Supplementary Material (ESI) for Chemical Communications This journal is © The Royal Society of Chemistry 2001 data_s _database_code_CSD 168320 _journal_coden_Cambridge 182 _publ_requested_journal 'Chemical Communications' loop_ _publ_author_name 'Garrison, J. C.' 'Kofron, W. G.' 'Simons, R. S.' 'Tessier, C. A.' 'Youngs, Wiley' _publ_contact_author_name 'Prof Wiley Youngs' _publ_contact_author_address ; Department of Chemistry University of Akron Akron OH 44325-3601 USA ; _publ_contact_author_email 'youngs@uakron.edu' _publ_section_title ; Synthesis and structural characterization of a silver complex of a mixed donor- N-heterocyclic carbene linked cyclophane ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C22 H26 Ag2 F16 N6 O P2 S' _chemical_formula_weight 502.11 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'F' 'F' 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 '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' 'N' 'N' 0.0061 0.0033 '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' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.389(2) _cell_length_b 11.272(2) _cell_length_c 14.104(3) _cell_angle_alpha 110.21(3) _cell_angle_beta 96.34(3) _cell_angle_gamma 102.46(3) _cell_volume 1482.3(5) _cell_formula_units_Z 2 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.19 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.125 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 492 _exptl_absorpt_coefficient_mu 0.817 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min 0.8602 _exptl_absorpt_correction_T_max 0.9680 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 200(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 10137 _diffrn_reflns_av_R_equivalents 0.0214 _diffrn_reflns_av_sigmaI/netI 0.0364 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 2.05 _diffrn_reflns_theta_max 24.97 _reflns_number_total 5212 _reflns_number_gt 4085 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0845P)^2^+3.8803P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5212 _refine_ls_number_parameters 454 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0617 _refine_ls_R_factor_gt 0.0444 _refine_ls_wR_factor_ref 0.1343 _refine_ls_wR_factor_gt 0.1229 _refine_ls_goodness_of_fit_ref 0.994 _refine_ls_restrained_S_all 0.994 _refine_ls_shift/su_max 0.010 _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 0.46719(5) -0.48300(4) 0.40109(3) 0.03616(16) Uani 1 1 d . . . Ag2 Ag 0.38442(4) -0.72489(4) 0.41655(3) 0.03138(15) Uani 1 1 d . . . S S 0.2407(5) -1.0091(4) 0.1999(3) 0.1449(15) Uani 1 1 d . . . P1 P 0.0000 0.5000 1.0000 0.0677(8) Uani 1 2 d S . . P2 P 0.0000 0.0000 0.5000 0.0428(6) Uani 1 2 d S . . P3 P -0.28205(19) -0.98115(18) 0.14196(13) 0.0499(5) Uani 1 1 d . . . F1 F 0.1294(6) 0.5639(6) 1.0896(5) 0.1053(18) Uani 1 1 d . . . F2 F 0.0765(6) 0.5674(7) 0.9330(5) 0.106(2) Uani 1 1 d . . . F3 F 0.0581(6) 0.3780(6) 0.9567(5) 0.1054(19) Uani 1 1 d . . . F4 F 0.0758(6) -0.0090(7) 0.5978(5) 0.116(2) Uani 1 1 d . . . F5 F 0.0155(5) 0.1483(5) 0.5667(6) 0.119(3) Uani 1 1 d . . . F6 F 0.1424(5) 0.0372(6) 0.4717(4) 0.1000(19) Uani 1 1 d . . . F10 F -0.3957(8) -1.0419(11) 0.0465(5) 