# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2008 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _journal_volume ? _journal_page_first ? _journal_year ? _publ_contact_author_name 'Quan-Ming Wang' _publ_contact_author_email QMWANG@XMU.EDU.CN _publ_section_title ; Snowman-like silver alkynyl cluster consolidated by templating chloride and peripheral trifluoroacetates ; loop_ _publ_author_name 'Quan-Ming Wang.' 'Shu-Dan Bian.' # Attachment 'bsd1cif.txt' data_1 _database_code_depnum_ccdc_archive 'CCDC 689647' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C80 H99 Ag19 Cl F21 O14' _chemical_formula_weight 3768.57 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/m loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' '-x, -y, -z' 'x, -y-1/2, z' _cell_length_a 14.5411(6) _cell_length_b 27.4775(13) _cell_length_c 15.0210(6) _cell_angle_alpha 90.00 _cell_angle_beta 115.516(5) _cell_angle_gamma 90.00 _cell_volume 5416.3(4) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block-like _exptl_crystal_colour colorless _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.311 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3580 _exptl_absorpt_coefficient_mu 27.842 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.1350 _exptl_absorpt_correction_T_max 0.2142 _exptl_absorpt_process_details ; CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET) (compiled Apr 27 2007,17:53:11) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'Enhance (Cu) X-ray Source' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Oxford Gemini S Ultra' _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 19722 _diffrn_reflns_av_R_equivalents 0.0521 _diffrn_reflns_av_sigmaI/netI 0.0658 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -31 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 3.54 _diffrn_reflns_theta_max 62.27 _reflns_number_total 8478 _reflns_number_gt 5837 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CrysAlis CCD, Oxford Diffraction Ltd.' _computing_cell_refinement 'CrysAlis RED, Oxford Diffraction Ltd.' _computing_data_reduction 'CrysAlis RED, Oxford Diffraction Ltd.' _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^)+(0.1182P)^2^+259.5677P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 8478 _refine_ls_number_parameters 577 _refine_ls_number_restraints 136 _refine_ls_R_factor_all 0.1295 _refine_ls_R_factor_gt 0.1000 _refine_ls_wR_factor_ref 0.2801 _refine_ls_wR_factor_gt 0.2662 _refine_ls_goodness_of_fit_ref 1.036 _refine_ls_restrained_S_all 1.038 _refine_ls_shift/su_max 0.004 _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 0.48224(13) 0.30473(6) -0.29866(13) 0.0469(4) Uani 1 1 d . . . Ag2 Ag 0.30059(12) 0.30316(6) -0.26172(12) 0.0445(4) Uani 1 1 d . . . Ag3 Ag 0.4099(3) 0.2500 -0.4822(2) 0.0780(10) Uani 1 2 d S . . Ag4 Ag 0.27922(15) 0.33164(8) -0.46143(16) 0.0674(6) Uani 1 1 d . . . Ag5 Ag 0.15985(19) 0.2500 -0.43547(18) 0.0508(6) Uani 1 2 d S . . Ag6 Ag 0.3213(2) 0.32770(8) -0.64117(16) 0.0952(9) Uani 1 1 d . . . Ag7 Ag 0.04491(15) 0.32650(7) -0.59157(14) 0.0630(6) Uani 1 1 d . . . Ag8 Ag 0.11661(15) 0.32698(7) -0.8555(2) 0.0799(7) Uani 1 1 d . . . Ag9 Ag -0.07208(18) 0.33184(8) -0.81899(16) 0.0727(6) Uani 1 1 d . . . Ag10 Ag -0.10910(18) 0.2500 -0.68757(19) 0.0483(6) Uani 1 2 d S . . Ag11 Ag 0.2901(2) 0.2500 -0.7805(2) 0.0560(7) Uani 1 2 d S . . Ag12 Ag -0.04120(19) 0.2500 -0.9417(2) 0.0526(6) Uani 1 2 d S . . Cl1 Cl 0.1364(18) 0.2500 -0.665(2) 0.182(10) Uani 1 2 d S . . O11 O 0.5017(13) 0.3796(5) -0.2254(13) 0.058(5) Uani 1 1 d . . . O12 O 0.3537(13) 0.3825(6) -0.2189(16) 0.070(6) Uani 1 1 d . . . C11 C 0.432(2) 0.3977(8) -0.205(2) 0.057(7) Uani 1 1 d . . . C12 C 0.460(2) 0.4488(9) -0.158(3) 0.076(7) Uani 1 1 d U . . F11 F 0.465(2) 0.4816(6) -0.2162(18) 0.139(8) Uani 1 1 d U . . F12 F 0.3943(17) 0.4669(7) -0.131(2) 0.129(8) Uani 1 1 d U . . F13 F 0.5479(16) 0.4512(7) -0.0862(16) 0.129(9) Uani 1 1 d U . . O21 O 0.1955(14) 0.2904(6) -0.1842(14) 0.064(5) Uani 1 1 d . . . C21 C 0.175(2) 0.2500 -0.1655(19) 0.040(7) Uani 1 2 d S . . C22 C 0.111(4) 0.2500 -0.102(4) 0.075(12) Uani 1 2 d S . . F21 F 0.177(3) 0.2500 -0.007(2) 0.132(13) Uani 1 2 d S . . F22 F 0.0517(15) 0.2878(6) -0.1206(17) 0.103(7) Uani 1 1 d . . . O31 O 0.085(2) 0.3911(10) -0.692(2) 0.150 Uiso 1 1 d D . . O32 O 0.230(2) 0.3979(10) -0.584(2) 0.150 Uiso 1 1 d D . . C31 C 0.1554(19) 0.4145(9) -0.6506(19) 0.113(13) Uiso 1 1 d D . . C32 C 0.162(2) 0.4655(9) -0.6745(19) 0.129(15) Uiso 1 1 d D . . F31 F 0.194(4) 0.4969(12) -0.602(2) 0.45(5) Uiso 1 1 d D . . F32 F 0.085(2) 0.4894(12) -0.732(3) 0.249(19) Uiso 1 1 d D . . F33 F 0.224(2) 0.4778(11) -0.711(3) 0.211(15) Uiso 1 1 d D . . O41 O 0.464(2) 0.2500 -0.646(3) 0.150 Uiso 1 2 d SD . . O42 O 0.588(3) 0.2500 -0.499(3) 0.150 Uiso 1 2 d SD . . C41 C 0.553(3) 0.2500 -0.589(3) 0.200 Uiso 1 2 d SD . . C42 C 0.632(2) 0.2500 -0.629(2) 0.200 Uiso 1 2 d SD . . F41 F 0.642(2) 0.2847(4) -0.685(2) 0.200 Uiso 1 1 d D . . F42 F 0.731(2) 0.2500 -0.570(3) 0.200 Uiso 1 2 d SD . . O51 O 0.6431(15) 0.2890(7) -0.2859(19) 0.085(7) Uani 1 1 d . . . C51 C 0.677(3) 0.2500 -0.287(5) 0.098(12) Uani 1 2 d SU . . C52 C 0.789(3) 0.2500 -0.273(3) 0.105(11) Uani 1 2 d SDU . . F51 F 0.849(3) 0.2500 -0.181(4) 0.204(18) Uani 1 2 d SDU . . F52 F 0.8171(17) 0.2875(8) -0.303(2) 0.145(9) Uani 1 1 d DU . . C111 C -0.1197(16) 0.3253(8) -0.6943(16) 0.041(5) Uani 1 1 d . . . C112 C -0.1680(17) 0.3637(8) -0.723(2) 0.055(6) Uani 1 1 d . . . C113 C -0.232(2) 0.4074(9) -0.751(2) 0.066(7) Uani 1 1 d U . . C114 C -0.259(3) 0.4210(16) -0.670(3) 0.134(15) Uani 1 1 d U . . H11A H -0.1972 0.4229 -0.6083 0.202 Uiso 1 1 calc R . . H11B H -0.3050 0.3964 -0.6644 0.202 Uiso 1 1 calc R . . H11C H -0.2933 0.4527 -0.6847 0.202 Uiso 1 1 calc R . . C115 C -0.320(3) 0.4036(13) -0.851(3) 0.127(15) Uani 1 1 d U . . H11G H -0.3619 0.3754 -0.8520 0.190 Uiso 1 1 calc R . . H11H H -0.2944 0.3995 -0.9008 0.190 Uiso 1 1 calc R . . H11I H -0.3611 0.4332 -0.8643 0.190 Uiso 1 1 calc R . . C116 C -0.166(3) 0.4518(11) -0.747(3) 0.117(13) Uani 1 1 d U . . H11D H -0.1093 0.4542 -0.6811 0.175 Uiso 1 1 calc R . . H11E H -0.2074 0.4814 -0.7612 0.175 Uiso 1 1 calc R . . H11F H -0.1388 0.4480 -0.7961 0.175 Uiso 1 1 calc R . . C211 C 0.421(2) 0.3281(8) -0.4763(16) 0.054(6) Uani 1 1 d . . . C212 C 0.4757(19) 0.3587(10) -0.4820(18) 0.055(6) Uani 1 1 d . . . C213 C 0.546(2) 0.3999(10) -0.475(2) 0.066(7) Uani 1 1 d U . . C214 C 0.510(3) 0.4228(13) -0.575(3) 0.099(11) Uani 1 1 d U . . H21A H 0.5136 0.3989 -0.6216 0.148 Uiso 1 1 calc R . . H21B H 0.5527 0.4508 -0.5714 0.148 Uiso 1 1 calc R . . H21C H 0.4389 0.4335 -0.5975 0.148 Uiso 1 1 calc R . . C215 C 0.654(3) 0.3831(16) -0.431(4) 0.16(2) Uani 1 1 d U . . H21G H 0.6624 0.3573 -0.4716 0.240 Uiso 1 1 calc R . . H21H H 0.6729 0.3706 -0.3639 0.240 Uiso 1 1 calc R . . H21I H 0.6988 0.4105 -0.4274 0.240 Uiso 1 1 calc R . . C216 C 0.537(3) 0.4398(12) -0.414(3) 0.118(13) Uani 1 1 d U . . H21D H 0.4665 0.4510 -0.4412 0.177 Uiso 1 1 calc R . . H21E H 0.5814 0.4667 -0.4146 0.177 Uiso 1 1 calc R . . H21F H 0.5585 0.4284 -0.3464 0.177 Uiso 1 1 calc R . . C311 C -0.0491(19) 0.3266(9) -0.9505(15) 0.054(6) Uani 1 1 d . . . C312 C -0.0844(16) 0.3617(7) -1.006(2) 0.051(6) Uani 1 1 d . . . C313 C -0.129(2) 0.4021(8) -1.073(2) 0.057(6) Uani 1 1 d . . . C314 C -0.245(2) 0.3998(14) -1.113(3) 0.110(13) Uani 1 1 d . . . H31A H -0.2693 0.3692 -1.1493 0.164 Uiso 1 1 calc R . . H31B H -0.2749 0.4273 -1.1579 0.164 Uiso 1 1 calc R . . H31C H -0.2639 0.4014 -1.0584 0.164 Uiso 1 1 calc R . . C315 C -0.091(3) 0.3984(13) -1.150(3) 0.098(12) Uani 1 1 d . . . H31G H -0.0163 0.4003 -1.1186 0.147 Uiso 1 1 calc R . . H31H H -0.1187 0.4252 -1.1969 0.147 Uiso 1 1 calc R . . H31I H -0.1125 0.3673 -1.1846 0.147 Uiso 1 1 calc R . . C316 C -0.089(3) 0.4503(10) -1.016(3) 0.134(19) Uani 1 1 d . . . H31D H -0.0145 0.4516 -0.9915 0.201 Uiso 1 1 calc R . . H31E H -0.1071 0.4519 -0.9608 0.201 Uiso 1 1 calc R . . H31F H -0.1194 0.4778 -1.0607 0.201 Uiso 1 1 calc R . . C411 C 0.1489(17) 0.3286(9) -0.423(2) 0.070(9) Uani 1 1 d . . . C412 C 0.1024(16) 0.3571(8) -0.4044(16) 0.044(5) Uani 1 1 d . . . C413 C 0.0477(17) 0.3940(8) -0.3760(18) 0.047(6) Uani 1 1 d . . . C414 C 0.035(3) 0.4406(9) -0.439(3) 0.089(10) Uani 1 1 d . . . H41A H 0.1022 0.4538 -0.4258 0.133 Uiso 1 1 calc R . . H41B H -0.0042 0.4649 -0.4222 0.133 Uiso 1 1 calc R . . H41C H -0.0013 0.4324 -0.5093 0.133 Uiso 1 1 calc R . . C415 C 0.100(2) 0.4060(9) -0.271(2) 0.062(7) Uani 1 1 d . . . H41G H 0.1071 0.3766 -0.2315 0.093 Uiso 1 1 calc R . . H41H H 0.0607 0.4304 -0.2545 0.093 Uiso 1 1 calc R . . H41I H 0.1680 0.4191 -0.2559 0.093 Uiso 1 1 calc R . . C416 C -0.058(2) 0.3739(13) -0.398(3) 0.085(10) Uani 1 1 d . . . H41D H -0.0514 0.3448 -0.3579 0.128 Uiso 1 1 calc R . . H41E H -0.0941 0.3656 -0.4680 0.128 Uiso 1 1 calc R . . H41F H -0.0973 0.3987 -0.3817 0.128 Uiso 1 1 calc R . . C511 C 0.434(2) 0.2500 -0.207(2) 0.038(7) Uani 1 2 d S . . C512 C 0.502(2) 0.2500 -0.130(3) 0.047(8) Uani 1 2 d S . . C513 C 0.582(4) 0.2500 -0.029(3) 0.092(13) Uani 1 2 d SDU . . C514 C 0.650(3) 0.2052(15) -0.009(3) 0.154(18) Uani 1 1 d DU . . H51A H 0.6718 0.2015 -0.0617 0.231 Uiso 1 1 calc R . . H51B H 0.6117 0.1763 -0.0064 0.231 Uiso 1 1 calc R . . H51C H 0.7098 0.2091 0.0544 0.231 Uiso 1 1 calc R . . C515 C 0.562(5) 0.2500 0.063(4) 0.18(2) Uani 1 2 d SDU . . H51I H 0.6240 0.2500 0.1232 0.266 Uiso 1 2 d SR . . H51D H 0.5233 0.2217 0.0614 0.266 Uiso 1 1 d R . . C611 C 0.2853(18) 0.3265(9) -0.7964(14) 0.053(7) Uani 1 1 d . . . C612 C 0.2906(16) 0.3564(8) -0.8509(16) 0.044(5) Uani 1 1 d . . . C613 C 0.306(2) 0.3922(14) -0.915(2) 0.110(12) Uani 1 1 d DU . . C614 C 0.214(3) 0.4045(19) -0.998(3) 0.156(17) Uani 1 1 d DU . . H61A H 0.1721 0.4250 -0.9761 0.233 Uiso 1 1 calc R . . H61B H 0.1763 0.3747 -1.0277 0.233 Uiso 1 1 calc R . . H61C H 0.2293 0.4222 -1.0462 0.233 Uiso 1 1 calc R . . C615 C 0.346(4) 0.3661(19) -0.973(4) 0.180(19) Uani 1 1 d DU . . H61G H 0.4126 0.3524 -0.9295 0.269 Uiso 1 1 calc R . . H61H H 0.3533 0.3882 -1.0204 0.269 Uiso 1 1 calc R . . H61I H 0.2991 0.3397 -1.0079 0.269 Uiso 1 1 calc R . . C616 C 0.388(4) 0.4241(18) -0.862(3) 0.174(18) Uani 1 1 d DU . . H61D H 0.3697 0.4458 -0.8208 0.261 Uiso 1 1 calc R . . H61E H 0.4039 0.4435 -0.9087 0.261 Uiso 1 1 calc R . . H61F H 0.4487 0.4051 -0.8201 0.261 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 0.0489(10) 0.0302(8) 0.0603(10) -0.0026(7) 0.0222(8) -0.0008(7) Ag2 0.0436(9) 0.0290(8) 0.0567(10) -0.0025(7) 0.0177(7) -0.0011(7) Ag3 0.120(3) 0.0255(13) 0.0607(17) 0.000 0.0131(17) 0.000 Ag4 0.0523(11) 0.0661(13) 0.0803(14) 0.0095(11) 0.0252(10) -0.0023(9) Ag5 0.0576(15) 0.0240(11) 0.0555(14) 0.000 0.0101(12) 0.000 Ag6 0.165(3) 0.0433(12) 0.0489(12) -0.0015(9) 0.0188(14) 0.0013(13) Ag7 0.0567(11) 0.0525(11) 0.0557(11) 0.0119(9) 0.0016(9) -0.0139(9) Ag8 0.0419(11) 0.0497(11) 0.130(2) -0.0207(12) 0.0196(11) -0.0069(9) Ag9 0.0924(16) 0.0710(14) 0.0627(12) -0.0063(11) 0.0409(12) -0.0114(12) Ag10 0.0433(13) 0.0277(11) 0.0658(16) 0.000 0.0160(11) 0.000 Ag11 0.0688(17) 0.0379(13) 0.0580(16) 0.000 0.0241(13) 0.000 Ag12 0.0533(15) 0.0362(12) 0.0637(16) 0.000 0.0208(12) 0.000 Cl1 0.20(2) 0.104(12) 0.34(3) 0.000 0.21(2) 0.000 O11 0.074(12) 0.023(8) 0.093(13) -0.022(8) 0.051(10) -0.010(8) O12 0.045(10) 0.031(9) 0.123(17) -0.021(10) 0.026(10) -0.009(8) C11 0.066(18) 0.026(12) 0.075(18) 0.017(11) 0.026(15) 0.005(12) C12 0.088(16) 0.028(12) 0.132(19) -0.024(13) 0.068(14) -0.004(12) F11 0.24(2) 0.035(9) 0.150(18) -0.004(11) 0.087(17) -0.037(12) F12 0.122(15) 0.057(11) 0.23(2) -0.054(13) 