 106.24(18) 2_564 . ? O36 Ag21 O109 85.94(16) . . ? C1 Ag21 Ag2 52.82(17) . . ? N7 Ag21 Ag2 87.74(14) 2_564 . ? O36 Ag21 Ag2 166.54(11) . . ? O109 Ag21 Ag2 106.86(11) . . ? C1 Ag21 Ag22 45.52(17) . . ? N7 Ag21 Ag22 136.71(14) 2_564 . ? O36 Ag21 Ag22 118.92(12) . . ? O109 Ag21 Ag22 52.88(10) . . ? Ag2 Ag21 Ag22 68.214(17) . . ? C1 Ag21 Ag9 52.22(17) . . ? N7 Ag21 Ag9 125.41(14) 2_564 . ? O36 Ag21 Ag9 80.20(11) . . ? O109 Ag21 Ag9 126.78(12) . . ? Ag2 Ag21 Ag9 88.561(19) . . ? Ag22 Ag21 Ag9 90.697(18) . . ? C1 Ag22 O13 143.5(2) . . ? C1 Ag22 O7 123.2(2) . . ? O13 Ag22 O7 91.13(16) . . ? C1 Ag22 O109 101.0(2) . . ? O13 Ag22 O109 95.68(17) . . ? O7 Ag22 O109 81.26(16) . . ? C1 Ag22 Ag8 57.73(17) . . ? O13 Ag22 Ag8 85.80(12) . . ? O7 Ag22 Ag8 161.89(11) . . ? O109 Ag22 Ag8 116.79(12) . . ? C1 Ag22 Ag21 47.85(17) . . ? O13 Ag22 Ag21 143.01(13) . . ? O7 Ag22 Ag21 102.74(11) . . ? O109 Ag22 Ag21 53.99(11) . . ? Ag8 Ag22 Ag21 90.206(19) . . ? C1 Ag22 Ag19 60.14(17) . . ? O13 Ag22 Ag19 108.42(13) . . ? O7 Ag22 Ag19 96.37(11) . . ? O109 Ag22 Ag19 155.84(12) . . ? Ag8 Ag22 Ag19 67.899(18) . . ? Ag21 Ag22 Ag19 103.93(2) . . ? C1 Ag22 Ag2 45.18(17) . . ? O13 Ag22 Ag2 162.31(13) . . ? O7 Ag22 Ag2 78.03(11) . . ? O109 Ag22 Ag2 96.42(12) . . ? Ag8 Ag22 Ag2 100.127(19) . . ? Ag21 Ag22 Ag2 54.227(16) . . ? Ag19 Ag22 Ag2 59.776(16) . . ? C3 Ag23 N9 140.0(2) . 1_554 ? C3 Ag23 O3 123.0(2) . . ? N9 Ag23 O3 91.39(18) 1_554 . ? C3 Ag23 O101 95.7(2) . . ? N9 Ag23 O101 107.35(18) 1_554 . ? O3 Ag23 O101 85.94(16) . . ? C3 Ag23 Ag3 53.57(18) . . ? N9 Ag23 Ag3 88.40(14) 1_554 . ? O3 Ag23 Ag3 168.05(12) . . ? O101 Ag23 Ag3 105.53(11) . . ? C3 Ag23 Ag11 52.00(17) . . ? N9 Ag23 Ag11 126.33(13) 1_554 . ? O3 Ag23 Ag11 80.83(11) . . ? O101 Ag23 Ag11 124.67(12) . . ? Ag3 Ag23 Ag11 89.67(2) . . ? C3 Ag23 Ag17 44.60(17) . . ? N9 Ag23 Ag17 137.25(13) 1_554 . ? O3 Ag23 Ag17 119.42(12) . . ? O101 Ag23 Ag17 52.10(11) . . ? Ag3 Ag23 Ag17 67.397(18) . . ? Ag11 Ag23 Ag17 89.696(18) . . ? C5 Ag24 N11 144.1(2) . . ? C5 Ag24 O17 124.7(2) . . ? N11 Ag24 O17 90.84(19) . . ? C5 Ag24 Ag1 50.04(17) . . ? N11 Ag24 Ag1 95.09(14) . . ? O17 Ag24 Ag1 172.20(13) . . ? C5 Ag24 Ag7 51.69(17) . . ? N11 Ag24 Ag7 147.32(16) . . ? O17 Ag24 Ag7 79.42(11) . . ? Ag1 Ag24 Ag7 98.07(2) . . ? C5 Ag24 Ag20 46.13(18) . . ? N11 Ag24 Ag20 132.95(16) . . ? O17 Ag24 Ag20 108.34(13) . . ? Ag1 Ag24 Ag20 63.882(18) . . ? Ag7 Ag24 Ag20 79.510(18) . . ? C2 C1 Ag22 137.5(5) . . ? C2 C1 Ag21 132.7(5) . . ? Ag22 C1 Ag21 86.6(2) . . ? C2 C1 Ag2 81.6(4) . . ? Ag22 C1 Ag2 94.4(2) . . ? Ag21 C1 Ag2 78.1(2) . . ? C2 C1 Ag9 73.0(4) . . ? Ag22 C1 Ag9 139.7(3) . . ? Ag21 C1 Ag9 81.0(2) . . ? Ag2 C1 Ag9 119.8(3) . . ? C2 C1 Ag8 91.0(4) . . ? Ag22 C1 Ag8 74.9(2) . . ? Ag21 C1 Ag8 122.8(3) . . ? Ag2 C1 Ag8 155.0(3) . . ? Ag9 C1 Ag8 79.94(19) . . ? C1 C2 Ag4 137.2(5) . . ? C1 C2 Ag10 140.9(5) . . ? Ag4 C2 Ag10 80.2(2) . . ? C1 C2 Ag9 77.3(4) . . ? Ag4 C2 Ag9 93.0(2) . . ? Ag10 C2 Ag9 92.4(2) . . ? C1 C2 Ag19 92.5(4) . . ? Ag4 C2 Ag19 77.82(19) . . ? Ag10 C2 Ag19 110.0(3) . . ? Ag9 C2 Ag19 153.5(3) . . ? C1 C2 Ag2 69.1(4) . . ? Ag4 C2 Ag2 146.6(3) . . ? Ag10 C2 Ag2 82.7(2) . . ? Ag9 C2 Ag2 116.3(2) . . ? Ag19 C2 Ag2 81.44(19) . . ? C4 C3 Ag17 136.2(6) . . ? C4 C3 Ag23 131.8(6) . . ? Ag17 C3 Ag23 88.2(2) . . ? C4 C3 Ag3 81.7(5) . . ? Ag17 C3 Ag3 93.4(2) . . ? Ag23 C3 Ag3 77.0(2) . . ? C4 C3 Ag11 73.7(5) . . ? Ag17 C3 Ag11 140.1(3) . . ? Ag23 C3 Ag11 81.0(2) . . ? Ag3 C3 Ag11 120.7(3) . . ? C4 C3 Ag5 93.1(5) . . ? Ag17 C3 Ag5 75.6(2) . . ? Ag23 C3 Ag5 120.8(3) . . ? Ag3 C3 Ag5 158.0(3) . . ? Ag11 C3 Ag5 77.5(2) . . ? C3 C4 Ag18 139.9(6) . . ? C3 C4 Ag6 135.7(6) . . ? Ag18 C4 Ag6 82.7(2) . . ? C3 C4 Ag11 77.8(5) . . ? Ag18 C4 Ag11 93.8(2) . . ? Ag6 C4 Ag11 90.4(2) . . ? C3 C4 Ag14 95.4(5) . . ? Ag18 C4 Ag14 105.5(3) . . ? Ag6 C4 Ag14 78.5(2) . . ? Ag11 C4 Ag14 156.1(3) . . ? C3 C4 Ag3 70.5(5) . . ? Ag18 C4 Ag3 79.7(2) . . ? Ag6 C4 Ag3 147.5(3) . . ? Ag11 C4 Ag3 117.7(3) . . ? Ag14 C4 Ag3 80.3(2) . . ? C6 C5 Ag24 154.8(6) . . ? C6 C5 Ag1 124.5(5) . . ? Ag24 C5 Ag1 80.6(2) . . ? C6 C5 Ag20 87.7(5) . . ? Ag24 C5 Ag20 92.0(2) . . ? Ag1 C5 Ag20 90.8(2) . . ? C6 C5 Ag7 73.8(4) . . ? Ag24 C5 Ag7 83.8(2) . . ? Ag1 C5 Ag7 149.4(3) . . ? Ag20 C5 Ag7 116.0(3) . . ? C6 C5 Ag16 80.2(5) . . ? Ag24 C5 Ag16 108.5(3) . . ? Ag1 C5 Ag16 77.9(2) . . ? Ag20 C5 Ag16 154.4(3) . . ? Ag7 C5 Ag16 82.3(2) . . ? C5 C6 Ag12 151.1(6) . . ? C5 C6 Ag13 122.2(6) . . ? Ag12 C6 Ag13 82.7(2) . . ? C5 C6 Ag15 105.5(5) . . ? Ag12 C6 Ag15 78.5(2) . . ? Ag13 C6 Ag15 105.0(3) . . ? C5 C6 Ag7 77.4(5) . . ? Ag12 C6 Ag7 93.9(3) . . ? Ag13 C6 Ag7 81.4(2) . . ? Ag15 C6 Ag7 169.2(3) . . ? C5 C6 Ag16 72.6(5) . . ? Ag12 C6 Ag16 78.9(2) . . ? Ag13 C6 Ag16 153.7(3) . . ? Ag15 C6 Ag16 89.6(2) . . ? Ag7 C6 Ag16 81.3(2) . . ? C5 C6 Ag20 64.7(5) . . ? Ag12 C6 Ag20 143.1(3) . . ? Ag13 C6 Ag20 72.7(2) . . ? Ag15 C6 Ag20 81.8(2) . . ? Ag7 C6 Ag20 108.7(2) . . ? Ag16 C6 Ag20 131.9(3) . . ? C7 O1 Ag19 126.2(4) . . ? C7 O2 Ag4 116.4(4) . . ? O1 C7 O2 129.8(6) . . ? O1 C7 C8 115.3(6) . . ? O2 C7 C8 114.8(6) . . ? F11 C8 F12 108.4(6) . . ? F11 C8 F13 107.0(6) . . ? F12 C8 F13 107.4(6) . . ? F11 C8 C7 113.0(6) . . ? F12 C8 C7 109.5(6) . . ? F13 C8 C7 111.5(6) . . ? C9 O3 Ag23 120.1(4) . . ? C9 O4 Ag11 127.5(4) . . ? O4 C9 O3 131.9(6) . . ? O4 C9 C10 115.1(6) . . ? O3 C9 C10 113.0(6) . . ? F22 C10 F21 108.3(7) . . ? F22 C10 F23 106.3(6) . . ? F21 C10 F23 106.4(6) . . ? F22 C10 C9 110.9(6) . . ? F21 C10 C9 113.9(6) . . ? F23 C10 C9 110.7(6) . . ? C11 O5 Ag17 119.1(4) . . ? C11 O6 Ag3 127.0(4) . . ? O6 C11 O5 130.1(6) . . ? O6 C11 C12 115.5(6) . . ? O5 C11 C12 114.3(6) . . ? F31 C12 F33 108.3(6) . . ? F31 C12 F32 106.8(5) . . ? F33 C12 F32 107.1(5) . . ? F31 C12 C11 112.1(5) . . ? F33 C12 C11 110.9(5) . . ? F32 C12 C11 111.3(5) . . ? C13 O7 Ag22 116.8(4) . . ? C13 O8 Ag2 129.1(4) . . ? O8 C13 O7 129.8(6) . . ? O8 C13 C14 115.9(6) . . ? O7 C13 C14 114.3(6) . . ? F42 C14 F41 107.9(6) . . ? F42 C14 F43 108.0(6) . . ? F41 C14 F43 107.1(5) . . ? F42 C14 C13 111.9(5) . . ? F41 C14 C13 111.6(6) . . ? F43 C14 C13 110.2(6) . . ? C15 O9 Ag2 124.0(4) . . ? C15 O10 Ag10 123.2(4) . . ? O9 C15 O10 130.9(7) . . ? O9 C15 C16 114.4(6) . . ? O10 C15 C16 114.7(6) . . ? F52 C16 F53 106.2(6) . . ? F52 C16 F51 109.1(7) . . ? F53 C16 F51 104.7(7) . . ? F52 C16 C15 114.1(6) . . ? F53 C16 C15 113.6(7) . . ? F51 C16 C15 108.7(6) . . ? C17 O11 Ag13 119.2(4) . . ? C17 O12 Ag20 127.9(4) . . ? O11 C17 O12 129.3(6) . . ? O11 C17 C18 115.1(6) . . ? O12 C17 C18 115.6(6) . . ? F63 C18 F61 107.9(7) . . ? F63 C18 F62 107.0(7) . . ? F61 C18 F62 106.1(7) . . ? F63 C18 C17 111.1(6) . . ? F61 C18 C17 111.7(7) . . ? F62 C18 C17 112.7(6) . . ? C19 O13 Ag22 120.7(4) . . ? C19 O14 Ag8 123.6(5) . . ? O14 C19 O13 129.1(7) . . ? O14 C19 C20 115.8(6) . . ? O13 C19 C20 115.1(6) . . ? F71 C20 F73 107.0(8) . . ? F71 C20 F72 106.6(9) . . ? F73 C20 F72 105.9(7) . . ? F71 C20 C19 113.3(6) . . ? F73 C20 C19 112.3(7) . . ? F72 C20 C19 111.3(6) . . ? C21 O15 Ag15 121.1(4) . . ? C21 O16 Ag12 121.1(4) . . ? O15 C21 O16 130.2(7) . . ? O15 C21 C22 115.3(6) . . ? O16 C21 C22 114.4(6) . . ? F83 C22 F81 106.9(7) . . ? F83 C22 F82 107.7(6) . . ? F81 C22 F82 108.4(7) . . ? F83 C22 C21 113.6(6) . . ? F81 C22 C21 108.5(6) . . ? F82 C22 C21 111.6(6) . . ? C23 O17 Ag24 121.6(4) . . ? C23 O18 Ag7 126.4(4) . . ? O17 C23 O18 131.5(7) . . ? O17 C23 C24 112.9(6) . . ? O18 C23 C24 115.5(6) . . ? F92 C24 F93 107.9(7) . . ? F92 C24 F91 106.8(7) . . ? F93 C24 F91 105.7(7) . . ? F92 C24 C23 114.4(6) . . ? F93 C24 C23 111.2(7) . . ? F91 C24 C23 110.4(7) . . ? C25 O19 Ag12 122.5(4) . . ? C25 O20 Ag7 125.7(4) . . ? O20 C25 O19 130.5(6) . . ? O20 C25 C26 114.5(6) . . ? O19 C25 C26 115.0(6) . . ? F103 C26 F101 108.6(6) . . ? F103 C26 F102 108.2(6) . . ? F101 C26 F102 106.5(6) . . ? F103 C26 C25 112.5(6) . . ? F101 C26 C25 110.1(6) . . ? F102 C26 C25 110.7(6) . . ? C27 O21 Ag1 117.5(4) . . ? C27 O22 Ag16 123.9(4) . . ? O21 C27 O22 132.1(7) . . ? O21 C27 C28 114.5(6) . . ? O22 C27 C28 113.3(6) . . ? F113 C28 F112 106.7(6) . . ? F113 C28 F111 104.5(6) . . ? F112 C28 F111 107.2(6) . . ? F113 C28 C27 115.1(6) . . ? F112 C28 C27 113.8(6) . . ? F111 C28 C27 108.9(6) . . ? C29 O23 Ag17 120.8(4) . . ? C29 O24 Ag5 122.5(4) . . ? O24 C29 O23 130.9(7) . . ? O24 C29 C30 115.4(6) . . ? O23 C29 C30 113.7(6) . . ? F123 C30 F121 107.9(8) . . ? F123 C30 F122 106.1(7) . . ? F121 C30 F122 103.8(7) . . ? F123 C30 C29 112.6(6) . . ? F121 C30 C29 112.1(7) . . ? F122 C30 C29 113.6(7) . . ? C31 O25 Ag11 124.9(4) . . ? C31 O26 Ag6 120.8(4) . . ? O26 C31 O25 130.5(6) . . ? O26 C31 C32 115.7(6) . . ? O25 C31 C32 113.8(6) . . ? F131 C32 F132 107.4(5) . . ? F131 C32 F133 107.1(5) . . ? F132 C32 F133 108.9(5) . . ? F131 C32 C31 110.1(5) . . ? F132 C32 C31 111.8(5) . . ? F133 C32 C31 111.2(5) . . ? C33 O27 Ag14 124.7(4) . . ? C33 O28 Ag6 119.6(4) . . ? O27 C33 O28 129.7(7) . . ? O27 C33 C34 116.3(6) . . ? O28 C33 C34 113.9(6) . . ? F142 C34 F141 108.7(6) . . ? F142 C34 F143 107.1(6) . . ? F141 C34 F143 105.4(6) . . ? F142 C34 C33 112.6(6) . . ? F141 C34 C33 110.2(6) . . ? F143 C34 C33 112.6(6) . . ? C35 O29 Ag1 119.2(4) . . ? C35 O30 Ag20 122.7(4) . . ? O29 C35 O30 130.4(6) . . ? O29 C35 C36 114.6(6) . . ? O30 C35 C36 115.1(6) . . ? F153 C36 F151 107.4(5) . . ? F153 C36 F152 107.2(5) . . ? F151 C36 F152 107.2(6) . . ? F153 C36 C35 112.3(5) . . ? F151 C36 C35 110.9(5) . . ? F152 C36 C35 111.6(5) . . ? C37 O31 Ag3 125.1(4) . . ? C37 O32 Ag18 120.4(5) . . ? O31 C37 O32 131.4(7) . . ? O31 C37 C38 113.8(6) . . ? O32 C37 C38 114.7(7) . . ? F161 C38 F163 106.9(7) . . ? F161 C38 F162 105.7(8) . . ? F163 C38 F162 103.8(6) . . ? F161 C38 C37 110.5(7) . . ? F163 C38 C37 114.5(6) . . ? F162 C38 C37 114.6(7) . . ? C39 O33 Ag9 124.2(4) . . ? C39 O34 Ag4 122.6(4) . . ? O34 C39 O33 129.5(6) . . ? O34 C39 C40 115.2(6) . . ? O33 C39 C40 115.2(6) . . ? F172 C40 F173 108.0(6) . . ? F172 C40 F171 107.4(6) . . ? F173 C40 F171 107.8(5) . . ? F172 C40 C39 110.9(5) . . ? F173 C40 C39 111.2(6) . . ? F171 C40 C39 111.5(6) . . ? C41 O35 Ag9 127.4(4) . . ? C41 O36 Ag21 120.6(4) . . ? O35 C41 O36 130.9(6) . . ? O35 C41 C42 115.4(6) . . ? O36 C41 C42 113.5(6) . . ? F183 C42 F181 107.0(6) . . ? F183 C42 F182 106.6(6) . . ? F181 C42 F182 106.3(6) . . ? F183 C42 C41 114.0(6) . . ? F181 C42 C41 111.3(6) . . ? F182 C42 C41 111.1(6) . . ? C105 O100 Ag20 158.5(6) . 