data_71205d _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C18 H16 Ag2 Cl2 F6 N6 O10 S5' _chemical_formula_weight 1037.31 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'F' 'F' 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ag' 'Ag' -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Tetragonal _symmetry_space_group_name_H-M I4(1)/a loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-y+3/4, x+1/4, z+1/4' 'y+3/4, -x+3/4, z+3/4' 'x+1/2, y+1/2, z+1/2' '-x+1, -y+1/2, z+1' '-y+5/4, x+3/4, z+3/4' 'y+5/4, -x+5/4, z+5/4' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'y-3/4, -x-1/4, -z-1/4' '-y-3/4, x-3/4, -z-3/4' '-x+1/2, -y+1/2, -z+1/2' 'x, y+1/2, -z' 'y-1/4, -x+1/4, -z+1/4' '-y-1/4, x-1/4, -z-1/4' _cell_length_a 29.635(2) _cell_length_b 29.635(2) _cell_length_c 15.200(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 13350(2) _cell_formula_units_Z 16 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 6284 _cell_measurement_theta_min 2.458 _cell_measurement_theta_max 26.818 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.064 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 8128 _exptl_absorpt_coefficient_mu 1.738 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7225 _exptl_absorpt_correction_T_max 0.8734 _exptl_absorpt_process_details sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 27721 _diffrn_reflns_av_R_equivalents 0.0634 _diffrn_reflns_av_sigmaI/netI 0.0456 _diffrn_reflns_limit_h_min -35 _diffrn_reflns_limit_h_max 33 _diffrn_reflns_limit_k_min -35 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.94 _diffrn_reflns_theta_max 25.03 _reflns_number_total 5907 _reflns_number_gt 5034 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0580P)^2^+7.8143P] 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 5907 _refine_ls_number_parameters 474 _refine_ls_number_restraints 16 _refine_ls_R_factor_all 0.0610 _refine_ls_R_factor_gt 0.0493 _refine_ls_wR_factor_ref 0.1100 _refine_ls_wR_factor_gt 0.1046 _refine_ls_goodness_of_fit_ref 1.098 _refine_ls_restrained_S_all 1.099 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.741735(13) 1.000556(12) 0.83085(2) 0.01702(12) Uani 1 1 d . . . Ag2 Ag 0.432935(14) 0.794815(14) 0.57602(3) 0.02611(13) Uani 1 1 d . . . C1 C 0.4793(2) 0.8168(2) 0.2367(4) 0.0414(17) Uani 1 1 d . . . H1A H 0.4768 0.8498 0.2344 0.062 Uiso 1 1 calc R . . H1B H 0.4628 0.8036 0.1872 0.062 Uiso 1 1 calc R . . H1C H 0.5112 0.8081 0.2331 0.062 Uiso 1 1 calc R . . C2 C 0.49432(16) 0.81712(17) 0.4121(3) 0.0156(11) Uani 1 1 d . . . C3 C 0.54987(16) 0.85454(17) 0.4648(3) 0.0157(11) Uani 1 1 d . . . C4 C 0.58706(16) 0.88665(16) 0.4615(3) 0.0130(10) Uani 1 1 d . . . C5 C 0.60733(16) 0.89696(16) 0.3814(3) 0.0152(10) Uani 1 1 d . . . H5 H 0.5976 0.8825 0.3290 0.018 Uiso 1 1 calc R . . C6 C 0.64169(16) 0.92838(16) 0.3786(3) 0.0139(10) Uani 1 1 d . . . C7 C 0.66253(17) 0.93795(16) 0.2924(3) 0.0157(11) Uani 1 1 d . . . C8 C 0.66771(18) 0.93334(17) 0.1532(3) 0.0206(12) Uani 1 1 d . . . C9 C 0.6012(2) 0.8952(2) 0.0563(4) 0.0418(17) Uani 1 1 d . . . H9A H 0.6014 0.8714 0.1011 0.063 Uiso 1 1 calc R . . H9B H 0.5920 0.8823 -0.0004 0.063 Uiso 1 1 calc R . . H9C H 0.5799 0.9189 0.0735 0.063 Uiso 1 1 calc R . . C10 C 0.65614(16) 0.95074(17) 0.4546(3) 0.0172(11) Uani 1 1 d . . . H10 H 0.6793 0.9728 0.4520 0.021 Uiso 1 1 calc R . . C11 C 0.63562(16) 0.93977(16) 0.5342(3) 0.0149(10) Uani 1 1 d . . . C12 C 0.60124(16) 0.90815(16) 0.5378(3) 0.0155(11) Uani 1 1 d . . . H12 H 0.5874 0.9012 0.5925 0.019 Uiso 1 1 calc R . . C13 C 0.65026(17) 0.95972(16) 0.6176(3) 0.0168(11) Uani 1 1 d . . . C14 C 0.64382(16) 0.97183(16) 0.7552(3) 0.0150(10) Uani 1 1 d . . . C15 C 0.5655(2) 0.9498(2) 0.8377(4) 0.0440(17) Uani 1 1 d . . . H15A H 0.5487 0.9699 0.7982 0.066 Uiso 1 1 calc R . . H15B H 0.5490 0.9467 0.8933 0.066 Uiso 1 1 calc R . . H15C H 0.5686 0.9201 0.8101 0.066 Uiso 1 1 calc R . . C16 C 0.4292(3) 0.9358(2) 0.4353(5) 0.0516(19) Uani 1 1 d . . . C17 C 0.6784(2) 0.7981(2) 0.2114(5) 0.053(2) Uani 1 1 d . . . C18 C 0.9429(6) 0.9904(7) 0.7818(16) 0.071(8) Uani 0.47(3) 1 d PDU A 1 H18A H 0.9656 0.9662 0.7889 0.085 Uiso 0.47(3) 1 calc PR A 1 H18B H 0.9304 0.9972 0.8407 0.085 Uiso 0.47(3) 1 calc PR A 1 C18' C 0.9446(5) 0.9792(5) 0.731(2) 0.093(9) Uani 0.53(3) 1 d PDU A 2 H18C H 0.9655 0.9649 0.6886 0.112 Uiso 0.53(3) 1 calc PR A 2 H18D H 0.9438 0.9599 0.7840 0.112 Uiso 0.53(3) 1 calc PR A 2 Cl1 Cl 0.9691(5) 1.0372(4) 0.7431(10) 0.065(3) Uani 0.47(3) 1 d PD A 1 Cl2 Cl 0.9008(6) 0.9709(4) 0.7171(7) 0.080(4) Uani 0.47(3) 1 d PD A 1 Cl1' Cl 0.9670(5) 1.0299(6) 0.7604(13) 0.110(4) Uani 0.53(3) 1 d PD A 2 Cl2' Cl 0.8926(4) 0.9791(5) 0.6862(17) 0.107(5) Uani 0.53(3) 1 d PD A 2 F1 F 0.3964(2) 0.93803(19) 0.3761(3) 