0.091(16) -0.007(11) F13 0.102(14) 0.087(13) 0.112(15) -0.053(12) -0.035(11) 0.020(11) O21 0.094(14) 0.031(9) 0.091(13) 0.008(9) 0.064(12) 0.010(9) C21 0.055(19) 0.038(18) 0.014(13) 0.000 0.005(13) 0.000 C22 0.10(3) 0.05(2) 0.09(3) 0.000 0.05(3) 0.000 F21 0.15(3) 0.20(4) 0.060(18) 0.000 0.050(19) 0.000 F22 0.112(15) 0.064(11) 0.18(2) -0.010(12) 0.106(15) 0.015(10) O51 0.072(13) 0.050(11) 0.15(2) 0.017(12) 0.061(14) 0.016(10) C51 0.045(18) 0.07(2) 0.19(3) 0.000 0.06(2) 0.000 C52 0.048(17) 0.08(2) 0.20(3) 0.000 0.070(18) 0.000 F51 0.09(2) 0.21(3) 0.24(4) 0.000 0.01(3) 0.000 F52 0.099(14) 0.088(14) 0.27(3) 0.046(16) 0.098(17) 0.003(12) C111 0.042(12) 0.039(12) 0.043(12) 0.011(10) 0.020(10) 0.009(10) C112 0.036(13) 0.030(12) 0.086(18) -0.002(12) 0.013(12) 0.006(10) C113 0.063(14) 0.033(12) 0.092(17) -0.019(12) 0.024(13) 0.018(11) C114 0.11(2) 0.11(3) 0.15(3) -0.01(2) 0.03(2) 0.06(2) C115 0.12(2) 0.07(2) 0.11(2) -0.032(19) -0.02(2) 0.034(18) C116 0.09(2) 0.038(15) 0.18(3) 0.013(19) 0.01(2) 0.003(15) C211 0.092(19) 0.040(13) 0.038(12) -0.008(10) 0.035(13) -0.020(13) C212 0.049(15) 0.056(16) 0.058(15) 0.017(12) 0.020(12) 0.010(12) C213 0.055(15) 0.048(14) 0.086(18) 0.026(13) 0.022(13) -0.014(12) C214 0.11(3) 0.09(2) 0.10(2) 0.02(2) 0.04(2) -0.02(2) C215 0.08(2) 0.13(3) 0.23(4) 0.10(3) 0.02(3) -0.03(2) C216 0.13(3) 0.051(19) 0.18(4) -0.01(2) 0.08(3) -0.04(2) C311 0.065(16) 0.066(17) 0.023(11) 0.011(11) 0.011(11) -0.006(13) C312 0.039(12) 0.024(11) 0.089(18) 0.028(12) 0.029(12) 0.008(9) C313 0.064(16) 0.030(12) 0.071(17) 0.013(12) 0.025(14) 0.008(11) C314 0.08(2) 0.10(3) 0.11(3) 0.04(2) 0.00(2) 0.03(2) C315 0.12(3) 0.08(2) 0.09(2) 0.05(2) 0.05(2) 0.03(2) C316 0.17(4) 0.022(14) 0.13(3) 0.008(17) -0.01(3) -0.025(19) C411 0.027(12) 0.035(14) 0.10(2) 0.007(14) -0.017(13) 0.009(11) C412 0.034(12) 0.029(11) 0.053(14) 0.000(10) 0.004(10) 0.004(10) C413 0.046(13) 0.039(12) 0.063(15) -0.007(11) 0.029(12) 0.000(10) C414 0.11(3) 0.033(14) 0.13(3) 0.030(16) 0.06(2) 0.036(15) C415 0.078(18) 0.032(12) 0.075(18) 0.003(12) 0.032(15) 0.016(12) C416 0.041(15) 0.10(2) 0.11(3) -0.03(2) 0.029(16) -0.006(15) C511 0.032(17) 0.022(14) 0.05(2) 0.000 0.014(16) 0.000 C512 0.031(17) 0.017(14) 0.07(2) 0.000 0.005(17) 0.000 C513 0.12(3) 0.10(3) 0.043(19) 0.000 0.02(2) 0.000 C514 0.17(3) 0.12(3) 0.07(2) -0.024(19) -0.05(2) 0.05(2) C515 0.16(4) 0.16(4) 0.12(3) 0.000 -0.02(3) 0.000 C611 0.059(15) 0.065(16) 0.015(10) 0.016(10) -0.004(10) -0.015(12) C612 0.037(12) 0.049(13) 0.043(12) 0.001(11) 0.015(10) -0.011(10) C613 0.11(2) 0.15(3) 0.070(18) 0.023(18) 0.045(15) -0.07(2) C614 0.13(3) 0.18(4) 0.10(3) 0.04(3) 0.00(2) -0.06(3) C615 0.17(3) 0.20(4) 0.14(3) 0.05(3) 0.04(3) -0.06(3) C616 0.21(3) 0.18(3) 0.08(2) 0.02(2) 0.01(2) -0.14(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 O11 2.293(14) . ? Ag1 O51 2.304(19) . ? Ag1 C511 2.35(2) . ? Ag1 C211 2.51(2) . ? Ag1 Ag3 2.911(3) . ? Ag1 Ag2 2.924(2) . ? Ag1 Ag4 3.004(3) . ? Ag1 Ag1 3.008(3) 4_565 ? Ag2 C511 2.28(2) . ? Ag2 O12 2.311(15) . ? Ag2 O21 2.311(16) . ? Ag2 C411 2.58(2) . ? Ag2 Ag5 2.921(3) . ? Ag2 Ag2 2.921(3) 4_565 ? Ag2 Ag4 2.984(3) . ? Ag3 C211 2.15(2) . ? Ag3 C211 2.15(2) 4_565 ? Ag3 Ag1 2.911(3) 4_565 ? Ag3 Ag4 3.042(3) 4_565 ? Ag3 Ag4 3.042(3) . ? Ag3 Ag6 3.044(3) 4_565 ? Ag3 Ag6 3.044(3) . ? Ag4 C211 2.17(3) . ? Ag4 C411 2.20(3) . ? Ag4 O32 2.46(2) . ? Ag4 Ag5 2.963(3) . ? Ag4 Ag6 3.016(3) . ? Ag4 Ag7 3.116(3) . ? Ag5 C411 2.18(2) . ? Ag5 C411 2.18(2) 4_565 ? Ag5 Ag2 2.921(3) 4_565 ? Ag5 Ag4 2.963(3) 4_565 ? Ag5 Ag7 3.055(2) 4_565 ? Ag5 Ag7 3.055(2) . ? Ag6 C611 2.16(2) . ? Ag6 C211 2.27(2) . ? Ag6 C212 2.62(3) . ? Ag6 Ag11 2.886(3) . ? Ag6 Ag8 3.311(3) . ? Ag7 C111 2.22(2) . ? Ag7 C411 2.32(3) . ? Ag7 O31 2.56(3) . ? Ag7 C412 2.70(2) . ? Ag7 Ag10 2.955(2) . ? Ag7 Ag9 3.095(3) . ? Ag8 C311 2.21(2) . ? Ag8 C611 2.22(2) . ? Ag8 C612 2.63(2) . ? Ag8 Ag12 2.976(3) . ? Ag8 Ag9 3.024(3) . ? Ag8 Ag11 3.108(3) . ? Ag9 C311 2.15(2) . ? Ag9 C111 2.27(2) . ? Ag9 C112 2.55(3) . ? Ag9 Ag12 3.060(3) . ? Ag9 Ag10 3.187(3) . ? Ag10 C111 2.08(2) . ? Ag10 C111 2.08(2) 4_565 ? Ag10 Ag7 2.955(2) 4_565 ? Ag10 Ag9 3.187(3) 4_565 ? Ag11 C611 2.11(3) . ? Ag11 C611 2.11(3) 4_565 ? Ag11 O41 2.47(4) . ? Ag11 Ag6 2.886(3) 4_565 ? Ag11 Ag8 3.108(3) 4_565 ? Ag12 C311 2.11(3) . ? Ag12 C311 2.11(3) 4_565 ? Ag12 Ag8 2.976(3) 4_565 ? Ag12 Ag9 3.060(3) 4_565 ? O11 C11 1.27(3) . ? O12 C11 1.15(3) . ? C11 C12 1.54(3) . ? C12 F11 1.27(4) . ? C12 F13 1.27(4) . ? C12 F12 1.29(3) . ? O21 C21 1.22(2) . ? C21 O21 1.22(2) 4_565 ? C21 C22 1.59(5) . ? C22 F22 1.30(3) . ? C22 F22 1.30(3) 4_565 ? C22 F21 1.33(5) . ? O31 C31 1.143(18) . ? O32 C31 1.207(18) . ? C31 C32 1.459(18) . ? C32 F32 1.259(19) . ? C32 F33 1.283(19) . ? C32 F31 1.305(19) . ? O41 C41 1.204(19) . ? O42 C41 1.233(19) . ? C41 C42 1.51(2) . ? C42 F41 1.315(13) 4_565 ? C42 F41 1.315(13) . ? C42 F42 1.332(14) . ? O51 C51 1.19(2) . ? C51 O51 1.19(2) 4_565 ? C51 C52 1.55(5) . ? C52 F52 1.26(2) . ? C52 F52 1.26(2) 4_565 ? C52 F51 1.27(3) . ? C111 C112 1.24(3) . ? C112 C113 1.46(3) . ? C113 C114 1.48(5) . ? C113 C115 1.49(4) . ? C113 C116 1.54(4) . ? C211 C212 1.19(3) . ? C212 C213 1.50(3) . ? C213 C216 1.46(5) . ? C213 C215 1.50(5) . ? C213 C214 1.50(4) . ? C311 C312 1.24(3) . ? C312 C313 1.45(3) . ? C313 C315 1.48(4) . ? C313 C314 1.52(4) . ? C313 C316 1.55(4) . ? C411 C412 1.15(3) . ? C412 C413 1.46(3) . ? C413 C415 1.47(3) . ? C413 C416 1.53(3) . ? C413 C414 1.56(3) . ? C511 C512 1.15(4) . ? C511 Ag2 2.28(2) 4_565 ? C511 Ag1 2.35(2) 4_565 ? C512 C513 1.46(5) . ? C513 C514 1.52(4) 4_565 ? C513 C514 1.52(4) . ? C513 C515 1.53(4) . ? C611 C612 1.19(3) . ? C612 C613 1.46(4) . ? C613 C616 1.42(3) . ? C613 C614 1.43(3) . ? C613 C615 1.43(3) . ? 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 O11 Ag1 O51 102.5(7) . . ? O11 Ag1 C511 107.4(7) . . ? O51 Ag1 C511 112.5(8) . . ? O11 Ag1 C211 101.2(7) . . ? O51 Ag1 C211 91.1(9) . . ? C511 Ag1 C211 137.1(9) . . ? O11 Ag1 Ag3 146.9(5) . . ? O51 Ag1 Ag3 85.5(6) . . ? C511 Ag1 Ag3 98.6(6) . . ? C211 Ag1 Ag3 46.0(5) . . ? O11 Ag1 Ag2 81.8(4) . . ? O51 Ag1 Ag2 161.7(5) . . ? C511 Ag1 Ag2 49.7(6) . . ? C211 Ag1 Ag2 105.6(6) . . ? Ag3 Ag1 Ag2 100.65(10) . . ? O11 Ag1 Ag4 92.5(5) . . ? O51 Ag1 Ag4 136.1(6) . . ? C511 Ag1 Ag4 101.4(7) . . ? C211 Ag1 Ag4 45.2(6) . . ? Ag3 Ag1 Ag4 61.88(8) . . ? Ag2 Ag1 Ag4 60.44(6) . . ? O11 Ag1 Ag1 153.8(5) . 4_565 ? O51 Ag1 Ag1 79.2(5) . 4_565 ? C511 Ag1 Ag1 50.2(5) . 4_565 ? C211 Ag1 Ag1 104.8(5) . 4_565 ? Ag3 Ag1 Ag1 58.89(4) . 4_565 ? Ag2 Ag1 Ag1 89.15(4) . 4_565 ? Ag4 Ag1 Ag1 104.25(5) . 4_565 ? C511 Ag2 O12 112.0(6) . . ? C511 Ag2 O21 111.3(8) . . ? O12 Ag2 O21 102.5(7) . . ? C511 Ag2 C411 139.9(10) . . ? O12 Ag2 C411 93.1(7) . . ? O21 Ag2 C411 91.9(9) . . ? C511 Ag2 Ag5 99.4(6) . . ? O12 Ag2 Ag5 137.9(5) . . ? O21 Ag2 Ag5 90.8(5) . . ? C411 Ag2 Ag5 46.2(6) . . ? C511 Ag2 Ag2 50.1(5) . 4_565 ? O12 Ag2 Ag2 160.7(5) . 4_565 ? O21 Ag2 Ag2 81.3(4) . 4_565 ? C411 Ag2 Ag2 105.7(5) . 4_565 ? Ag5 Ag2 Ag2 60.00(4) . 4_565 ? C511 Ag2 Ag1 51.9(7) . . ? O12 Ag2 Ag1 79.5(5) . . ? O21 Ag2 Ag1 160.9(5) . . ? C411 Ag2 Ag1 107.1(8) . . ? Ag5 Ag2 Ag1 100.39(8) . . ? Ag2 Ag2 Ag1 90.85(4) 4_565 . ? C511 Ag2 Ag4 103.7(8) . . ? O12 Ag2 Ag4 84.8(6) . . ? O21 Ag2 Ag4 137.8(5) . . ? C411 Ag2 Ag4 46.0(8) . . ? Ag5 Ag2 Ag4 60.23(7) . . ? Ag2 Ag2 Ag4 105.21(5) 4_565 . ? Ag1 Ag2 Ag4 61.10(6) . . ? C211 Ag3 C211 172.2(15) . 4_565 ? C211 Ag3 Ag1 57.0(6) . . ? C211 Ag3 Ag1 119.1(6) 4_565 . ? C211 Ag3 Ag1 119.1(6) . 4_565 ? C211 Ag3 Ag1 57.0(6) 4_565 4_565 ? Ag1 Ag3 Ag1 62.21(9) . 4_565 ? C211 Ag3 Ag4 140.4(7) . 4_565 ? C211 Ag3 Ag4 45.5(7) 4_565 4_565 ? Ag1 Ag3 Ag4 105.69(12) . 4_565 ? Ag1 Ag3 Ag4 60.56(7) 4_565 4_565 ? C211 Ag3 Ag4 45.5(7) . . ? C211 Ag3 Ag4 140.4(7) 4_565 . ? Ag1 Ag3 Ag4 60.56(7) . . ? Ag1 Ag3 Ag4 105.69(12) 4_565 . ? Ag4 Ag3 Ag4 95.04(13) 4_565 . ? C211 Ag3 Ag6 137.0(6) . 4_565 ? C211 Ag3 Ag6 48.1(6) 4_565 4_565 ? Ag1 Ag3 Ag6 164.44(12) . 4_565 ? Ag1 Ag3 Ag6 103.81(5) 4_565 4_565 ? Ag4 Ag3 Ag6 59.42(8) 4_565 4_565 ? Ag4 Ag3 Ag6 121.71(13) . 4_565 ? C211 Ag3 Ag6 48.1(6) . . ? C211 Ag3 Ag6 137.0(6) 4_565 . ? Ag1 Ag3 Ag6 103.81(5) . . ? Ag1 Ag3 Ag6 164.44(12) 4_565 . ? Ag4 Ag3 Ag6 121.71(13) 4_565 . ? Ag4 Ag3 Ag6 59.42(8) . . ? Ag6 Ag3 Ag6 89.06(11) 4_565 . ? C211 Ag4 C411 170.6(9) . . ? C211 Ag4 O32 86.5(9) . . ? C411 Ag4 O32 102.5(9) . . ? C211 Ag4 Ag5 128.0(6) . . ? C411 Ag4 Ag5 47.1(6) . . ? O32 Ag4 Ag5 131.3(6) . . ? C211 Ag4 Ag2 113.6(6) . . ? C411 Ag4 Ag2 57.2(7) . . ? O32 Ag4 Ag2 144.6(8) . . ? Ag5 Ag4 Ag2 58.83(7) . . ? C211 Ag4 Ag1 55.1(6) . . ? C411 Ag4 Ag1 115.7(7) . . ? O32 Ag4 Ag1 131.0(6) . . ? Ag5 Ag4 Ag1 97.61(8) . . ? Ag2 Ag4 Ag1 58.46(6) . . ? C211 Ag4 Ag6 48.6(6) . . ? C411 Ag4 Ag6 139.4(7) . . ? O32 Ag4 Ag6 57.6(7) . . ? Ag5 Ag4 Ag6 116.53(10) . . ? Ag2 Ag4 Ag6 156.48(10) . . ? Ag1 Ag4 Ag6 102.28(9) . . ? C211 Ag4 Ag3 45.0(6) . . ? C411 Ag4 Ag3 130.1(6) . . ? O32 Ag4 Ag3 117.5(7) . . ? Ag5 Ag4 Ag3 83.25(9) . . ? Ag2 Ag4 Ag3 96.36(9) . . ? Ag1 Ag4 Ag3 57.56(7) . . ? Ag6 Ag4 Ag3 60.33(8) . . ? C211 Ag4 Ag7 139.8(6) . . ? C411 Ag4 Ag7 48.0(7) . . ? O32 Ag4 Ag7 71.2(6) . . ? Ag5 Ag4 Ag7 60.27(7) . . ? Ag2 Ag4 Ag7 103.35(8) . . ? Ag1 Ag4 Ag7 157.68(9) . . ? Ag6 Ag4 Ag7 91.45(9) . . ? Ag3 Ag4 Ag7 117.69(10) . . ? C411 Ag5 C411 164.8(19) . 4_565 ? C411 Ag5 Ag2 58.6(6) . . ? C411 Ag5 Ag2 118.0(7) 4_565 . ? C411 Ag5 Ag2 118.0(7) . 4_565 ? C411 Ag5 Ag2 58.6(6) 4_565 4_565 ? Ag2 Ag5 Ag2 60.01(8) . 4_565 ? C411 Ag5 Ag4 47.8(8) . . ? C411 Ag5 Ag4 146.0(8) 4_565 . ? Ag2 Ag5 Ag4 60.94(6) . . ? Ag2 Ag5 Ag4 105.75(9) 4_565 . ? C411 Ag5 Ag4 146.0(8) . 4_565 ? C411 Ag5 Ag4 47.8(8) 4_565 4_565 ? Ag2 Ag5 Ag4 105.75(9) . 4_565 ? Ag2 Ag5 Ag4 60.94(6) 4_565 4_565 ? Ag4 Ag5 Ag4 98.41(12) . 4_565 ? C411 Ag5 Ag7 135.2(6) . 4_565 ? C411 Ag5 Ag7 49.2(7) 4_565 4_565 ? Ag2 Ag5 Ag7 166.15(7) . 4_565 ? Ag2 Ag5 Ag7 106.43(5) 4_565 4_565 ? Ag4 Ag5 Ag7 125.29(11) . 4_565 ? Ag4 Ag5 Ag7 62.35(6) 4_565 4_565 ? C411 Ag5 Ag7 49.2(7) . . ? C411 Ag5 Ag7 135.2(6) 4_565 . ? Ag2 Ag5 Ag7 106.43(5) . . ? Ag2 Ag5 Ag7 166.15(7) 4_565 . ? Ag4 Ag5 Ag7 62.35(6) . . ? Ag4 Ag5 Ag7 125.29(11) 4_565 . ? Ag7 Ag5 Ag7 86.95(9) 4_565 . ? C611 Ag6 C211 157.4(10) . . ? C611 Ag6 C212 134.8(8) . . ? C211 Ag6 C212 26.9(8) . . ? C611 Ag6 Ag11 46.8(7) . . ? C211 Ag6 Ag11 128.5(6) . . ? C212 Ag6 Ag11 135.1(6) . . ? C611 Ag6 Ag4 156.8(7) . . ? C211 Ag6 Ag4 45.8(7) . . ? C212 Ag6 Ag4 66.1(6) . . ? Ag11 Ag6 Ag4 130.30(11) . . ? C611 Ag6 Ag3 131.3(7) . . ? C211 Ag6 Ag3 44.9(6) . . ? C212 Ag6 Ag3 66.7(5) . . ? Ag11 Ag6 Ag3 86.05(8) . . ? Ag4 Ag6 Ag3 60.25(9) . . ? C611 Ag6 Ag8 41.6(7) . . ? C211 Ag6 Ag8 161.0(7) . . ? C212 Ag6 Ag8 161.4(5) . . ? Ag11 Ag6 Ag8 59.73(7) . . ? Ag4 Ag6 Ag8 115.24(12) . . ? Ag3 Ag6 Ag8 131.13(10) . . ? C111 Ag7 C411 139.4(10) . . ? C111 Ag7 O31 92.9(8) . . ? C411 Ag7 O31 114.8(9) . . ? C111 Ag7 C412 119.1(7) . . ? C411 Ag7 C412 25.0(8) . . ? O31 Ag7 C412 110.7(8) . . ? C111 Ag7 Ag10 44.5(6) . . ? C411 Ag7 Ag10 123.4(7) . . ? O31 Ag7 Ag10 121.5(6) . . ? C412 Ag7 Ag10 124.0(5) . . ? C111 Ag7 Ag5 126.4(5) . . ? C411 Ag7 Ag5 45.3(6) . . ? O31 Ag7 Ag5 138.0(6) . . ? C412 Ag7 Ag5 66.0(5) . . ? Ag10 Ag7 Ag5 86.22(7) . . ? C111 Ag7 Ag9 47.0(5) . . ? C411 Ag7 Ag9 172.5(7) . . ? O31 Ag7 Ag9 58.0(6) . . ? C412 Ag7 Ag9 155.7(5) . . ? Ag10 Ag7 Ag9 63.53(7) . . ? Ag5 Ag7 Ag9 137.61(9) . . ? C111 Ag7 Ag4 175.3(5) . . ? C411 Ag7 Ag4 44.9(8) . . ? O31 Ag7 Ag4 82.8(6) . . ? C412 Ag7 Ag4 64.4(5) . . ? Ag10 Ag7 Ag4 137.08(9) . . ? Ag5 Ag7 Ag4 57.38(7) . . ? Ag9 Ag7 Ag4 128.52(9) . . ? C311 Ag8 C611 165.5(8) . . ? C311 Ag8 C612 142.0(8) . . ? C611 Ag8 C612 26.7(7) . . ? C311 Ag8 Ag12 45.1(7) . . ? C611 Ag8 Ag12 133.0(7) . . ? C612 Ag8 Ag12 141.5(5) . . ? C311 Ag8 Ag9 45.2(6) . . ? C611 Ag8 Ag9 149.4(6) . . ? C612 Ag8 Ag9 156.9(5) . . ? Ag12 Ag8 Ag9 61.34(7) . . ? C311 Ag8 Ag11 136.1(7) . . ? C611 Ag8 Ag11 42.8(6) . . ? C612 Ag8 Ag11 65.1(5) . . ? Ag12 Ag8 Ag11 91.56(7) . . ? Ag9 Ag8 Ag11 128.52(11) . . ? C311 Ag8 Ag6 154.3(6) . . ? C611 Ag8 Ag6 40.2(6) . . ? C612 Ag8 Ag6 61.4(5) . . ? Ag12 Ag8 Ag6 128.96(10) . . ? Ag9 Ag8 Ag6 109.23(11) . . ? Ag11 Ag8 Ag6 53.31(7) . . ? C311 Ag9 C111 168.5(9) . . ? C311 Ag9 C112 151.9(9) . . ? C111 Ag9 C112 29.0(8) . . ? C311 Ag9 Ag8 46.9(7) . . ? C111 Ag9 Ag8 140.4(5) . . ? C112 Ag9 Ag8 151.2(5) . . ? C311 Ag9 Ag12 43.6(7) . . ? C111 Ag9 Ag12 128.0(6) . . ? C112 Ag9 Ag12 148.1(5) . . ? Ag8 Ag9 Ag12 58.57(7) . . ? C311 Ag9 Ag7 141.6(7) . . ? C111 Ag9 Ag7 45.8(5) . . ? C112 Ag9 Ag7 64.4(5) . . ? Ag8 Ag9 Ag7 95.03(9) . . ? Ag12 Ag9 Ag7 118.44(10) . . ? C311 Ag9 Ag10 131.2(7) . . ? C111 Ag9 Ag10 40.5(5) . . ? C112 Ag9 Ag10 67.3(5) . . ? Ag8 Ag9 Ag10 119.32(10) . . ? Ag12 Ag9 Ag10 87.83(8) . . ? Ag7 Ag9 Ag10 56.09(6) . . ? C111 Ag10 C111 172.1(12) . 