4_454 ? C101 N1 C102 118.2(6) . . ? C101 N1 Ag10 121.6(4) . . ? C102 N1 Ag10 120.2(5) . . ? C101 C100 C104 117.5(6) . . ? C101 C100 C105 122.4(6) . . ? C104 C100 C105 120.1(6) . . ? N1 C101 C100 124.4(6) . . ? N1 C102 C103 121.5(6) . . ? C104 C103 C102 120.0(6) . . ? C103 C104 C100 118.5(6) . . ? O100 C105 N2 118.3(7) . . ? O100 C105 C100 122.7(7) . . ? N2 C105 C100 119.0(6) . . ? C111 O101 Ag17 149.8(5) . . ? C111 O101 Ag23 133.0(4) . . ? Ag17 O101 Ag23 74.88(13) . . ? C107 C108 C109 119.7(6) . . ? C107 C106 C110 117.8(6) . . ? C107 C106 C111 120.9(6) . . ? C110 C106 C111 121.3(6) . . ? C108 C107 C106 119.2(6) . . ? N3 C109 C108 121.7(6) . . ? C110 N3 C109 117.9(6) . . ? C110 N3 Ag18 119.2(4) . 4_554 ? C109 N3 Ag18 122.8(5) . 4_554 ? N3 C110 C106 123.6(6) . . ? O101 C111 N4 120.5(6) . . ? O101 C111 C106 121.1(6) . . ? N4 C111 C106 118.4(6) . . ? C117 O102 Ag5 132.5(4) . 1_554 ? C117 O102 Ag6 148.6(5) . 1_554 ? Ag5 O102 Ag6 77.05(14) 1_554 1_554 ? C114 N5 C113 116.8(6) . . ? C114 N5 Ag19 119.5(5) . . ? C113 N5 Ag19 122.6(4) . . ? C113 C112 C116 117.4(6) . . ? C113 C112 C117 123.4(6) . . ? C116 C112 C117 119.2(6) . . ? N5 C113 C112 124.4(6) . . ? N5 C114 C115 123.2(7) . . ? C114 C115 C116 118.2(7) . . ? C112 C116 C115 119.9(7) . . ? O102 C117 N6 122.0(6) . . ? O102 C117 C112 119.8(6) . . ? N6 C117 C112 118.2(6) . . ? C123 O103 Ag9 142.7(5) . . ? C120 N7 C119 116.8(6) . . ? C120 N7 Ag21 119.8(4) . 2_565 ? C119 N7 Ag21 123.1(5) . 2_565 ? C119 C118 C122 117.8(6) . . ? C119 C118 C123 122.3(6) . . ? C122 C118 C123 119.9(6) . . ? N7 C119 C118 124.4(6) . . ? N7 C120 C121 122.9(7) . . ? C120 C121 C122 120.2(7) . . ? C121 C122 C118 117.8(7) . . ? O103 C123 N8 120.3(6) . . ? O103 C123 C118 121.1(6) . . ? N8 C123 C118 118.7(6) . . ? C129 O104 Ag7 143.9(5) . . ? C129 O104 Ag16 132.7(4) . . ? Ag7 O104 Ag16 79.40(14) . . ? C126 N9 C125 116.4(6) . . ? C126 N9 Ag23 120.5(5) . 1_556 ? C125 N9 Ag23 123.2(5) . 1_556 ? C128 C124 C125 118.3(6) . . ? C128 C124 C129 120.4(6) . . ? C125 C124 C129 121.3(6) . . ? N9 C125 C124 124.0(6) . . ? N9 C126 C127 123.6(7) . . ? C126 C127 C128 118.9(7) . . ? C124 C128 C127 118.8(7) . . ? O104 C129 N10 120.8(6) . . ? O104 C129 C124 120.5(6) . . ? N10 C129 C124 118.6(6) . . ? C135 O105 Ag11 146.6(4) . . ? C132 N11 C131 117.0(6) . . ? C132 N11 Ag24 121.6(4) . . ? C131 N11 Ag24 121.3(5) . . ? C131 C130 C134 117.7(6) . . ? C131 C130 C135 121.5(6) . . ? C134 C130 C135 120.9(6) . . ? N11 C131 C130 124.5(6) . . ? N11 C132 C133 122.5(6) . . ? C134 C133 C132 120.1(7) . . ? C133 C134 C130 118.3(6) . . ? O105 C135 N12 121.0(6) . . ? O105 C135 C130 121.1(6) . . ? N12 C135 C130 117.9(6) . . ? C141 O106 Ag1 145.0(5) . . ? C141 O106 Ag15 133.5(4) . . ? Ag1 O106 Ag15 80.27(14) . . ? C138 N13 C137 118.3(6) . . ? C138 N13 Ag8 120.4(4) . 4_455 ? C137 N13 Ag8 120.6(4) . 4_455 ? C140 C136 C137 119.4(6) . . ? C140 C136 C141 118.8(6) . . ? C137 C136 C141 121.8(6) . . ? N13 C137 C136 121.6(6) . . ? N13 C138 C139 122.4(7) . . ? C140 C139 C138 119.5(7) . . ? C136 C140 C139 118.6(7) . . ? O106 C141 N14 122.0(6) . . ? O106 C141 C136 120.0(6) . . ? N14 C141 C136 117.9(6) . . ? C147 O107 Ag2 140.3(4) . . ? C147 O107 Ag19 136.0(4) . . ? Ag2 O107 Ag19 80.85(13) . . ? C144 N15 C143 118.3(6) . . ? C144 N15 Ag13 119.1(5) . 4_453 ? C143 N15 Ag13 120.9(4) . 4_453 ? C143 C142 C146 117.3(6) . . ? C143 C142 C147 123.3(6) . . ? C146 C142 C147 119.4(6) . . ? N15 C143 C142 122.9(6) . . ? N15 C144 C145 122.7(7) . . ? C146 C145 C144 119.0(7) . . ? C145 C146 C142 119.6(7) . . ? O107 C147 N16 121.9(6) . . ? O107 C147 C142 120.4(6) . . ? N16 C147 C142 117.7(6) . . ? C153 O108 Ag3 147.7(4) . . ? C153 O108 Ag14 133.0(4) . . ? Ag3 O108 Ag14 79.20(13) . . ? C150 N17 C149 117.3(6) . . ? C150 N17 Ag5 120.2(4) . 4_454 ? C149 N17 Ag5 121.6(4) . 4_454 ? C152 C148 C149 118.6(6) . . ? C152 C148 C153 118.3(6) . . ? C149 C148 C153 123.0(6) . . ? N17 C149 C148 123.4(6) . . ? N17 C150 C151 123.6(7) . . ? C150 C151 C152 118.8(7) . . ? C148 C152 C151 118.3(7) . . ? O108 C153 N18 121.6(6) . . ? O108 C153 C148 120.6(6) . . ? N18 C153 C148 117.8(6) . . ? C159 O109 Ag22 148.2(5) . . ? C159 O109 Ag21 133.4(4) . . ? Ag22 O109 Ag21 73.13(12) . . ? C156 N19 C155 117.7(6) . . ? C156 N19 Ag16 120.0(4) . 4_553 ? C155 N19 Ag16 122.3(4) . 4_553 ? C158 C154 C155 116.9(6) . . ? C158 C154 C159 120.8(6) . . ? C155 C154 C159 122.3(6) . . ? N19 C155 C154 124.2(6) . . ? N19 C156 C157 122.1(7) . . ? C158 C157 C156 119.2(7) . . ? C157 C158 C154 120.0(6) . . ? O109 C159 N20 121.7(6) . . ? O109 C159 C154 119.3(6) . . ? N20 C159 C154 119.0(6) . . ? C171 O111 Ag13 134.7(5) . . ? C171 O111 Ag12 152.1(5) . . ? Ag13 O111 Ag12 72.94(13) . . ? C168 N23 C167 117.1(6) . . ? C168 N23 Ag15 120.7(5) . 2 ? C167 N23 Ag15 121.8(4) . 2 ? C167 C166 C170 117.2(6) . . ? C167 C166 C171 124.1(6) . . ? C170 C166 C171 118.6(6) . . ? N23 C167 C166 123.7(6) . . ? N23 C168 C169 123.3(7) . . ? C170 C169 C168 118.7(7) . . ? C169 C170 C166 119.9(7) . . ? O111 C171 N24 121.6(6) . . ? O111 C171 C166 120.8(6) . . ? N24 C171 C166 117.6(6) . . ? C165 O110 Ag8 133.2(4) . . ? C165 O110 Ag4 147.3(5) . . ? Ag8 O110 Ag4 78.01(14) . . ? C162 N21 C161 116.6(6) . . ? C162 N21 Ag14 118.2(4) . . ? C161 N21 Ag14 123.1(4) . . ? C161 C160 C164 118.4(6) . . ? C161 C160 C165 123.2(6) . . ? C164 C160 C165 118.3(6) . . ? N21 C161 C160 123.7(6) . . ? N21 C162 C163 123.9(6) . . ? C162 C163 C164 118.5(7) . . ? C160 C164 C163 118.8(7) . . ? O110 C165 N22 121.5(6) . . ? O110 C165 C160 119.5(6) . . ? N22 C165 C160 119.0(6) . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.657 _refine_diff_density_min -1.006 _refine_diff_density_rms 0.133 data_compound_4 _database_code_depnum_ccdc_archive 'CCDC 237534' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C26 H8 Ag8 F18 N4 O12' _chemical_formula_weight 1773.32 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 25.8682(17) _cell_length_b 27.0056(18) _cell_length_c 13.9584(9) _cell_angle_alpha 90.00 _cell_angle_beta 120.9230(10) _cell_angle_gamma 90.00 _cell_volume 8365.1(10) _cell_formula_units_Z 8 _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 0.66 _exptl_crystal_size_mid 0.42 _exptl_crystal_size_min 0.34 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.816 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 6608 _exptl_absorpt_coefficient_mu 3.804 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details 'empirical absorption' _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 7545 _diffrn_reflns_av_R_equivalents 0.0474 _diffrn_reflns_av_sigmaI/netI 0.0811 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 30 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 32 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 2.27 _diffrn_reflns_theta_max 25.02 _reflns_number_total 7373 _reflns_number_gt 4477 _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^)+(0.0926P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7373 _refine_ls_number_parameters 703 _refine_ls_number_restraints 138 _refine_ls_R_factor_all 0.1158 _refine_ls_R_factor_gt 0.0546 _refine_ls_wR_factor_ref 0.1740 _refine_ls_wR_factor_gt 0.1473 _refine_ls_goodness_of_fit_ref 1.010 _refine_ls_restrained_S_all 1.009 _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 0.15888(5) 0.17584(4) 0.32411(7) 0.0593(3) Uani 1 1 d . . . Ag2 Ag 0.05394(6) 0.23980(4) 0.19029(8) 0.0783(4) Uani 1 1 d . . . Ag3 Ag 0.06186(5) 0.31438(4) 0.37194(8) 0.0612(3) Uani 1 1 d . . . Ag4 Ag 0.18457(5) 0.30442(3) 0.56335(8) 0.0562(3) Uani 1 1 d . . . Ag5 Ag 0.11037(7) 0.19206(4) 0.48003(10) 0.0814(4) Uani 1 1 d . . . Ag6 Ag 0.24175(5) 0.21065(4) 0.56444(8) 0.0619(3) Uani 1 1 d . . . Ag7 Ag 0.12388(5) 0.33233(4) 0.24551(9) 0.0727(4) Uani 1 1 d . . . Ag8 Ag 0.22533(5) -0.10915(4) 0.68666(8) 0.0596(3) Uani 1 1 d . . . C1 C 0.1278(6) 0.2701(5) 0.3473(10) 0.057(3) Uani 1 1 d . . . C2 C 0.1629(6) 0.2461(5) 0.4264(9) 0.058(3) Uani 1 1 d . . . N1 N 0.1369(5) 0.1363(4) 0.6199(8) 0.060(3) Uani 1 1 d . . . N2 N 0.1858(6) -0.0348(5) 0.6835(11) 0.081(4) Uani 1 1 d . . . C3 C 0.1471(6) 0.0884(5) 0.6135(11) 0.059(3) Uani 1 1 d . . . H3A H 0.1452 0.0767 0.5492 0.071 Uiso 1 1 calc R . . C4 C 0.1604(6) 0.0555(4) 0.6996(10) 0.060(3) Uani 1 1 d . . . C5 C 0.1633(8) 0.0723(5) 0.7952(12) 0.085(5) Uani 1 1 d . . . H5A H 0.1721 0.0506 0.8535 0.102 Uiso 1 1 calc R . . C6 C 0.1528(9) 0.1219(6) 0.8033(13) 0.096(6) Uani 1 1 d . . . H6A H 0.1544 0.1342 0.8670 0.115 Uiso 1 1 calc R . . C7 C 0.1399(8) 0.1531(5) 0.7142(11) 0.082(5) Uani 1 1 d . . . H7A H 0.1331 0.1865 0.7196 0.099 Uiso 1 1 calc R . . C8 C 0.1744(7) 0.0050(5) 0.6922(12) 0.068(4) Uani 1 1 d . . . N3 N 0.3825(5) -0.1247(3) 0.3940(8) 0.052(3) Uani 1 1 d . . . N4 N 0.2688(6) -0.1083(5) 0.5743(10) 0.078(4) Uani 1 1 d . . . C9 C 0.3401(6) -0.1253(4) 0.4200(10) 0.054(3) Uani 1 1 d . . . H9A H 0.3037 -0.1410 0.3723 0.065 Uiso 1 1 calc R . . C10 C 0.3486(6) -0.1033(4) 0.5170(10) 0.051(3) Uani 1 1 d . . . C11 C 0.4031(6) -0.0816(5) 0.5889(9) 0.058(3) Uani 1 1 