0.1012(19) Uani 1 1 d . . . F2 F 0.46364(19) 0.91362(16) 0.4016(4) 0.099(2) Uani 1 1 d . . . F3 F 0.44177(17) 0.97745(15) 0.4504(4) 0.0847(17) Uani 1 1 d . . . F4 F 0.67649(15) 0.80172(16) 0.1251(3) 0.0688(13) Uani 1 1 d . . . F5 F 0.69358(13) 0.83822(15) 0.2434(3) 0.0678(13) Uani 1 1 d . . . F6 F 0.70823(15) 0.76745(19) 0.2320(4) 0.100(2) Uani 1 1 d . . . N1 N 0.68371(13) 0.98579(14) 0.7330(2) 0.0156(9) Uani 1 1 d . . . N2 N 0.68745(13) 0.97800(13) 0.6422(2) 0.0148(9) Uani 1 1 d . . . N3 N 0.69853(13) 0.95962(14) 0.2714(2) 0.0168(9) Uani 1 1 d . . . N4 N 0.70192(14) 0.95728(15) 0.1792(3) 0.0202(10) Uani 1 1 d . . . N5 N 0.49419(13) 0.81032(13) 0.4965(3) 0.0175(9) Uani 1 1 d . . . N6 N 0.53087(13) 0.83484(13) 0.5305(3) 0.0161(9) Uani 1 1 d . . . O1 O 0.52881(11) 0.84429(11) 0.3872(2) 0.0160(7) Uani 1 1 d . . . O2 O 0.64113(11) 0.92038(12) 0.2210(2) 0.0205(8) Uani 1 1 d . . . O3 O 0.62034(11) 0.95589(11) 0.6862(2) 0.0174(8) Uani 1 1 d . . . O4 O 0.39591(14) 0.86457(13) 0.5068(3) 0.0432(11) Uani 1 1 d . . . O5 O 0.37296(16) 0.93742(15) 0.5619(3) 0.0515(13) Uani 1 1 d . . . O6 O 0.44783(18) 0.90852(19) 0.5900(3) 0.0678(16) Uani 1 1 d . . . O7 O 0.37860(17) 0.74607(16) 0.5205(3) 0.0578(14) Uani 1 1 d . . . H7A H 0.3744 0.7248 0.5560 0.069 Uiso 1 1 d R . . H7B H 0.3742 0.7330 0.4662 0.069 Uiso 1 1 d R . . O8 O 0.59605(13) 0.82152(14) 0.2267(3) 0.0356(10) Uani 1 1 d . . . O9 O 0.63083(18) 0.78644(18) 0.3512(3) 0.0604(15) Uani 1 1 d . . . O10 O 0.61274(16) 0.74262(14) 0.2208(3) 0.0531(13) Uani 1 1 d . . . S1 S 0.65629(5) 0.91872(6) 0.04651(9) 0.0397(4) Uani 1 1 d . . . S2 S 0.45581(5) 0.79659(5) 0.33834(9) 0.0238(3) Uani 1 1 d . . . S3 S 0.62045(5) 0.97307(5) 0.85866(9) 0.0308(4) Uani 1 1 d . . . S4 S 0.40882(5) 0.90861(5) 0.53498(10) 0.0322(4) Uani 1 1 d . . . S5 S 0.62309(5) 0.78554(5) 0.25788(10) 0.0295(3) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.0192(2) 0.0179(2) 0.0140(2) -0.00094(15) 0.00119(15) 0.00099(15) Ag2 0.0255(2) 0.0316(3) 0.0213(2) 0.00577(18) 0.00750(17) -0.00528(17) C1 0.028(3) 0.080(5) 0.016(3) 0.002(3) -0.002(3) -0.019(3) C2 0.013(3) 0.022(3) 0.012(3) -0.003(2) 0.0033(19) -0.002(2) C3 0.011(3) 0.024(3) 0.013(3) -0.002(2) 0.0019(19) 0.001(2) C4 0.013(3) 0.013(3) 0.013(2) 0.0007(19) 0.0004(19) -0.0009(19) C5 0.019(3) 0.016(3) 0.010(2) -0.003(2) -0.004(2) -0.0049(19) C6 0.017(3) 0.014(3) 0.011(2) 