4_565 ? C111 Ag10 Ag7 48.6(6) . . ? C111 Ag10 Ag7 139.3(6) 4_565 . ? C111 Ag10 Ag7 139.3(6) . 4_565 ? C111 Ag10 Ag7 48.6(6) 4_565 4_565 ? Ag7 Ag10 Ag7 90.70(10) . 4_565 ? C111 Ag10 Ag9 45.1(6) . . ? C111 Ag10 Ag9 134.6(6) 4_565 . ? Ag7 Ag10 Ag9 60.37(6) . . ? Ag7 Ag10 Ag9 120.63(10) 4_565 . ? C111 Ag10 Ag9 134.6(6) . 4_565 ? C111 Ag10 Ag9 45.1(6) 4_565 4_565 ? Ag7 Ag10 Ag9 120.63(10) . 4_565 ? Ag7 Ag10 Ag9 60.37(6) 4_565 4_565 ? Ag9 Ag10 Ag9 89.75(10) . 4_565 ? C611 Ag11 C611 168.2(11) . 4_565 ? C611 Ag11 O41 93.7(6) . . ? C611 Ag11 O41 93.7(6) 4_565 . ? C611 Ag11 Ag6 48.2(6) . . ? C611 Ag11 Ag6 143.6(6) 4_565 . ? O41 Ag11 Ag6 67.7(5) . . ? C611 Ag11 Ag6 143.6(6) . 4_565 ? C611 Ag11 Ag6 48.2(6) 4_565 4_565 ? O41 Ag11 Ag6 67.7(5) . 4_565 ? Ag6 Ag11 Ag6 95.43(12) . 4_565 ? C611 Ag11 Ag8 130.8(6) . 4_565 ? C611 Ag11 Ag8 45.6(7) 4_565 4_565 ? O41 Ag11 Ag8 133.1(3) . 4_565 ? Ag6 Ag11 Ag8 128.00(13) . 4_565 ? Ag6 Ag11 Ag8 66.96(8) 4_565 4_565 ? C611 Ag11 Ag8 45.6(7) . . ? C611 Ag11 Ag8 130.8(6) 4_565 . ? O41 Ag11 Ag8 133.1(3) . . ? Ag6 Ag11 Ag8 66.96(8) . . ? Ag6 Ag11 Ag8 128.00(13) 4_565 . ? Ag8 Ag11 Ag8 85.78(10) 4_565 . ? C311 Ag12 C311 172.8(12) . 4_565 ? C311 Ag12 Ag8 47.9(7) . . ? C311 Ag12 Ag8 138.4(7) 4_565 . ? C311 Ag12 Ag8 138.4(7) . 4_565 ? C311 Ag12 Ag8 47.9(7) 4_565 4_565 ? Ag8 Ag12 Ag8 90.59(11) . 4_565 ? C311 Ag12 Ag9 44.5(6) . . ? C311 Ag12 Ag9 138.8(6) 4_565 . ? Ag8 Ag12 Ag9 60.10(7) . . ? Ag8 Ag12 Ag9 123.09(11) 4_565 . ? C311 Ag12 Ag9 138.8(6) . 4_565 ? C311 Ag12 Ag9 44.5(6) 4_565 4_565 ? Ag8 Ag12 Ag9 123.09(11) . 4_565 ? Ag8 Ag12 Ag9 60.10(7) 4_565 4_565 ? Ag9 Ag12 Ag9 94.58(11) . 4_565 ? C11 O11 Ag1 121.2(15) . . ? C11 O12 Ag2 125.4(17) . . ? O12 C11 O11 130(2) . . ? O12 C11 C12 117(3) . . ? O11 C11 C12 113(2) . . ? F11 C12 F13 102(3) . . ? F11 C12 F12 102(3) . . ? F13 C12 F12 108(3) . . ? F11 C12 C11 114(3) . . ? F13 C12 C11 114(2) . . ? F12 C12 C11 114(2) . . ? C21 O21 Ag2 122.6(17) . . ? O21 C21 O21 132(3) . 4_565 ? O21 C21 C22 114.0(15) . . ? O21 C21 C22 114.0(15) 4_565 . ? F22 C22 F22 106(4) . 4_565 ? F22 C22 F21 110(3) . . ? F22 C22 F21 110(3) 4_565 . ? F22 C22 C21 112(2) . . ? F22 C22 C21 112(2) 4_565 . ? F21 C22 C21 108(4) . . ? C31 O31 Ag7 116.4(19) . . ? C31 O32 Ag4 140(2) . . ? O31 C31 O32 121(2) . . ? O31 C31 C32 122.8(18) . . ? O32 C31 C32 116.1(17) . . ? F32 C32 F33 98.8(15) . . ? F32 C32 F31 97.0(15) . . ? F33 C32 F31 96.2(14) . . ? F32 C32 C31 122.5(16) . . ? F33 C32 C31 119.1(16) . . ? F31 C32 C31 118.0(17) . . ? C41 O41 Ag11 172(3) . . ? O41 C41 O42 126(3) . . ? O41 C41 C42 119(2) . . ? O42 C41 C42 115(2) . . ? F41 C42 F41 92.9(17) 4_565 . ? F41 C42 F42 92.3(12) 4_565 . ? F41 C42 F42 92.3(12) . . ? F41 C42 C41 124.4(10) 4_565 . ? F41 C42 C41 124.4(10) . . ? F42 C42 C41 121.7(17) . . ? C51 O51 Ag1 126(2) . . ? O51 C51 O51 129(4) . 4_565 ? O51 C51 C52 115(2) . . ? O51 C51 C52 115(2) 4_565 . ? F52 C52 F52 110(4) . 4_565 ? F52 C52 F51 102(3) . . ? F52 C52 F51 102(3) 4_565 . ? F52 C52 C51 115(3) . . ? F52 C52 C51 115(3) 4_565 . ? F51 C52 C51 110(4) . . ? C112 C111 Ag10 152.5(19) . . ? C112 C111 Ag7 120.7(18) . . ? Ag10 C111 Ag7 86.9(7) . . ? C112 C111 Ag9 88.5(17) . . ? Ag10 C111 Ag9 94.4(8) . . ? Ag7 C111 Ag9 87.2(7) . . ? C111 C112 C113 173(3) . . ? C111 C112 Ag9 62.5(15) . . ? C113 C112 Ag9 124(2) . . ? C112 C113 C114 109(3) . . ? C112 C113 C115 113(2) . . ? C114 C113 C115 115(3) . . ? C112 C113 C116 109(2) . . ? C114 C113 C116 99(3) . . ? C115 C113 C116 110(3) . . ? C212 C211 Ag3 138(2) . . ? C212 C211 Ag4 132(2) . . ? Ag3 C211 Ag4 89.6(9) . . ? C212 C211 Ag6 93.3(17) . . ? Ag3 C211 Ag6 87.1(8) . . ? Ag4 C211 Ag6 85.7(10) . . ? C212 C211 Ag1 108.4(19) . . ? Ag3 C211 Ag1 77.0(7) . . ? Ag4 C211 Ag1 79.6(7) . . ? Ag6 C211 Ag1 158.3(11) . . ? C211 C212 C213 171(3) . . ? C211 C212 Ag6 59.8(16) . . ? C213 C212 Ag6 127.1(17) . . ? C216 C213 C212 112(3) . . ? C216 C213 C215 108(3) . . ? C212 C213 C215 111(2) . . ? C216 C213 C214 103(3) . . ? C212 C213 C214 108(2) . . ? C215 C213 C214 115(3) . . ? C312 C311 Ag12 145(2) . . ? C312 C311 Ag9 113(2) . . ? Ag12 C311 Ag9 92.0(9) . . ? C312 C311 Ag8 117.0(19) . . ? Ag12 C311 Ag8 87.1(9) . . ? Ag9 C311 Ag8 87.9(8) . . ? C311 C312 C313 178(2) . . ? C312 C313 C315 106(2) . . ? C312 C313 C314 109(2) . . ? C315 C313 C314 114(3) . . ? C312 C313 C316 109(2) . . ? C315 C313 C316 108(3) . . ? C314 C313 C316 110(3) . . ? C412 C411 Ag5 140(2) . . ? C412 C411 Ag4 135(2) . . ? Ag5 C411 Ag4 85.1(11) . . ? C412 C411 Ag7 96.4(17) . . ? Ag5 C411 Ag7 85.5(10) . . ? Ag4 C411 Ag7 87.1(13) . . ? C412 C411 Ag2 108(2) . . ? Ag5 C411 Ag2 75.2(7) . . ? Ag4 C411 Ag2 76.8(7) . . ? Ag7 C411 Ag2 155.7(14) . . ? C411 C412 C413 177(3) . . ? C411 C412 Ag7 58.6(17) . . ? C413 C412 Ag7 123.9(15) . . ? C412 C413 C415 112(2) . . ? C412 C413 C416 108(2) . . ? C415 C413 C416 109(2) . . ? C412 C413 C414 109(2) . . ? C415 C413 C414 110(2) . . ? C416 C413 C414 109(2) . . ? C512 C511 Ag2 126.7(18) . 4_565 ? C512 C511 Ag2 126.7(18) . . ? Ag2 C511 Ag2 79.8(9) 4_565 . ? C512 C511 Ag1 104(2) . 4_565 ? Ag2 C511 Ag1 78.4(6) 4_565 4_565 ? Ag2 C511 Ag1 128.4(14) . 4_565 ? C512 C511 Ag1 104(2) . . ? Ag2 C511 Ag1 128.4(14) 4_565 . ? Ag2 C511 Ag1 78.4(6) . . ? Ag1 C511 Ag1 79.7(10) 4_565 . ? C511 C512 C513 174(4) . . ? C512 C513 C514 111(2) . 4_565 ? C512 C513 C514 111(2) . . ? C514 C513 C514 108(5) 4_565 . ? C512 C513 C515 124(4) . . ? C514 C513 C515 100(3) 4_565 . ? C514 C513 C515 100(3) . . ? C612 C611 Ag11 139(2) . . ? C612 C611 Ag6 133(2) . . ? Ag11 C611 Ag6 85.0(8) . . ? C612 C611 Ag8 96.3(17) . . ? Ag11 C611 Ag8 91.6(9) . . ? Ag6 C611 Ag8 98.3(10) . . ? C611 C612 C613 175(3) . . ? C611 C612 Ag8 57.0(14) . . ? C613 C612 Ag8 127.8(18) . . ? C616 C613 C614 126(4) . . ? C616 C613 C615 101(4) . . ? C614 C613 C615 94(4) . . ? C616 C613 C612 112(3) . . ? C614 C613 C612 112(3) . . ? C615 C613 C612 106(3) . . ? _diffrn_measured_fraction_theta_max 0.964 _diffrn_reflns_theta_full 62.27 _diffrn_measured_fraction_theta_full 0.964 _refine_diff_density_max 3.122 _refine_diff_density_min -2.329 _refine_diff_density_rms 0.278 #====================================END data_2 _database_code_depnum_ccdc_archive 'CCDC 689648' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C24 H41 Ag4 F9 N4 O6' _chemical_formula_weight 1084.09 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/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 14.38570(10) _cell_length_b 18.6977(2) _cell_length_c 14.72570(10) _cell_angle_alpha 90.00 _cell_angle_beta 111.6740(10) _cell_angle_gamma 90.00 _cell_volume 3680.88(5) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description needle-like _exptl_crystal_colour colorless _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.956 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2120 _exptl_absorpt_coefficient_mu 17.603 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.2265 _exptl_absorpt_correction_T_max 0.5395 _exptl_absorpt_process_details ; CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET) (compiled Apr 27 2007,17:53:11) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'Enhance (Cu) X-ray Source' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Oxford Gemini S Ultra' _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 16774 _diffrn_reflns_av_R_equivalents 0.0274 _diffrn_reflns_av_sigmaI/netI 0.0390 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 4.06 _diffrn_reflns_theta_max 62.36 _reflns_number_total 5727 _reflns_number_gt 4364 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CrysAlis CCD, Oxford Diffraction Ltd.' _computing_cell_refinement 'CrysAlis RED, Oxford Diffraction Ltd.' _computing_data_reduction 'CrysAlis RED, Oxford Diffraction Ltd.' _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^)+(0.0262P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5727 _refine_ls_number_parameters 451 _refine_ls_number_restraints 78 _refine_ls_R_factor_all 0.0315 _refine_ls_R_factor_gt 0.0223 _refine_ls_wR_factor_ref 0.0482 _refine_ls_wR_factor_gt 0.0464 _refine_ls_goodness_of_fit_ref 0.878 _refine_ls_restrained_S_all 0.888 _refine_ls_shift/su_max 0.005 _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 0.37328(2) 0.237700(15) 0.974115(19) 0.02557(7) Uani 1 1 d . . . Ag2 Ag 0.40269(2) 0.266009(16) 1.175183(19) 0.02846(8) Uani 1 1 d . . . Ag3 Ag 0.25223(2) 0.166917(15) 1.05750(2) 0.02630(7) Uani 1 1 d . . . Ag4 Ag 0.12728(2) 0.254428(16) 0.884353(19) 0.03147(8) Uani 1 1 d . . . O11 O -0.1707(2) 0.2725(2) 0.7829(2) 0.0631(11) Uani 1 1 d . . . O12 O -0.0268(2) 0.27343(19) 0.9113(2) 0.0478(8) Uani 1 1 d . . . C11 C -0.1175(3) 0.2771(2) 0.8696(3) 0.0383(11) Uani 1 1 d . . . C12 C -0.1766(4) 0.2912(3) 0.9358(3) 0.0654(17) Uani 1 1 d DU . . F11 F -0.1265(6) 0.2836(8) 1.0276(4) 0.116(4) Uani 0.67 1 d PDU . . F12 F -0.2535(5) 0.2452(5) 0.9159(6) 0.107(2) Uani 0.67 1 d PDU . . F13 F -0.2215(8) 0.3533(4) 0.9181(9) 0.108(4) Uani 0.67 1 d PDU . . F11' F -0.1877(18) 0.2342(7) 0.9805(16) 0.130(6) Uani 0.33 1 d PDU . . F12' F -0.2590(11) 0.3248(13) 0.8964(14) 0.103(7) Uani 0.33 1 d PDU . . F13' F -0.1300(13) 0.3367(11) 1.0083(12) 0.122(6) Uani 0.33 1 d PDU . . O21 O 0.4820(2) 0.37398(17) 1.2346(2) 0.0505(8) Uani 1 1 d . . . O22 O 0.6410(2) 0.36290(16) 1.3371(2) 0.0409(7) Uani 1 1 d . . . C21 C 0.5677(3) 0.3946(2) 1.2801(3) 0.0316(9) Uani 1 1 d . . . C22 C 0.5873(3) 0.4734(2) 1.2637(3) 0.0354(10) Uani 1 1 d . . . F21 F 0.6202(2) 0.51042(15) 1.34729(19) 0.0689(9) Uani 1 1 d . . . F22 F 0.6544(2) 0.48025(16) 1.2230(2) 0.0703(9) Uani 1 1 d . . . F23 F 0.5068(2) 0.50882(14) 1.2067(2) 0.0585(8) Uani 1 1 d . . . O31 O 0.0145(2) 0.34471(15) 0.57046(18) 0.0365(7) Uani 1 1 d . . . O32 O 0.0553(2) 0.29889(15) 0.72076(18) 0.0342(6) Uani 1 1 d . . . C31 C 0.0678(3) 0.3379(2) 0.6579(3) 0.0259(8) Uani 1 1 d . . . C32 C 0.1599(3) 0.3866(2) 0.6912(3) 0.0356(10) Uani 1 1 d . . . F31 F 0.1327(2) 0.45454(14) 0.6857(2) 0.0724(10) Uani 1 1 d . . . F32 F 0.21440(19) 0.37833(17) 0.6363(2) 0.0597(8) Uani 1 1 d . . . F33 F 0.22166(18) 0.37500(15) 0.78330(17) 0.0527(7) Uani 1 1 d . . . C1 C 0.2619(3) 0.2803(2) 1.0278(3) 0.0242(8) Uani 1 1 d . . . C2 C 0.2213(3) 0.3359(2) 1.0292(3) 0.0290(9) Uani 1 1 d . . . C3 C 0.1785(3) 0.4057(2) 1.0451(3) 0.0443(12) Uani 1 1 d . . . C4 C 0.1160(5) 0.3914(3) 1.1082(4) 0.084(2) Uani 1 1 d . . . H4A H 0.1589 0.3713 1.1712 0.125 Uiso 1 1 calc R . . H4B H 0.0624 0.3574 1.0745 0.125 Uiso 1 1 calc R . . H4C H 0.0866 0.4364 1.1190 0.125 Uiso 1 1 calc R . . C5 C 0.2625(4) 