d . . . H11A H 0.4100 -0.0673 0.6551 0.069 Uiso 1 1 calc R . . C12 C 0.4473(6) -0.0811(5) 0.5624(10) 0.063(4) Uani 1 1 d . . . H12A H 0.4841 -0.0658 0.6086 0.076 Uiso 1 1 calc R . . C13 C 0.4350(6) -0.1043(4) 0.4647(10) 0.053(3) Uani 1 1 d . . . H13A H 0.4654 -0.1055 0.4478 0.063 Uiso 1 1 calc R . . C14 C 0.3025(7) -0.1062(5) 0.5471(11) 0.062(3) Uani 1 1 d . . . O3 O 0.1786(5) 0.3799(3) 0.6268(7) 0.068(3) Uani 1 1 d . . . O4 O 0.0841(4) 0.3842(3) 0.4941(8) 0.074(3) Uani 1 1 d . . . C17 C 0.1302(6) 0.3994(4) 0.5770(10) 0.046(3) Uani 1 1 d . . . C18 C 0.1239(7) 0.4482(5) 0.6245(10) 0.059(3) Uani 1 1 d . . . F21 F 0.0739(7) 0.4715(4) 0.5589(10) 0.178(7) Uani 1 1 d . . . F22 F 0.1628(7) 0.4789(4) 0.6415(16) 0.187(8) Uani 1 1 d . . . F23 F 0.1239(9) 0.4444(4) 0.7135(11) 0.191(8) Uani 1 1 d . . . O5 O 0.0269(5) 0.1811(4) 0.0585(8) 0.083(3) Uani 1 1 d . . . O6 O 0.1168(5) 0.1435(4) 0.1482(8) 0.077(3) Uani 1 1 d . . . C19 C 0.0658(7) 0.1511(5) 0.0694(11) 0.070(4) Uani 1 1 d . . . C20 C 0.0443(14) 0.1174(10) -0.0330(18) 0.132(9) Uani 1 1 d . . . F31 F 0.0115(12) 0.0859(9) -0.044(2) 0.33(2) Uani 1 1 d . . . F32 F 0.0210(11) 0.1427(7) -0.1226(10) 0.264(14) Uani 1 1 d . . . F33 F 0.0898(6) 0.0987(6) -0.0383(10) 0.161(6) Uani 1 1 d . . . O7 O 0.0986(5) 0.2572(3) 0.5921(8) 0.072(3) Uani 1 1 d . . . O8 O 0.0105(4) 0.2913(3) 0.4676(7) 0.069(2) Uani 1 1 d . . . C21 C 0.0510(7) 0.2771(4) 0.5625(10) 0.055(3) Uani 1 1 d . . . C22 C 0.0400(10) 0.2867(7) 0.6565(15) 0.091(5) Uani 1 1 d . . . F41 F 0.0640(8) 0.3285(6) 0.7062(12) 0.189(7) Uani 1 1 d . . . F42 F 0.0590(7) 0.2536(5) 0.7318(10) 0.176(7) Uani 1 1 d . . . F43 F -0.0148(7) 0.2967(6) 0.6250(11) 0.152(5) Uani 1 1 d . . . O9 O 0.2102(5) 0.1056(4) 0.4159(8) 0.098(4) Uani 1 1 d . . . O10 O 0.2747(5) 0.1306(3) 0.5887(8) 0.082(3) Uani 1 1 d . . . C23 C 0.2501(6) 0.1001(5) 0.5145(11) 0.053(3) Uani 1 1 d . A . C24 C 0.2705(6) 0.0464(5) 0.5479(10) 0.075(4) Uani 1 1 d D . . F51 F 0.2297(15) 0.0196(8) 0.543(4) 0.18(2) Uani 0.50 1 d PD A 1 F52 F 0.2827(15) 0.0273(8) 0.479(2) 0.119(11) Uani 0.50 1 d PD A 1 F53 F 0.3161(15) 0.0404(13) 0.642(2) 0.20(3) Uani 0.50 1 d PD A 1 F51' F 0.2325(17) 0.0153(12) 0.486(3) 0.33(5) Uani 0.50 1 d PD A 2 F52' F 0.3195(14) 0.0351(15) 0.556(3) 0.18(2) Uani 0.50 1 d PD A 2 F53' F 0.2796(14) 0.0378(10) 0.6447(16) 0.099(9) Uani 0.50 1 d PD A 2 O11 O 0.0174(9) 0.3727(6) 0.2256(14) 0.058(4) Uani 0.50 1 d PDU . . O12 O -0.0520(9) 0.4062(8) 0.2540(15) 0.076(6) Uani 0.50 1 d PDU . . C25 C -0.0079(11) 0.4063(7) 0.244(2) 0.049(5) Uani 0.50 1 d PDU . . C26 C 0.0167(11) 0.4551(10) 0.2479(17) 0.103(11) Uani 0.50 1 d PDU . . F61 F -0.0123(14) 0.4937(8) 0.261(3) 0.157(12) Uani 0.50 1 d PDU . . F62 F 0.0181(11) 0.4684(7) 0.1565(15) 0.124(8) Uani 0.50 1 d PDU . . F63 F 0.0738(11) 0.4632(8) 0.3308(18) 0.194(14) Uani 0.50 1 d PDU . . O13 O 0.0217(9) 0.1758(7) 0.2847(16) 0.073(6) Uani 0.50 1 d PDU . . O14 O -0.0579(11) 0.1351(9) 0.1585(19) 0.096(7) Uani 0.50 1 d PDU . . C27 C -0.0064(12) 0.1383(9) 0.238(2) 0.084(7) Uani 0.50 1 d PDU . . C28 C 0.0066(16) 0.0836(12) 0.252(3) 0.170(12) Uani 0.50 1 d PDU . . F71 F -0.0042(17) 0.0707(9) 0.150(2) 0.189(12) Uani 0.50 1 d PDU . . F72 F -0.008(2) 0.0424(12) 0.286(3) 0.25(2) Uani 0.50 1 d PDU . . F73 F 0.0672(14) 0.0839(11) 0.315(3) 0.202(13) Uani 0.50 1 d PDU . . O1 O 0.2645(4) 0.2997(3) 0.7528(7) 0.065(2) Uani 1 1 d . . . O2 O 0.2713(4) 0.2172(3) 0.7532(7) 0.064(2) Uani 1 1 d . . . C15 C 0.2787(6) 0.2586(5) 0.7976(9) 0.056(3) Uani 1 1 d . . . C16 C 0.3120(9) 0.2589(5) 0.9275(12) 0.078(5) Uani 1 1 d . . . F11 F 0.3681(6) 0.2456(5) 0.9648(8) 0.131(4) Uani 1 1 d . . . F12 F 0.3117(6) 0.3002(4) 0.9694(7) 0.132(5) Uani 1 1 d . . . F13 F 0.2904(6) 0.2234(4) 0.9634(8) 0.128(4) 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 0.0795(7) 0.0559(6) 0.0429(5) -0.0037(4) 0.0319(5) 0.0117(5) Ag2 0.0830(8) 0.0697(7) 0.0548(6) -0.0121(5) 0.0158(6) 0.0146(6) Ag3 0.0807(7) 0.0606(6) 0.0514(5) 0.0039(4) 0.0405(5) 0.0190(5) Ag4 0.0655(7) 0.0442(5) 0.0548(5) -0.0088(4) 0.0280(5) 0.0087(5) Ag5 0.1335(11) 0.0617(7) 0.0810(8) 0.0128(6) 0.0780(8) 0.0066(7) Ag6 0.0807(8) 0.0486(6) 0.0497(5) 0.0076(4) 0.0287(5) 0.0193(5) Ag7 0.0776(8) 0.0825(8) 0.0566(6) 0.0348(5) 0.0335(6) 0.0013(6) Ag8 0.0743(7) 0.0490(5) 0.0636(6) 0.0068(4) 0.0413(5) 0.0046(5) C1 0.059(8) 0.056(8) 0.060(8) -0.002(6) 0.033(7) -0.006(7) C2 0.082(9) 0.055(7) 0.036(6) 0.020(6) 0.030(6) 0.014(7) N1 0.077(8) 0.058(7) 0.051(6) 0.017(5) 0.037(6) 0.017(6) N2 0.090(10) 0.062(8) 0.101(9) 0.009(7) 0.056(8) 0.006(7) C3 0.071(9) 0.050(8) 0.069(8) 0.000(6) 0.044(7) 0.000(7) C4 0.065(9) 0.044(7) 0.060(8) 0.000(6) 0.023(7) 0.000(6) C5 0.124(14) 0.057(9) 0.072(9) 0.025(7) 0.049(10) 0.035(9) C6 0.166(18) 0.069(10) 0.077(10) 0.032(8) 0.079(12) 0.053(11) C7 0.118(14) 0.054(8) 0.066(9) -0.013(7) 0.041(9) 0.027(9) C8 0.089(11) 0.049(8) 0.075(9) 0.012(7) 0.047(8) 0.016(8) N3 0.068(7) 0.047(6) 0.048(5) -0.015(4) 0.036(5) -0.016(5) N4 0.082(9) 0.094(9) 0.076(8) -0.021(7) 0.054(7) -0.025(7) C9 0.070(9) 0.055(7) 0.054(7) -0.012(6) 0.043(7) -0.011(6) C10 0.075(9) 0.034(6) 0.068(8) 0.001(5) 0.053(7) -0.001(6) C11 0.067(9) 0.064(8) 0.042(6) -0.023(6) 0.028(6) -0.018(7) C12 0.061(9) 0.066(9) 0.059(7) -0.026(7) 0.029(7) -0.026(7) C13 0.062(8) 0.049(7) 0.066(8) -0.013(6) 0.048(7) -0.007(6) C14 0.078(10) 0.059(8) 0.058(8) 0.004(6) 0.042(8) -0.001(7) O3 0.081(7) 0.053(5) 0.058(5) -0.010(4) 0.027(5) 0.019(5) O4 0.078(7) 0.058(6) 0.062(6) -0.023(5) 0.019(5) 0.005(5) C17 0.072(9) 0.025(5) 0.054(7) 0.001(5) 0.041(7) 0.008(6) C18 0.087(10) 0.040(7) 0.051(7) -0.006(6) 0.035(7) 0.007(7) F21 0.200(14) 0.109(9) 0.134(10) -0.044(7) 0.021(10) 0.086(10) F22 0.214(15) 0.080(7) 0.38(2) -0.124(11) 0.236(17) -0.072(9) F23 0.44(2) 0.083(7) 0.150(10) 0.015(7) 0.220(15) 0.065(11) O5 0.089(8) 0.080(7) 0.065(6) -0.016(5) 0.029(6) 0.011(6) O6 0.082(7) 0.089(7) 0.055(6) -0.025(5) 0.032(6) -0.002(6) C19 0.079(11) 0.067(9) 0.049(8) -0.008(7) 0.023(8) 0.008(8) C20 0.19(3) 0.112(18) 0.084(15) -0.031(13) 0.068(17) 0.022(18) F31 0.41(4) 0.34(3) 0.35(3) -0.30(3) 0.28(3) -0.27(3) F32 0.38(3) 0.25(2) 0.054(7) -0.012(10) 0.040(11) 0.16(2) F33 0.149(11) 0.225(16) 0.107(9) -0.087(10) 0.064(8) 0.015(11) O7 0.090(7) 0.063(6) 0.076(6) 0.012(5) 0.052(6) 0.024(6) O8 0.086(7) 0.059(6) 0.066(6) -0.002(5) 0.042(5) -0.015(5) C21 0.077(10) 0.043(7) 0.044(7) 0.010(5) 0.032(7) 0.004(7) C22 0.132(16) 0.097(13) 0.085(11) 0.015(10) 0.086(12) 0.033(12) F41 0.28(2) 0.172(14) 0.156(12) -0.096(11) 0.143(14) -0.040(13) F42 0.288(17) 0.191(13) 0.146(10) 0.098(10) 0.181(12) 0.128(13) F43 0.166(12) 0.216(15) 0.141(10) 0.038(10) 0.127(10) 0.052(12) O9 0.119(9) 0.077(7) 0.060(6) -0.005(5) 0.018(6) 0.045(7) O10 0.079(7) 0.054(6) 0.065(6) -0.003(5) 0.003(5) 0.018(5) C23 0.059(8) 0.050(7) 0.056(8) 0.007(6) 0.034(7) 0.003(6) C24 0.101(14) 0.054(9) 0.079(11) 0.013(8) 0.052(10) 0.020(9) F51 0.24(5) 0.048(15) 0.40(7) 0.03(3) 0.28(5) 0.00(2) F52 0.19(3) 0.072(16) 0.13(2) 0.041(17) 0.11(3) 0.08(2) F53 0.17(4) 0.09(2) 0.18(4) 0.03(2) -0.04(3) 0.03(3) F51' 0.35(7) 0.060(18) 0.19(4) -0.03(2) -0.14(4) -0.04(3) F52' 0.21(4) 0.19(4) 0.21(4) 0.17(4) 0.16(4) 0.16(3) F53' 0.11(2) 0.069(15) 0.12(2) 0.065(15) 0.060(18) 0.032(17) O11 0.084(14) 0.045(9) 0.056(10) -0.004(8) 0.044(9) 0.010(9) O12 0.100(16) 0.068(13) 0.062(11) -0.018(10) 0.043(11) -0.021(12) C25 0.054(15) 0.068(12) 0.030(9) 0.016(16) 0.026(10) 0.014(15) C26 0.16(2) 0.054(13) 0.102(15) -0.004(15) 0.073(16) -0.031(15) F61 0.19(3) 0.074(12) 0.25(3) -0.02(2) 0.15(2) -0.018(17) F62 0.23(2) 0.070(12) 0.107(13) -0.009(10) 0.113(15) -0.055(14) F63 0.18(2) 0.104(16) 0.17(2) 0.021(15) -0.008(18) -0.096(17) O13 0.083(17) 0.061(11) 0.073(15) -0.011(9) 0.038(11) -0.021(10) O14 0.094(17) 0.100(17) 0.095(16) 0.027(14) 0.048(13) 0.008(15) C27 0.111(17) 0.088(15) 0.088(16) 0.01(2) 0.076(13) 0.01(2) C28 0.20(2) 0.14(2) 0.22(2) 0.00(2) 0.14(2) 0.00(2) F71 0.28(3) 0.096(18) 0.25(3) -0.10(2) 0.18(2) -0.04(2) F72 0.27(3) 0.16(3) 0.29(4) 0.03(3) 0.13(3) -0.01(3) F73 0.18(3) 0.15(2) 0.24(3) 0.01(2) 0.08(2) 0.05(2) O1 0.091(7) 0.049(5) 0.058(5) 0.010(4) 0.040(5) 0.014(5) O2 0.088(7) 0.057(6) 0.052(5) 0.012(4) 0.040(5) 0.020(5) C15 0.073(9) 0.057(8) 0.047(6) 0.016(6) 0.037(6) 0.022(7) C16 0.132(15) 0.058(9) 0.064(9) 0.007(7) 0.064(10) 0.031(9) F11 0.121(9) 0.156(11) 0.077(6) -0.002(7) 0.023(6) 0.039(8) F12 0.247(14) 0.074(6) 0.069(6) 0.000(5) 0.076(8) 0.046(8) F13 0.246(14) 0.088(7) 0.097(7) 0.016(5) 0.122(9) 0.014(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 O6 2.288(9) . ? Ag1 O9 2.291(10) . ? Ag1 C2 2.345(12) . ? Ag1 Ag2 2.9378(15) . ? Ag1 Ag5 3.0514(14) . ? Ag1 Ag6 3.0563(13) . ? Ag2 C1 2.195(13) . ? Ag2 O5 2.250(9) . ? Ag2 O8 2.408(9) 2 ? Ag2 O13 2.56(2) . ? Ag2 Ag7 2.9457(17) . ? Ag2 Ag3 3.1613(14) . ? Ag2 Ag3 3.3330(16) 2 ? Ag3 C1 2.248(13) . ? Ag3 O11 2.359(16) . ? Ag3 O11 2.38(2) 2 ? Ag3 O8 2.399(9) . ? Ag3 O4 2.406(8) . ? Ag3 Ag4 2.9276(15) . ? Ag3 Ag7 2.9721(14) . ? Ag3 Ag3 3.261(2) 2 ? Ag3 Ag2 3.3330(16) 2 ? Ag4 O3 2.258(8) . ? Ag4 C2 2.312(12) . ? Ag4 O1 2.380(9) . ? Ag4 Ag6 2.9286(13) . ? Ag4 Ag6 3.2365(14) 7_556 ? Ag5 N1 2.275(9) . ? Ag5 O14 2.29(2) 2 ? Ag5 C2 2.362(12) . ? Ag5 O7 2.474(9) . ? Ag5 O13 2.542(18) . ? Ag5 Ag6 3.0125(19) . ? Ag6 C2 2.180(12) . ? Ag6 O10 2.285(9) . ? Ag6 O2 2.342(8) . ? Ag6 C2 2.673(13) 7_556 ? Ag6 Ag6 2.954(2) 7_556 ? Ag6 Ag4 3.2364(14) 7_556 ? Ag6 Ag7 3.3153(15) 7_556 ? Ag7 C1 2.169(13) . ? Ag7 N3 2.199(9) 4 ? Ag7 Ag6 3.3153(15) 7_556 ? Ag8 N2 2.244(13) . ? Ag8 N4 2.352(12) . ? Ag8 O3 2.528(9) 4_546 ? Ag8 O1 2.571(9) 4_546 ? C1 C2 1.197(16) . ? C2 Ag6 2.673(13) 7_556 ? N1 C3 1.331(16) . ? N1 C7 1.357(15) . ? N2 C8 1.136(16) . ? C3 C4 1.389(17) . ? C4 C5 