0.0003(19) 0.0015(19) 0.0004(19) C7 0.021(3) 0.015(3) 0.011(2) 0.0001(19) 0.000(2) -0.006(2) C8 0.023(3) 0.026(3) 0.014(3) 0.003(2) 0.003(2) -0.007(2) C9 0.041(4) 0.062(5) 0.022(3) -0.002(3) -0.011(3) -0.026(3) C10 0.013(3) 0.019(3) 0.019(3) 0.001(2) 0.000(2) -0.008(2) C11 0.016(3) 0.014(3) 0.014(3) -0.0011(19) 0.000(2) 0.0017(19) C12 0.020(3) 0.018(3) 0.008(2) 0.0033(19) 0.0027(19) -0.002(2) C13 0.021(3) 0.019(3) 0.010(2) 0.002(2) 0.000(2) -0.001(2) C14 0.017(3) 0.014(3) 0.014(3) -0.002(2) -0.005(2) 0.0018(19) C15 0.026(4) 0.073(5) 0.033(4) -0.009(3) 0.013(3) -0.013(3) C16 0.052(5) 0.041(4) 0.062(5) 0.011(4) 0.019(4) 0.012(3) C17 0.037(4) 0.043(5) 0.078(6) 0.026(4) 0.003(4) -0.003(3) C18 0.064(13) 0.080(16) 0.067(15) 0.042(11) 0.021(10) 0.013(11) C18' 0.071(14) 0.076(13) 0.13(2) 0.006(13) 0.039(14) 0.022(10) Cl1 0.047(4) 0.050(4) 0.098(6) 0.025(5) 0.010(4) -0.005(3) Cl2 0.115(10) 0.050(4) 0.075(5) -0.005(4) -0.002(4) -0.023(5) Cl1' 0.070(6) 0.142(11) 0.118(9) -0.064(8) -0.005(6) 0.010(8) Cl2' 0.058(4) 0.071(6) 0.194(13) -0.082(7) -0.013(6) 0.011(4) F1 0.142(5) 0.098(4) 0.063(3) 0.034(3) -0.020(3) 0.017(4) F2 0.116(4) 0.057(3) 0.123(5) 0.031(3) 0.090(4) 0.034(3) F3 0.084(4) 0.035(3) 0.135(5) 0.022(3) 0.048(3) 0.002(2) F4 0.060(3) 0.082(3) 0.064(3) 0.010(2) 0.036(2) -0.003(2) F5 0.044(3) 0.075(3) 0.085(3) 0.016(3) 0.000(2) -0.031(2) F6 0.042(3) 0.099(4) 0.160(6) 0.057(4) 0.018(3) 0.031(3) N1 0.015(2) 0.023(2) 0.009(2) -0.0041(17) -0.0008(16) -0.0024(17) N2 0.015(2) 0.018(2) 0.011(2) -0.0008(16) 0.0032(17) -0.0039(17) N3 0.019(2) 0.021(2) 0.010(2) -0.0014(17) -0.0002(17) -0.0043(17) N4 0.023(2) 0.030(3) 0.007(2) 0.0040(18) 0.0037(17) -0.0080(19) N5 0.015(2) 0.017(2) 0.020(2) 0.0016(18) -0.0005(18) -0.0050(17) N6 0.017(2) 0.016(2) 0.015(2) 0.0017(17) -0.0018(17) -0.0049(17) O1 0.0158(18) 0.0214(19) 0.0107(17) 0.0005(14) 0.0001(14) -0.0082(14) O2 0.020(2) 0.033(2) 0.0084(17) 0.0006(15) 0.0009(14) -0.0131(16) O3 0.0138(18) 0.028(2) 0.0101(17) -0.0036(14) 0.0031(14) -0.0035(14) O4 0.042(3) 0.025(2) 0.062(3) 0.001(2) 0.004(2) 0.0045(19) O5 0.047(3) 0.035(3) 0.073(3) -0.004(2) 0.026(2) 0.005(2) O6 0.067(4) 0.072(4) 0.065(4) 0.004(3) -0.032(3) 0.009(3) O7 0.085(4) 0.058(3) 0.030(3) 0.007(2) -0.012(2) -0.039(3) O8 0.032(2) 0.035(2) 0.039(2) -0.0087(19) 0.0047(19) 0.0006(18) O9 0.070(4) 0.073(4) 0.038(3) 0.023(2) -0.006(2) -0.029(3) O10 