0.4569(3) 1.0960(5) 0.091(2) Uani 1 1 d . . . H5A H 0.3013 0.4657 1.0546 0.136 Uiso 1 1 calc R . . H5B H 0.3062 0.4362 1.1582 0.136 Uiso 1 1 calc R . . H5C H 0.2348 0.5021 1.1082 0.136 Uiso 1 1 calc R . . C6 C 0.1095(4) 0.4369(3) 0.9481(4) 0.0720(18) Uani 1 1 d . . . H6A H 0.1481 0.4472 0.9070 0.108 Uiso 1 1 calc R . . H6B H 0.0795 0.4812 0.9601 0.108 Uiso 1 1 calc R . . H6C H 0.0566 0.4024 0.9149 0.108 Uiso 1 1 calc R . . N1 N 0.3046(2) 0.05342(18) 1.1116(2) 0.0327(8) Uani 1 1 d . . . N2 N 0.1115(2) 0.12381(18) 1.0917(2) 0.0308(8) Uani 1 1 d . . . N3 N 0.4026(2) 0.19540(17) 0.8385(2) 0.0274(7) Uani 1 1 d . . . N4 N 0.4950(2) 0.32341(17) 0.9649(2) 0.0281(7) Uani 1 1 d . . . C101 C 0.3829(3) 0.0552(3) 1.2102(3) 0.0462(12) Uani 1 1 d . . . H10A H 0.4042 0.0063 1.2320 0.069 Uiso 1 1 calc R . . H10B H 0.3564 0.0778 1.2556 0.069 Uiso 1 1 calc R . . H10C H 0.4403 0.0827 1.2087 0.069 Uiso 1 1 calc R . . C102 C 0.3443(3) 0.0159(2) 1.0450(3) 0.0451(11) Uani 1 1 d . . . H10D H 0.3661 -0.0323 1.0701 0.068 Uiso 1 1 calc R . . H10E H 0.4013 0.0427 1.0411 0.068 Uiso 1 1 calc R . . H10F H 0.2919 0.0125 0.9798 0.068 Uiso 1 1 calc R . . C103 C 0.2150(3) 0.0151(2) 1.1132(3) 0.0381(10) Uani 1 1 d . . . H10G H 0.2365 -0.0285 1.1537 0.046 Uiso 1 1 calc R . . H10H H 0.1734 0.0000 1.0460 0.046 Uiso 1 1 calc R . . C104 C 0.1529(3) 0.0610(2) 1.1537(3) 0.0405(11) Uani 1 1 d . . . H10I H 0.0973 0.0321 1.1587 0.049 Uiso 1 1 calc R . . H10J H 0.1949 0.0772 1.2203 0.049 Uiso 1 1 calc R . . C105 C 0.0252(3) 0.1036(2) 1.0045(3) 0.0388(10) Uani 1 1 d . . . H10K H -0.0290 0.0866 1.0242 0.058 Uiso 1 1 calc R . . H10L H 0.0447 0.0655 0.9694 0.058 Uiso 1 1 calc R . . H10M H 0.0023 0.1453 0.9616 0.058 Uiso 1 1 calc R . . C106 C 0.0798(3) 0.1786(3) 1.1457(3) 0.0449(11) Uani 1 1 d . . . H10N H 0.0223 0.1609 1.1597 0.067 Uiso 1 1 calc R . . H10O H 0.0608 0.2222 1.1062 0.067 Uiso 1 1 calc R . . H10P H 0.1351 0.1892 1.2072 0.067 Uiso 1 1 calc R . . C201 C 0.3202(3) 0.2130(2) 0.7467(3) 0.0386(11) Uani 1 1 d . . . H20A H 0.3353 0.1943 0.6915 0.058 Uiso 1 1 calc R . . H20B H 0.3122 0.2650 0.7406 0.058 Uiso 1 1 calc R . . H20C H 0.2581 0.1913 0.7467 0.058 Uiso 1 1 calc R . . C202 C 0.4166(3) 0.1176(2) 0.8423(3) 0.0408(11) Uani 1 1 d . . . H20D H 0.4287 0.1017 0.7842 0.061 Uiso 1 1 calc R . . H20E H 0.3563 0.0943 0.8442 0.061 Uiso 1 1 calc R . . H20F H 0.4740 0.1049 0.9011 0.061 Uiso 1 1 calc R . . C203 C 0.4956(3) 0.2308(2) 0.8442(3) 0.0324(9) Uani 1 1 d . . . H20G H 0.5049 0.2244 0.7813 0.039 Uiso 1 1 calc R . . H20H H 0.5527 0.2077 0.8959 0.039 Uiso 1 1 calc R . . C204 C 0.4958(3) 0.3102(2) 0.8662(3) 0.0338(10) Uani 1 1 d . . . H20I H 0.5560 0.3326 0.8610 0.041 Uiso 1 1 calc R . . H20J H 0.4363 0.3329 0.8170 0.041 Uiso 1 1 calc R . . C205 C 0.5948(3) 0.3136(2) 1.0403(3) 0.0367(10) Uani 1 1 d . . . H20K H 0.6403 0.3500 1.0324 0.055 Uiso 1 1 calc R . . H20L H 0.6200 0.2660 1.0339 0.055 Uiso 1 1 calc R . . H20M H 0.5909 0.3184 1.1050 0.055 Uiso 1 1 calc R . . C206 C 0.4608(3) 0.3968(2) 0.9731(3) 0.0392(10) Uani 1 1 d . . . H20N H 0.5104 0.4313 0.9692 0.059 Uiso 1 1 calc R . . H20O H 0.4525 0.4022 1.0359 0.059 Uiso 1 1 calc R . . H20P H 0.3966 0.4056 0.9198 0.059 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 0.02865(15) 0.02506(14) 0.02878(14) -0.00147(12) 0.01737(12) -0.00116(13) Ag2 0.02513(14) 0.03389(16) 0.02321(14) -0.00122(13) 0.00524(11) -0.00162(14) Ag3 0.02514(14) 0.02530(14) 0.02885(14) 0.00296(13) 0.01043(11) -0.00372(13) Ag4 0.03007(15) 0.03417(17) 0.02351(14) -0.00282(13) 0.00211(12) 0.00176(14) O11 0.0427(18) 0.113(3) 0.0324(18) -0.0022(19) 0.0124(15) 0.024(2) O12 0.0318(17) 0.068(2) 0.0469(18) -0.0039(17) 0.0183(15) 0.0079(16) C11 0.037(3) 0.046(3) 0.034(2) 0.003(2) 0.015(2) 0.009(2) C12 0.046(3) 0.113(5) 0.044(3) 0.009(3) 0.023(3) 0.024(4) F11 0.061(4) 0.265(11) 0.026(3) 0.022(5) 0.021(3) 0.059(6) F12 0.076(4) 0.161(7) 0.114(6) -0.007(5) 0.071(4) -0.029(5) F13 0.141(9) 0.094(5) 0.128(10) 0.001(5) 0.093(8) 0.052(6) F11' 0.142(14) 0.187(14) 0.112(12) 0.052(11) 0.106(10) 0.018(12) F12' 0.042(7) 0.216(19) 0.049(6) -0.002(12) 0.014(5) 0.060(11) F13' 0.100(10) 0.194(15) 0.074(10) -0.069(10) 0.036(9) 0.022(12) O21 0.0379(18) 0.0379(18) 0.060(2) -0.0026(16) 0.0000(16) -0.0095(16) O22 0.0341(16) 0.0363(17) 0.0461(17) 0.0107(15) 0.0076(14) 0.0035(15) C21 0.035(2) 0.034(2) 0.032(2) -0.001(2) 0.021(2) -0.001(2) C22 0.033(2) 0.036(2) 0.033(2) 0.004(2) 0.009(2) -0.002(2) F21 0.101(2) 0.0378(15) 0.0515(17) -0.0097(13) 0.0091(17) -0.0182(17) F22 0.070(2) 0.0558(19) 0.107(2) 0.0199(18) 0.059(2) -0.0071(16) F23 0.0530(17) 0.0429(16) 0.0684(18) 0.0217(14) 0.0092(15) 0.0037(14) O31 0.0390(16) 0.0362(17) 0.0273(15) 0.0045(13) 0.0040(13) -0.0069(14) O32 0.0332(15) 0.0379(16) 0.0274(14) 0.0066(13) 0.0063(12) -0.0062(14) C31 0.026(2) 0.022(2) 0.031(2) -0.0015(18) 0.0117(18) 0.0046(18) C32 0.030(2) 0.030(2) 0.039(2) 0.002(2) 0.005(2) -0.003(2) F31 0.0523(18) 0.0249(14) 0.116(3) -0.0012(16) 0.0024(17) -0.0090(14) F32 0.0431(15) 0.078(2) 0.0625(18) 0.0092(16) 0.0250(14) -0.0157(15) F33 0.0375(14) 0.0610(18) 0.0438(15) -0.0007(13) -0.0036(12) -0.0134(14) C1 0.0188(18) 0.027(2) 0.027(2) -0.0012(17) 0.0093(16) -0.0006(18) C2 0.0211(19) 0.035(2) 0.029(2) -0.0075(19) 0.0065(17) -0.0017(19) C3 0.037(2) 0.037(3) 0.050(3) -0.016(2) 0.005(2) 0.014(2) C4 0.092(5) 0.085(5) 0.086(4) -0.026(4) 0.046(4) 0.027(4) C5 0.059(4) 0.045(3) 0.133(6) -0.043(4) -0.006(4) 0.010(3) C6 0.078(4) 0.051(3) 0.065(3) -0.008(3) 0.001(3) 0.035(3) N1 0.0267(18) 0.0348(19) 0.0328(18) 0.0034(16) 0.0065(15) -0.0049(16) N2 0.0279(17) 0.0358(19) 0.0302(18) 0.0011(16) 0.0124(15) -0.0040(16) N3 0.0271(17) 0.0287(18) 0.0263(16) -0.0026(15) 0.0099(14) 0.0025(15) N4 0.0305(17) 0.0267(17) 0.0267(16) 0.0003(15) 0.0100(14) -0.0019(15) C101 0.034(2) 0.053(3) 0.039(2) 0.018(2) 0.000(2) -0.006(2) C102 0.042(3) 0.036(3) 0.059(3) -0.004(2) 0.021(2) 0.004(2) C103 0.034(2) 0.034(2) 0.042(2) 0.010(2) 0.009(2) -0.010(2) C104 0.037(2) 0.047(3) 0.039(2) 0.012(2) 0.016(2) -0.009(2) C105 0.030(2) 0.044(3) 0.040(2) 0.000(2) 0.010(2) -0.010(2) C106 0.039(2) 0.056(3) 0.045(3) -0.009(2) 0.022(2) -0.005(2) C201 0.038(2) 0.046(3) 0.028(2) -0.001(2) 0.0087(19) 0.004(2) C202 0.054(3) 0.031(2) 0.040(2) -0.003(2) 0.021(2) 0.009(2) C203 0.032(2) 0.043(2) 0.029(2) -0.0036(19) 0.0186(18) -0.002(2) C204 0.037(2) 0.042(3) 0.027(2) 0.0041(19) 0.0166(18) -0.010(2) C205 0.034(2) 0.042(3) 0.033(2) 0.000(2) 0.0103(19) -0.008(2) C206 0.047(3) 0.030(2) 0.037(2) -0.001(2) 0.010(2) -0.006(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 C1 2.182(4) . ? Ag1 N3 2.327(3) . ? Ag1 N4 2.415(3) . ? Ag1 O31 2.527(3) 4_666 ? Ag1 Ag3 2.8055(4) . ? Ag1 Ag2 2.8811(4) . ? Ag1 Ag4 3.3035(4) . ? Ag2 O11 2.320(3) 4_666 ? Ag2 O21 2.325(3) . ? Ag2 C1 2.374(4) . ? Ag2 O32 2.378(3) 4_666 ? Ag2 Ag3 2.8897(4) . ? Ag3 C1 2.179(4) . ? Ag3 N1 2.294(3) . ? Ag3 N2 2.398(3) . ? Ag3 Ag4 3.0040(4) . ? Ag4 C1 2.329(4) . ? Ag4 O22 2.331(3) 4_565 ? Ag4 O32 2.392(3) . ? Ag4 O12 2.418(3) . ? Ag4 C2 2.563(4) . ? O11 C11 1.226(5) . ? O11 Ag2 2.320(3) 4_565 ? O12 C11 1.222(5) . ? C11 C12 1.534(6) . ? C12 F12' 1.275(9) . ? C12 F11 1.284(7) . ? C12 F11' 1.294(9) . ? C12 F13 1.308(7) . ? C12 F13' 1.337(9) . ? C12 F12 1.344(7) . ? F11 F13' 1.030(18) . ? F11 F11' 1.287(19) . ? F12 F11' 1.09(2) . ? F12 F12' 1.51(2) . ? F13 F12' 0.74(2) . ? F13 F13' 1.518(19) . ? O21 C21 1.228(5) . ? O22 C21 1.231(5) . ? O22 Ag4 2.331(3) 4_666 ? C21 C22 1.537(6) . ? C22 F22 1.316(5) . ? C22 F23 1.329(5) . ? C22 F21 1.337(5) . ? O31 C31 1.238(4) . ? O31 Ag1 2.527(3) 4_565 ? O32 C31 1.243(4) . ? O32 Ag2 2.378(3) 4_565 ? C31 C32 1.532(5) . ? C32 F31 1.322(5) . ? C32 F32 1.326(5) . ? C32 F33 1.337(5) . ? C1 C2 1.197(5) . ? C2 C3 1.497(6) . ? C3 C5 1.507(7) . ? C3 C6 1.523(6) . ? C3 C4 1.537(7) . ? N1 C101 1.474(5) . ? N1 C102 1.481(5) . ? N1 C103 1.482(5) . ? N2 C105 1.468(5) . ? N2 C106 1.470(5) . ? N2 C104 1.471(5) . ? N3 C202 1.466(5) . ? N3 C203 1.467(5) . ? N3 C201 1.469(5) . ? N4 C205 1.466(5) . ? N4 C206 1.478(5) . ? N4 C204 1.479(5) . ? C103 C104 1.512(6) . ? C203 C204 1.518(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 C1 Ag1 N3 145.60(12) . . ? C1 Ag1 N4 115.04(12) . . ? N3 Ag1 N4 79.17(11) . . ? C1 Ag1 O31 124.39(11) . 4_666 ? N3 Ag1 O31 84.92(10) . 4_666 ? N4 Ag1 O31 89.23(10) . 4_666 ? C1 Ag1 Ag3 49.91(10) . . ? N3 Ag1 Ag3 123.63(8) . . ? N4 Ag1 Ag3 156.65(7) . . ? O31 Ag1 Ag3 88.12(7) 4_666 . ? C1 Ag1 Ag2 53.81(9) . . ? N3 Ag1 Ag2 160.07(8) . . ? N4 Ag1 Ag2 95.83(7) . . ? O31 Ag1 Ag2 75.68(6) 4_666 . ? Ag3 Ag1 Ag2 61.065(9) . . ? C1 Ag1 Ag4 44.68(9) . . ? N3 Ag1 Ag4 101.29(8) . . ? N4 Ag1 Ag4 127.36(7) . . ? O31 Ag1 Ag4 143.40(7) 4_666 . ? Ag3 Ag1 Ag4 58.228(9) . . ? Ag2 Ag1 Ag4 97.057(10) . . ? O11 Ag2 O21 107.23(13) 4_666 . ? O11 Ag2 C1 102.12(12) 4_666 . ? O21 Ag2 C1 112.38(12) . . ? O11 Ag2 O32 104.73(11) 4_666 4_666 ? O21 Ag2 O32 93.64(10) . 4_666 ? C1 Ag2 O32 134.61(11) . 4_666 ? O11 Ag2 Ag1 135.58(8) 4_666 . ? O21 Ag2 Ag1 114.31(8) . . ? C1 Ag2 Ag1 47.88(9) . . ? O32 Ag2 Ag1 88.06(6) 4_666 . ? O11 Ag2 Ag3 77.40(8) 4_666 . ? O21 Ag2 Ag3 159.58(8) . . ? C1 Ag2 Ag3 47.68(9) . . ? O32 Ag2 Ag3 104.54(7) 4_666 . ? Ag1 Ag2 Ag3 58.177(9) . . ? C1 Ag3 N1 158.83(12) . . ? C1 Ag3 N2 119.37(13) . . ? N1 Ag3 N2 79.07(11) . . ? C1 Ag3 Ag1 50.01(9) . . ? N1 Ag3 Ag1 114.28(8) . . ? N2 Ag3 Ag1 163.48(8) . . ? C1 Ag3 Ag2 53.67(9) . . ? N1 Ag3 Ag2 107.93(8) . . ? N2 Ag3 Ag2 126.37(8) . . ? Ag1 Ag3 Ag2 60.757(9) . . ? C1 Ag3 Ag4 50.38(9) . . ? N1 Ag3 Ag4 144.63(8) . . ? N2 Ag3 Ag4 94.26(8) . . ? Ag1 Ag3 Ag4 69.213(10) . . ? Ag2 Ag3 Ag4 103.924(11) . . ? C1 Ag4 O22 109.39(11) . 4_565 ? C1 Ag4 O32 138.31(11) . . ? O22 Ag4 O32 94.56(10) 4_565 . ? C1 Ag4 O12 109.04(11) . . ? O22 Ag4 O12 111.77(11) 4_565 . ? O32 Ag4 O12 91.85(10) . . ? C1 Ag4 C2 27.80(12) . . ? O22 Ag4 C2 136.94(12) 4_565 . ? O32 Ag4 C2 122.04(12) . . ? O12 Ag4 C2 90.57(11) . . ? C1 Ag4 Ag3 46.11(9) . . ? O22 Ag4 Ag3 69.55(7) 4_565 . ? O32 Ag4 Ag3 160.85(7) . . ? O12 Ag4 Ag3 103.78(8) . . ? C2 Ag4 Ag3 69.57(9) . . ? C1 Ag4 Ag1 41.21(9) . . ? O22 Ag4 Ag1 80.45(7) 4_565 . ? O32 Ag4 Ag1 115.91(7) . . ? O12 Ag4 Ag1 149.28(7) . . ? C2 Ag4 Ag1 64.23(8) . . ? Ag3 Ag4 Ag1 52.559(8) . . ? C11 O11 Ag2 117.9(3) . 4_565 ? C11 O12 Ag4 143.1(3) . . ? O12 C11 O11 131.2(4) . . ? O12 C11 C12 115.5(4) . . ? O11 C11 C12 113.3(4) . . ? F12' C12 F11 126.8(11) . . ? F12' C12 F11' 111.6(14) . . ? F11 C12 F11' 59.9(9) . . ? F12' C12 F13 33.4(11) . . ? F11 C12 F13 110.6(8) . . ? F11' C12 F13 133.6(10) . . ? F12' C12 F13' 99.0(12) . . ? F11 C12 F13' 46.2(8) . . ? F11' C12 F13' 103.8(12) . . ? F13 C12 F13' 70.0(10) . . ? F12' C12 F12 70.4(11) . . ? F11 C12 F12 104.8(7) . . ? F11' C12 F12 48.6(10) . . ? F13 C12 F12 102.6(6) . . ? F13' C12 F12 135.3(10) . . ? F12' C12 C11 115.9(11) . . ? F11 C12 C11 115.0(5) . . ? F11' C12 C11 112.6(8) . . ? F13 C12 C11 112.0(7) . . ? F13' C12 C11 112.6(9) . . ? F12 C12 C11 110.9(5) . . ? F13' F11 C12 69.6(7) . . ? F13' F11 F11' 126.2(12) . . ? C12 F11 F11' 60.4(6) . . ? F11' F12 C12 63.3(7) . . ? F11' F12 F12' 108.8(11) . . ? C12 F12 F12' 52.7(6) . . ? F12' F13 C12 70.9(11) . . ? F12' F13 F13' 119.1(19) . . ? C12 F13 F13' 55.9(6) . . ? F12 F11' F11 122.4(12) . . ? F12 F11' C12 68.1(8) . . ? F11 F11' C12 59.6(7) . . ? F13 F12' C12 75.7(10) . . ? F13 F12' F12 130.4(15) . . ? C12 F12' F12 57.0(7) . . ? F11 F13' C12 64.1(7) . . ? F11 F13' F13 112.1(12) . . ? C12 F13' F13 54.1(6) . . ? C21 O21 Ag2 137.1(3) . . ? C21 O22 Ag4 120.7(3) . 