1.374(19) . ? C4 C8 1.429(18) . ? C5 C6 1.38(2) . ? C6 C7 1.393(19) . ? N3 C13 1.320(15) . ? N3 C9 1.322(15) . ? N3 Ag7 2.199(9) 4_545 ? N4 C14 1.117(17) . ? C9 C10 1.390(15) . ? C10 C11 1.373(17) . ? C10 C14 1.455(18) . ? C11 C12 1.369(18) . ? C12 C13 1.381(16) . ? O3 C17 1.199(14) . ? O3 Ag8 2.528(9) 4_556 ? O4 C17 1.230(15) . ? C17 C18 1.521(15) . ? C18 F22 1.230(16) . ? C18 F23 1.245(15) . ? C18 F21 1.299(16) . ? O5 C19 1.238(17) . ? O6 C19 1.225(16) . ? C19 C20 1.54(2) . ? C20 F31 1.16(3) . ? C20 F32 1.27(3) . ? C20 F33 1.32(3) . ? O7 C21 1.206(15) . ? O8 C21 1.253(15) . ? O8 Ag2 2.408(9) 2 ? C21 C22 1.501(18) . ? C22 F42 1.271(18) . ? C22 F43 1.28(2) . ? C22 F41 1.30(2) . ? O9 C23 1.234(15) . ? O10 C23 1.216(15) . ? C23 C24 1.530(18) . ? C24 F53 1.244(16) . ? C24 F51' 1.246(16) . ? C24 F52' 1.252(16) . ? C24 F51 1.252(16) . ? C24 F52 1.267(15) . ? C24 F53' 1.269(15) . ? O11 C25 1.08(3) 2 ? O11 O12 1.20(2) 2 ? O11 C25 1.218(10) . ? O11 O11 1.38(3) 2 ? O11 Ag3 2.38(2) 2 ? O12 O11 1.20(2) 2 ? O12 C25 1.222(10) . ? O12 C25 1.53(4) 2 ? O12 C26 1.61(3) 2 ? C25 C25 0.35(5) 2 ? C25 O11 1.08(3) 2 ? C25 C26 1.35(3) 2 ? C25 C26 1.45(3) . ? C25 O12 1.53(4) 2 ? C26 C26 0.90(4) 2 ? C26 F61 1.05(3) 2 ? C26 F62 1.343(18) . ? C26 F63 1.344(19) . ? C26 F61 1.351(18) . ? C26 C25 1.35(3) 2 ? C26 O12 1.61(3) 2 ? F61 F61 0.84(4) 2 ? F61 C26 1.05(3) 2 ? F61 F62 1.41(4) 2 ? F61 F63 1.66(5) 2 ? F62 F61 1.41(4) 2 ? F63 F61 1.66(5) 2 ? O13 O13 1.04(4) 2 ? O13 C27 1.07(3) 2 ? O13 C27 1.221(10) . ? O13 O14 1.40(3) 2 ? O14 C27 1.223(10) . ? O14 O13 1.40(3) 2 ? O14 F73 1.48(4) 2 ? O14 C27 1.55(5) 2 ? O14 C28 1.89(4) 2 ? O14 Ag5 2.29(2) 2 ? C27 C27 0.33(5) 2 ? C27 O13 1.07(3) 2 ? C27 C28 1.49(4) 2 ? C27 C28 1.51(4) . ? C27 O14 1.55(5) 2 ? C28 C28 0.32(7) 2 ? C28 F72 1.24(4) 2 ? C28 F72 1.34(2) . ? C28 F73 1.35(2) . ? C28 F71 1.35(2) . ? C28 F71 1.46(5) 2 ? C28 C27 1.49(4) 2 ? C28 F73 1.64(6) 2 ? C28 O14 1.89(4) 2 ? F71 F72 1.10(5) 2 ? F71 C28 1.46(5) 2 ? F72 F71 1.10(5) 2 ? F72 C28 1.24(4) 2 ? F72 F72 1.28(7) 2 ? F73 O14 1.48(4) 2 ? F73 C28 1.64(6) 2 ? O1 C15 1.234(14) . ? O1 Ag8 2.571(9) 4_556 ? O2 C15 1.246(15) . ? C15 C16 1.557(17) . ? C16 F12 1.262(15) . ? C16 F11 1.315(19) . ? C16 F13 1.329(19) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O6 Ag1 O9 95.9(4) . . ? O6 Ag1 C2 144.2(4) . . ? O9 Ag1 C2 119.9(4) . . ? O6 Ag1 Ag2 76.6(3) . . ? O9 Ag1 Ag2 157.3(3) . . ? C2 Ag1 Ag2 69.4(3) . . ? O6 Ag1 Ag5 132.7(3) . . ? O9 Ag1 Ag5 93.0(3) . . ? C2 Ag1 Ag5 49.8(3) . . ? Ag2 Ag1 Ag5 77.57(4) . . ? O6 Ag1 Ag6 167.0(3) . . ? O9 Ag1 Ag6 76.3(3) . . ? C2 Ag1 Ag6 45.3(3) . . ? Ag2 Ag1 Ag6 114.50(4) . . ? Ag5 Ag1 Ag6 59.10(4) . . ? C1 Ag2 O5 145.5(4) . . ? C1 Ag2 O8 122.4(4) . 2 ? O5 Ag2 O8 83.1(3) . 2 ? C1 Ag2 O13 94.8(5) . . ? O5 Ag2 O13 84.2(5) . . ? O8 Ag2 O13 127.3(5) 2 . ? C1 Ag2 Ag1 62.6(3) . . ? O5 Ag2 Ag1 84.4(3) . . ? O8 Ag2 Ag1 154.3(2) 2 . ? O13 Ag2 Ag1 73.4(5) . . ? C1 Ag2 Ag7 47.2(3) . . ? O5 Ag2 Ag7 134.6(3) . . ? O8 Ag2 Ag7 78.1(2) 2 . ? O13 Ag2 Ag7 139.2(4) . . ? Ag1 Ag2 Ag7 95.15(5) . . ? C1 Ag2 Ag3 45.3(3) . . ? O5 Ag2 Ag3 165.8(3) . . ? O8 Ag2 Ag3 95.5(2) 2 . ? O13 Ag2 Ag3 85.5(5) . . ? Ag1 Ag2 Ag3 101.93(4) . . ? Ag7 Ag2 Ag3 58.12(4) . . ? C1 Ag2 Ag3 103.8(3) . 2 ? O5 Ag2 Ag3 110.7(3) . 2 ? O8 Ag2 Ag3 46.0(2) 2 2 ? O13 Ag2 Ag3 93.2(5) . 2 ? Ag1 Ag2 Ag3 159.07(5) . 2 ? Ag7 Ag2 Ag3 84.52(4) . 2 ? Ag3 Ag2 Ag3 60.21(4) . 2 ? C1 Ag3 O11 107.1(5) . . ? C1 Ag3 O11 139.6(5) . 2 ? O11 Ag3 O11 33.8(8) . 2 ? C1 Ag3 O8 128.8(4) . . ? O11 Ag3 O8 119.5(5) . . ? O11 Ag3 O8 86.0(5) 2 . ? C1 Ag3 O4 127.0(4) . . ? O11 Ag3 O4 85.6(5) . . ? O11 Ag3 O4 73.0(4) 2 . ? O8 Ag3 O4 78.9(3) . . ? C1 Ag3 Ag4 62.5(3) . . ? O11 Ag3 Ag4 132.0(5) . . ? O11 Ag3 Ag4 142.5(4) 2 . ? O8 Ag3 Ag4 96.8(2) . . ? O4 Ag3 Ag4 70.9(2) . . ? C1 Ag3 Ag7 46.6(3) . . ? O11 Ag3 Ag7 63.2(4) . . ? O11 Ag3 Ag7 97.0(4) 2 . ? O8 Ag3 Ag7 174.2(2) . . ? O4 Ag3 Ag7 106.7(3) . . ? Ag4 Ag3 Ag7 83.91(4) . . ? C1 Ag3 Ag2 44.0(3) . . ? O11 Ag3 Ag2 85.9(4) . . ? O11 Ag3 Ag2 106.3(4) 2 . ? O8 Ag3 Ag2 117.1(2) . . ? O4 Ag3 Ag2 164.0(3) . . ? Ag4 Ag3 Ag2 105.45(4) . . ? Ag7 Ag3 Ag2 57.31(4) . . ? C1 Ag3 Ag3 104.8(3) . 2 ? O11 Ag3 Ag3 46.8(5) . 2 ? O11 Ag3 Ag3 46.3(4) 2 2 ? O8 Ag3 Ag3 93.1(2) . 2 ? O4 Ag3 Ag3 119.3(2) . 2 ? Ag4 Ag3 Ag3 167.14(5) . 2 ? Ag7 Ag3 Ag3 85.40(4) . 2 ? Ag2 Ag3 Ag3 62.51(3) . 2 ? C1 Ag3 Ag2 106.8(3) . 2 ? O11 Ag3 Ag2 101.8(5) . 2 ? O11 Ag3 Ag2 81.8(4) 2 2 ? O8 Ag3 Ag2 46.2(2) . 2 ? O4 Ag3 Ag2 120.9(3) . 2 ? Ag4 Ag3 Ag2 126.17(4) . 2 ? Ag7 Ag3 Ag2 129.12(5) . 2 ? Ag2 Ag3 Ag2 74.15(5) . 2 ? Ag3 Ag3 Ag2 57.28(3) 2 2 ? O3 Ag4 C2 154.5(4) . . ? O3 Ag4 O1 78.9(3) . . ? C2 Ag4 O1 125.9(4) . . ? O3 Ag4 Ag3 90.8(2) . . ? C2 Ag4 Ag3 67.6(3) . . ? O1 Ag4 Ag3 159.1(2) . . ? O3 Ag4 Ag6 156.1(3) . . ? C2 Ag4 Ag6 47.4(3) . . ? O1 Ag4 Ag6 78.5(2) . . ? Ag3 Ag4 Ag6 113.08(4) . . ? O3 Ag4 Ag6 120.5(3) . 7_556 ? C2 Ag4 Ag6 54.6(3) . 7_556 ? O1 Ag4 Ag6 100.6(2) . 7_556 ? Ag3 Ag4 Ag6 100.26(4) . 7_556 ? Ag6 Ag4 Ag6 56.99(4) . 7_556 ? N1 Ag5 O14 93.8(7) . 2 ? N1 Ag5 C2 135.4(4) . . ? O14 Ag5 C2 109.6(7) 2 . ? N1 Ag5 O7 90.5(3) . . ? O14 Ag5 O7 143.0(7) 2 . ? C2 Ag5 O7 92.2(4) . . ? N1 Ag5 O13 121.0(5) . . ? O14 Ag5 O13 33.1(7) 2 . ? C2 Ag5 O13 96.6(5) . . ? O7 Ag5 O13 117.7(5) . . ? N1 Ag5 Ag6 89.6(3) . . ? O14 Ag5 Ag6 120.1(6) 2 . ? C2 Ag5 Ag6 45.9(3) . . ? O7 Ag5 Ag6 96.6(3) . . ? O13 Ag5 Ag6 131.5(5) . . ? N1 Ag5 Ag1 117.6(3) . . ? O14 Ag5 Ag1 65.4(6) 2 . ? C2 Ag5 Ag1 49.4(3) . . ? O7 Ag5 Ag1 141.5(2) . . ? O13 Ag5 Ag1 71.6(5) . . ? Ag6 Ag5 Ag1 60.53(4) . . ? C2 Ag6 O10 131.0(4) . . ? C2 Ag6 O2 125.3(4) . . ? O10 Ag6 O2 91.3(3) . . ? C2 Ag6 C2 105.8(4) . 7_556 ? O10 Ag6 C2 98.1(4) . 7_556 ? O2 Ag6 C2 98.8(3) . 7_556 ? C2 Ag6 Ag4 51.3(3) . . ? O10 Ag6 Ag4 165.5(3) . . ? O2 Ag6 Ag4 79.2(2) . . ? C2 Ag6 Ag4 94.2(3) 7_556 . ? C2 Ag6 Ag6 60.6(3) . 7_556 ? O10 Ag6 Ag6 127.7(3) . 7_556 ? O2 Ag6 Ag6 124.4(2) . 7_556 ? C2 Ag6 Ag6 45.3(2) 7_556 7_556 ? Ag4 Ag6 Ag6 66.76(4) . 7_556 ? C2 Ag6 Ag5 51.1(3) . . ? O10 Ag6 Ag5 99.2(3) . . ? O2 Ag6 Ag5 95.9(2) . . ? C2 Ag6 Ag5 156.9(2) 7_556 . ? Ag4 Ag6 Ag5 71.15(4) . . ? Ag6 Ag6 Ag5 111.65(5) 7_556 . ? C2 Ag6 Ag1 49.8(3) . . ? O10 Ag6 Ag1 82.5(2) . . ? O2 Ag6 Ag1 153.8(2) . . ? C2 Ag6 Ag1 107.2(2) 7_556 . ? Ag4 Ag6 Ag1 101.12(4) . . ? Ag6 Ag6 Ag1 78.01(4) 7_556 . ? Ag5 Ag6 Ag1 60.37(4) . . ? C2 Ag6 Ag4 96.7(3) . 7_556 ? O10 Ag6 Ag4 71.5(3) . 7_556 ? O2 Ag6 Ag4 133.2(2) . 7_556 ? C2 Ag6 Ag4 44.8(3) 7_556 7_556 ? Ag4 Ag6 Ag4 123.01(4) . 7_556 ? Ag6 Ag6 Ag4 56.25(4) 7_556 7_556 ? Ag5 Ag6 Ag4 128.98(4) . 7_556 ? Ag1 Ag6 Ag4 68.65(3) . 7_556 ? C2 Ag6 Ag7 168.9(3) . 7_556 ? O10 Ag6 Ag7 52.6(2) . 7_556 ? O2 Ag6 Ag7 61.6(2) . 7_556 ? C2 Ag6 Ag7 63.4(2) 7_556 7_556 ? Ag4 Ag6 Ag7 128.75(4) . 7_556 ? Ag6 Ag6 Ag7 108.60(6) 7_556 7_556 ? Ag5 Ag6 Ag7 139.72(4) . 7_556 ? Ag1 Ag6 Ag7 128.77(4) . 7_556 ? Ag4 Ag6 Ag7 74.02(3) 7_556 7_556 ? C1 Ag7 N3 161.1(4) . 4 ? C1 Ag7 Ag2 47.9(3) . . ? N3 Ag7 Ag2 117.4(3) 4 . ? C1 Ag7 Ag3 48.9(3) . . ? N3 Ag7 Ag3 142.5(3) 4 . ? Ag2 Ag7 Ag3 64.58(4) . . ? C1 Ag7 Ag6 61.8(3) . 7_556 ? N3 Ag7 Ag6 117.7(3) 4 7_556 ? Ag2 Ag7 Ag6 99.37(4) . 7_556 ? Ag3 Ag7 Ag6 97.57(4) . 7_556 ? N2 Ag8 N4 110.3(5) . . ? N2 Ag8 O3 108.8(4) . 4_546 ? N4 Ag8 O3 97.7(4) . 4_546 ? N2 Ag8 O1 146.3(4) . 4_546 ? N4 Ag8 O1 103.0(4) . 4_546 ? O3 Ag8 O1 70.6(3) 4_546 4_546 ? C2 C1 Ag7 141.4(11) . . ? C2 C1 Ag2 125.2(11) . . ? Ag7 C1 Ag2 84.9(4) . . ? C2 C1 Ag3 115.0(10) . . ? Ag7 C1 Ag3 84.6(5) . . ? Ag2 C1 Ag3 90.7(5) . . ? C1 C2 Ag6 167.1(12) . . ? C1 C2 Ag4 98.1(10) . . ? Ag6 C2 Ag4 81.3(4) . . ? C1 C2 Ag1 95.8(9) . . ? Ag6 C2 Ag1 84.9(4) . . ? Ag4 C2 Ag1 166.0(6) . . ? C1 C2 Ag5 109.9(11) . . ? Ag6 C2 Ag5 83.0(4) . . ? Ag4 C2 Ag5 95.4(4) . . ? Ag1 C2 Ag5 80.8(4) . . ? C1 C2 Ag6 93.0(9) . 7_556 ? Ag6 C2 Ag6 74.2(4) . 7_556 ? Ag4 C2 Ag6 80.6(4) . 7_556 ? Ag1 C2 Ag6 97.6(4) . 7_556 ? Ag5 C2 Ag6 157.2(5) . 7_556 ? C3 N1 C7 118.4(11) . . ? C3 N1 Ag5 124.6(8) . . ? C7 N1 Ag5 116.9(9) . . ? C8 N2 Ag8 169.8(14) . . ? N1 C3 C4 122.3(12) . . ? C5 C4 C3 119.6(12) . . ? C5 C4 C8 119.7(12) . . ? C3 C4 C8 120.6(12) . . ? C4 C5 C6 118.9(13) . . ? C5 C6 C7 118.7(13) . . ? N1 C7 C6 122.1(13) . . ? N2 C8 C4 177.8(16) . . ? C13 N3 C9 118.7(10) . . ? C13 N3 Ag7 117.6(8) . 4_545 ? C9 N3 Ag7 122.7(8) . 4_545 ? C14 N4 Ag8 161.9(12) . . ? N3 C9 C10 121.6(12) . . ? C11 C10 C9 118.8(11) . . ? C11 C10 C14 120.0(11) . . ? C9 C10 C14 121.0(12) . . ? C12 C11 C10 119.6(10) . . ? C11 C12 C13 117.5(12) . . ? N3 C13 C12 123.6(11) . . ? N4 C14 C10 177.4(16) . . ? C17 O3 Ag4 115.6(8) . . ? C17 O3 Ag8 136.6(8) . 4_556 ? Ag4 O3 Ag8 106.3(4) . 4_556 ? C17 O4 Ag3 133.7(8) . . ? O3 C17 O4 128.2(11) . . ? O3 C17 C18 116.3(12) . . ? O4 C17 C18 115.4(12) . . ? F22 C18 F23 106.4(15) . . ? F22 C18 F21 103.2(14) . . ? F23 C18 F21 103.6(15) . . ? F22 C18 C17 113.9(12) . . ? F23 C18 C17 114.8(11) . . ? F21 C18 C17 113.7(12) . . ? C19 O5 Ag2 118.0(9) . . ? C19 O6 Ag1 126.7(9) . . ? O6 C19 O5 130.8(13) . . ? O6 C19 C20 116.2(16) . . ? O5 C19 C20 113.0(16) . . ? F31 C20 F32 109(3) . . ? F31 C20 F33 109(3) . . ? F32 C20 F33 98(2) . . ? F31 C20 C19 116(2) . . ? F32 C20 C19 111(2) . . ? F33 C20 C19 112(2) . . ? C21 O7 Ag5 122.4(9) . . ? C21 O8 Ag3 105.5(9) . . ? C21 O8 Ag2 126.9(8) . 2 ? Ag3 O8 Ag2 87.8(3) . 