0.060(3) 0.026(3) 0.073(4) -0.010(2) 0.032(3) -0.014(2) S1 0.0374(9) 0.0710(12) 0.0107(7) -0.0055(7) 0.0004(6) -0.0266(8) S2 0.0203(7) 0.0315(8) 0.0196(7) -0.0029(6) -0.0027(5) -0.0115(6) S3 0.0335(9) 0.0458(10) 0.0131(7) -0.0080(6) 0.0067(6) -0.0068(7) S4 0.0300(8) 0.0306(9) 0.0361(9) 0.0058(7) 0.0039(7) 0.0040(6) S5 0.0298(8) 0.0269(8) 0.0318(8) 0.0037(6) 0.0071(6) -0.0073(6) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 N2 2.274(4) 3_655 ? Ag1 N4 2.293(4) 4_465 ? Ag1 N3 2.311(4) 2_675 ? Ag1 N1 2.316(4) . ? Ag2 N5 2.229(4) . ? Ag2 N6 2.282(4) 12_767 ? Ag2 O7 2.322(4) . ? Ag2 O4 2.566(4) . ? C1 S2 1.798(6) . ? C1 H1A 0.9800 . ? C1 H1B 0.9800 . ? C1 H1C 0.9800 . ? C2 N5 1.298(6) . ? C2 O1 1.355(6) . ? C2 S2 1.712(5) . ? C3 N6 1.286(6) . ? C3 O1 1.368(5) . ? C3 C4 1.457(7) . ? C4 C12 1.388(6) . ? C4 C5 1.391(6) . ? C5 C6 1.380(6) . ? C5 H5 0.9500 . ? C6 C10 1.399(6) . ? C6 C7 1.477(6) . ? C7 N3 1.285(6) . ? C7 O2 1.360(5) . ? C8 N4 1.299(6) . ? C8 O2 1.353(6) . ? C8 S1 1.713(5) . ? C9 S1 1.781(6) . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 C11 1.392(7) . ? C10 H10 0.9500 . ? C11 C12 1.385(7) . ? C11 C13 1.465(6) . ? C12 H12 0.9500 . ? C13 N2 1.284(6) . ? C13 O3 1.373(6) . ? C14 N1 1.297(6) . ? C14 O3 1.345(5) . ? C14 S3 1.719(5) . ? C15 S3 1.798(6) . ? C15 H15A 0.9800 . ? C15 H15B 0.9800 . ? C15 H15C 0.9800 . ? C16 F3 1.310(8) . ? C16 F2 1.318(8) . ? C16 F1 1.326(9) . ? C16 S4 1.819(7) . ? C17 F6 1.307(8) . ? C17 F4 1.317(9) . ? C17 F5 1.361(8) . ? C17 S5 1.822(7) . ? C18 Cl2 1.690(10) . ? C18 Cl1 1.695(9) . ? C18 H18A 0.9900 . ? C18 H18B 0.9900 . ? C18' Cl2' 1.684(10) . ? C18' Cl1' 1.699(10) . ? C18' H18C 0.9900 . ? C18' H18D 0.9900 . ? N1 N2 1.403(5) . ? N2 Ag1 2.274(4) 4_464 ? N3 N4 1.408(5) . ? N3 Ag1 2.311(4) 2_674 ? N4 Ag1 2.293(4) 3_654 ? N5 N6 1.406(5) . ? N6 Ag2 2.282(4) 15_566 ? O4 S4 1.426(4) . ? O5 S4 1.424(4) . ? O6 S4 1.426(5) . ? O7 H7A 0.8400 . ? O7 H7B 0.9207 . ? O8 S5 1.416(4) . ? O9 S5 1.437(5) . ? O10 S5 1.424(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 N2 Ag1 N4 114.42(14) 3_655 4_465 ? N2 Ag1 N3 106.15(14) 3_655 2_675 ? N4 Ag1 N3 106.39(15) 4_465 2_675 ? N2 Ag1 N1 113.64(14) 3_655 . ? N4 Ag1 N1 101.77(15) 4_465 . ? N3 Ag1 N1 114.46(14) 2_675 . ? N5 Ag2 N6 138.06(14) . 