4_666 ? O21 C21 O22 131.0(4) . . ? O21 C21 C22 114.9(4) . . ? O22 C21 C22 114.1(4) . . ? F22 C22 F23 106.3(3) . . ? F22 C22 F21 107.4(4) . . ? F23 C22 F21 104.7(4) . . ? F22 C22 C21 111.9(4) . . ? F23 C22 C21 114.1(4) . . ? F21 C22 C21 112.0(3) . . ? C31 O31 Ag1 125.6(2) . 4_565 ? C31 O32 Ag2 117.5(2) . 4_565 ? C31 O32 Ag4 145.7(2) . . ? Ag2 O32 Ag4 96.77(9) 4_565 . ? O31 C31 O32 129.1(4) . . ? O31 C31 C32 113.7(3) . . ? O32 C31 C32 117.2(3) . . ? F31 C32 F32 107.7(4) . . ? F31 C32 F33 106.8(4) . . ? F32 C32 F33 106.2(3) . . ? F31 C32 C31 110.5(3) . . ? F32 C32 C31 111.8(3) . . ? F33 C32 C31 113.6(3) . . ? C2 C1 Ag3 140.7(3) . . ? C2 C1 Ag1 138.7(3) . . ? Ag3 C1 Ag1 80.08(13) . . ? C2 C1 Ag4 87.0(3) . . ? Ag3 C1 Ag4 83.50(12) . . ? Ag1 C1 Ag4 94.11(14) . . ? C2 C1 Ag2 109.8(3) . . ? Ag3 C1 Ag2 78.66(12) . . ? Ag1 C1 Ag2 78.32(11) . . ? Ag4 C1 Ag2 161.56(18) . . ? C1 C2 C3 172.4(4) . . ? C1 C2 Ag4 65.2(2) . . ? C3 C2 Ag4 121.8(3) . . ? C2 C3 C5 109.3(4) . . ? C2 C3 C6 110.6(4) . . ? C5 C3 C6 110.4(5) . . ? C2 C3 C4 108.0(4) . . ? C5 C3 C4 110.5(5) . . ? C6 C3 C4 108.0(4) . . ? C101 N1 C102 108.8(3) . . ? C101 N1 C103 110.3(3) . . ? C102 N1 C103 109.4(3) . . ? C101 N1 Ag3 110.8(3) . . ? C102 N1 Ag3 111.4(3) . . ? C103 N1 Ag3 106.1(2) . . ? C105 N2 C106 108.7(3) . . ? C105 N2 C104 110.8(3) . . ? C106 N2 C104 110.8(3) . . ? C105 N2 Ag3 114.2(2) . . ? C106 N2 Ag3 109.5(2) . . ? C104 N2 Ag3 102.7(2) . . ? C202 N3 C203 109.7(3) . . ? C202 N3 C201 108.0(3) . . ? C203 N3 C201 111.1(3) . . ? C202 N3 Ag1 111.7(2) . . ? C203 N3 Ag1 104.4(2) . . ? C201 N3 Ag1 111.9(2) . . ? C205 N4 C206 108.4(3) . . ? C205 N4 C204 111.3(3) . . ? C206 N4 C204 111.1(3) . . ? C205 N4 Ag1 113.7(2) . . ? C206 N4 Ag1 109.9(2) . . ? C204 N4 Ag1 102.3(2) . . ? N1 C103 C104 112.1(3) . . ? N2 C104 C103 111.8(3) . . ? N3 C203 C204 112.5(3) . . ? N4 C204 C203 111.9(3) . . ? _diffrn_measured_fraction_theta_max 0.980 _diffrn_reflns_theta_full 62.36 _diffrn_measured_fraction_theta_full 0.980 _refine_diff_density_max 0.453 _refine_diff_density_min -0.681 _refine_diff_density_rms 0.082 #====================================END data_3 _database_code_depnum_ccdc_archive 'CCDC 689649' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C67 H81 Ag16 F24 O19' _chemical_formula_weight 3372.24 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 14.0190(7) _cell_length_b 15.9616(9) _cell_length_c 23.6599(11) _cell_angle_alpha 70.585(5) _cell_angle_beta 80.663(4) _cell_angle_gamma 74.957(5) _cell_volume 4805.3(4) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description prismatic _exptl_crystal_colour colorless _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.14 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.331 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3206 _exptl_absorpt_coefficient_mu 3.281 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.4394 _exptl_absorpt_correction_T_max 0.6566 _exptl_absorpt_process_details ; CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET) (compiled Apr 27 2007,17:53:11) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Oxford Gemini S Ultra' _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 51503 _diffrn_reflns_av_R_equivalents 0.0885 _diffrn_reflns_av_sigmaI/netI 0.2464 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_limit_l_max 33 _diffrn_reflns_theta_min 2.26 _diffrn_reflns_theta_max 30.83 _reflns_number_total 25895 _reflns_number_gt 9286 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CrysAlis CCD, Oxford Diffraction Ltd.' _computing_cell_refinement 'CrysAlis RED, Oxford Diffraction Ltd.' _computing_data_reduction 'CrysAlis RED, Oxford Diffraction Ltd.' _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^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0010(2) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 25895 _refine_ls_number_parameters 1110 _refine_ls_number_restraints 541 _refine_ls_R_factor_all 0.2389 _refine_ls_R_factor_gt 0.1212 _refine_ls_wR_factor_ref 0.4176 _refine_ls_wR_factor_gt 0.3908 _refine_ls_goodness_of_fit_ref 1.083 _refine_ls_restrained_S_all 1.081 _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 0.0651(3) 1.0702(3) 1.03333(16) 0.0422(9) Uani 0.50 1 d P . . Ag2 Ag -0.0486(3) 0.9877(3) 0.99246(18) 0.0451(9) Uani 0.50 1 d P . . Ag3 Ag 0.21244(12) 0.87848(13) 0.73740(8) 0.0364(4) Uani 1 1 d . . . Ag4 Ag 0.33202(16) 0.66224(13) 0.71164(8) 0.0431(5) Uani 1 1 d . . . Ag5 Ag 0.01937(15) 0.94481(14) 0.84061(9) 0.0449(5) Uani 1 1 d . . . Ag6 Ag 0.14743(13) 0.79306(14) 0.90927(8) 0.0408(5) Uani 1 1 d . . . Ag7 Ag 0.34624(15) 0.50198(14) 0.55517(9) 0.0465(5) Uani 1 1 d . . . Ag8 Ag 0.53209(15) 0.49050(14) 0.59830(9) 0.0463(5) Uani 1 1 d . . . Ag9 Ag 0.34665(14) 0.79707(15) 0.84338(8) 0.0469(5) Uani 1 1 d . . . Ag10 Ag 0.15212(14) 0.78444(15) 0.65558(11) 0.0528(6) Uani 1 1 d . . . Ag11 Ag 0.21618(15) 0.57020(15) 0.65922(11) 0.0565(6) Uani 1 1 d . . . Ag12 Ag 0.0376(2) 1.09593(17) 0.88098(10) 0.0681(8) Uani 1 1 d . . . Ag13 Ag 0.03592(17) 0.77273(16) 0.79989(10) 0.0554(6) Uani 1 1 d . . . Ag14 Ag 0.21765(15) 0.98961(19) 0.80641(14) 0.0731(8) Uani 1 1 d . . . Ag15 Ag 0.1853(3) 0.8691(2) 0.99532(11) 0.1015(13) Uani 1 1 d . . . Ag16 Ag 0.42071(13) 0.81512(13) 0.68889(8) 0.0373(4) Uani 1 1 d . . . Ag17 Ag 0.37686(14) 0.65086(12) 0.59075(8) 0.0388(5) Uani 1 1 d . . . O11 O 0.5255(13) 0.7072(11) 0.5461(9) 0.054(5) Uani 1 1 d U . . O12 O 0.5754(17) 0.5992(12) 0.5031(8) 0.060(5) Uani 1 1 d U . . C11 C 0.5687(19) 0.6733(16) 0.5066(12) 0.044(5) Uani 1 1 d U . . C12 C 0.629(2) 0.7326(18) 0.4573(13) 0.092(8) Uani 1 1 d DU . . F11 F 0.587(2) 0.8192(15) 0.4358(14) 0.146(11) Uani 1 1 d DU . . F12 F 0.704(2) 0.746(3) 0.4778(15) 0.165(12) Uani 1 1 d DU . . F13 F 0.6757(19) 0.7004(18) 0.4146(12) 0.122(9) Uani 1 1 d DU . . O21 O 0.1016(15) 0.6302(13) 0.7235(9) 0.060(5) Uani 1 1 d U . . O22 O -0.0350(16) 0.6712(16) 0.7787(9) 0.065(5) Uani 1 1 d U . . C21 C 0.017(2) 0.6247(19) 0.7452(13) 0.049(6) Uani 1 1 d U . . C22 C -0.042(2) 0.5759(19) 0.7211(14) 0.054(7) Uani 1 1 d U . . F21 F -0.1053(17) 0.5445(16) 0.7612(10) 0.100(7) Uani 1 1 d U . . F22 F -0.0798(15) 0.6302(14) 0.6717(9) 0.088(6) Uani 1 1 d U . . F23 F 0.0248(14) 0.5042(12) 0.7066(10) 0.082(6) Uani 1 1 d U . . O31 O 0.5177(16) 0.604(2) 0.7357(10) 0.084(7) Uani 1 1 d U . . O32 O 0.4724(17) 0.6918(16) 0.7979(16) 0.100(8) Uani 1 1 d U . . C31 C 0.5183(18) 0.636(2) 0.7762(17) 0.062(7) Uani 1 1 d U . . C32 C 0.603(4) 0.579(3) 0.816(2) 0.113(12) Uani 1 1 d U . . F31 F 0.659(3) 0.617(3) 0.828(2) 0.190(15) Uani 1 1 d U . . F32 F 0.646(2) 0.500(2) 0.8027(15) 0.181(15) Uani 1 1 d U . . F33 F 0.566(4) 0.545(2) 0.8735(15) 0.22(2) Uani 1 1 d U . . O41 O 0.2017(17) 1.035(2) 0.9343(12) 0.113(9) Uani 1 1 d U . . O42 O 0.3060(16) 1.037(2) 0.8503(11) 0.095(7) Uani 1 1 d U . . C41 C 0.281(3) 1.046(3) 0.9029(16) 0.079(6) Uani 1 1 d U . . C42 C 0.348(3) 1.080(3) 0.9341(18) 0.092(7) Uani 1 1 d U . . F41 F 0.442(2) 1.051(2) 0.9150(13) 0.137(9) Uani 1 1 d U . . F42 F 0.341(2) 1.049(2) 0.9923(12) 0.130(9) Uani 1 1 d U . . F43 F 0.323(2) 1.1731(15) 0.9139(9) 0.122(8) Uani 1 1 d U . . O51 O 0.1564(17) 1.0010(16) 1.0970(10) 0.088(8) Uani 1 1 d U . . O52 O 0.2541(19) 0.8792(18) 1.0731(10) 0.084(7) Uani 1 1 d U . . C51 C 0.226(2) 0.932(3) 1.1050(14) 0.067(7) Uani 1 1 d U . . C52 C 0.291(4) 0.904(4) 1.159(2) 0.111(9) Uani 1 1 d U . . F51 F 0.236(3) 0.861(3) 1.2078(13) 0.172(12) Uani 1 1 d U . . F52 F 0.371(3) 0.848(3) 1.1500(16) 0.184(13) Uani 1 1 d U . . F53 F 0.306(3) 0.969(3) 1.1687(14) 0.168(11) Uani 1 1 d U . . O61 O 0.3039(14) 0.5724(12) 0.7988(8) 0.048(4) Uani 1 1 d U . . O62 O 0.2225(11) 0.6893(11) 0.8305(6) 0.035(4) Uani 1 1 d U . . C61 C 0.253(3) 0.608(2) 0.8351(16) 0.081(7) Uani 1 1 d U . . C62 C 0.225(2) 0.5478(17) 0.8939(13) 0.095(6) Uani 1 1 d DU . . F61 F 0.202(2) 0.5742(17) 0.9423(10) 0.136(8) Uani 1 1 d DU . . F62 F 0.153(2) 0.507(2) 0.8938(13) 0.148(9) Uani 1 1 d DU . . F63 F 0.283(2) 0.4666(14) 0.9093(10) 0.121(8) Uani 1 1 d DU . . O71 O 0.072(2) 0.780(2) 0.5833(14) 0.111(9) Uiso 1 1 d DU . . O72 O 0.1142(17) 0.6352(16) 0.5821(10) 0.075(6) Uiso 1 1 d DU . . C71 C 0.068(3) 0.7170(19) 0.5631(17) 0.094(9) Uiso 1 1 d DU . . C72 C 0.005(3) 0.745(3) 0.5105(18) 0.138(13) Uiso 1 1 d DU . . F71 F 0.060(4) 0.770(4) 0.459(2) 0.224(17) Uiso 1 1 d DU . . F72 F -0.086(4) 0.788(3) 0.525(2) 0.236(18) Uiso 1 1 d DU . . F73 F -0.024(3) 0.672(3) 0.5088(19) 0.195(15) Uiso 1 1 d DU . . O81 O 0.3580(12) 0.6002(10) 0.4555(7) 0.040(4) Uani 1 1 d U . . O82 O 0.3193(13) 0.7182(10) 0.4938(7) 0.041(4) Uani 1 1 d U . . C81 C 0.3405(17) 0.6802(16) 0.4503(10) 0.036(5) Uani 1 1 d U . . C82 C 0.331(4) 0.745(3) 0.3899(16) 0.087(8) Uani 1 1 d U . . F81 F 0.235(3) 0.779(3) 0.3761(14) 0.170(12) Uani 1 1 d U . . F82 F 0.358(2) 0.8190(16) 0.3760(10) 0.121(8) Uani 1 1 d U . . F83 F 0.366(2) 0.7069(15) 0.3467(9) 0.121(9) Uani 1 1 d U . . C111 C 0.0776(15) 0.8818(16) 0.7101(10) 0.034(5) Uani 1 1 d U . . C112 C 0.0009(17) 0.9032(13) 0.6879(12) 0.039(5) Uani 1 1 d U . . C113 C -0.0966(19) 0.941(2) 0.6649(18) 0.071(8) Uani 1 1 d U . . C114 C -0.084(3) 1.009(2) 0.603(2) 0.104(13) Uani 1 1 d U . . H11A H -0.0583 1.0589 0.6060 0.156 Uiso 1 1 calc R . . H11B H -0.1484 1.0346 0.5855 0.156 Uiso 1 1 calc R . . H11C H -0.0375 0.9785 0.5764 0.156 Uiso 1 1 calc R . . C115 C -0.163(3) 0.993(3) 0.706(2) 0.111(13) Uani 1 1 d U . . H11D H -0.1362 1.0441 0.7050 0.167 Uiso 1 1 calc R . . H11E H -0.1659 0.9515 0.7474 0.167 Uiso 1 1 calc R . . H11F H -0.2301 1.0154 0.6924 0.167 Uiso 1 1 calc R . . C116 C -0.145(2) 0.867(2) 0.6664(19) 0.084(10) Uani 1 1 d U . . H11G H -0.1517 0.8271 0.7079 0.126 Uiso 1 1 calc R . . H11H H -0.1043 0.8312 0.6410 0.126 Uiso 1 1 calc R . . H11I H -0.2109 0.8938 0.6514 0.126 Uiso 1 1 calc R . . C211 C 0.3415(19) 0.9068(16) 0.7518(9) 0.038(5) Uani 1 1 d U . . C212 C 0.4231(19) 0.9229(17) 0.7454(10) 0.040(5) Uani 1 1 d U . . C213 C 0.5151(16) 0.9641(15) 0.7337(10) 0.050(6) Uani 1 1 d DU . . C214 C 0.585(2) 0.886(3) 0.7730(17) 0.089(11) Uani 1 1 d DU . . H21A H 0.5959 0.8321 0.7593 0.134 Uiso 1 1 calc R . . H21B H 0.5565 0.8717 0.8148 0.134 Uiso 1 1 calc R . . H21C H 0.6486 0.9024 0.7703 0.134 Uiso 1 1 calc R . . C215 C 0.487(2) 1.0548(18) 0.7468(14) 0.067(8) Uani 1 1 d DU . . H21D H 0.5462 1.0804 0.7395 0.101 Uiso 1 1 calc R . . H21E H 0.4610 1.0456 0.7889 0.101 Uiso 1 1 calc R . . H21F H 0.4368 1.0970 0.7204 0.101 Uiso 1 1 calc R . . C216 C 0.556(2) 0.979(2) 0.6686(13) 0.070(8) Uani 1 1 d DU . . H21G H 0.5765 0.9209 0.6601 0.105 Uiso 1 1 calc R . . H21H H 0.6137 1.0069 0.6614 0.105 Uiso 1 1 calc R . . H21I H 0.5051 1.0202 0.6423 0.105 Uiso 1 1 calc R . . C311 C 0.0587(19) 1.0689(19) 0.7989(14) 0.055(7) Uani 1 1 d U . . C312 C 0.0644(19) 1.1321(17) 0.7514(10) 0.043(5) Uani 1 1 d DU . . C313 C 0.068(2) 1.210(2) 0.6929(11) 0.058(7) Uani 1 1 d DU . . C314 C 0.126(4) 1.271(3) 0.7007(16) 0.102(13) Uani 1 1 d U . . H31A H 0.1919 1.2363 0.7120 0.154 Uiso 1 1 calc R . . H31B H 0.0912 1.2976 0.7325 0.154 Uiso 1 1 calc R . . H31C H 0.1311 1.3201 0.6629 0.154 Uiso 1 1 calc R . . C315 C 0.121(2) 1.169(3) 0.6459(12) 0.075(10) Uani 1 1 d U . . H31D H 0.0832 1.1302 0.6396 0.113 Uiso 1 1 calc R . . H31E H 0.1867 1.1332 0.6584 0.113 Uiso 1 1 calc R . . H31F H 0.1294 1.2181 0.6083 0.113 Uiso 1 1 calc R . . C316 C -0.032(3) 1.254(3) 0.6772(14) 0.098(13) Uani 1 1 d U . . H31G H -0.0651 1.2102 0.6722 0.147 Uiso 1 1 calc R . . H31H H -0.0310 1.3043 0.6395 0.147 Uiso 1 1 calc R . . H31I H -0.0692 1.2787 0.7094 0.147 Uiso 1 1 calc R . . C411 C 0.376(2) 0.495(2) 0.6455(13) 0.048(6) Uani 1 1 d U . . C412 C 0.375(2) 0.445(2) 0.6931(14) 0.057(7) Uani 1 1 d U . . C413 C 0.373(2) 0.3661(18) 0.7516(13) 0.054(7) Uani 1 1 d U . . C414 