2 ? O7 C21 O8 130.6(12) . . ? O7 C21 C22 113.3(12) . . ? O8 C21 C22 116.1(14) . . ? F42 C22 F43 108.7(17) . . ? F42 C22 F41 107.1(18) . . ? F43 C22 F41 98.1(16) . . ? F42 C22 C21 115.8(14) . . ? F43 C22 C21 114.2(16) . . ? F41 C22 C21 111.3(15) . . ? C23 O9 Ag1 129.5(9) . . ? C23 O10 Ag6 121.5(8) . . ? O10 C23 O9 129.8(12) . . ? O10 C23 C24 115.7(11) . . ? O9 C23 C24 114.5(11) . . ? F53 C24 F51' 129(3) . . ? F53 C24 F52' 60.5(16) . . ? F51' C24 F52' 107.3(15) . . ? F53 C24 F51 107.4(15) . . ? F51' C24 F51 39(2) . . ? F52' C24 F51 130(3) . . ? F53 C24 F52 106.0(15) . . ? F51' C24 F52 67(2) . . ? F52' C24 F52 48.0(17) . . ? F51 C24 F52 104.6(14) . . ? F53 C24 F53' 45.4(17) . . ? F51' C24 F53' 105.4(15) . . ? F52' C24 F53' 103.8(14) . . ? F51 C24 F53' 69.1(18) . . ? F52 C24 F53' 138.8(19) . . ? F53 C24 C23 115.9(19) . . ? F51' C24 C23 114(2) . . ? F52' C24 C23 115.6(18) . . ? F51 C24 C23 112.5(17) . . ? F52 C24 C23 109.7(14) . . ? F53' C24 C23 110.1(15) . . ? C25 O11 O12 64.5(11) 2 2 ? C25 O11 C25 16(2) 2 . ? O12 O11 C25 79(2) 2 . ? C25 O11 O11 57.8(14) 2 2 ? O12 O11 O11 118.7(16) 2 2 ? C25 O11 O11 48.8(15) . 2 ? C25 O11 Ag3 109.0(19) 2 . ? O12 O11 Ag3 109.0(14) 2 . ? C25 O11 Ag3 113.1(14) . . ? O11 O11 Ag3 74.0(10) 2 . ? C25 O11 Ag3 118.4(18) 2 2 ? O12 O11 Ag3 162.4(15) 2 2 ? C25 O11 Ag3 102.4(17) . 2 ? O11 O11 Ag3 72.2(11) 2 2 ? Ag3 O11 Ag3 86.9(6) . 2 ? O11 O12 C25 53.1(15) 2 . ? O11 O12 C25 51.2(14) 2 2 ? C25 O12 C25 7(2) . 2 ? O11 O12 C26 105.1(19) 2 2 ? C25 O12 C26 54.9(15) . 2 ? C25 O12 C26 54.9(13) 2 2 ? C25 C25 O11 104(4) 2 2 ? C25 C25 O11 60(4) 2 . ? O11 C25 O11 73(2) 2 . ? C25 C25 O12 149(8) 2 . ? O11 C25 O12 62.3(18) 2 . ? O11 C25 O12 131(3) . . ? C25 C25 C26 99(2) 2 2 ? O11 C25 C26 134(2) 2 2 ? O11 C25 C26 151(3) . 2 ? O12 C25 C26 77.4(16) . 2 ? C25 C25 C26 66.9(15) 2 . ? O11 C25 C26 158(3) 2 . ? O11 C25 C26 114(2) . . ? O12 C25 C26 114.5(19) . . ? C26 C25 C26 37.1(18) 2 . ? C25 C25 O12 24(6) 2 2 ? O11 C25 O12 115(2) 2 2 ? O11 C25 O12 50.0(13) . 2 ? O12 C25 O12 173(2) . 2 ? C26 C25 O12 102(2) 2 2 ? C26 C25 O12 65.4(16) . 2 ? C26 C26 F61 88(2) 2 2 ? C26 C26 F62 124(3) 2 . ? F61 C26 F62 71(3) 2 . ? C26 C26 F63 128(3) 2 . ? F61 C26 F63 87(3) 2 . ? F62 C26 F63 102.8(17) . . ? C26 C26 F61 50.8(14) 2 . ? F61 C26 F61 38(2) 2 . ? F62 C26 F61 102.2(17) . . ? F63 C26 F61 101.5(17) . . ? C26 C26 C25 77.4(13) 2 2 ? F61 C26 C25 165(3) 2 2 ? F62 C26 C25 116(2) . 2 ? F63 C26 C25 104(2) . 2 ? F61 C26 C25 127(2) . 2 ? C26 C26 C25 65.4(11) 2 . ? F61 C26 C25 151(3) 2 . ? F62 C26 C25 115.5(19) . . ? F63 C26 C25 116(2) . . ? F61 C26 C25 116.2(19) . . ? C25 C26 C25 13.8(18) 2 . ? C26 C26 O12 125.0(12) 2 2 ? F61 C26 O12 147(3) 2 2 ? F62 C26 O12 85.0(15) . 2 ? F63 C26 O12 76.6(16) . 2 ? F61 C26 O12 172.8(19) . 2 ? C25 C26 O12 47.6(10) 2 2 ? C25 C26 O12 59.7(16) . 2 ? F61 F61 C26 90.7(19) 2 2 ? F61 F61 C26 50.8(14) 2 . ? C26 F61 C26 42(3) 2 . ? F61 F61 F62 136(4) 2 2 ? C26 F61 F62 64.3(18) 2 2 ? C26 F61 F62 92.2(19) . 2 ? F61 F61 F63 109(4) 2 2 ? C26 F61 F63 54(2) 2 2 ? C26 F61 F63 83.8(17) . 2 ? F62 F61 F63 86.0(18) 2 2 ? C26 F62 F61 44.7(13) . 2 ? C26 F63 F61 39.1(15) . 2 ? O13 O13 C27 70.5(16) 2 2 ? O13 O13 C27 56.1(17) 2 . ? C27 O13 C27 15(2) 2 . ? O13 O13 O14 128.1(13) 2 2 ? C27 O13 O14 57.6(11) 2 2 ? C27 O13 O14 72(2) . 2 ? O13 O13 Ag5 161(3) 2 . ? C27 O13 Ag5 118.3(17) 2 . ? C27 O13 Ag5 132.5(18) . . ? O14 O13 Ag5 63.6(12) 2 . ? O13 O13 Ag2 90.1(19) 2 . ? C27 O13 Ag2 131(2) 2 . ? C27 O13 Ag2 123.3(16) . . ? O14 O13 Ag2 121.5(16) 2 . ? Ag5 O13 Ag2 94.7(6) . . ? C27 O14 O13 47.9(17) . 2 ? C27 O14 F73 95(2) . 2 ? O13 O14 F73 138(2) 2 2 ? C27 O14 C27 2(2) . 2 ? O13 O14 C27 48.7(13) 2 2 ? F73 O14 C27 93.1(18) 2 2 ? C27 O14 C28 51.8(17) . 2 ? O13 O14 C28 100(2) 2 2 ? F73 O14 C28 45.1(12) 2 2 ? C27 O14 C28 50.9(15) 2 2 ? C27 O14 Ag5 128(2) . 2 ? O13 O14 Ag5 83.4(14) 2 2 ? F73 O14 Ag5 137.3(19) 2 2 ? C27 O14 Ag5 129.6(19) 2 2 ? C28 O14 Ag5 164.9(17) 2 2 ? C27 C27 O13 109.2(17) 2 2 ? C27 C27 O13 56.2(19) 2 . ? O13 C27 O13 53(2) 2 . ? C27 C27 O14 171(10) 2 . ? O13 C27 O14 75(2) 2 . ? O13 C27 O14 128(3) . . ? C27 C27 C28 87.4(19) 2 2 ? O13 C27 C28 161(3) 2 2 ? O13 C27 C28 144(3) . 2 ? O14 C27 C28 88(2) . 2 ? C27 C27 C28 80.1(17) 2 . ? O13 C27 C28 171(3) 2 . ? O13 C27 C28 136(3) . . ? O14 C27 C28 97(2) . . ? C28 C27 C28 12(3) 2 . ? C27 C27 O14 7(8) 2 2 ? O13 C27 O14 113(2) 2 2 ? O13 C27 O14 59.2(15) . 2 ? O14 C27 O14 173(3) . 2 ? C28 C27 O14 85(2) 2 2 ? C28 C27 O14 76(2) . 2 ? C28 C28 F72 102(6) 2 2 ? C28 C28 F72 64(5) 2 . ? F72 C28 F72 59(4) 2 . ? C28 C28 F73 152(10) 2 . ? F72 C28 F73 90(4) 2 . ? F72 C28 F73 103(2) . . ? C28 C28 F71 103(10) 2 . ? F72 C28 F71 50(3) 2 . ? F72 C28 F71 103(2) . . ? F73 C28 F71 104(2) . . ? C28 C28 F71 64(10) 2 2 ? F72 C28 F71 102(3) 2 2 ? F72 C28 F71 46(2) . 2 ? F73 C28 F71 89(3) . 2 ? F71 C28 F71 149(3) . 2 ? C28 C28 C27 88(2) 2 2 ? F72 C28 C27 159(4) 2 2 ? F72 C28 C27 141(3) . 2 ? F73 C28 C27 89(2) . 2 ? F71 C28 C27 110(2) . 2 ? F71 C28 C27 98(3) 2 2 ? C28 C28 C27 80.1(18) 2 . ? F72 C28 C27 152(4) 2 . ? F72 C28 C27 140(3) . . ? F73 C28 C27 101(2) . . ? F71 C28 C27 102(2) . . ? F71 C28 C27 104(3) 2 . ? C27 C28 C27 12.5(19) 2 . ? C28 C28 F73 22(10) 2 2 ? F72 C28 F73 93(3) 2 2 ? F72 C28 F73 75(3) . 2 ? F73 C28 F73 175(3) . 2 ? F71 C28 F73 82(2) . 2 ? F71 C28 F73 86(3) 2 2 ? C27 C28 F73 89(3) 2 2 ? C27 C28 F73 79(2) . 2 ? C28 C28 O14 115(7) 2 2 ? F72 C28 O14 141(5) 2 2 ? F72 C28 O14 127.4(19) . 2 ? F73 C28 O14 51.3(18) . 2 ? F71 C28 O14 126(2) . 2 ? F71 C28 O14 84(2) 2 2 ? C27 C28 O14 40.4(10) 2 2 ? C27 C28 O14 52.7(19) . 2 ? F73 C28 O14 126(3) 2 2 ? F72 F71 C28 60(2) 2 . ? F72 F71 C28 62(3) 2 2 ? C28 F71 C28 12(3) . 2 ? F71 F72 C28 70.1(17) 2 2 ? F71 F72 F72 125(4) 2 2 ? C28 F72 F72 65(3) 2 2 ? F71 F72 C28 72(3) 2 . ? C28 F72 C28 14(3) 2 . ? F72 F72 C28 56(2) 2 . ? C28 F73 O14 84(2) . 2 ? C28 F73 C28 5(2) . 2 ? O14 F73 C28 82(2) 2 2 ? C15 O1 Ag4 118.3(9) . . ? C15 O1 Ag8 137.8(8) . 4_556 ? Ag4 O1 Ag8 101.4(3) . 4_556 ? C15 O2 Ag6 120.4(7) . . ? O1 C15 O2 128.8(11) . . ? O1 C15 C16 115.4(12) . . ? O2 C15 C16 115.8(10) . . ? F12 C16 F11 109.1(17) . . ? F12 C16 F13 111.0(13) . . ? F11 C16 F13 104.3(13) . . ? F12 C16 C15 114.3(12) . . ? F11 C16 C15 107.3(12) . . ? F13 C16 C15 110.3(14) . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 25.02 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.561 _refine_diff_density_min -1.110 _refine_diff_density_rms 0.179 data_compound_5 _database_code_depnum_ccdc_archive 'CCDC 237535' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C44 H16 Ag12 F24 N8 O16' _chemical_formula_weight 2663.09 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M P21/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 27.4459(14) _cell_length_b 9.2926(5) _cell_length_c 27.8251(14) _cell_angle_alpha 90.00 _cell_angle_beta 117.1060(10) _cell_angle_gamma 90.00 _cell_volume 6317.2(6) _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 0.48 _exptl_crystal_size_mid 0.46 _exptl_crystal_size_min 0.32 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.800 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4976 _exptl_absorpt_coefficient_mu 3.771 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.390777 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_process_details sadabs _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 34183 _diffrn_reflns_av_R_equivalents 0.0572 _diffrn_reflns_av_sigmaI/netI 0.0542 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 32 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -33 _diffrn_reflns_limit_l_max 32 _diffrn_reflns_theta_min 0.86 _diffrn_reflns_theta_max 25.00 _reflns_number_total 11099 _reflns_number_gt 8095 _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^)+(0.0640P)^2^+124.8686P] 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 11099 _refine_ls_number_parameters 937 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1047 _refine_ls_R_factor_gt 0.0770 _refine_ls_wR_factor_ref 0.1827 _refine_ls_wR_factor_gt 0.1657 _refine_ls_goodness_of_fit_ref 1.141 _refine_ls_restrained_S_all 1.141 _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 0.25275(5) -0.28545(12) 0.78270(4) 0.0379(3) Uani 1 1 d . . . Ag2 Ag 0.36793(4) -0.20040(13) 0.80291(4) 0.0414(3) Uani 1 1 d . . . Ag3 Ag 0.36587(5) 0.10728(15) 0.75362(6) 0.0613(4) Uani 1 1 d . . . Ag4 Ag 0.19681(5) 0.01632(14) 0.77293(5) 0.0499(3) Uani 1 1 d . . . Ag5 Ag 0.31172(5) -0.00872(14) 0.86103(4) 0.0489(3) Uani 1 1 d . . . Ag6 Ag 0.21562(5) -0.14237(14) 0.68174(4) 0.0491(3) Uani 1 1 d . . . Ag7 Ag 0.24858(6) -0.39536(13) 0.35903(5) 0.0495(3) Uani 1 1 d . . . Ag8 Ag 0.30213(4) -0.70644(13) 0.36212(4) 0.0395(3) Uani 1 1 d . . . Ag9 Ag 0.29386(5) -0.78792(11) 0.25408(4) 0.0383(3) Uani 1 1 d . . . Ag10 Ag 0.27538(5) -0.48226(13) 0.19831(5) 0.0453(3) Uani 1 1 d . . . Ag11 Ag 0.18723(5) -0.66130(16) 0.20708(5) 0.0569(4) Uani 1 1 d . . . Ag12 Ag 0.36354(4) -0.51665(13) 0.31651(5) 0.0446(3) Uani 1 1 d . . . C1 C 0.2719(7) -0.0603(17) 0.7694(7) 0.048(4) Uani 1 1 d . . . C2 C 0.3020(6) 0.0216(17) 0.7643(6) 0.039(3) Uani 1 1 d . . . C3 C 0.2613(6) -0.4795(16) 0.2960(5) 0.036(3) Uani 1 1 d . . . C4 C 0.2723(6) -0.5647(15) 0.2703(6) 0.039(3) Uani 1 1 d . . . O1 O 0.4101(4) -0.6018(12) 0.2661(4) 0.053(3) Uani 1 1 d . . . O2 O 0.3407(5) -0.7128(14) 0.1994(4) 0.060(3) Uani 1 1 d . . . C5 C 0.3877(6) -0.6644(16) 0.2227(6) 0.040(4) Uani 1 1 d . . . C6 C 0.4207(8) -0.6882(19) 0.1931(7) 0.054(4) Uani 1 1 d . . . F11 F 0.4087(8) -0.808(2) 0.1649(7) 0.158(8) Uani 1 1 d . . . F12 F 0.4720(6) -0.716(2) 0.2237(7) 0.147(7) Uani 1 1 d . . . F13 F 0.4154(9) -0.600(2) 0.1585(10) 0.211(13) Uani 1 1 d . . . O3 O 0.1087(5) 0.0149(15) 0.7002(5) 0.072(4) Uani 1 1 d . . . O4 O 0.1205(5) -0.1684(14) 0.6544(5) 0.062(3) Uani 1 1 d . . . C7 C 0.0943(7) -0.0785(17) 0.6652(6) 0.045(4) Uani 1 1 d . . . C8 C 0.0327(8) -0.081(3) 0.6275(9) 0.083(8) Uani 1 1 d . . . F21 F 0.0223(7) -0.051(4) 0.5793(8) 0.231(15) Uani 1 1 d . . . F22 F 0.0051(6) 0.001(4) 0.6373(11) 0.29(2) Uani 1 1 d . . . F23 F 0.0114(7) -0.205(2) 0.6202(12) 0.204(13) Uani 1 1 d . . . O5 O 0.1913(4) -0.2130(12) 0.8261(4) 0.050(3) Uani 1 1 d . . . O6 O 