12_767 ? N5 Ag2 O7 119.72(16) . . ? N6 Ag2 O7 94.29(15) 12_767 . ? N5 Ag2 O4 87.70(14) . . ? N6 Ag2 O4 116.05(14) 12_767 . ? O7 Ag2 O4 93.19(16) . . ? S2 C1 H1A 109.5 . . ? S2 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? S2 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? N5 C2 O1 111.7(4) . . ? N5 C2 S2 126.2(4) . . ? O1 C2 S2 122.1(3) . . ? N6 C3 O1 111.6(4) . . ? N6 C3 C4 130.9(4) . . ? O1 C3 C4 117.4(4) . . ? C12 C4 C5 120.0(4) . . ? C12 C4 C3 120.0(4) . . ? C5 C4 C3 120.0(4) . . ? C6 C5 C4 119.6(4) . . ? C6 C5 H5 120.2 . . ? C4 C5 H5 120.2 . . ? C5 C6 C10 121.3(4) . . ? C5 C6 C7 117.7(4) . . ? C10 C6 C7 120.9(4) . . ? N3 C7 O2 112.4(4) . . ? N3 C7 C6 131.5(4) . . ? O2 C7 C6 116.1(4) . . ? N4 C8 O2 112.3(4) . . ? N4 C8 S1 125.4(4) . . ? O2 C8 S1 122.3(4) . . ? S1 C9 H9A 109.5 . . ? S1 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? S1 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C11 C10 C6 118.2(4) . . ? C11 C10 H10 120.9 . . ? C6 C10 H10 120.9 . . ? C12 C11 C10 120.9(4) . . ? C12 C11 C13 117.2(4) . . ? C10 C11 C13 121.9(4) . . ? C11 C12 C4 120.0(4) . . ? C11 C12 H12 120.0 . . ? C4 C12 H12 120.0 . . ? N2 C13 O3 111.6(4) . . ? N2 C13 C11 132.6(4) . . ? O3 C13 C11 115.6(4) . . ? N1 C14 O3 112.4(4) . . ? N1 C14 S3 126.8(4) . . ? O3 C14 S3 120.9(4) . . ? S3 C15 H15A 109.5 . . ? S3 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? S3 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? F3 C16 F2 108.5(6) . . ? F3 C16 F1 106.3(6) . . ? F2 C16 F1 109.2(7) . . ? F3 C16 S4 111.5(5) . . ? F2 C16 S4 111.1(5) . . ? F1 C16 S4 110.1(5) . . ? F6 C17 F4 108.8(7) . . ? F6 C17 F5 107.3(7) . . ? F4 C17 F5 107.5(5) . . ? F6 C17 S5 111.9(5) . . ? F4 C17 S5 111.4(5) . . ? F5 C17 S5 109.8(5) . . ? Cl2 C18 Cl1 114.6(12) . . ? Cl2 C18 H18A 108.6 . . ? Cl1 C18 H18A 108.6 . . ? Cl2 C18 H18B 108.6 . . ? Cl1 C18 H18B 108.6 . . ? H18A C18 H18B 107.6 . . ? Cl2' C18' Cl1' 117.7(12) . . ? Cl2' C18' H18C 107.9 . . ? Cl1' C18' H18C 107.9 . . ? Cl2' C18' H18D 107.9 . . ? Cl1' C18' H18D 107.9 . . ? H18C C18' H18D 107.2 . . ? C14 N1 N2 106.0(4) . . ? C14 N1 Ag1 124.7(3) . . ? N2 N1 Ag1 127.2(3) . . ? C13 N2 N1 106.7(4) . . ? C13 N2 Ag1 138.9(3) . 4_464 ? N1 N2 Ag1 113.8(3) . 4_464 ? C7 N3 N4 106.3(4) . . ? C7 N3 Ag1 142.6(3) . 2_674 ? N4 N3 Ag1 111.1(3) . 2_674 ? C8 N4 N3 105.9(4) . . ? C8 N4 Ag1 121.7(3) . 3_654 ? N3 N4 Ag1 132.1(3) . 3_654 ? C2 N5 N6 106.3(4) . . ? C2 N5 Ag2 124.8(3) . . ? N6 N5 Ag2 122.5(3) . . ? C3 N6 N5 106.7(4) . . ? C3 N6 Ag2 140.1(3) . 