0.193(5) Uani 1 1 d . A . F12 F -0.1660(8) -0.9118(8) 0.2355(6) 0.148(3) Uani 1 1 d . A . F7 F -0.176(2) -0.993(2) 0.082(2) 0.154(11) Uani 0.50 1 d P A 1 F8 F -0.325(3) -1.1199(14) 0.122(2) 0.176(9) Uani 0.50 1 d P A 1 F9 F -0.2534(16) -0.8265(12) 0.1565(14) 0.117(5) Uani 0.50 1 d P A 1 F11 F -0.3976(15) -0.956(2) 0.2058(11) 0.126(8) Uani 0.50 1 d P A 1 F13 F -0.356(2) -0.883(2) 0.1775(12) 0.134(7) Uani 0.50 1 d P A 2 F14 F -0.209(2) -1.1051(18) 0.1118(11) 0.116(6) Uani 0.50 1 d P A 2 F15 F -0.204(2) -0.940(2) 0.0662(16) 0.127(9) Uani 0.50 1 d P A 2 F16 F -0.3306(16) -1.0416(15) 0.2226(10) 0.101(4) Uani 0.50 1 d P A 2 O O 0.3357(6) -0.9483(4) 0.2973(4) 0.0633(14) Uani 1 1 d . . . N1 N 0.5472(5) -0.4884(4) 0.2498(4) 0.0331(10) Uani 1 1 d . . . N2 N 0.5486(4) -0.2169(4) 0.3833(3) 0.0284(10) Uani 1 1 d . . . N3 N 0.3973(5) -0.1931(4) 0.4740(3) 0.0336(11) Uani 1 1 d . . . N4 N 0.1741(5) -0.4299(5) 0.4430(4) 0.0340(11) Uani 1 1 d . . . N5 N 0.1467(5) -0.6923(4) 0.2801(4) 0.0357(11) Uani 1 1 d . . . N6 N 0.3096(5) -0.7144(4) 0.2011(3) 0.0300(10) Uani 1 1 d . . . C1 C 0.6465(7) -0.4977(7) 0.0733(5) 0.0552(18) Uani 1 1 d . . . H1A H 0.6804 -0.5009 0.0128 0.066 Uiso 1 1 calc R . . C2 C 0.6752(7) -0.3793(7) 0.1580(5) 0.0518(17) Uani 1 1 d . . . H2A H 0.7290 -0.3008 0.1560 0.062 Uiso 1 1 calc R . . C3 C 0.6246(6) -0.3777(6) 0.2445(4) 0.0342(13) Uani 1 1 d . . . C4 C 0.6629(6) -0.2541(6) 0.3391(5) 0.0373(13) Uani 1 1 d . . . H4A H 0.7249 -0.2648 0.3923 0.045 Uiso 1 1 calc R . . H4B H 0.7127 -0.1814 0.3219 0.045 Uiso 1 1 calc R . . C5 C 0.4773(6) -0.1425(6) 0.3517(5) 0.0393(14) Uani 1 1 d . . . H5A H 0.4920 -0.1084 0.2997 0.047 Uiso 1 1 calc R . . C6 C 0.3826(7) -0.1281(6) 0.4096(4) 0.0390(14) Uani 1 1 d . . . H6A H 0.3175 -0.0812 0.4062 0.047 Uiso 1 1 calc R . . C7 C 0.5014(6) -0.2485(5) 0.4595(4) 0.0323(12) Uani 1 1 d . . . C8 C 0.3117(7) -0.1997(6) 0.5497(5) 0.0421(15) Uani 1 1 d . . . H8A H 0.2403 -0.1561 0.5421 0.051 Uiso 1 1 calc R . . H8B H 0.3668 -0.1520 0.6203 0.051 Uiso 1 1 calc R . . C9 C 0.2486(6) -0.3382(6) 0.5353(5) 0.0366(13) Uani 1 1 d . . . C10 C 0.2528(6) -0.3981(6) 0.6051(5) 0.0397(14) Uani 1 1 d . . . H10A H 0.2960 -0.3575 0.6758 0.048 Uiso 1 1 calc R . . C11 C 0.1807(6) -0.5320(6) 0.5516(5) 0.0396(14) Uani 1 1 d . . . H11A H 0.1670 -0.5977 0.5800 0.048 Uiso 1 1 calc R . . C12 C 0.1345(6) -0.5496(6) 0.4521(5) 0.0382(14) Uani 1 1 d . . . C13 C 0.1328(7) -0.4037(6) 0.3496(5) 0.0436(15) Uani 1 1 d . . . H13A H 0.0789 -0.4858 0.2943 0.065 Uiso 1 1 calc R . . H13B H 0.2131 -0.3677 0.3273 0.065 Uiso 1 1 calc R . . H13C H 0.0792 -0.3403 0.3657 0.065 Uiso 1 1 calc R . . C14 C 0.0655(6) -0.6710(6) 0.3608(5) 0.0425(15) Uani 1 1 d . . . H14A H 0.0496 -0.7473 0.3818 0.051 Uiso 1 1 calc R . . H14B H -0.0230 -0.6641 0.3327 0.051 Uiso 1 1 calc R . . C15 C 0.0958(7) -0.7241(6) 0.1784(5) 0.0476(16) Uani 1 1 d . . . H15A H 0.0056 -0.7341 0.1486 0.057 Uiso 1 1 calc R . . C16 C 0.1990(7) -0.7388(6) 0.1278(5) 0.0458(16) Uani 1 1 d . . . H16A H 0.1950 -0.7614 0.0559 0.055 Uiso 1 1 calc R . . C17 C 0.2788(6) -0.6854(5) 0.2959(4) 0.0314(12) Uani 1 1 d . . . C18 C 0.4396(6) -0.7241(5) 0.1761(4) 0.0373(14) Uani 1 1 d . . . H18A