C 0.268(2) 0.3788(18) 0.7850(11) 0.052(7) Uani 1 1 d U . . H41A H 0.2197 0.3765 0.7602 0.078 Uiso 1 1 calc R . . H41B H 0.2506 0.4378 0.7927 0.078 Uiso 1 1 calc R . . H41C H 0.2675 0.3299 0.8233 0.078 Uiso 1 1 calc R . . C415 C 0.398(3) 0.2778(18) 0.7387(15) 0.068(9) Uani 1 1 d U . . H41D H 0.3500 0.2779 0.7126 0.103 Uiso 1 1 calc R . . H41E H 0.3948 0.2282 0.7765 0.103 Uiso 1 1 calc R . . H41F H 0.4646 0.2688 0.7185 0.103 Uiso 1 1 calc R . . C416 C 0.446(2) 0.370(2) 0.7914(13) 0.068(9) Uani 1 1 d U . . H41G H 0.5126 0.3624 0.7710 0.102 Uiso 1 1 calc R . . H41H H 0.4447 0.3204 0.8295 0.102 Uiso 1 1 calc R . . H41I H 0.4270 0.4284 0.7995 0.102 Uiso 1 1 calc R . . C511 C 0.284(2) 0.778(2) 0.9397(11) 0.056(6) Uani 1 1 d U . . C512 C 0.364(2) 0.757(2) 0.9596(13) 0.055(6) Uani 1 1 d U . . C513 C 0.454(2) 0.729(2) 0.9910(14) 0.064(6) Uani 1 1 d U . . C514 C 0.498(3) 0.809(3) 0.9875(18) 0.088(10) Uani 1 1 d U . . H51A H 0.5213 0.8369 0.9457 0.132 Uiso 1 1 calc R . . H51B H 0.5546 0.7861 1.0125 0.132 Uiso 1 1 calc R . . H51C H 0.4481 0.8537 1.0022 0.132 Uiso 1 1 calc R . . C515 C 0.427(3) 0.688(3) 1.0585(13) 0.095(12) Uani 1 1 d U . . H51D H 0.3986 0.6351 1.0647 0.142 Uiso 1 1 calc R . . H51E H 0.3792 0.7333 1.0738 0.142 Uiso 1 1 calc R . . H51F H 0.4874 0.6679 1.0799 0.142 Uiso 1 1 calc R . . C516 C 0.527(3) 0.658(3) 0.9700(19) 0.089(10) Uani 1 1 d U . . H51G H 0.4959 0.6089 0.9720 0.134 Uiso 1 1 calc R . . H51H H 0.5826 0.6334 0.9958 0.134 Uiso 1 1 calc R . . H51I H 0.5524 0.6848 0.9285 0.134 Uiso 1 1 calc R . . C611 C 0.0018(19) 0.8111(17) 0.8893(10) 0.041(6) Uani 1 1 d U . . C612 C -0.0622(15) 0.7657(16) 0.9017(9) 0.032(5) Uani 1 1 d U . . C613 C -0.1420(17) 0.7150(14) 0.9255(10) 0.052(6) Uani 1 1 d DU . . C614 C -0.213(2) 0.750(3) 0.8754(14) 0.083(10) Uani 1 1 d DU . . H61A H -0.2444 0.8145 0.8702 0.124 Uiso 1 1 calc R . . H61B H -0.2649 0.7147 0.8865 0.124 Uiso 1 1 calc R . . H61C H -0.1765 0.7436 0.8377 0.124 Uiso 1 1 calc R . . C615 C -0.193(2) 0.735(2) 0.9835(14) 0.073(9) Uani 1 1 d DU . . H61D H -0.2177 0.8011 0.9753 0.110 Uiso 1 1 calc R . . H61E H -0.1450 0.7129 1.0140 0.110 Uiso 1 1 calc R . . H61F H -0.2483 0.7047 0.9982 0.110 Uiso 1 1 calc R . . C616 C -0.102(2) 0.6133(16) 0.9333(14) 0.068(9) Uani 1 1 d DU . . H61G H -0.0726 0.6050 0.8945 0.102 Uiso 1 1 calc R . . H61H H -0.1569 0.5816 0.9479 0.102 Uiso 1 1 calc R . . H61I H -0.0520 0.5882 0.9624 0.102 Uiso 1 1 calc R . . C711 C -0.020(2) 1.1410(19) 0.9621(11) 0.056(6) Uani 1 1 d U . . C712 C -0.047(2) 1.219(2) 0.9279(11) 0.057(6) Uani 1 1 d U . . C713 C -0.068(2) 1.315(2) 0.8919(13) 0.071(9) Uani 1 1 d U . . C714 C 0.028(2) 1.344(3) 0.8618(13) 0.081(11) Uani 1 1 d U . . H71A H 0.0671 1.3439 0.8926 0.122 Uiso 1 1 calc R . . H71B H 0.0122 1.4058 0.8335 0.122 Uiso 1 1 calc R . . H71C H 0.0655 1.3017 0.8402 0.122 Uiso 1 1 calc R . . C715 C -0.112(3) 1.3721(19) 0.9318(18) 0.097(13) Uani 1 1 d U . . H71D H -0.0640 1.3641 0.9601 0.145 Uiso 1 1 calc R . . H71E H -0.1721 1.3536 0.9542 0.145 Uiso 1 1 calc R . . H71F H -0.1285 1.4363 0.9076 0.145 Uiso 1 1 calc R . . C716 C -0.132(2) 1.321(3) 0.8429(14) 0.084(11) Uani 1 1 d U . . H71G H -0.1947 1.3030 0.8619 0.126 Uiso 1 1 calc R . . H71H H -0.0964 1.2789 0.8201 0.126 Uiso 1 1 calc R . . H71I H -0.1467 1.3829 0.8156 0.126 Uiso 1 1 calc R . . C811 C 0.3251(17) 0.7693(17) 0.6322(10) 0.036(4) Uani 1 1 d U . . C812 C 0.3220(17) 0.8413(16) 0.5956(9) 0.035(4) Uani 1 1 d DU . . C813 C 0.3039(16) 0.9334(17) 0.5459(10) 0.054(5) Uani 1 1 d DU . . C814 C 0.361(2) 0.930(3) 0.4883(13) 0.088(9) Uani 1 1 d DU . . H81A H 0.4309 0.9004 0.4955 0.132 Uiso 1 1 calc R . . H81B H 0.3574 0.9917 0.4608 0.132 Uiso 1 1 calc R . . H81C H 0.3343 0.8945 0.4704 0.132 Uiso 1 1 calc R . . C815 C 0.337(3) 0.994(3) 0.5707(17) 0.103(10) Uani 1 1 d DU . . H81D H 0.4072 0.9705 0.5782 0.155 Uiso 1 1 calc R . . H81E H 0.2975 0.9971 0.6084 0.155 Uiso 1 1 calc R . . H81F H 0.3285 1.0556 0.5417 0.155 Uiso 1 1 calc R . . C816 C 0.197(2) 0.971(3) 0.5345(15) 0.105(11) Uani 1 1 d DU . . H81G H 0.1894 1.0298 0.5027 0.158 Uiso 1 1 calc R . . H81H H 0.1583 0.9798 0.5714 0.158 Uiso 1 1 calc R . . H81I H 0.1720 0.9285 0.5219 0.158 Uiso 1 1 calc R . . O1S O 0.1799(18) 0.497(2) 0.5401(15) 0.101(9) Uani 1 1 d U . . C1S C 0.157(3) 0.496(4) 0.478(2) 0.134(17) Uani 1 1 d U . . H1SA H 0.0866 0.4965 0.4792 0.200 Uiso 1 1 calc R . . H1SB H 0.1976 0.4414 0.4691 0.200 Uiso 1 1 calc R . . H1SC H 0.1721 0.5504 0.4466 0.200 Uiso 1 1 calc R . . O2S O 0.6346(17) 0.500(2) 0.6669(13) 0.107(10) Uani 1 1 d U . . C2S C 0.718(3) 0.445(4) 0.686(2) 0.123(16) Uani 1 1 d U . . H2SA H 0.7413 0.4660 0.7149 0.184 Uiso 1 1 calc R . . H2SB H 0.7676 0.4440 0.6522 0.184 Uiso 1 1 calc R . . H2SC H 0.7063 0.3835 0.7063 0.184 Uiso 1 1 calc R . . O3S O 0.5620(12) 0.7967(16) 0.6182(10) 0.068(6) Uani 1 1 d U . . C3S C 0.663(2) 0.743(3) 0.6390(19) 0.085(11) Uani 1 1 d U . . H3SA H 0.7111 0.7435 0.6039 0.128 Uiso 1 1 calc R . . H3SB H 0.6594 0.6804 0.6619 0.128 Uiso 1 1 calc R . . H3SC H 0.6840 0.7713 0.6646 0.128 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 0.0327(18) 0.055(2) 0.0316(19) -0.0028(18) -0.0022(15) -0.0114(17) Ag2 0.043(2) 0.039(2) 0.047(2) -0.0090(19) -0.0028(17) -0.0042(17) Ag3 0.0252(8) 0.0523(11) 0.0404(10) -0.0210(9) -0.0037(7) -0.0136(8) Ag4 0.0674(13) 0.0376(10) 0.0277(9) -0.0076(8) -0.0017(9) -0.0220(9) Ag5 0.0482(11) 0.0447(11) 0.0460(11) -0.0097(10) -0.0115(9) -0.0180(9) Ag6 0.0357(9) 0.0546(12) 0.0360(10) -0.0140(9) -0.0036(8) -0.0160(9) Ag7 0.0599(12) 0.0485(11) 0.0409(11) -0.0265(10) 0.0054(9) -0.0177(10) Ag8 0.0473(11) 0.0457(11) 0.0460(12) -0.0205(10) 0.0009(9) -0.0051(9) Ag9 0.0399(10) 0.0638(13) 0.0319(10) -0.0122(10) 0.0018(8) -0.0089(9) Ag10 0.0382(10) 0.0596(13) 0.0750(15) -0.0411(12) 0.0118(10) -0.0184(10) Ag11 0.0387(11) 0.0508(12) 0.0773(16) -0.0205(12) 0.0058(10) -0.0105(9) Ag12 0.108(2) 0.0590(14) 0.0501(13) -0.0365(12) 0.0322(13) -0.0386(14) Ag13 0.0669(14) 0.0585(13) 0.0458(12) -0.0270(11) 0.0046(10) -0.0134(11) Ag14 0.0345(11) 0.0909(18) 0.125(2) -0.0835(18) 0.0010(12) -0.0058(11) Ag15 0.197(4) 0.101(2) 0.0449(14) -0.0372(16) 0.0260(18) -0.101(3) Ag16 0.0381(9) 0.0411(10) 0.0400(10) -0.0223(9) -0.0039(8) -0.0077(8) Ag17 0.0502(11) 0.0311(9) 0.0376(10) -0.0179(8) 0.0100(8) -0.0122(8) O11 0.049(10) 0.036(9) 0.089(14) -0.044(10) 0.030(9) -0.019(8) O12 0.119(16) 0.034(9) 0.034(9) -0.025(8) 0.022(10) -0.025(10) C11 0.054(13) 0.032(11) 0.060(14) -0.032(11) 0.012(11) -0.020(10) C12 0.092(17) 0.081(15) 0.129(19) -0.069(15) 0.048(16) -0.048(14) F11 0.134(19) 0.064(13) 0.19(2) -0.004(15) 0.084(18) -0.037(14) F12 0.12(2) 0.20(3) 0.18(3) -0.04(2) 0.020(19) -0.08(2) F13 0.115(16) 0.126(18) 0.15(2) -0.091(16) 0.069(15) -0.054(15) O21 0.061(12) 0.047(11) 0.065(13) -0.010(10) 0.001(10) -0.012(9) O22 0.071(13) 0.086(15) 0.044(11) -0.025(11) 0.008(9) -0.032(12) C21 0.058(14) 0.047(13) 0.054(14) -0.023(11) -0.012(12) -0.016(11) C22 0.066(16) 0.044(14) 0.066(16) -0.037(13) -0.007(14) -0.008(13) F21 0.100(15) 0.107(16) 0.105(16) -0.023(14) 0.025(13) -0.075(14) F22 0.097(14) 0.082(13) 0.081(13) 0.006(12) -0.052(12) -0.026(12) F23 0.081(12) 0.067(11) 0.121(16) -0.065(12) 0.013(11) -0.023(10) O31 0.056(13) 0.12(2) 0.067(15) -0.022(15) -0.016(11) -0.008(13) O32 0.061(13) 0.057(13) 0.19(3) -0.054(16) -0.015(15) -0.010(11) C31 0.023(11) 0.070(16) 0.13(2) -0.076(15) -0.001(13) -0.015(11) C32 0.11(2) 0.11(2) 0.14(3) -0.10(2) -0.03(2) 0.04(2) F31 0.13(2) 0.19(3) 0.27(4) -0.11(3) -0.12(3) 0.04(2) F32 0.20(3) 0.15(2) 0.18(3) -0.11(2) -0.12(2) 0.13(2) F33 0.35(5) 0.13(2) 0.11(2) -0.05(2) 0.01(3) 0.09(3) O41 0.051(12) 0.143(18) 0.092(15) 0.044(15) -0.001(11) -0.037(13) O42 0.053(11) 0.165(18) 0.075(13) -0.061(13) 0.035(10) -0.030(12) C41 0.071(12) 0.115(14) 0.072(12) -0.048(12) 0.021(10) -0.048(11) C42 0.131(16) 0.103(15) 0.081(14) -0.079(12) 0.029(13) -0.049(14) F41 0.104(17) 0.21(3) 0.14(2) -0.075(19) -0.001(15) -0.083(18) F42 0.19(2) 0.126(19) 0.097(16) -0.054(15) 0.016(17) -0.066(18) F43 0.27(3) 0.074(13) 0.064(12) -0.032(11) -0.020(15) -0.086(16) O51 0.082(14) 0.073(14) 0.048(12) 0.007(11) 0.000(10) 0.054(12) O52 0.101(17) 0.088(16) 0.061(14) -0.014(13) -0.022(12) -0.019(14) C51 0.052(13) 0.115(18) 0.061(13) -0.059(13) -0.002(11) -0.025(13) C52 0.113(17) 0.16(2) 0.091(15) -0.079(15) -0.022(15) -0.019(16) F51 0.22(3) 0.21(3) 0.088(18) -0.07(2) -0.014(19) -0.01(2) F52 0.14(2) 0.26(3) 0.16(2) -0.07(2) -0.11(2) 0.00(2) F53 0.21(3) 0.22(3) 0.14(2) -0.11(2) -0.050(19) -0.04(2) O61 0.068(11) 0.038(9) 0.037(9) -0.018(8) 0.002(8) -0.006(8) O62 0.039(9) 0.040(9) 0.022(8) -0.001(7) -0.001(6) -0.013(7) C61 0.130(15) 0.055(12) 0.061(12) -0.005(11) -0.002(12) -0.048(12) C62 0.150(14) 0.063(11) 0.065(11) -0.004(10) 0.012(11) -0.042(11) F61 0.217(19) 0.086(13) 0.066(12) -0.009(11) 0.035(14) -0.016(14) F62 0.176(18) 0.125(16) 0.114(15) 0.018(14) 0.017(15) -0.072(15) F63 0.171(17) 0.058(11) 0.074(12) 0.021(11) 0.022(13) 0.002(12) O81 0.055(10) 0.018(7) 0.042(9) -0.017(7) -0.002(8) 0.010(7) O82 0.074(11) 0.024(8) 0.029(8) -0.015(7) -0.006(8) -0.008(8) C81 0.044(12) 0.034(11) 0.026(10) -0.004(9) 0.000(9) -0.013(9) C82 0.138(19) 0.088(17) 0.057(14) -0.032(13) -0.027(15) -0.037(16) F81 0.17(3) 0.18(3) 0.12(2) 0.02(2) -0.06(2) -0.02(2) F82 0.22(2) 0.083(14) 0.086(15) -0.020(13) -0.019(16) -0.081(16) F83 0.21(2) 0.066(12) 0.060(12) -0.027(11) 0.009(14) 0.019(15) C111 0.019(10) 0.038(12) 0.038(12) -0.006(10) 0.013(9) -0.012(9) C112 0.035(11) 0.011(9) 0.060(14) 0.004(10) -0.024(11) 0.004(8) C113 0.030(11) 0.063(15) 0.13(2) -0.022(14) -0.051(13) -0.006(11) C114 0.059(18) 0.060(19) 0.17(3) 0.01(2) -0.06(2) 0.011(16) C115 0.046(18) 0.11(3) 0.16(3) -0.02(3) -0.01(2) -0.010(18) C116 0.060(17) 0.09(2) 0.13(3) -0.05(2) -0.055(18) -0.019(16) C211 0.056(14) 0.036(12) 0.017(10) -0.005(10) 0.009(10) -0.015(11) C212 0.056(14) 0.042(12) 0.028(11) -0.006(10) -0.007(10) -0.027(11) C213 0.043(11) 0.068(13) 0.063(13) -0.021(12) -0.014(10) -0.042(11) C214 0.054(18) 0.10(2) 0.10(2) -0.01(2) -0.007(17) -0.027(18) C215 0.10(2) 0.054(16) 0.065(18) -0.014(15) 0.007(16) -0.052(16) C216 0.064(17) 0.09(2) 0.066(18) -0.040(17) 0.015(15) -0.025(16) C311 0.043(14) 0.044(14) 0.073(18) -0.021(14) 0.024(13) -0.015(12) C312 0.049(13) 0.048(13) 0.041(13) -0.030(11) 0.003(11) -0.011(11) C313 0.075(17) 0.064(16) 0.028(13) 0.000(13) 0.010(12) -0.031(14) C314 0.16(4) 0.10(3) 0.05(2) -0.01(2) 0.00(2) -0.06(3) C315 0.069(19) 0.13(3) 0.030(14) -0.042(18) 0.029(13) -0.03(2) C316 0.11(3) 0.12(3) 0.031(16) 0.00(2) -0.020(18) 0.01(2) C411 0.054(15) 0.052(15) 0.046(15) -0.029(13) 0.013(12) -0.020(12) C412 0.051(14) 0.047(14) 0.048(15) 0.002(13) 0.013(12) 0.001(12) C413 0.072(16) 0.032(12) 0.051(15) -0.012(12) 0.004(13) -0.009(12) C414 0.09(2) 0.044(15) 0.024(12) -0.001(12) 0.011(13) -0.037(15) C415 0.10(2) 0.026(13) 0.08(2) -0.015(15) -0.009(18) -0.004(15) C416 0.068(19) 0.051(17) 0.047(17) 0.003(15) 0.009(15) 0.018(15) C511 0.067(15) 0.081(16) 0.016(10) -0.007(12) -0.005(10) -0.020(14) C512 0.055(12) 0.070(13) 0.049(12) -0.012(11) -0.001(10) -0.037(11) C513 0.063(13) 0.088(15) 0.059(12) -0.031(12) -0.020(11) -0.028(12) C514 0.08(2) 0.09(2) 0.09(2) -0.01(2) -0.028(19) -0.022(19) C515 0.09(2) 0.12(3) 0.035(15) -0.012(18) -0.016(15) 0.03(2) C516 0.07(2) 0.11(2) 0.11(2) -0.07(2) -0.014(18) 0.000(19) C611 0.054(14) 0.037(13) 0.028(12) -0.008(11) 0.002(10) -0.009(11) C612 0.020(9) 0.047(12) 0.022(10) -0.005(10) -0.005(8) -0.003(9) C613 0.055(13) 0.050(13) 0.044(13) 0.008(11) -0.004(11) -0.029(11) C614 0.056(17) 0.12(2) 0.068(19) 0.009(19) -0.007(15) -0.053(17) C615 0.048(16) 0.074(19) 