15_566 ? N5 N6 Ag2 111.8(3) . 15_566 ? C2 O1 C3 103.6(3) . . ? C8 O2 C7 103.1(4) . . ? C14 O3 C13 103.2(4) . . ? S4 O4 Ag2 120.0(3) . . ? Ag2 O7 H7A 109.6 . . ? Ag2 O7 H7B 133.2 . . ? H7A O7 H7B 103.9 . . ? C8 S1 C9 101.6(3) . . ? C2 S2 C1 100.7(3) . . ? C14 S3 C15 101.2(3) . . ? O5 S4 O4 115.8(3) . . ? O5 S4 O6 115.9(3) . . ? O4 S4 O6 113.1(3) . . ? O5 S4 C16 102.8(3) . . ? O4 S4 C16 104.1(3) . . ? O6 S4 C16 102.7(4) . . ? O8 S5 O10 114.7(3) . . ? O8 S5 O9 114.0(3) . . ? O10 S5 O9 116.2(3) . . ? O8 S5 C17 103.0(3) . . ? O10 S5 C17 102.9(3) . . ? O9 S5 C17 103.6(3) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N6 C3 C4 C12 -14.3(8) . . . . ? O1 C3 C4 C12 161.6(4) . . . . ? N6 C3 C4 C5 167.9(5) . . . . ? O1 C3 C4 C5 -16.1(7) . . . . ? C12 C4 C5 C6 0.4(7) . . . . ? C3 C4 C5 C6 178.2(4) . . . . ? C4 C5 C6 C10 -1.1(7) . . . . ? C4 C5 C6 C7 179.4(4) . . . . ? C5 C6 C7 N3 -168.1(5) . . . . ? C10 C6 C7 N3 12.4(8) . . . . ? C5 C6 C7 O2 10.3(7) . . . . ? C10 C6 C7 O2 -169.1(4) . . . . ? C5 C6 C10 C11 1.5(7) . . . . ? C7 C6 C10 C11 -179.1(5) . . . . ? C6 C10 C11 C12 -1.2(7) . . . . ? C6 C10 C11 C13 176.7(4) . . . . ? C10 C11 C12 C4 0.5(7) . . . . ? C13 C11 C12 C4 -177.4(4) . . . . ? C5 C4 C12 C11 -0.1(7) . . . . ? C3 C4 C12 C11 -177.9(4) . . . . ? C12 C11 C13 N2 155.6(5) . . . . ? C10 C11 C13 N2 -22.4(9) . . . . ? C12 C11 C13 O3 -19.0(6) . . . . ? C10 C11 C13 O3 163.1(4) . . . . ? O3 C14 N1 N2 -0.9(5) . . . . ? S3 C14 N1 N2 -179.8(3) . . . . ? O3 C14 N1 Ag1 -165.3(3) . . . . ? S3 C14 N1 Ag1 15.7(6) . . . . ? N2 Ag1 N1 C14 71.6(4) 3_655 . . . ? N4 Ag1 N1 C14 -52.0(4) 4_465 . . . ? N3 Ag1 N1 C14 -166.2(4) 2_675 . . . ? N2 Ag1 N1 N2 -89.6(4) 3_655 . . . ? N4 Ag1 N1 N2 146.9(4) 4_465 . . . ? N3 Ag1 N1 N2 32.6(4) 2_675 . . . ? O3 C13 N2 N1 2.1(5) . . . . ? C11 C13 N2 N1 -172.6(5) . . . . ? O3 C13 N2 Ag1 -167.7(3) . . . 4_464 ? C11 C13 N2 Ag1 17.6(9) . . . 4_464 ? C14 N1 N2 C13 -0.8(5) . . . . ? Ag1 N1 N2 C13 163.2(3) . . . . ? C14 N1 N2 Ag1 171.9(3) . . . 4_464 ? Ag1 N1 N2 Ag1 -24.2(4) . . . 4_464 ? O2 C7 N3 N4 0.7(6) . . . . ? C6 C7 N3 N4 179.2(5) . . . . ? O2 C7 N3 Ag1 -178.6(4) . . . 2_674 ? C6 C7 N3 Ag1 -0.1(10) . . . 2_674 ? O2 C8 N4 N3 1.4(6) . . . . ? S1 C8 N4 N3 -178.2(4) . . . . ? O2 C8 N4 Ag1 -172.9(3) . . . 3_654 ? S1 C8 N4 Ag1 7.5(7) . . . 