0.2577(4) -0.1224(12) 0.9008(4) 0.049(3) Uani 1 1 d . . . C9 C 0.2174(6) -0.1968(16) 0.8758(6) 0.039(3) Uani 1 1 d . . . C10 C 0.1934(9) -0.266(3) 0.9083(9) 0.080(7) Uani 1 1 d . . . F31 F 0.1487(9) -0.234(4) 0.8991(11) 0.243(17) Uani 1 1 d . . . F32 F 0.1859(14) -0.402(2) 0.8989(11) 0.234(15) Uani 1 1 d . . . F33 F 0.2217(9) -0.261(3) 0.9585(6) 0.187(11) Uani 1 1 d . . . O7 O 0.1152(6) 0.3019(13) 0.7713(5) 0.066(4) Uani 1 1 d . . . O8 O 0.1599(6) 0.1136(15) 0.8221(5) 0.071(4) Uani 1 1 d . . . C11 C 0.1302(6) 0.2201(19) 0.8094(7) 0.047(4) Uani 1 1 d . . . C12 C 0.1047(7) 0.248(2) 0.8477(7) 0.057(5) Uani 1 1 d . . . F41 F 0.0637(7) 0.170(2) 0.8363(7) 0.158(8) Uani 1 1 d . . . F42 F 0.0857(9) 0.376(2) 0.8444(8) 0.158(8) Uani 1 1 d . . . F43 F 0.1354(6) 0.233(3) 0.8960(5) 0.158(9) Uani 1 1 d . . . O9 O 0.2269(5) -0.6927(13) 0.3777(6) 0.069(4) Uani 1 1 d . . . O10 O 0.1782(4) -0.8908(14) 0.3425(5) 0.062(3) Uani 1 1 d . . . C13 C 0.1909(6) -0.7795(17) 0.3685(6) 0.040(4) Uani 1 1 d . . . C14 C 0.1549(7) -0.740(2) 0.3943(8) 0.056(5) Uani 1 1 d . . . F51 F 0.1286(14) -0.839(3) 0.4002(16) 0.29(2) Uani 1 1 d . . . F52 F 0.1183(12) -0.660(5) 0.3692(9) 0.33(3) Uani 1 1 d . . . F53 F 0.1753(6) -0.689(3) 0.4390(6) 0.166(10) Uani 1 1 d . . . O11 O 0.1543(5) -0.6682(13) 0.1140(4) 0.060(3) Uani 1 1 d . . . O12 O 0.2015(5) -0.4804(14) 0.1099(5) 0.066(4) Uani 1 1 d . . . C15 C 0.1666(7) -0.5734(17) 0.0897(7) 0.046(4) Uani 1 1 d . . . C16 C 0.1333(8) -0.578(3) 0.0293(7) 0.066(6) Uani 1 1 d . . . F61 F 0.1585(9) -0.530(3) 0.0047(6) 0.206(13) Uani 1 1 d . . . F62 F 0.1158(11) -0.690(2) 0.0091(5) 0.200(13) Uani 1 1 d . . . F63 F 0.0939(10) -0.493(3) 0.0137(7) 0.242(16) Uani 1 1 d . . . O13 O 0.1168(5) 0.2356(15) 0.6083(5) 0.067(4) Uani 1 1 d . . . O14 O 0.1912(5) 0.1031(12) 0.6333(5) 0.057(3) Uani 1 1 d . . . C17 C 0.1451(7) 0.1493(18) 0.6016(6) 0.047(4) Uani 1 1 d . . . C18 C 0.1237(8) 0.0872(19) 0.5438(6) 0.052(4) Uani 1 1 d . . . F71 F 0.1161(7) -0.0498(13) 0.5420(5) 0.113(5) Uani 1 1 d . . . F72 F 0.0816(7) 0.1535(18) 0.5087(5) 0.140(7) Uani 1 1 d . . . F73 F 0.1599(7) 0.0978(19) 0.5254(5) 0.118(5) Uani 1 1 d . . . O15 O 0.3919(4) -0.7826(13) 0.3809(5) 0.064(3) Uani 1 1 d . . . O16 O 0.3718(5) -0.9214(11) 0.3081(4) 0.053(3) Uani 1 1 d . . . C19 C 0.4007(6) -0.8715(16) 0.3534(6) 0.042(4) Uani 1 1 d . . . C20 C 0.4598(6) -0.9385(19) 0.3817(7) 0.049(4) Uani 1 1 d . . . F81 F 0.4905(8) -0.887(3) 0.3677(16) 0.265(19) Uani 1 1 d . . . F82 F 0.4831(8) -0.914(3) 0.4303(8) 0.27(2) Uani 1 1 d . . . F83 F 0.4622(5) -1.0705(14) 0.3767(7) 0.133(7) Uani 1 1 d . . . N1 N 0.1195(5) -0.7493(12) 0.2243(6) 0.043(3) Uani 1 1 d . . . N2 N -0.0610(5) -0.6666(14) 0.2467(5) 0.045(3) Uani 1 1 d . . . C21 C 0.0802(6) -0.7436(15) 0.2291(6) 0.036(3) Uani 1 1 d . . . C22 C 0.0317(6) -0.7227(15) 0.2353(6) 0.037(3) Uani 1 1 d . . . C23 C 0.0231(6) -0.5873(17) 0.2515(7) 0.048(4) Uani 1 1 d . . . H23A H 0.0484 -0.5134 0.2585 0.057 Uiso 1 1 calc R . . C24 C -0.0233(6) -0.5661(18) 0.2569(7) 0.048(4) Uani 1 1 d . . . H24A H -0.0288 -0.4763 0.2684 0.058 Uiso 1 1 calc R . . C25 C -0.0520(7) -0.7966(18) 0.2330(8) 0.056(5) Uani 1 1 d . . . H25A H -0.0772 -0.8693 0.2276 0.067 Uiso 1 1 calc R . . C26 C -0.0056(6) -0.8276(16) 0.2265(7) 0.048(4) Uani 1 1 d . . . H26A H -0.0004 -0.9192 0.2162 0.058 Uiso 1 1 calc R . . N3 N 0.2271(6) -0.2120(15) 0.6109(5) 0.051(4) Uani 1 1 d . . . N4 N 0.2409(5) -0.3285(12) 0.4293(4) 0.039(3) Uani 1 1 d . . . C27 C 0.2308(6) -0.2268(18) 0.5721(6) 0.046(4) Uani 1 1 d . . . C28 C 0.2339(6) -0.2598(15) 0.5229(5) 0.035(3) Uani 1 1 d . . . C29 C 0.2531(8) -0.3909(18) 0.5176(6) 0.051(4) Uani 1 1 d . . . H29A H 0.2637 -0.4587 0.5451 0.062 Uiso 1 1 calc R . . C30 C 0.2567(7) -0.4223(16) 0.4700(5) 0.041(4) Uani 1 1 d . . . H30A H 0.2705 -0.5110 0.4667 0.049 Uiso 1 1 calc R . . C31 C 0.2217(7) -0.2019(17) 0.4345(6) 0.048(4) Uani 1 1 d . . . H31A H 0.2105 -0.1367 0.4061 0.057 Uiso 1 1 calc R . . C32 C 0.2177(7) -0.1620(16) 0.4814(6) 0.046(4) Uani 1 1 d . . . H32A H 0.2045 -0.0719 0.4841 0.055 Uiso 1 1 calc R . . N5 N 0.6453(6) -0.3995(19) 0.5492(6) 0.070(5) Uani 1 1 d . . . N6 N 0.4462(5) -0.4587(12) 0.3848(5) 0.036(3) Uani 1 1 d . . . C33 C 0.6020(6) -0.4012(19) 0.5136(6) 0.049(4) Uani 1 1 d . . . C34 C 0.5491(6) -0.4187(16) 0.4699(6) 0.043(4) Uani 1 1 d . . . C35 C 0.5049(6) -0.3416(16) 0.4665(6) 0.043(4) Uani 1 1 d . . . H35A H 0.5091 -0.2732 0.4925 0.052 Uiso 1 1 calc R . . C36 C 0.4552(6) -0.3674(17) 0.4245(6) 0.047(4) Uani 1 1 d . . . H36A H 0.4254 -0.3176 0.4234 0.056 Uiso 1 1 calc R . . C37 C 0.4893(6) -0.5306(18) 0.3875(6) 0.044(4) Uani 1 1 d . . . H37A H 0.4839 -0.5957 0.3601 0.052 Uiso 1 1 calc R . . C38 C 0.5408(6) -0.5134(19) 0.4283(6) 0.052(4) Uani 1 1 d . . . H38A H 0.5700 -0.5642 0.4283 0.062 Uiso 1 1 calc R . . N7 N 0.4589(6) -0.104(2) 0.8578(6) 0.075(5) Uani 1 1 d . . . N8 N 0.6236(5) -0.0489(13) 1.0561(4) 0.034(3) Uani 1 1 d . . . C39 C 0.4950(6) -0.099(2) 0.9004(6) 0.055(5) Uani 1 1 d . . . C40 C 0.5390(6) -0.0862(17) 0.9528(6) 0.042(4) Uani 1 1 d . . . C41 C 0.5821(7) 0.003(2) 0.9616(6) 0.067(6) Uani 1 1 d . . . H41A H 0.5840 0.0517 0.9334 0.080 Uiso 1 1 calc R . . C42 C 0.6228(6) 0.0174(18) 1.0143(6) 0.046(4) Uani 1 1 d . . . H42A H 0.6517 0.0790 1.0203 0.055 Uiso 1 1 calc R . . C43 C 0.5820(7) -0.1324(19) 1.0467(6) 0.049(4) Uani 1 1 d . . . H43A H 0.5811 -0.1800 1.0756 0.059 Uiso 1 1 calc R . . C44 C 0.5397(7) -0.1533(19) 0.9961(6) 0.055(5) Uani 1 1 d . . . H44A H 0.5111 -0.2145 0.9916 0.067 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 0.0407(6) 0.0338(6) 0.0374(6) -0.0005(5) 0.0163(5) -0.0068(5) Ag2 0.0338(6) 0.0546(7) 0.0342(6) 0.0070(5) 0.0142(5) 0.0027(5) Ag3 0.0393(7) 0.0562(8) 0.0984(11) 0.0352(8) 0.0401(7) 0.0043(6) Ag4 0.0453(7) 0.0542(8) 0.0603(8) 0.0137(6) 0.0329(6) 0.0141(6) Ag5 0.0529(7) 0.0559(8) 0.0268(5) -0.0089(5) 0.0086(5) -0.0021(6) Ag6 0.0603(8) 0.0603(8) 0.0243(5) -0.0051(5) 0.0173(6) 0.0038(6) Ag7 0.0812(9) 0.0438(7) 0.0355(6) 0.0022(5) 0.0371(6) 0.0199(6) Ag8 0.0359(6) 0.0490(7) 0.0325(5) 0.0024(5) 0.0146(5) 0.0047(5) Ag9 0.0465(6) 0.0275(6) 0.0367(6) -0.0067(5) 0.0152(5) 0.0006(5) Ag10 0.0507(7) 0.0501(7) 0.0452(6) 0.0172(6) 0.0307(6) 0.0049(6) Ag11 0.0275(6) 0.0772(10) 0.0592(8) 0.0019(7) 0.0140(6) -0.0126(6) Ag12 0.0284(6) 0.0466(7) 0.0474(7) -0.0004(5) 0.0075(5) -0.0118(5) C1 0.042(9) 0.037(9) 0.054(10) -0.009(7) 0.012(8) -0.009(8) C2 0.039(8) 0.045(9) 0.039(8) -0.006(7) 0.024(7) -0.007(7) C3 0.050(9) 0.039(8) 0.030(7) 0.000(6) 0.027(7) 0.004(7) C4 0.043(8) 0.035(8) 0.037(8) -0.010(7) 0.016(7) -0.011(7) O1 0.049(7) 0.059(7) 0.042(6) -0.023(6) 0.014(5) -0.016(6) O2 0.064(8) 0.079(9) 0.036(6) -0.014(6) 0.020(6) -0.039(7) C5 0.044(9) 0.034(8) 0.042(8) 0.007(7) 0.019(7) -0.002(7) C6 0.063(12) 0.052(11) 0.056(10) 0.012(9) 0.035(9) 0.022(9) F11 0.161(16) 0.191(19) 0.158(15) -0.100(15) 0.105(14) -0.016(14) F12 0.076(10) 0.25(2) 0.126(12) -0.008(13) 0.050(9) 0.058(12) F13 0.26(2) 0.204(19) 0.33(3) 0.20(2) 0.28(2) 0.163(18) O3 0.062(8) 0.089(10) 0.046(7) -0.031(7) 0.008(6) 0.009(7) O4 0.049(7) 0.067(8) 0.070(8) -0.028(7) 0.029(6) 0.000(6) C7 0.055(10) 0.043(9) 0.042(9) 0.000(7) 0.027(8) -0.012(8) C8 0.031(10) 0.14(2) 0.066(14) -0.047(14) 0.009(10) -0.003(13) F21 0.064(11) 0.48(5) 0.091(13) 0.04(2) -0.019(10) -0.003(18) F22 0.051(9) 0.46(5) 0.28(3) -0.24(3) 0.011(13) 0.064(16) F23 0.068(10) 0.155(18) 0.29(3) 0.003(19) 0.000(14) -0.054(12) O5 0.038(6) 0.060(7) 0.046(6) -0.014(5) 0.014(5) -0.012(5) O6 0.048(7) 0.054(7) 0.047(6) -0.011(5) 0.024(6) -0.009(6) C9 0.036(8) 0.040(9) 0.042(8) -0.007(7) 0.018(7) -0.009(7) C10 0.061(13) 0.109(19) 0.074(14) -0.032(13) 0.035(11) -0.054(13) F31 0.146(17) 0.39(4) 0.29(3) 0.22(3) 0.18(2) 0.11(2) F32 0.44(4) 0.107(14) 0.27(3) -0.041(16) 0.26(3) -0.15(2) F33 0.23(2) 0.27(3) 0.067(9) 0.000(12) 0.079(12) -0.13(2) O7 0.114(11) 0.051(7) 0.054(7) 0.007(6) 0.056(8) 0.022(7) O8 0.088(9) 0.074(9) 0.055(7) 0.002(6) 0.035(7) 0.036(8) C11 0.042(9) 0.047(10) 0.049(9) -0.024(8) 0.018(8) -0.002(8) C12 0.044(9) 0.091(15) 0.049(10) -0.016(9) 0.034(9) 0.004(10) F41 0.147(14) 0.24(2) 0.148(14) -0.083(15) 0.119(13) -0.107(15) F42 0.25(2) 0.132(14) 0.183(17) 0.023(12) 0.174(18) 0.085(15) F43 0.101(11) 0.33(3) 0.036(6) 0.004(10) 0.028(7) 0.062(14) O9 0.072(8) 0.050(7) 0.119(11) -0.022(7) 0.073(9) -0.012(7) O10 0.048(7) 0.086(9) 0.061(7) -0.044(7) 0.034(6) -0.019(6) C13 0.037(8) 0.044(9) 0.040(8) 0.000(7) 0.018(7) 0.007(8) C14 0.039(9) 0.075(13) 0.069(12) -0.019(10) 0.038(9) -0.012(9) F51 0.37(4) 0.24(3) 0.51(5) -0.23(3) 0.41(4) -0.18(3) F52 0.27(3) 0.64(6) 0.144(17) 0.17(3) 0.144(19) 0.37(4) F53 0.099(11) 0.31(3) 0.115(12) -0.135(15) 0.075(10) -0.058(14) O11 0.072(8) 0.057(7) 0.039(6) -0.004(5) 0.016(6) -0.025(6) O12 0.049(7) 0.066(8) 0.060(7) 0.003(6) 0.005(6) -0.027(6) C15 0.052(10) 0.041(9) 0.063(10) -0.018(8) 0.043(9) -0.011(8) C16 0.051(11) 0.094(16) 0.030(9) 0.009(10) -0.002(9) -0.005(11) F61 0.155(18) 0.39(4) 0.067(9) 0.051(15) 0.042(11) -0.06(2) F62 0.33(3) 0.140(15) 0.051(8) -0.040(9) 0.017(12) -0.108(19) F63 0.19(2) 0.35(3) 0.074(10) -0.048(15) -0.037(12) 0.18(2) O13 0.068(8) 0.084(9) 0.051(7) -0.021(6) 0.029(6) 0.019(7) O14 0.070(8) 0.046(7) 0.055(7) -0.003(6) 0.029(7) 0.000(6) C17 0.051(10) 0.049(10) 0.039(8) 0.018(8) 0.019(8) 0.001(8) C18 0.069(12) 0.060(11) 0.022(7) -0.004(7) 0.017(8) 0.018(9) F71 0.178(15) 0.061(8) 0.075(8) -0.035(7) 0.037(9) -0.029(9) F72 0.140(13) 0.149(13) 0.050(7) -0.035(8) -0.027(8) 0.080(11) F73 0.144(13) 0.167(15) 0.080(8) -0.031(9) 0.081(9) -0.019(11) O15 0.041(6) 0.065(8) 0.072(8) -0.022(7) 0.013(6) 0.012(6) O16 0.062(7) 0.041(6) 0.043(6) -0.008(5) 0.012(6) 0.012(5) C19 0.045(9) 0.035(9) 0.047(9) 0.011(7) 