0.09(2) -0.012(18) 0.007(15) -0.029(15) C616 0.11(2) 0.039(14) 0.057(17) 0.020(13) -0.018(16) -0.050(15) C711 0.084(14) 0.052(12) 0.032(11) -0.039(10) -0.016(10) 0.023(11) C712 0.080(14) 0.057(12) 0.026(11) -0.033(10) -0.005(10) 0.025(11) C713 0.072(17) 0.074(18) 0.039(15) -0.007(14) 0.030(13) -0.002(15) C714 0.07(2) 0.14(3) 0.039(16) -0.01(2) -0.019(15) -0.04(2) C715 0.15(3) 0.019(14) 0.10(3) -0.010(17) 0.00(3) -0.005(18) C716 0.049(17) 0.13(3) 0.044(17) -0.01(2) -0.004(14) 0.017(18) C811 0.039(9) 0.048(10) 0.040(10) -0.029(8) 0.005(8) -0.028(9) C812 0.042(8) 0.053(9) 0.033(9) -0.027(7) 0.003(7) -0.034(8) C813 0.066(9) 0.061(10) 0.042(9) -0.021(8) 0.003(8) -0.025(9) C814 0.107(18) 0.086(17) 0.049(14) -0.011(14) 0.003(14) -0.003(16) C815 0.121(19) 0.092(18) 0.089(18) -0.029(16) 0.007(17) -0.017(17) C816 0.096(17) 0.101(18) 0.078(17) 0.018(16) -0.002(16) -0.013(17) O1S 0.070(15) 0.11(2) 0.15(3) -0.07(2) -0.027(16) -0.011(15) C1S 0.09(3) 0.15(4) 0.15(4) -0.05(4) -0.04(3) 0.01(3) O2S 0.051(13) 0.20(3) 0.12(2) -0.10(2) -0.018(14) -0.039(17) C2S 0.07(2) 0.18(4) 0.18(4) -0.15(3) -0.02(3) 0.00(3) O3S 0.030(9) 0.095(16) 0.101(16) -0.076(14) 0.007(10) 0.001(10) C3S 0.054(18) 0.08(2) 0.14(3) -0.06(2) -0.03(2) 0.000(17) _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 Ag2 1.345(6) 2_577 ? Ag1 O51 1.98(2) . ? Ag1 C711 2.05(3) . ? Ag1 Ag2 2.766(6) . ? Ag1 Ag5 2.980(4) 2_577 ? Ag1 Ag12 3.267(4) 2_577 ? Ag2 Ag1 1.345(6) 2_577 ? Ag2 Ag2 1.635(8) 2_577 ? Ag2 C711 2.03(3) 2_577 ? Ag2 C711 2.44(3) . ? Ag2 O41 2.55(2) 2_577 ? Ag2 Ag15 2.640(6) 2_577 ? Ag2 Ag12 2.856(5) 2_577 ? Ag2 Ag12 2.903(4) . ? Ag2 Ag15 3.333(6) . ? Ag3 C111 2.08(2) . ? Ag3 C211 2.08(3) . ? Ag3 Ag14 2.802(3) . ? Ag3 Ag16 3.003(2) . ? Ag3 Ag9 3.100(3) . ? Ag3 Ag10 3.136(3) . ? Ag3 Ag13 3.237(3) . ? Ag4 C811 2.07(3) . ? Ag4 O61 2.127(17) . ? Ag4 Ag16 2.877(2) . ? Ag4 Ag17 2.883(3) . ? Ag4 Ag10 2.956(3) . ? Ag4 Ag11 3.072(3) . ? Ag5 C311 2.07(3) . ? Ag5 C611 2.12(2) . ? Ag5 Ag6 2.793(3) . ? Ag5 Ag12 2.954(3) . ? Ag5 Ag14 2.968(3) . ? Ag5 Ag1 2.980(4) 2_577 ? Ag5 Ag13 3.144(3) . ? Ag6 C511 2.08(3) . ? Ag6 C611 2.10(3) . ? Ag6 Ag15 2.868(3) . ? Ag6 Ag9 2.975(3) . ? Ag6 Ag13 3.373(3) . ? Ag7 C411 2.21(3) . ? Ag7 O81 2.367(16) . ? Ag7 O12 2.405(16) 2_666 ? Ag7 O1S 2.44(2) . ? Ag7 Ag8 2.890(3) . ? Ag7 Ag17 2.918(2) . ? Ag7 Ag11 3.141(3) . ? Ag8 C411 2.28(2) . ? Ag8 O81 2.349(14) 2_666 ? Ag8 O2S 2.40(2) . ? Ag8 O12 2.442(17) . ? Ag8 Ag17 2.872(3) . ? Ag9 C511 2.26(2) . ? Ag9 C211 2.29(2) . ? Ag9 O32 2.48(3) . ? Ag9 C512 2.65(3) . ? Ag9 Ag14 3.053(4) . ? Ag10 O71 2.22(3) . ? Ag10 C111 2.28(2) . ? Ag10 C811 2.37(2) . ? Ag10 C112 2.65(2) . ? Ag10 Ag11 3.278(3) . ? Ag11 O21 2.28(2) . ? Ag11 C411 2.28(3) . ? Ag11 O72 2.30(2) . ? Ag11 C412 2.60(3) . ? Ag11 Ag17 2.879(3) . ? Ag12 C311 2.09(3) . ? Ag12 C711 2.23(2) . ? Ag12 C712 2.51(2) . ? Ag12 Ag2 2.856(5) 2_577 ? Ag12 Ag1 3.267(4) 2_577 ? Ag12 Ag14 3.269(3) . ? Ag13 O22 2.33(2) . ? Ag13 C611 2.34(2) . ? Ag13 C111 2.36(2) . ? Ag13 C612 2.56(2) . ? Ag14 O42 2.15(3) . ? Ag14 C311 2.26(3) . ? Ag14 C211 2.38(2) . ? Ag15 O52 2.28(2) . ? Ag15 C511 2.32(3) . ? Ag15 C711 2.40(3) 2_577 ? Ag15 Ag2 2.640(6) 2_577 ? Ag16 C211 2.38(2) . ? Ag16 O3S 2.399(17) . ? Ag16 C811 2.423(19) . ? Ag16 C212 2.51(2) . ? Ag16 C812 2.65(2) . ? Ag17 C811 2.31(2) . ? Ag17 O82 2.363(16) . ? Ag17 C411 2.39(3) . ? Ag17 O11 2.427(15) . ? O11 C11 1.23(3) . ? O12 C11 1.19(3) . ? O12 Ag7 2.405(16) 2_666 ? C11 C12 1.53(4) . ? C12 F13 1.291(18) . ? C12 F11 1.315(19) . ? C12 F12 1.320(19) . ? O21 C21 1.23(3) . ? O22 C21 1.28(3) . ? C21 C22 1.54(3) . ? C22 F21 1.26(3) . ? C22 F22 1.30(3) . ? C22 F23 1.38(3) . ? O31 C31 1.23(3) . ? O32 C31 1.17(3) . ? C31 C32 1.53(6) . ? C32 F31 1.22(6) . ? C32 F33 1.36(6) . ? C32 F32 1.36(4) . ? O41 C41 1.25(4) . ? O41 Ag2 2.55(2) 2_577 ? O42 C41 1.28(4) . ? C41 C42 1.57(5) . ? C42 F42 1.29(4) . ? C42 F41 1.32(5) . ? C42 F43 1.37(5) . ? O51 C51 1.25(4) . ? O52 C51 1.25(4) . ? C51 C52 1.57(6) . ? C52 F53 1.20(6) . ? C52 F52 1.28(6) . ? C52 F51 1.36(6) . ? O61 C61 1.22(4) . ? O62 C61 1.23(4) . ? C61 C62 1.46(4) . ? C62 F63 1.305(19) . ? C62 F61 1.313(18) . ? C62 F62 1.341(19) . ? O71 C71 1.270(18) . ? O72 C71 1.263(18) . ? C71 C72 1.520(19) . ? C72 F71 1.324(19) . ? C72 F73 1.331(19) . ? C72 F72 1.336(19) . ? O81 C81 1.20(3) . ? O81 Ag8 2.349(14) 2_666 ? O82 C81 1.32(3) . ? C81 C82 1.46(4) . ? C82 F82 1.26(4) . ? C82 F83 1.33(4) . ? C82 F81 1.36(5) . ? C111 C112 1.19(3) . ? C112 C113 1.46(3) . ? C113 C116 1.50(4) . ? C113 C115 1.53(6) . ? C113 C114 1.53(5) . ? C211 C212 1.21(3) . ? C212 C213 1.54(3) . ? C213 C214 1.51(2) . ? C213 C216 1.52(2) . ? C213 C215 1.52(2) . ? C311 C312 1.24(4) . ? C312 C313 1.52(3) . ? C313 C316 1.45(5) . ? C313 C315 1.47(4) . ? C313 C314 1.49(5) . ? C411 C412 1.14(4) . ? C412 C413 1.54(4) . ? C413 C415 1.48(4) . ? C413 C416 1.52(5) . ? C413 C414 1.55(4) . ? C511 C512 1.21(4) . ? C512 C513 1.46(4) . ? C513 C516 1.48(5) . ? C513 C514 1.53(5) . ? C513 C515 1.53(4) . ? C611 C612 1.24(3) . ? C612 C613 1.48(3) . ? C613 C616 1.53(2) . ? C613 C615 1.53(2) . ? C613 C614 1.54(2) . ? C711 C712 1.24(4) . ? C711 Ag2 2.03(3) 2_577 ? C711 Ag15 2.40(3) 2_577 ? C712 C713 1.47(4) . ? C713 C715 1.48(5) . ? C713 C714 1.52(4) . ? C713 C716 1.55(5) . ? C811 C812 1.18(3) . ? C812 C813 1.54(3) . ? C813 C814 1.48(2) . ? C813 C815 1.48(3) . ? C813 C816 1.50(3) . ? O1S C1S 1.56(6) . ? O2S C2S 1.31(5) . ? O3S C3S 1.51(4) . ? 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 Ag2 Ag1 O51 108.8(9) 2_577 . ? Ag2 Ag1 C711 70.0(7) 2_577 . ? O51 Ag1 C711 175.2(10) . . ? Ag2 Ag1 Ag2 24.2(3) 2_577 . ? O51 Ag1 Ag2 122.3(9) . . ? C711 Ag1 Ag2 58.5(9) . . ? Ag2 Ag1 Ag5 118.1(3) 2_577 2_577 ? O51 Ag1 Ag5 63.6(6) . 2_577 ? C711 Ag1 Ag5 121.1(7) . 2_577 ? Ag2 Ag1 Ag5 103.97(14) . 2_577 ? Ag2 Ag1 Ag12 62.5(2) 2_577 2_577 ? O51 Ag1 Ag12 75.1(8) . 2_577 ? C711 Ag1 Ag12 107.9(9) . 2_577 ? Ag2 Ag1 Ag12 55.76(12) . 2_577 ? Ag5 Ag1 Ag12 56.21(8) 2_577 2_577 ? Ag1 Ag2 Ag2 136.1(4) 2_577 2_577 ? Ag1 Ag2 C711 71.6(7) 2_577 2_577 ? Ag2 Ag2 C711 82.4(9) 2_577 2_577 ? Ag1 Ag2 C711 138.4(6) 2_577 . ? Ag2 Ag2 C711 55.9(7) 2_577 . ? C711 Ag2 C711 138.3(6) 2_577 . ? Ag1 Ag2 O41 90.0(9) 2_577 2_577 ? Ag2 Ag2 O41 124.4(8) 2_577 2_577 ? C711 Ag2 O41 87.9(11) 2_577 2_577 ? C711 Ag2 O41 114.2(10) . 2_577 ? Ag1 Ag2 Ag15 122.3(3) 2_577 2_577 ? Ag2 Ag2 Ag15 99.8(3) 2_577 2_577 ? C711 Ag2 Ag15 143.2(7) 2_577 2_577 ? C711 Ag2 Ag15 56.3(7) . 2_577 ? O41 Ag2 Ag15 60.4(7) 2_577 2_577 ? Ag1 Ag2 Ag1 155.8(3) 2_577 . ? Ag2 Ag2 Ag1 19.7(2) 2_577 . ? C711 Ag2 Ag1 94.3(8) 2_577 . ? C711 Ag2 Ag1 46.0(6) . . ? O41 Ag2 Ag1 109.5(8) 2_577 . ? Ag15 Ag2 Ag1 80.83(16) 2_577 . ? Ag1 Ag2 Ag12 110.8(3) 2_577 2_577 ? Ag2 Ag2 Ag12 75.1(3) 2_577 2_577 ? C711 Ag2 Ag12 50.9(6) 2_577 2_577 ? C711 Ag2 Ag12 110.8(6) . 2_577 ? O41 Ag2 Ag12 57.3(6) 2_577 2_577 ? Ag15 Ag2 Ag12 93.81(14) 2_577 2_577 ? Ag1 Ag2 Ag12 71.04(14) . 2_577 ? Ag1 Ag2 Ag12 93.2(2) 2_577 . ? Ag2 Ag2 Ag12 72.0(3) 2_577 . ? C711 Ag2 Ag12 123.1(8) 2_577 . ? C711 Ag2 Ag12 48.4(5) . . ? O41 Ag2 Ag12 148.2(6) 2_577 . ? Ag15 Ag2 Ag12 91.73(14) 2_577 . ? Ag1 Ag2 Ag12 77.84(13) . . ? Ag12 Ag2 Ag12 147.03(16) 2_577 . ? Ag1 Ag2 Ag15 86.0(2) 2_577 . ? Ag2 Ag2 Ag15 51.3(2) 2_577 . ? C711 Ag2 Ag15 45.7(9) 2_577 . ? C711 Ag2 Ag15 99.5(7) . . ? O41 Ag2 Ag15 131.9(6) 2_577 . ? Ag15 Ag2 Ag15 151.09(16) 2_577 . ? Ag1 Ag2 Ag15 70.39(13) . . ? Ag12 Ag2 Ag15 79.69(12) 2_577 . ? Ag12 Ag2 Ag15 79.87(12) . . ? C111 Ag3 C211 166.5(9) . . ? C111 Ag3 Ag14 119.1(6) . . ? C211 Ag3 Ag14 55.9(6) . . ? C111 Ag3 Ag16 130.5(6) . . ? C211 Ag3 Ag16 52.0(6) . . ? Ag14 Ag3 Ag16 107.97(7) . . ? C111 Ag3 Ag9 144.2(6) . . ? C211 Ag3 Ag9 47.5(6) . . ? Ag14 Ag3 Ag9 62.06(8) . . ? Ag16 Ag3 Ag9 71.58(6) . . ? C111 Ag3 Ag10 46.7(6) . . ? C211 Ag3 Ag10 136.7(6) . . ? Ag14 Ag3 Ag10 165.47(9) . . ? Ag16 Ag3 Ag10 85.00(6) . . ? Ag9 Ag3 Ag10 130.33(9) . . ? C111 Ag3 Ag13 46.6(6) . . ? C211 Ag3 Ag13 144.7(6) . . ? Ag14 Ag3 Ag13 106.75(8) . . ? Ag16 Ag3 Ag13 132.25(8) . . ? Ag9 Ag3 Ag13 97.71(8) . . ? Ag10 Ag3 Ag13 66.67(6) . . ? C811 Ag4 O61 165.5(8) . . ? C811 Ag4 Ag16 55.8(5) . . ? O61 Ag4 Ag16 124.1(5) . . ? C811 Ag4 Ag17 52.6(6) . . ? O61 Ag4 Ag17 136.7(5) . . ? Ag16 Ag4 Ag17 94.85(7) . . ? C811 Ag4 Ag10 52.6(6) . . ? O61 Ag4 Ag10 114.3(5) . . ? Ag16 Ag4 Ag10 90.69(8) . . ? Ag17 Ag4 Ag10 79.51(7) . . ? C811 Ag4 Ag11 89.8(5) . . ? O61 Ag4 Ag11 89.4(5) . . ? Ag16 Ag4 Ag11 145.59(9) . . ? Ag17 Ag4 Ag11 57.73(6) . . ? Ag10 Ag4 Ag11 65.85(7) . . ? C311 Ag5 C611 170.7(11) . . ? C311 Ag5 Ag6 122.6(9) . . ? C611 Ag5 Ag6 48.1(7) . . ? C311 Ag5 Ag12 44.9(9) . . ? C611 Ag5 Ag12 131.6(7) . . ? Ag6 Ag5 Ag12 103.96(9) . . ? C311 Ag5 Ag14 49.5(8) . . ? C611 Ag5 Ag14 122.0(7) . . ? Ag6 Ag5 Ag14 75.58(9) . . ? Ag12 Ag5 Ag14 67.00(7) . . ? C311 Ag5 Ag1 111.0(8) . 2_577 ? C611 Ag5 Ag1 68.0(6) . 2_577 ? Ag6 Ag5 Ag1 76.41(10) . 2_577 ? Ag12 Ag5 Ag1 66.81(10) . 2_577 ? Ag14 Ag5 Ag1 116.85(11) . 2_577 ? C311 Ag5 Ag13 133.6(8) . . ? C611 Ag5 Ag13 48.0(6) . . ? Ag6 Ag5 Ag13 68.96(7) . . ? Ag12 Ag5 Ag13 170.98(10) . . ? Ag14 Ag5 Ag13 105.12(9) . . ? Ag1 Ag5 Ag13 115.35(11) 2_577 . ? C511 Ag6 C611 172.5(9) . . ? C511 Ag6 Ag5 131.8(9) . . ? C611 Ag6 Ag5 48.8(7) . . ? C511 Ag6 Ag15 53.1(8) . . ? C611 Ag6 Ag15 120.1(7) . . ? Ag5 Ag6 Ag15 99.35(11) . . ? C511 Ag6 Ag9 49.2(7) . . ? C611 Ag6 Ag9 137.9(6) . . ? Ag5 Ag6 Ag9 105.16(8) . . ? Ag15 Ag6 Ag9 93.51(9) . . ? C511 Ag6 Ag13 144.3(7) . . ? C611 Ag6 Ag13 43.2(6) . . ? Ag5 Ag6 Ag13 60.43(7) . . ? Ag15 Ag6 Ag13 158.98(12) . . ? Ag9 Ag6 Ag13 97.32(7) . . ? C411 Ag7 O81 138.0(8) . . ? C411 Ag7 O12 128.9(9) . 2_666 ? O81 Ag7 O12 76.1(5) . 2_666 ? C411 Ag7 O1S 118.3(10) . . ? O81 Ag7 O1S 88.6(9) . . ? O12 Ag7 O1S 92.9(8) 2_666 . ? C411 Ag7 Ag8 51.1(7) . . ? O81 Ag7 Ag8 102.7(4) . . ? O12 Ag7 Ag8 92.1(6) 2_666 . ? O1S Ag7 Ag8 168.4(8) . . ? C411 Ag7 Ag17 53.4(7) . . ? O81 Ag7 Ag17 85.7(4) . . ? O12 Ag7 Ag17 141.8(5) 2_666 . ? O1S Ag7 Ag17 120.3(6) . . ? Ag8 Ag7 Ag17 59.27(7) . . ? C411 Ag7 Ag11 46.5(7) . . ? O81 Ag7 Ag11 121.7(3) . . ? O12 Ag7 Ag11 159.0(4) 2_666 . ? O1S Ag7 Ag11 77.6(7) . . ? Ag8 Ag7 Ag11 94.15(8) . . ? Ag17 Ag7 Ag11 56.60(6) . . ? C411 Ag8 O81 136.4(7) . 2_666 ? C411 Ag8 O2S 106.9(9) . . ? O81 Ag8 O2S 103.3(8) 2_666 . ? C411 Ag8 O12 124.9(10) . . ? O81 Ag8 O12 75.7(6) 2_666 . ? O2S Ag8 O12 103.7(9) . . ? C411 Ag8 Ag17 53.8(7) . . ? O81 Ag8 Ag17 145.8(4) 2_666 . ? O2S Ag8 Ag17 101.6(8) . . ? O12 Ag8 Ag17 75.9(5) . . ? C411 Ag8 Ag7 48.8(7) . . ? O81 Ag8 Ag7 100.5(4) 2_666 . ? O2S Ag8 Ag7 154.9(6) . . ? O12 Ag8 Ag7 89.9(5) . . ? Ag17 Ag8 Ag7 60.85(7) . . ? C511 Ag9 C211 140.4(10) . . ? C511 Ag9 O32 130.2(11) . . ? C211 Ag9 O32 89.3(9) . . ? C511 Ag9 C512 27.1(9) . . ? C211 Ag9 C512 146.2(9) . . ? O32 Ag9 C512 111.7(11) . . ? C511 Ag9 Ag6 44.3(8) . . ? C211 Ag9 Ag6 112.8(6) . . ? O32 Ag9 Ag6 135.1(5) . . ? C512 Ag9 Ag6 71.2(6) . . ? C511 Ag9 Ag14 90.2(8) . . ? C211 Ag9 Ag14 50.4(6) . . ? O32 Ag9 Ag14 139.6(7) . . ? C512 Ag9 Ag14 105.4(7) . . ? Ag6 Ag9 Ag14 71.76(8) . . ? C511 Ag9 Ag3 122.0(8) . . ? C211 Ag9 Ag3 42.1(6) . . ? O32 Ag9 Ag3 96.3(7) . . ? C512 Ag9 Ag3 148.6(7) . . ? Ag6 Ag9 Ag3 79.13(7) . . ? Ag14 Ag9 Ag3 54.16(7) . . ? O71 Ag10 C111 118.6(10) . . ? O71 Ag10 C811 114.3(9) . . ? C111 Ag10 C811 116.0(7) . . ? O71 Ag10 C112 92.1(10) . . ? C111 Ag10 C112 26.6(8) . . ? C811 Ag10 C112 137.4(7) . . ? O71 Ag10 Ag4 131.0(8) . . ? C111 Ag10 Ag4 109.5(6) . . ? C811 Ag10 Ag4 44.1(6) . . ? C112 Ag10 Ag4 134.8(5) . . ? O71 Ag10 Ag3 154.7(8) . . ? C111 Ag10 Ag3 41.5(6) . . ? C811 Ag10 Ag3 76.2(5) . . ? C112 Ag10 Ag3 67.6(5) . . ? Ag4 Ag10 Ag3 73.02(7) . . ? O71 Ag10 Ag11 76.2(8) . . ? C111 Ag10 Ag11 144.5(6) . . ? C811 Ag10 Ag11 80.2(6) . . ? C112 Ag10 Ag11 140.8(5) . . ? Ag4 Ag10 Ag11 58.78(7) . . ? Ag3 Ag10 Ag11 129.01(10) . . ? O21 Ag11 C411 145.1(9) . . ? O21 Ag11 O72 92.3(8) . . ? C411 Ag11 O72 122.1(9) . . ? O21 Ag11 C412 123.7(9) . . ? C411 Ag11 C412 26.0(8) . . ? O72 Ag11 C412 142.4(9) . . ? O21 Ag11 Ag17 124.5(5) . . ? C411 Ag11 Ag17 53.7(7) . . ? O72 Ag11 Ag17 93.7(6) . . ? C412 Ag11 Ag17 75.7(6) . . ? O21 Ag11 Ag4 76.0(5) . . ? C411 Ag11 Ag4 77.2(6) . . ? O72 Ag11 Ag4 128.6(6) . . ? C412 Ag11 Ag4 76.1(7) . . ? Ag17 Ag11 Ag4 57.84(6) . . ? O21 Ag11 Ag7 170.3(5) . . ? C411 Ag11 Ag7 44.6(7) . . ? O72 Ag11 Ag7 78.0(6) . . ? C412 Ag11 Ag7 65.7(7) . . ? Ag17 Ag11 Ag7 57.80(6) . . ? Ag4 Ag11 Ag7 110.56(8) . . ? O21 Ag11 Ag10 53.5(5) . . ? C411 Ag11 Ag10 123.5(7) . . ? O72 Ag11 Ag10 77.2(6) . . ? C412 Ag11 Ag10 131.2(7) . . ? Ag17 Ag11 Ag10 74.36(7) . . ? Ag4 Ag11 Ag10 55.37(7) . . ? Ag7 Ag11 Ag10 123.69(9) . . ? C311 Ag12 C711 166.8(11) . . ? C311 Ag12 C712 141.0(10) . . ? C711 Ag12 C712 29.5(9) . . ? C311 Ag12 Ag2 143.5(8) . 