3_654 ? C7 N3 N4 C8 -1.3(6) . . . . ? Ag1 N3 N4 C8 178.3(3) 2_674 . . . ? C7 N3 N4 Ag1 172.2(4) . . . 3_654 ? Ag1 N3 N4 Ag1 -8.3(5) 2_674 . . 3_654 ? O1 C2 N5 N6 0.4(5) . . . . ? S2 C2 N5 N6 -177.9(4) . . . . ? O1 C2 N5 Ag2 152.5(3) . . . . ? S2 C2 N5 Ag2 -25.8(6) . . . . ? N6 Ag2 N5 C2 -179.7(3) 12_767 . . . ? O7 Ag2 N5 C2 40.4(5) . . . . ? O4 Ag2 N5 C2 -51.9(4) . . . . ? N6 Ag2 N5 N6 -31.9(5) 12_767 . . . ? O7 Ag2 N5 N6 -171.7(3) . . . . ? O4 Ag2 N5 N6 95.9(3) . . . . ? O1 C3 N6 N5 -1.1(5) . . . . ? C4 C3 N6 N5 175.0(5) . . . . ? O1 C3 N6 Ag2 163.9(3) . . . 15_566 ? C4 C3 N6 Ag2 -20.0(9) . . . 15_566 ? C2 N5 N6 C3 0.4(5) . . . . ? Ag2 N5 N6 C3 -152.5(3) . . . . ? C2 N5 N6 Ag2 -169.3(3) . . . 15_566 ? Ag2 N5 N6 Ag2 37.8(4) . . . 15_566 ? N5 C2 O1 C3 -1.1(5) . . . . ? S2 C2 O1 C3 177.3(4) . . . . ? N6 C3 O1 C2 1.4(5) . . . . ? C4 C3 O1 C2 -175.3(4) . . . . ? N4 C8 O2 C7 -1.0(6) . . . . ? S1 C8 O2 C7 178.6(4) . . . . ? N3 C7 O2 C8 0.1(6) . . . . ? C6 C7 O2 C8 -178.6(4) . . . . ? N1 C14 O3 C13 2.0(5) . . . . ? S3 C14 O3 C13 -178.9(3) . . . . ? N2 C13 O3 C14 -2.5(5) . . . . ? C11 C13 O3 C14 173.2(4) . . . . ? N5 Ag2 O4 S4 -75.0(3) . . . . ? N6 Ag2 O4 S4 69.0(3) 12_767 . . . ? O7 Ag2 O4 S4 165.4(3) . . . . ? N4 C8 S1 C9 -170.6(5) . . . . ? O2 C8 S1 C9 9.8(5) . . . . ? N5 C2 S2 C1 -176.9(5) . . . . ? O1 C2 S2 C1 5.0(5) . . . . ? N1 C14 S3 C15 178.8(5) . . . . ? O3 C14 S3 C15 -0.1(5) . . . . ? Ag2 O4 S4 O5 -126.8(3) . . . . ? Ag2 O4 S4 O6 10.4(4) . . . . ? Ag2 O4 S4 C16 121.1(3) . . . . ? F3 C16 S4 O5 57.7(6) . . . . ? F2 C16 S4 O5 178.9(6) . . . . ? F1 C16 S4 O5 -60.0(6) . . . . ? F3 C16 S4 O4 178.9(5) . . . . ? F2 C16 S4 O4 -59.9(7) . . . . ? F1 C16 S4 O4 61.2(6) . . . . ? F3 C16 S4 O6 -63.0(6) . . . . ? F2 C16 S4 O6 58.2(7) . . . . ? F1 C16 S4 O6 179.3(5) . . . . ? F6 C17 S5 O8 -178.7(6) . . . . ? F4 C17 S5 O8 -56.6(6) . . . . ? F5 C17 S5 O8 62.3(5) . . . . ? F6 C17 S5 O10 -59.1(7) . . . . ? F4 C17 S5 O10 63.0(6) . . . . ? F5 C17 S5 O10 -178.1(5) . . . . ? F6 C17 S5 O9 62.3(7) . . . . ? F4 C17 S5 O9 -175.6(5) . . . . ? F5 C17 S5 O9 -56.7(5) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O7 H7A O6 0.84 2.02 2.785(6) 150.5 12_767 O7 H7B O9 0.92 1.85 2.762(6) 172.4 6_564 _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.03 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.870 _refine_diff_density_min -0.672 _refine_diff_density_rms 0.110