0.023(8) 0.002(7) C20 0.022(8) 0.051(11) 0.071(12) -0.013(9) 0.019(8) 0.011(7) F81 0.122(15) 0.20(2) 0.57(5) 0.17(3) 0.23(3) 0.067(15) F82 0.103(13) 0.44(4) 0.123(14) -0.15(2) -0.067(12) 0.17(2) F83 0.070(8) 0.065(9) 0.169(15) -0.006(9) -0.028(9) 0.022(7) N1 0.045(7) 0.018(6) 0.078(9) 0.001(6) 0.040(7) -0.001(5) N2 0.031(7) 0.045(8) 0.059(8) -0.013(6) 0.021(6) 0.002(6) C21 0.044(9) 0.031(8) 0.046(8) -0.002(6) 0.031(7) 0.006(7) C22 0.034(8) 0.035(8) 0.040(8) 0.006(6) 0.015(7) 0.011(7) C23 0.044(9) 0.037(9) 0.069(11) -0.023(8) 0.032(8) -0.011(7) C24 0.035(8) 0.043(9) 0.069(11) -0.014(8) 0.025(8) 0.003(7) C25 0.050(10) 0.046(10) 0.087(13) -0.010(9) 0.045(10) 0.000(8) C26 0.046(9) 0.023(8) 0.085(12) -0.004(8) 0.039(9) -0.001(7) N3 0.068(9) 0.060(9) 0.024(6) -0.005(6) 0.021(6) 0.006(7) N4 0.066(8) 0.025(6) 0.029(6) -0.002(5) 0.025(6) 0.011(6) C27 0.042(9) 0.053(10) 0.044(9) 0.005(8) 0.021(8) 0.003(8) C28 0.049(9) 0.035(8) 0.023(6) -0.013(6) 0.019(6) -0.005(7) C29 0.088(13) 0.048(10) 0.030(8) 0.014(7) 0.037(9) 0.006(9) C30 0.064(10) 0.034(8) 0.034(7) -0.008(6) 0.031(8) 0.006(7) C31 0.071(11) 0.042(9) 0.039(8) 0.015(7) 0.032(8) 0.017(8) C32 0.070(11) 0.028(8) 0.040(8) 0.003(7) 0.026(8) 0.019(8) N5 0.054(10) 0.102(13) 0.047(8) -0.025(8) 0.018(8) 0.012(9) N6 0.030(6) 0.032(6) 0.036(6) -0.002(5) 0.005(5) -0.007(5) C33 0.028(8) 0.074(12) 0.028(8) -0.019(8) -0.002(7) 0.005(8) C34 0.045(9) 0.033(8) 0.042(8) 0.009(7) 0.013(7) 0.005(7) C35 0.040(9) 0.037(8) 0.043(8) -0.010(7) 0.011(7) 0.007(7) C36 0.037(8) 0.052(10) 0.042(8) 0.001(7) 0.010(7) 0.020(8) C37 0.035(8) 0.055(10) 0.038(8) -0.015(7) 0.014(7) 0.004(7) C38 0.030(8) 0.067(11) 0.048(9) -0.014(8) 0.009(7) 0.017(8) N7 0.049(9) 0.113(14) 0.052(9) 0.013(9) 0.013(8) -0.039(9) N8 0.031(6) 0.043(7) 0.023(6) 0.001(5) 0.008(5) -0.004(6) C39 0.035(9) 0.088(13) 0.026(8) 0.012(8) 0.001(7) -0.020(9) C40 0.041(9) 0.046(9) 0.039(8) 0.003(7) 0.017(7) -0.004(7) C41 0.051(10) 0.109(16) 0.026(8) 0.020(9) 0.006(8) -0.043(11) C42 0.033(8) 0.064(11) 0.040(8) -0.007(8) 0.015(7) -0.019(8) C43 0.051(10) 0.061(11) 0.031(8) 0.005(7) 0.014(8) 0.005(9) C44 0.054(10) 0.059(11) 0.046(9) 0.007(8) 0.016(8) -0.025(9) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 C1 2.229(16) . ? Ag1 C2 2.322(16) 2_546 ? Ag1 O14 2.372(11) 2_546 ? Ag1 O5 2.570(11) . ? Ag1 Ag6 2.8443(16) . ? Ag1 Ag2 3.0518(16) . ? Ag1 Ag3 3.1009(17) 2_546 ? Ag1 Ag4 3.1078(17) 2_546 ? Ag1 Ag4 3.1488(17) . ? Ag1 Ag5 3.2815(16) . ? Ag2 O7 2.315(11) 2_546 ? Ag2 O13 2.384(11) 2_546 ? Ag2 N7 2.429(14) . ? Ag2 C2 2.629(16) . ? Ag2 C1 2.696(16) . ? Ag2 Ag3 3.1604(17) . ? Ag2 Ag5 3.2314(17) . ? Ag2 Ag4 3.3352(17) 2_546 ? Ag3 C2 2.065(15) . ? Ag3 N2 2.174(12) 4_656 ? Ag3 Ag1 3.1009(17) 2_556 ? Ag4 C1 2.225(17) . ? Ag4 O8 2.232(12) . ? Ag4 O3 2.341(12) . ? Ag4 Ag5 2.9941(17) . ? Ag4 Ag1 3.1078(17) 2_556 ? Ag4 Ag6 3.1740(17) . ? Ag4 Ag2 3.3351(17) 2_556 ? Ag5 N8 2.242(11) 3_657 ? Ag5 C1 2.322(16) . ? Ag5 O6 2.457(11) . ? Ag5 C2 2.597(14) . ? Ag6 N3 2.228(12) . ? Ag6 C1 2.341(15) . ? Ag6 O4 2.376(12) . ? Ag6 O14 2.578(12) . ? Ag7 C3 2.089(13) . ? Ag7 N4 2.152(11) . ? Ag7 Ag9 2.9864(15) 2 ? Ag7 Ag8 3.2263(16) . ? Ag8 O9 2.298(11) . ? Ag8 O15 2.382(11) . ? Ag8 N5 2.428(14) 3_646 ? Ag8 C4 2.650(15) . ? Ag8 C3 2.684(14) . ? Ag8 Ag9 3.0068(15) . ? Ag8 Ag12 3.0839(17) . ? Ag8 Ag10 3.2655(17) 2_545 ? Ag9 C4 2.258(15) . ? Ag9 O16 2.334(11) . ? Ag9 C3 2.341(14) 2_545 ? Ag9 O2 2.496(11) . ? Ag9 Ag11 2.8588(17) . ? Ag9 Ag7 2.9864(15) 2_545 ? Ag9 Ag12 3.1625(15) . ? Ag9 Ag10 3.1647(16) . ? Ag9 Ag10 3.3049(17) 2_545 ? Ag10 C4 2.183(15) . ? Ag10 O10 2.226(11) 2 ? Ag10 O12 2.370(11) . ? Ag10 Ag11 3.0364(17) . ? Ag10 Ag12 3.0855(16) . ? Ag10 Ag8 3.2655(17) 2 ? Ag10 Ag9 3.3049(17) 2 ? Ag11 N1 2.274(12) . ? Ag11 O11 2.323(11) . ? Ag11 C4 2.369(14) . ? Ag12 N6 2.264(11) . ? Ag12 C4 2.278(14) . ? Ag12 O1 2.421(11) . ? Ag12 C3 2.619(15) . ? C1 C2 1.18(2) . ? C2 Ag1 2.322(15) 2_556 ? C3 C4 1.195(19) . ? C3 Ag9 2.341(14) 2 ? O1 C5 1.224(17) . ? O2 C5 1.236(18) . ? C5 C6 1.49(2) . ? C6 F13 1.22(2) . ? C6 F12 1.30(2) . ? C6 F11 1.32(2) . ? O3 C7 1.227(19) . ? O4 C7 1.226(19) . ? C7 C8 1.53(2) . ? C8 F22 1.19(3) . ? C8 F21 1.27(3) . ? C8 F23 1.27(3) . ? O5 C9 1.245(17) . ? O6 C9 1.218(17) . ? C9 C10 1.49(3) . ? C10 F31 1.17(3) . ? C10 F33 1.25(2) . ? C10 F32 1.28(3) . ? O7 C11 1.21(2) . ? O7 Ag2 2.315(11) 2_556 ? O8 C11 1.23(2) . ? C11 C12 1.54(2) . ? C12 F43 1.23(2) . ? C12 F41 1.25(2) . ? C12 F42 1.29(2) . ? O9 C13 1.209(18) . ? O10 C13 1.218(18) . ? O10 Ag10 2.226(11) 2_545 ? C13 C14 1.51(2) . ? C14 F52 1.19(2) . ? C14 F53 1.20(2) . ? C14 F51 1.23(3) . ? O11 C15 1.247(19) . ? O12 C15 1.221(18) . ? C15 C16 1.50(2) . ? C16 F62 1.18(2) . ? C16 F63 1.24(3) . ? C16 F61 1.26(3) . ? O13 C17 1.19(2) . ? O13 Ag2 2.384(11) 2_556 ? O14 C17 1.243(19) . ? O14 Ag1 2.372(11) 2_556 ? C17 C18 1.55(2) . ? C18 F72 1.280(19) . ? C18 F71 1.29(2) . ? C18 F73 1.31(2) . ? O15 C19 1.222(19) . ? O16 C19 1.233(18) . ? C19 C20 1.57(2) . ? C20 F81 1.18(2) . ? C20 F82 1.23(2) . ? C20 F83 1.240(19) . ? N1 C21 1.147(17) . ? N2 C25 1.32(2) . ? N2 C24 1.32(2) . ? N2 Ag3 2.174(12) 4 ? C21 C22 1.43(2) . ? C22 C26 1.35(2) . ? C22 C23 1.39(2) . ? C23 C24 1.36(2) . ? C25 C26 1.40(2) . ? N3 C27 1.138(19) . ? N4 C31 1.324(18) . ? N4 C30 1.334(18) . ? C27 C28 1.44(2) . ? C28 C29 1.36(2) . ? C28 C32 1.38(2) . ? C29 C30 1.404(19) . ? C31 C32 1.41(2) . ? N5 C33 1.149(19) . ? N5 Ag8 2.428(14) 3_646 ? N6 C36 1.323(19) . ? N6 C37 1.329(18) . ? C33 C34 1.42(2) . ? C34 C35 1.37(2) . ? C34 C38 1.39(2) . ? C35 C36 1.35(2) . ? C37 C38 1.36(2) . ? N7 C39 1.147(19) . ? N8 C43 1.30(2) . ? N8 C42 1.308(18) . ? N8 Ag5 2.242(10) 3_657 ? C39 C40 1.41(2) . ? C40 C44 1.35(2) . ? C40 C41 1.37(2) . ? C41 C42 1.39(2) . ? C43 C44 1.37(2) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C1 Ag1 C2 140.5(5) . 2_546 ? C1 Ag1 O14 118.5(5) . 2_546 ? C2 Ag1 O14 100.4(5) 2_546 2_546 ? C1 Ag1 O5 95.0(5) . . ? C2 Ag1 O5 94.1(4) 2_546 . ? O14 Ag1 O5 85.5(4) 2_546 . ? C1 Ag1 Ag6 53.3(4) . . ? C2 Ag1 Ag6 87.5(3) 2_546 . ? O14 Ag1 Ag6 163.1(3) 2_546 . ? O5 Ag1 Ag6 108.9(3) . . ? C1 Ag1 Ag2 59.0(4) . . ? C2 Ag1 Ag2 130.9(4) 2_546 . ? O14 Ag1 Ag2 77.2(3) 2_546 . ? O5 Ag1 Ag2 133.8(2) . . ? Ag6 Ag1 Ag2 86.32(5) . . ? C1 Ag1 Ag3 122.7(4) . 2_546 ? C2 Ag1 Ag3 41.8(4) 2_546 2_546 ? O14 Ag1 Ag3 107.1(3) 2_546 2_546 ? O5 Ag1 Ag3 54.6(2) . 2_546 ? Ag6 Ag1 Ag3 88.73(5) . 2_546 ? Ag2 Ag1 Ag3 171.43(5) . 2_546 ? C1 Ag1 Ag4 106.3(5) . 2_546 ? C2 Ag1 Ag4 65.4(4) 2_546 2_546 ? O14 Ag1 Ag4 89.8(3) 2_546 2_546 ? O5 Ag1 Ag4 157.7(2) . 2_546 ? Ag6 Ag1 Ag4 79.95(5) . 2_546 ? Ag2 Ag1 Ag4 65.56(4) . 2_546 ? Ag3 Ag1 Ag4 106.67(4) 2_546 2_546 ? C1 Ag1 Ag4 45.0(4) . . ? C2 Ag1 Ag4 118.3(4) 2_546 . ? O14 Ag1 Ag4 123.1(3) 2_546 . ? O5 Ag1 Ag4 53.8(3) . . ? Ag6 Ag1 Ag4 63.72(4) . . ? Ag2 Ag1 Ag4 102.04(5) . . ? Ag3 Ag1 Ag4 81.95(4) 2_546 . ? Ag4 Ag1 Ag4 142.68(4) 2_546 . ? C1 Ag1 Ag5 45.0(4) . . ? C2 Ag1 Ag5 167.4(4) 2_546 . ? O14 Ag1 Ag5 77.6(3) 2_546 . ? O5 Ag1 Ag5 73.4(2) . . ? Ag6 Ag1 Ag5 97.82(5) . . ? Ag2 Ag1 Ag5 61.23(4) . . ? Ag3 Ag1 Ag5 126.53(5) 2_546 . ? Ag4 Ag1 Ag5 126.76(5) 2_546 . ? Ag4 Ag1 Ag5 55.45(4) . . ? O7 Ag2 O13 156.2(5) 2_546 2_546 ? O7 Ag2 N7 89.5(5) 2_546 . ? O13 Ag2 N7 78.2(5) 2_546 . ? O7 Ag2 C2 90.5(5) 2_546 . ? O13 Ag2 C2 112.5(5) 2_546 . ? N7 Ag2 C2 106.5(6) . . ? O7 Ag2 C1 104.4(5) 2_546 . ? O13 Ag2 C1 99.3(5) 2_546 . ? N7 Ag2 C1 127.0(6) . . ? C2 Ag2 C1 25.5(4) . . ? O7 Ag2 Ag1 116.7(4) 2_546 . ? O13 Ag2 Ag1 78.7(3) 2_546 . ? N7 Ag2 Ag1 153.3(4) . . ? C2 Ag2 Ag1 70.5(3) . . ? C1 Ag2 Ag1 45.1(4) . . ? O7 Ag2 Ag3 64.9(3) 2_546 . ? O13 Ag2 Ag3 129.4(3) 2_546 . ? N7 Ag2 Ag3 75.4(4) . . ? C2 Ag2 Ag3 40.5(3) . . ? C1 Ag2 Ag3 65.9(4) . . ? Ag1 Ag2 Ag3 110.00(5) . . ? O7 Ag2 Ag5 141.0(3) 2_546 . ? O13 Ag2 Ag5 61.2(3) 2_546 . ? N7 Ag2 Ag5 94.0(5) . . ? C2 Ag2 Ag5 51.4(3) . . ? C1 Ag2 Ag5 45.0(3) . . ? Ag1 Ag2 Ag5 62.89(4) . . ? Ag3 Ag2 Ag5 78.48(5) . . ? O7 Ag2 Ag4 73.0(3) 2_546 2_546 ? O13 Ag2 Ag4 104.5(3) 2_546 2_546 ? N7 Ag2 Ag4 142.1(5) . 2_546 ? C2 Ag2 Ag4 107.0(3) . 2_546 ? C1 Ag2 Ag4 90.4(3) . 2_546 ? Ag1 Ag2 Ag4 58.03(4) . 2_546 ? Ag3 Ag2 Ag4 122.71(5) . 2_546 ? Ag5 Ag2 Ag4 120.90(5) . 2_546 ? C2 Ag3 N2 171.4(5) . 4_656 ? C2 Ag3 Ag1 48.5(4) . 2_556 ? N2 Ag3 Ag1 139.9(3) 4_656 2_556 ? C2 Ag3 Ag2 55.8(4) . . ? N2 Ag3 Ag2 115.7(3) 4_656 . ? Ag1 Ag3 Ag2 103.93(4) 2_556 . ? C1 Ag4 O8 147.8(5) . . ? C1 Ag4 O3 124.9(5) . . ? O8 Ag4 O3 87.4(5) . . ? C1 Ag4 Ag5 50.2(4) . . ? O8 Ag4 Ag5 97.6(3) . . ? O3 Ag4 Ag5 174.2(3) . . ? C1 Ag4 Ag1 62.3(4) . 2_556 ? O8 Ag4 Ag1 119.7(4) . 2_556 ? O3 Ag4 Ag1 95.2(4) . 2_556 ? Ag5 Ag4 Ag1 84.94(5) . 2_556 ? C1 Ag4 Ag1 45.1(4) . . ? O8 Ag4 Ag1 130.4(3) . . ? O3 Ag4 Ag1 109.9(3) . . ? Ag5 Ag4 Ag1 64.52(4) . . ? Ag1 Ag4 Ag1 105.10(4) 2_556 . ? C1 Ag4 Ag6 47.5(4) . . ? O8 Ag4 Ag6 164.4(4) . . ? O3 Ag4 Ag6 77.6(3) . . ? Ag5 Ag4 Ag6 97.13(5) . . ? Ag1 Ag4 Ag6 66.77(4) 2_556 . ? Ag1 Ag4 Ag6 53.46(4) . . ? C1 Ag4 Ag2 117.5(4) . 2_556 ? O8 Ag4 Ag2 79.0(3) . 2_556 ? O3 Ag4 Ag2 54.2(4) . 2_556 ? Ag5 Ag4 Ag2 129.65(6) . 2_556 ? Ag1 Ag4 Ag2 56.41(3) 2_556 2_556 ? Ag1 Ag4 Ag2 148.84(5) . 2_556 ? Ag6 Ag4 Ag2 95.43(4) . 2_556 ? N8 Ag5 C1 159.2(5) 3_657 . ? N8 Ag5 O6 89.8(4) 3_657 . ? C1 Ag5 O6 109.1(5) . . ? N8 Ag5 C2 134.4(4) 3_657 . ? C1 Ag5 C2 27.0(5) . . ? O6 Ag5 C2 135.7(4) . . ? N8 Ag5 Ag4 150.3(3) 3_657 . ? C1 Ag5 Ag4 47.4(4) . . ? O6 Ag5 Ag4 77.0(3) . . ? C2 Ag5 Ag4 64.6(3) . . ? N8 Ag5 Ag2 108.1(3) 3_657 . ? C1 Ag5 Ag2 55.2(4) . . ? O6 Ag5 Ag2 120.8(3) . . ? C2 Ag5 Ag2 52.3(3) . . ? Ag4 Ag5 Ag2 101.42(4) . . ? N8 Ag5 Ag1 142.2(3) 3_657 . ? C1 Ag5 Ag1 42.7(4) . . ? O6 Ag5 Ag1 75.3(2) . . ? C2 Ag5 Ag1 67.1(3) . . ? Ag4 Ag5 Ag1 60.03(4) . . ? Ag2 Ag5 Ag1 55.88(4) . . ? N3 Ag6 C1 136.3(6) . . ? N3 Ag6 O4 105.4(5) . . ? C1 Ag6 O4 118.3(5) . . ? N3 Ag6 O14 84.4(4) . . ? C1 Ag6 O14 98.5(5) . . ? O4 Ag6 O14 86.4(4) . . ? N3 Ag6 Ag1 127.3(4) . . ? C1 Ag6 Ag1 49.8(4) . . ? O4 Ag6 Ag1 96.6(3) . . ? O14 Ag6 Ag1 145.2(3) . . ? N3 Ag6 Ag4 169.1(4) . . ? C1 Ag6 Ag4 44.5(4) . . ? O4 Ag6 Ag4 75.4(3) . . ? O14 Ag6 Ag4 84.7(3) . . ? Ag1 Ag6 Ag4 62.81(4) . . ? C3 Ag7 N4 173.6(5) . . ? C3 Ag7 Ag9 51.3(4) . 