2_577 ? C711 Ag12 Ag2 45.1(7) . 2_577 ? C712 Ag12 Ag2 74.4(6) . 2_577 ? C311 Ag12 Ag2 125.2(7) . . ? C711 Ag12 Ag2 54.8(8) . . ? C712 Ag12 Ag2 80.2(7) . . ? Ag2 Ag12 Ag2 32.97(16) 2_577 . ? C311 Ag12 Ag5 44.5(7) . . ? C711 Ag12 Ag5 134.7(8) . . ? C712 Ag12 Ag5 147.6(8) . . ? Ag2 Ag12 Ag5 102.42(11) 2_577 . ? Ag2 Ag12 Ag5 80.99(11) . . ? C311 Ag12 Ag1 100.9(7) . 2_577 ? C711 Ag12 Ag1 78.1(8) . 2_577 ? C712 Ag12 Ag1 100.4(7) . 2_577 ? Ag2 Ag12 Ag1 53.19(11) 2_577 2_577 ? Ag2 Ag12 Ag1 24.26(11) . 2_577 ? Ag5 Ag12 Ag1 56.98(9) . 2_577 ? C311 Ag12 Ag14 43.3(8) . . ? C711 Ag12 Ag14 149.8(8) . . ? C712 Ag12 Ag14 155.2(8) . . ? Ag2 Ag12 Ag14 110.67(13) 2_577 . ? Ag2 Ag12 Ag14 117.76(13) . . ? Ag5 Ag12 Ag14 56.70(7) . . ? Ag1 Ag12 Ag14 101.68(11) 2_577 . ? O22 Ag13 C611 124.5(8) . . ? O22 Ag13 C111 110.1(8) . . ? C611 Ag13 C111 119.1(8) . . ? O22 Ag13 C612 95.9(7) . . ? C611 Ag13 C612 28.8(8) . . ? C111 Ag13 C612 139.5(8) . . ? O22 Ag13 Ag5 151.6(6) . . ? C611 Ag13 Ag5 42.4(6) . . ? C111 Ag13 Ag5 76.8(6) . . ? C612 Ag13 Ag5 66.4(5) . . ? O22 Ag13 Ag3 135.6(5) . . ? C611 Ag13 Ag3 99.5(6) . . ? C111 Ag13 Ag3 39.8(6) . . ? C612 Ag13 Ag3 128.3(5) . . ? Ag5 Ag13 Ag3 67.27(6) . . ? O22 Ag13 Ag6 141.2(5) . . ? C611 Ag13 Ag6 37.9(6) . . ? C111 Ag13 Ag6 106.8(6) . . ? C612 Ag13 Ag6 61.7(5) . . ? Ag5 Ag13 Ag6 50.61(6) . . ? Ag3 Ag13 Ag6 71.64(6) . . ? O42 Ag14 C311 114.8(10) . . ? O42 Ag14 C211 101.6(8) . . ? C311 Ag14 C211 138.5(10) . . ? O42 Ag14 Ag3 147.5(6) . . ? C311 Ag14 Ag3 97.1(8) . . ? C211 Ag14 Ag3 46.4(6) . . ? O42 Ag14 Ag5 132.0(5) . . ? C311 Ag14 Ag5 44.2(7) . . ? C211 Ag14 Ag5 120.1(6) . . ? Ag3 Ag14 Ag5 75.50(7) . . ? O42 Ag14 Ag9 91.5(8) . . ? C311 Ag14 Ag9 143.1(7) . . ? C211 Ag14 Ag9 47.8(5) . . ? Ag3 Ag14 Ag9 63.78(7) . . ? Ag5 Ag14 Ag9 99.09(10) . . ? O42 Ag14 Ag12 81.8(6) . . ? C311 Ag14 Ag12 39.2(8) . . ? C211 Ag14 Ag12 176.3(6) . . ? Ag3 Ag14 Ag12 130.03(9) . . ? Ag5 Ag14 Ag12 56.30(7) . . ? Ag9 Ag14 Ag12 131.22(12) . . ? O52 Ag15 C511 116.7(10) . . ? O52 Ag15 C711 101.9(8) . 2_577 ? C511 Ag15 C711 124.8(9) . 2_577 ? O52 Ag15 Ag2 85.9(7) . 2_577 ? C511 Ag15 Ag2 153.3(7) . 2_577 ? C711 Ag15 Ag2 57.5(7) 2_577 2_577 ? O52 Ag15 Ag6 159.1(7) . . ? C511 Ag15 Ag6 45.8(7) . . ? C711 Ag15 Ag6 85.7(5) 2_577 . ? Ag2 Ag15 Ag6 114.29(18) 2_577 . ? O52 Ag15 Ag2 109.1(7) . . ? C511 Ag15 Ag2 134.2(7) . . ? C711 Ag15 Ag2 37.3(7) 2_577 . ? Ag2 Ag15 Ag2 28.91(16) 2_577 . ? Ag6 Ag15 Ag2 88.86(13) . . ? C211 Ag16 O3S 141.4(7) . . ? C211 Ag16 C811 121.0(8) . . ? O3S Ag16 C811 90.0(7) . . ? C211 Ag16 C212 28.5(8) . . ? O3S Ag16 C212 114.0(7) . . ? C811 Ag16 C212 146.7(9) . . ? C211 Ag16 C812 114.2(8) . . ? O3S Ag16 C812 82.8(7) . . ? C811 Ag16 C812 26.5(7) . . ? C212 Ag16 C812 129.9(8) . . ? C211 Ag16 Ag4 111.4(6) . . ? O3S Ag16 Ag4 106.8(5) . . ? C811 Ag16 Ag4 45.0(6) . . ? C212 Ag16 Ag4 135.3(5) . . ? C812 Ag16 Ag4 71.3(5) . . ? C211 Ag16 Ag3 43.5(6) . . ? O3S Ag16 Ag3 160.0(6) . . ? C811 Ag16 Ag3 78.2(5) . . ? C212 Ag16 Ag3 71.8(6) . . ? C812 Ag16 Ag3 79.5(5) . . ? Ag4 Ag16 Ag3 76.16(7) . . ? C811 Ag17 O82 102.5(7) . . ? C811 Ag17 C411 124.1(9) . . ? O82 Ag17 C411 121.2(7) . . ? C811 Ag17 O11 89.1(6) . . ? O82 Ag17 O11 86.0(7) . . ? C411 Ag17 O11 124.3(8) . . ? C811 Ag17 Ag8 140.0(6) . . ? O82 Ag17 Ag8 112.4(4) . . ? C411 Ag17 Ag8 50.4(6) . . ? O11 Ag17 Ag8 75.0(4) . . ? C811 Ag17 Ag11 90.2(5) . . ? O82 Ag17 Ag11 102.4(4) . . ? C411 Ag17 Ag11 50.2(6) . . ? O11 Ag17 Ag11 171.6(5) . . ? Ag8 Ag17 Ag11 100.42(8) . . ? C811 Ag17 Ag4 45.4(6) . . ? O82 Ag17 Ag4 141.5(4) . . ? C411 Ag17 Ag4 79.6(6) . . ? O11 Ag17 Ag4 109.6(5) . . ? Ag8 Ag17 Ag4 105.65(9) . . ? Ag11 Ag17 Ag4 64.43(7) . . ? C811 Ag17 Ag7 153.5(5) . . ? O82 Ag17 Ag7 74.2(3) . . ? C411 Ag17 Ag7 47.8(6) . . ? O11 Ag17 Ag7 116.4(4) . . ? Ag8 Ag17 Ag7 59.88(7) . . ? Ag11 Ag17 Ag7 65.61(7) . . ? Ag4 Ag17 Ag7 123.35(8) . . ? C11 O11 Ag17 111.7(14) . . ? C11 O12 Ag7 143.5(17) . 2_666 ? C11 O12 Ag8 113.4(16) . . ? Ag7 O12 Ag8 100.7(6) 2_666 . ? O12 C11 O11 130(2) . . ? O12 C11 C12 115(2) . . ? O11 C11 C12 114.9(19) . . ? F13 C12 F11 111(3) . . ? F13 C12 F12 100(3) . . ? F11 C12 F12 96(3) . . ? F13 C12 C11 117(2) . . ? F11 C12 C11 116(2) . . ? F12 C12 C11 113(3) . . ? C21 O21 Ag11 136.8(18) . . ? C21 O22 Ag13 117.7(17) . . ? O21 C21 O22 124(2) . . ? O21 C21 C22 120(3) . . ? O22 C21 C22 115(2) . . ? F21 C22 F22 113(3) . . ? F21 C22 F23 108(2) . . ? F22 C22 F23 107(2) . . ? F21 C22 C21 110(2) . . ? F22 C22 C21 110(2) . . ? F23 C22 C21 108(2) . . ? C31 O32 Ag9 168(2) . . ? O32 C31 O31 142(3) . . ? O32 C31 C32 107(3) . . ? O31 C31 C32 111(3) . . ? F31 C32 F33 96(5) . . ? F31 C32 F32 116(4) . . ? F33 C32 F32 100(4) . . ? F31 C32 C31 120(4) . . ? F33 C32 C31 110(4) . . ? F32 C32 C31 112(4) . . ? C41 O41 Ag2 174(3) . 2_577 ? C41 O42 Ag14 123(2) . . ? O41 C41 O42 126(3) . . ? O41 C41 C42 112(3) . . ? O42 C41 C42 122(3) . . ? F42 C42 F41 108(4) . . ? F42 C42 F43 112(3) . . ? F41 C42 F43 109(4) . . ? F42 C42 C41 114(3) . . ? F41 C42 C41 107(3) . . ? F43 C42 C41 106(4) . . ? C51 O51 Ag1 135(2) . . ? C51 O52 Ag15 131(2) . . ? O51 C51 O52 128(3) . . ? O51 C51 C52 119(3) . . ? O52 C51 C52 113(4) . . ? F53 C52 F52 113(5) . . ? F53 C52 F51 108(4) . . ? F52 C52 F51 109(5) . . ? F53 C52 C51 113(5) . . ? F52 C52 C51 109(3) . . ? F51 C52 C51 105(4) . . ? C61 O61 Ag4 116.0(19) . . ? O61 C61 O62 129(3) . . ? O61 C61 C62 118(3) . . ? O62 C61 C62 113(3) . . ? F63 C62 F61 107(3) . . ? F63 C62 F62 87(2) . . ? F61 C62 F62 105(3) . . ? F63 C62 C61 115(3) . . ? F61 C62 C61 123(3) . . ? F62 C62 C61 114(3) . . ? C71 O71 Ag10 133(3) . . ? C71 O72 Ag11 128(2) . . ? O72 C71 O71 125(3) . . ? O72 C71 C72 119(3) . . ? O71 C71 C72 116(3) . . ? F71 C72 F73 105(4) . . ? F71 C72 F72 127(5) . . ? F73 C72 F72 95(4) . . ? F71 C72 C71 110(4) . . ? F73 C72 C71 109(4) . . ? F72 C72 C71 109(4) . . ? C81 O81 Ag8 133.0(16) . 2_666 ? C81 O81 Ag7 115.6(15) . . ? Ag8 O81 Ag7 104.6(6) 2_666 . ? C81 O82 Ag17 125.3(15) . . ? O81 C81 O82 127(2) . . ? O81 C81 C82 118(2) . . ? O82 C81 C82 114(2) . . ? F82 C82 F83 109(3) . . ? F82 C82 F81 99(4) . . ? F83 C82 F81 100(3) . . ? F82 C82 C81 121(3) . . ? F83 C82 C81 113(3) . . ? F81 C82 C81 113(3) . . ? C112 C111 Ag3 166(2) . . ? C112 C111 Ag10 94.1(18) . . ? Ag3 C111 Ag10 91.8(8) . . ? C112 C111 Ag13 98.6(16) . . ? Ag3 C111 Ag13 93.6(9) . . ? Ag10 C111 Ag13 98.0(9) . . ? C111 C112 C113 171(3) . . ? C111 C112 Ag10 59.3(15) . . ? C113 C112 Ag10 130(2) . . ? C112 C113 C116 111(3) . . ? C112 C113 C115 109(3) . . ? C116 C113 C115 106(3) . . ? C112 C113 C114 108(2) . . ? C116 C113 C114 114(3) . . ? C115 C113 C114 108(3) . . ? C212 C211 Ag3 163.5(19) . . ? C212 C211 Ag9 101.1(19) . . ? Ag3 C211 Ag9 90.4(8) . . ? C212 C211 Ag14 115.5(18) . . ? Ag3 C211 Ag14 77.6(8) . . ? Ag9 C211 Ag14 81.8(7) . . ? C212 C211 Ag16 82.0(16) . . ? Ag3 C211 Ag16 84.4(8) . . ? Ag9 C211 Ag16 99.8(9) . . ? Ag14 C211 Ag16 162.0(12) . . ? C211 C212 C213 168(3) . . ? C211 C212 Ag16 69.5(15) . . ? C213 C212 Ag16 117.7(15) . . ? C214 C213 C216 109(3) . . ? C214 C213 C215 119(3) . . ? C216 C213 C215 109(2) . . ? C214 C213 C212 100(2) . . ? C216 C213 C212 110.1(19) . . ? C215 C213 C212 110.0(19) . . ? C312 C311 Ag5 147(3) . . ? C312 C311 Ag12 119(2) . . ? Ag5 C311 Ag12 90.6(12) . . ? C312 C311 Ag14 102.5(18) . . ? Ag5 C311 Ag14 86.3(11) . . ? Ag12 C311 Ag14 97.4(13) . . ? C311 C312 C313 178(3) . . ? C316 C313 C315 109(3) . . ? C316 C313 C314 114(3) . . ? C315 C313 C314 109(3) . . ? C316 C313 C312 109(2) . . ? C315 C313 C312 108(3) . . ? C314 C313 C312 108(2) . . ? C412 C411 Ag7 138(2) . . ? C412 C411 Ag11 93(2) . . ? Ag7 C411 Ag11 88.9(11) . . ? C412 C411 Ag8 113(2) . . ? Ag7 C411 Ag8 80.1(8) . . ? Ag11 C411 Ag8 151.3(15) . . ? C412 C411 Ag17 143(2) . . ? Ag7 C411 Ag17 78.7(10) . . ? Ag11 C411 Ag17 76.1(9) . . ? Ag8 C411 Ag17 75.8(8) . . ? C411 C412 C413 170(3) . . ? C411 C412 Ag11 61.0(19) . . ? C413 C412 Ag11 121.5(18) . . ? C415 C413 C416 111(3) . . ? C415 C413 C412 111(2) . . ? C416 C413 C412 108(2) . . ? C415 C413 C414 109(2) . . ? C416 C413 C414 108(2) . . ? C412 C413 C414 109(2) . . ? C512 C511 Ag6 172(3) . . ? C512 C511 Ag9 95(2) . . ? Ag6 C511 Ag9 86.5(9) . . ? C512 C511 Ag15 103(2) . . ? Ag6 C511 Ag15 81.0(11) . . ? Ag9 C511 Ag15 136.8(15) . . ? C511 C512 C513 173(3) . . ? C511 C512 Ag9 58.2(17) . . ? C513 C512 Ag9 129(2) . . ? C512 C513 C516 111(3) . . ? C512 C513 C514 113(3) . . ? C516 C513 C514 112(3) . . ? C512 C513 C515 109(3) . . ? C516 C513 C515 108(3) . . ? C514 C513 C515 104(3) . . ? C612 C611 Ag6 138(2) . . ? C612 C611 Ag5 139(2) . . ? Ag6 C611 Ag5 83.0(9) . . ? C612 C611 Ag13 85.6(16) . . ? Ag6 C611 Ag13 99.0(10) . . ? Ag5 C611 Ag13 89.6(8) . . ? C611 C612 C613 171(2) . . ? C611 C612 Ag13 65.6(14) . . ? C613 C612 Ag13 123.3(15) . . ? C612 C613 C616 111.0(19) . . ? C612 C613 C615 109.1(19) . . ? C616 C613 C615 114(2) . . ? C612 C613 C614 105.1(18) . . ? C616 C613 C614 106(2) . . ? C615 C613 C614 112(2) . . ? C712 C711 Ag2 169(3) . 2_577 ? C712 C711 Ag1 141(2) . . ? Ag2 C711 Ag1 38.4(5) 2_577 . ? C712 C711 Ag12 87.9(16) . . ? Ag2 C711 Ag12 84.0(8) 2_577 . ? Ag1 C711 Ag12 112.6(12) . . ? C712 C711 Ag15 93(2) . 2_577 ? Ag2 C711 Ag15 97.1(13) 2_577 2_577 ? Ag1 C711 Ag15 103.5(12) . 2_577 ? Ag12 C711 Ag15 118.6(12) . 2_577 ? C712 C711 Ag2 143(2) . . ? Ag2 C711 Ag2 41.7(6) 2_577 . ? Ag1 C711 Ag2 75.5(9) . . ? Ag12 C711 Ag2 76.9(7) . . ? Ag15 C711 Ag2 66.2(9) 2_577 . ? C711 C712 C713 171(3) . . ? C711 C712 Ag12 62.6(14) . . ? C713 C712 Ag12 121.6(17) . . ? C712 C713 C715 110(2) . . ? C712 C713 C714 110(3) . . ? C715 C713 C714 106(3) . . ? C712 C713 C716 105(3) . . ? C715 C713 C716 117(3) . . ? C714 C713 C716 109(2) . . ? C812 C811 Ag4 164.7(18) . . ? C812 C811 Ag17 112.4(17) . . ? Ag4 C811 Ag17 82.0(9) . . ? C812 C811 Ag10 97.0(19) . . ? Ag4 C811 Ag10 83.2(7) . . ? Ag17 C811 Ag10 105.9(7) . . ? C812 C811 Ag16 87.7(13) . . ? Ag4 C811 Ag16 79.1(8) . . ? Ag17 C811 Ag16 127.1(11) . . ? Ag10 C811 Ag16 120.1(9) . . ? C811 C812 C813 172(2) . . ? C811 C812 Ag16 65.9(13) . . ? C813 C812 Ag16 121.3(12) . . ? C814 C813 C815 110.3(17) . . ? C814 C813 C816 108.4(16) . . ? C815 C813 C816 108.7(17) . . ? C814 C813 C812 113(2) . . ? C815 C813 C812 103(2) . . ? C816 C813 C812 113(2) . . ? C1S O1S Ag7 120(2) . . ? C2S O2S Ag8 128(2) . . ? C3S O3S Ag16 121(2) . . ? _diffrn_measured_fraction_theta_max 0.858 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.979 _refine_diff_density_max 3.269 _refine_diff_density_min -2.052 _refine_diff_density_rms 0.383 #======================================END