2 ? N4 Ag7 Ag9 135.1(3) . 2 ? C3 Ag7 Ag8 55.9(4) . . ? N4 Ag7 Ag8 117.8(3) . . ? Ag9 Ag7 Ag8 106.37(4) 2 . ? O9 Ag8 O15 154.6(5) . . ? O9 Ag8 N5 87.4(5) . 3_646 ? O15 Ag8 N5 79.7(5) . 3_646 ? O9 Ag8 C4 104.2(5) . . ? O15 Ag8 C4 101.2(5) . . ? N5 Ag8 C4 123.9(5) 3_646 . ? O9 Ag8 C3 87.4(5) . . ? O15 Ag8 C3 116.8(5) . . ? N5 Ag8 C3 104.3(5) 3_646 . ? C4 Ag8 C3 25.9(4) . . ? O9 Ag8 Ag9 122.5(4) . . ? O15 Ag8 Ag9 75.2(3) . . ? N5 Ag8 Ag9 149.1(4) 3_646 . ? C4 Ag8 Ag9 46.5(3) . . ? C3 Ag8 Ag9 72.3(3) . . ? O9 Ag8 Ag12 138.8(3) . . ? O15 Ag8 Ag12 63.6(3) . . ? N5 Ag8 Ag12 90.2(4) 3_646 . ? C4 Ag8 Ag12 46.0(3) . . ? C3 Ag8 Ag12 53.5(3) . . ? Ag9 Ag8 Ag12 62.55(4) . . ? O9 Ag8 Ag7 61.2(3) . . ? O15 Ag8 Ag7 133.3(3) . . ? N5 Ag8 Ag7 73.5(4) 3_646 . ? C4 Ag8 Ag7 65.9(3) . . ? C3 Ag8 Ag7 40.1(3) . . ? Ag9 Ag8 Ag7 111.91(4) . . ? Ag12 Ag8 Ag7 78.72(4) . . ? O9 Ag8 Ag10 73.1(3) . 2_545 ? O15 Ag8 Ag10 104.2(3) . 2_545 ? N5 Ag8 Ag10 141.9(4) 3_646 2_545 ? C4 Ag8 Ag10 92.9(3) . 2_545 ? C3 Ag8 Ag10 107.1(3) . 2_545 ? Ag9 Ag8 Ag10 63.43(4) . 2_545 ? Ag12 Ag8 Ag10 125.94(5) . 2_545 ? Ag7 Ag8 Ag10 120.50(5) . 2_545 ? C4 Ag9 O16 127.3(4) . . ? C4 Ag9 C3 131.3(5) . 2_545 ? O16 Ag9 C3 97.7(5) . 2_545 ? C4 Ag9 O2 96.9(5) . . ? O16 Ag9 O2 88.1(4) . . ? C3 Ag9 O2 102.8(4) 2_545 . ? C4 Ag9 Ag11 53.6(4) . . ? O16 Ag9 Ag11 163.8(3) . . ? C3 Ag9 Ag11 77.9(4) 2_545 . ? O2 Ag9 Ag11 108.1(3) . . ? C4 Ag9 Ag7 120.4(4) . 2_545 ? O16 Ag9 Ag7 107.7(3) . 2_545 ? C3 Ag9 Ag7 44.1(3) 2_545 2_545 ? O2 Ag9 Ag7 60.9(2) . 2_545 ? Ag11 Ag9 Ag7 80.16(5) . 2_545 ? C4 Ag9 Ag8 58.4(4) . . ? O16 Ag9 Ag8 81.9(3) . . ? C3 Ag9 Ag8 121.4(3) 2_545 . ? O2 Ag9 Ag8 135.5(2) . . ? Ag11 Ag9 Ag8 87.07(5) . . ? Ag7 Ag9 Ag8 162.44(6) 2_545 . ? C4 Ag9 Ag12 46.0(4) . . ? O16 Ag9 Ag12 85.5(3) . . ? C3 Ag9 Ag12 176.6(4) 2_545 . ? O2 Ag9 Ag12 76.2(2) . . ? Ag11 Ag9 Ag12 99.21(5) . . ? Ag7 Ag9 Ag12 133.89(5) 2_545 . ? Ag8 Ag9 Ag12 59.92(4) . . ? C4 Ag9 Ag10 43.6(4) . . ? O16 Ag9 Ag10 133.5(3) . . ? C3 Ag9 Ag10 118.3(3) 2_545 . ? O2 Ag9 Ag10 57.5(3) . . ? Ag11 Ag9 Ag10 60.29(4) . . ? Ag7 Ag9 Ag10 83.39(4) 2_545 . ? Ag8 Ag9 Ag10 100.74(4) . . ? Ag12 Ag9 Ag10 58.37(4) . . ? C4 Ag9 Ag10 99.8(4) . 2_545 ? O16 Ag9 Ag10 88.7(3) . 2_545 ? C3 Ag9 Ag10 59.3(3) 2_545 2_545 ? O2 Ag9 Ag10 161.2(3) . 2_545 ? Ag11 Ag9 Ag10 75.67(4) . 2_545 ? Ag7 Ag9 Ag10 102.73(4) 2_545 2_545 ? Ag8 Ag9 Ag10 62.10(4) . 2_545 ? Ag12 Ag9 Ag10 121.98(4) . 2_545 ? Ag10 Ag9 Ag10 133.95(4) . 2_545 ? C4 Ag10 O10 150.8(5) . 2 ? C4 Ag10 O12 125.6(5) . . ? O10 Ag10 O12 83.4(4) 2 . ? C4 Ag10 Ag11 50.8(4) . . ? O10 Ag10 Ag11 155.8(3) 2 . ? O12 Ag10 Ag11 75.6(3) . . ? C4 Ag10 Ag12 47.5(4) . . ? O10 Ag10 Ag12 103.3(3) 2 . ? O12 Ag10 Ag12 172.5(3) . . ? Ag11 Ag10 Ag12 97.13(4) . . ? C4 Ag10 Ag9 45.5(4) . . ? O10 Ag10 Ag9 126.3(3) 2 . ? O12 Ag10 Ag9 112.7(3) . . ? Ag11 Ag10 Ag9 54.86(4) . . ? Ag12 Ag10 Ag9 60.78(4) . . ? C4 Ag10 Ag8 117.4(4) . 2 ? O10 Ag10 Ag8 80.1(3) 2 2 ? O12 Ag10 Ag8 53.9(3) . 2 ? Ag11 Ag10 Ag8 96.63(5) . 2 ? Ag12 Ag10 Ag8 129.84(5) . 2 ? Ag9 Ag10 Ag8 151.43(5) . 2 ? C4 Ag10 Ag9 63.5(4) . 2 ? O10 Ag10 Ag9 124.3(3) 2 2 ? O12 Ag10 Ag9 92.0(3) . 2 ? Ag11 Ag10 Ag9 69.05(4) . 2 ? Ag12 Ag10 Ag9 86.80(4) . 2 ? Ag9 Ag10 Ag9 106.67(3) . 2 ? Ag8 Ag10 Ag9 54.46(3) 2 2 ? N1 Ag11 O11 106.6(5) . . ? N1 Ag11 C4 127.1(5) . . ? O11 Ag11 C4 126.2(5) . . ? N1 Ag11 Ag9 121.4(3) . . ? O11 Ag11 Ag9 107.2(3) . . ? C4 Ag11 Ag9 50.1(4) . . ? N1 Ag11 Ag10 166.5(3) . . ? O11 Ag11 Ag10 81.1(3) . . ? C4 Ag11 Ag10 45.6(4) . . ? Ag9 Ag11 Ag10 64.86(4) . . ? N6 Ag12 C4 160.8(5) . . ? N6 Ag12 O1 88.4(4) . . ? C4 Ag12 O1 110.1(4) . . ? N6 Ag12 C3 135.7(4) . . ? C4 Ag12 C3 27.1(5) . . ? O1 Ag12 C3 135.5(4) . . ? N6 Ag12 Ag8 108.5(3) . . ? C4 Ag12 Ag8 56.9(4) . . ? O1 Ag12 Ag8 125.7(3) . . ? C3 Ag12 Ag8 55.4(3) . . ? N6 Ag12 Ag10 150.4(3) . . ? C4 Ag12 Ag10 45.0(4) . . ? O1 Ag12 Ag10 77.3(3) . . ? C3 Ag12 Ag10 60.8(3) . . ? Ag8 Ag12 Ag10 100.82(4) . . ? N6 Ag12 Ag9 140.8(3) . . ? C4 Ag12 Ag9 45.5(4) . . ? O1 Ag12 Ag9 76.6(2) . . ? C3 Ag12 Ag9 70.5(3) . . ? Ag8 Ag12 Ag9 57.53(4) . . ? Ag10 Ag12 Ag9 60.85(4) . . ? C2 C1 Ag4 120.9(13) . . ? C2 C1 Ag1 149.1(14) . . ? Ag4 C1 Ag1 90.0(6) . . ? C2 C1 Ag5 89.6(11) . . ? Ag4 C1 Ag5 82.3(6) . . ? Ag1 C1 Ag5 92.3(6) . . ? C2 C1 Ag6 104.6(13) . . ? Ag4 C1 Ag6 88.0(5) . . ? Ag1 C1 Ag6 76.9(5) . . ? Ag5 C1 Ag6 165.6(9) . . ? C2 C1 Ag2 74.0(11) . . ? Ag4 C1 Ag2 156.6(8) . . ? Ag1 C1 Ag2 75.9(5) . . ? Ag5 C1 Ag2 79.8(5) . . ? Ag6 C1 Ag2 106.3(6) . . ? C1 C2 Ag3 162.4(14) . . ? C1 C2 Ag1 104.8(12) . 2_556 ? Ag3 C2 Ag1 89.7(6) . 2_556 ? C1 C2 Ag5 63.4(10) . . ? Ag3 C2 Ag5 119.9(6) . . ? Ag1 C2 Ag5 113.7(6) 2_556 . ? C1 C2 Ag2 80.4(11) . . ? Ag3 C2 Ag2 83.7(5) . . ? Ag1 C2 Ag2 169.8(7) 2_556 . ? Ag5 C2 Ag2 76.4(4) . . ? C4 C3 Ag7 159.3(13) . . ? C4 C3 Ag9 114.8(11) . 2 ? Ag7 C3 Ag9 84.6(5) . 2 ? C4 C3 Ag12 60.3(9) . . ? Ag7 C3 Ag12 116.0(6) . . ? Ag9 C3 Ag12 124.6(6) 2 . ? C4 C3 Ag8 75.4(10) . . ? Ag7 C3 Ag8 84.1(4) . . ? Ag9 C3 Ag8 163.8(6) 2 . ? Ag12 C3 Ag8 71.1(4) . . ? C3 C4 Ag10 116.3(12) . . ? C3 C4 Ag9 152.8(13) . . ? Ag10 C4 Ag9 90.9(5) . . ? C3 C4 Ag12 92.6(10) . . ? Ag10 C4 Ag12 87.5(5) . . ? Ag9 C4 Ag12 88.4(6) . . ? C3 C4 Ag11 105.3(12) . . ? Ag10 C4 Ag11 83.6(5) . . ? Ag9 C4 Ag11 76.3(4) . . ? Ag12 C4 Ag11 162.1(7) . . ? C3 C4 Ag8 78.7(10) . . ? Ag10 C4 Ag8 159.3(7) . . ? Ag9 C4 Ag8 75.1(4) . . ? Ag12 C4 Ag8 77.1(4) . . ? Ag11 C4 Ag8 107.1(5) . . ? C5 O1 Ag12 124.5(10) . . ? C5 O2 Ag9 119.2(9) . . ? O1 C5 O2 128.7(15) . . ? O1 C5 C6 117.1(15) . . ? O2 C5 C6 114.2(14) . . ? F13 C6 F12 111(2) . . ? F13 C6 F11 101(2) . . ? F12 C6 F11 97.1(17) . . ? F13 C6 C5 116.9(15) . . ? F12 C6 C5 114.8(15) . . ? F11 C6 C5 113.9(17) . . ? C7 O3 Ag4 121.5(11) . . ? C7 O4 Ag6 122.2(10) . . ? O4 C7 O3 131.5(16) . . ? O4 C7 C8 114.1(15) . . ? O3 C7 C8 114.3(16) . . ? F22 C8 F21 104(3) . . ? F22 C8 F23 109(3) . . ? F21 C8 F23 100(2) . . ? F22 C8 C7 116.8(19) . . ? F21 C8 C7 112(2) . . ? F23 C8 C7 114(2) . . ? C9 O5 Ag1 112.7(9) . . ? C9 O6 Ag5 124.3(10) . . ? O6 C9 O5 128.1(15) . . ? O6 C9 C10 116.0(14) . . ? O5 C9 C10 115.7(14) . . ? F31 C10 F33 107(3) . . ? F31 C10 F32 99(2) . . ? F33 C10 F32 103(3) . . ? F31 C10 C9 118(2) . . ? F33 C10 C9 116.1(16) . . ? F32 C10 C9 112(2) . . ? C11 O7 Ag2 130.2(11) . 2_556 ? C11 O8 Ag4 125.2(12) . . ? O7 C11 O8 132.5(16) . . ? O7 C11 C12 114.6(15) . . ? O8 C11 C12 112.8(17) . . ? F43 C12 F41 107(2) . . ? F43 C12 F42 103.6(19) . . ? F41 C12 F42 103.2(19) . . ? F43 C12 C11 116.0(15) . . ? F41 C12 C11 111.5(15) . . ? F42 C12 C11 113.9(17) . . ? C13 O9 Ag8 129.8(10) . . ? C13 O10 Ag10 123.4(10) . 2_545 ? O9 C13 O10 132.7(15) . . ? O9 C13 C14 112.7(14) . . ? O10 C13 C14 114.6(15) . . ? F52 C14 F53 104(2) . . ? F52 C14 F51 99(3) . . ? F53 C14 F51 100(2) . . ? F52 C14 C13 115.7(19) . . ? F53 C14 C13 119.4(15) . . ? F51 C14 C13 115.8(18) . . ? C15 O11 Ag11 121.4(10) . . ? C15 O12 Ag10 126.5(11) . . ? O12 C15 O11 126.8(16) . . ? O12 C15 C16 118.9(16) . . ? O11 C15 C16 114.3(15) . . ? F62 C16 F63 107(2) . . ? F62 C16 F61 105(2) . . ? F63 C16 F61 101(2) . . ? F62 C16 C15 117.6(19) . . ? F63 C16 C15 111.3(19) . . ? F61 C16 C15 113.3(17) . . ? C17 O13 Ag2 120.8(11) . 2_556 ? C17 O14 Ag1 122.8(11) . 2_556 ? C17 O14 Ag6 127.9(10) . . ? Ag1 O14 Ag6 88.5(4) 2_556 . ? O13 C17 O14 130.4(16) . . ? O13 C17 C18 116.6(15) . . ? O14 C17 C18 112.9(16) . . ? F72 C18 F71 111.9(17) . . ? F72 C18 F73 104.3(16) . . ? F71 C18 F73 101.5(16) . . ? F72 C18 C17 113.3(14) . . ? F71 C18 C17 112.6(14) . . ? F73 C18 C17 112.3(15) . . ? C19 O15 Ag8 122.9(10) . . ? C19 O16 Ag9 115.6(10) . . ? O15 C19 O16 132.5(15) . . ? O15 C19 C20 114.0(14) . . ? O16 C19 C20 113.4(14) . . ? F81 C20 F82 101(2) . . ? F81 C20 F83 106(2) . . ? F82 C20 F83 106(2) . . ? F81 C20 C19 114.0(18) . . ? F82 C20 C19 112.3(15) . . ? F83 C20 C19 115.6(14) . . ? C21 N1 Ag11 155.6(11) . . ? C25 N2 C24 118.4(13) . . ? C25 N2 Ag3 123.9(11) . 4 ? C24 N2 Ag3 117.6(10) . 4 ? N1 C21 C22 174.9(15) . . ? C26 C22 C23 119.0(14) . . ? C26 C22 C21 123.3(14) . . ? C23 C22 C21 117.7(14) . . ? C24 C23 C22 118.0(14) . . ? N2 C24 C23 123.5(14) . . ? N2 C25 C26 121.8(15) . . ? C22 C26 C25 119.2(14) . . ? C27 N3 Ag6 169.7(14) . . ? C31 N4 C30 118.6(12) . . ? C31 N4 Ag7 124.4(9) . . ? C30 N4 Ag7 117.0(9) . . ? N3 C27 C28 174.5(18) . . ? C29 C28 C32 119.5(12) . . ? C29 C28 C27 119.1(13) . . ? C32 C28 C27 121.4(13) . . ? C28 C29 C30 119.0(13) . . ? N4 C30 C29 122.0(13) . . ? N4 C31 C32 122.6(13) . . ? C28 C32 C31 118.3(13) . . ? C33 N5 Ag8 141.6(13) . 3_646 ? C36 N6 C37 116.9(12) . . ? C36 N6 Ag12 126.0(10) . . ? C37 N6 Ag12 116.9(9) . . ? N5 C33 C34 174.3(19) . . ? C35 C34 C38 118.0(14) . . ? C35 C34 C33 121.8(14) . . ? C38 C34 C33 120.1(14) . . ? C36 C35 C34 118.5(14) . . ? N6 C36 C35 124.5(14) . . ? N6 C37 C38 123.1(14) . . ? C37 C38 C34 118.9(14) . . ? C39 N7 Ag2 145.2(13) . . ? C43 N8 C42 116.3(12) . . ? C43 N8 Ag5 124.1(10) . 3_657 ? C42 N8 Ag5 119.1(10) . 3_657 ? N7 C39 C40 178(2) . . ? C44 C40 C41 117.3(14) . . ? C44 C40 C39 122.8(15) . . ? C41 C40 C39 119.8(14) . . ? C40 C41 C42 117.6(14) . . ? N8 C42 C41 125.0(14) . . ? N8 C43 C44 123.1(15) . . ? C40 C44 C43 120.8(15) . . ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 1.688 _refine_diff_density_min -1.265 _refine_diff_density_rms 0.234 #===END