H 0.4258 -0.7991 0.1099 0.045 Uiso 1 1 calc R . . H18B H 0.4915 -0.7424 0.2302 0.045 Uiso 1 1 calc R . . C19 C 0.5202(6) -0.6022(6) 0.1675(4) 0.0348(13) Uani 1 1 d . . . C20 C 0.5684(7) -0.6095(7) 0.0784(5) 0.0514(17) Uani 1 1 d . . . H20A H 0.5477 -0.6911 0.0215 0.062 Uiso 1 1 calc R . . C21 C 0.0974(12) -1.0764(15) 0.2061(13) 0.148(6) Uani 1 1 d . . . H21A H 0.0607 -1.0113 0.2529 0.222 Uiso 1 1 calc R . . H21B H 0.1009 -1.1461 0.2320 0.222 Uiso 1 1 calc R . . H21C H 0.0395 -1.1145 0.1372 0.222 Uiso 1 1 calc R . . C22 C 0.2922(13) -1.1233(14) 0.1199(7) 0.117(4) Uani 1 1 d . . . H22A H 0.3828 -1.0855 0.1122 0.175 Uiso 1 1 calc R . . H22B H 0.2306 -1.1607 0.0526 0.175 Uiso 1 1 calc R . . H22C H 0.2943 -1.1926 0.1465 0.175 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 0.0508(3) 0.0250(2) 0.0280(3) 0.00704(19) 0.0067(2) 0.0069(2) Ag2 0.0375(3) 0.0256(2) 0.0277(2) 0.00797(18) 0.00156(18) 0.00813(18) S 0.190(4) 0.091(2) 0.118(3) 0.014(2) -0.007(3) 0.028(3) P1 0.0649(19) 0.077(2) 0.080(2) 0.0418(18) 0.0236(16) 0.0321(16) P2 0.0362(12) 0.0344(12) 0.0498(14) 0.0073(10) -0.0005(10) 0.0128(10) P3 0.0547(11) 0.0455(10) 0.0336(9) 0.0032(8) 0.0058(8) 0.0033(8) F1 0.087(4) 0.117(5) 0.104(4) 0.041(4) 0.001(3) 0.023(4) F2 0.095(4) 0.132(5) 0.145(5) 0.098(5) 0.052(4) 0.047(4) F3 0.097(4) 0.084(4) 0.146(5) 0.041(4) 0.039(4) 0.045(3) F4 0.091(4) 0.151(6) 0.094(4) 0.060(4) -0.022(3) 0.006(4) F5 0.066(3) 0.052(3) 0.178(6) -0.026(3) 0.003(4) 0.018(3) F6 0.053(3) 0.102(4) 0.088(4) -0.017(3) 0.023(3) -0.008(3) F10 0.111(6) 0.285(13) 0.070(4) -0.032(6) -0.026(4) 0.017(7) F12 0.122(6) 0.161(7) 0.109(5) 0.031(5) -0.051(4) 0.006(5) F7 0.104(12) 0.15(2) 0.17(2) -0.011(15) 0.086(16) 0.040(13) F8 0.188(19) 0.044(7) 0.28(3) 0.068(12) 0.01(2) 0.020(10) F9 0.111(11) 0.050(6) 0.167(14) 0.020(8) 0.038(10) 0.006(7) F11 0.088(9) 0.161(18) 0.067(8) -0.002(10) 0.033(7) -0.025(11) F13 0.17(2) 0.123(15) 0.111(12) 0.006(11) 0.014(12) 0.129(16) F14 0.202(17) 0.098(11) 0.099(9) 0.046(8) 0.083(11) 0.105(12) F15 0.139(18) 0.15(2) 0.106(12) 0.099(15) 0.020(10) -0.012(13) F16 0.158(13) 0.105(10) 0.092(9) 0.066(9) 0.076(9) 0.065(10) O 0.096(4) 0.037(3) 0.040(3) 0.004(2) -0.012(3) 0.015(3) N1 0.034(3) 0.033(3) 0.033(3) 0.015(2) 0.005(2) 0.009(2) N2 0.032(2) 0.022(2) 0.024(2) 0.0025(19) 0.0003(19) 0.0057(19) N3 0.040(3) 0.023(2) 0.033(2) 0.006(2) 0.003(2) 0.010(2) N4 0.034(3) 0.033(3) 0.038(3) 0.014(2) 0.008(2) 0.014(2) N5 0.032(3) 0.030(3) 0.039(3) 0.009(2) 0.001(2) 0.006(2) N6 0.033(3) 0.028(2) 0.026(2) 0.0093(19) 0.001(2) 0.005(2) C1 0.062(5) 0.063(5) 0.046(4) 0.021(4) 0.026(3) 0.020(4) C2 0.053(4) 0.054(4) 0.056(4) 0.026(4) 0.024(3) 0.016(3) C3 0.029(3) 0.038(3) 0.037(3) 0.014(3) 0.006(2) 0.012(3) C4 0.035(3) 0.036(3) 0.043(3) 0.019(3) 0.008(3) 0.005(3) C5 0.047(4) 0.030(3) 0.041(3) 0.015(3) 0.001(3) 0.012(3) C6 0.047(4) 0.030(3) 0.040(3) 0.012(3) 0.002(3) 0.017(3) C7 0.042(3) 0.023(3) 0.029(3) 0.008(2) 0.004(2) 0.007(2) C8 0.054(4) 0.036(3) 0.037(3) 0.007(3) 0.016(3) 0.022(3) C9 0.038(3) 0.038(3) 0.038(3) 0.011(3) 0.016(3) 0.019(3) C10 0.036(3) 0.052(4) 0.041(3) 0.020(3) 0.016(3) 0.021(3) C11 0.037(3) 0.045(4) 0.049(4) 0.022(3) 0.018(3) 0.022(3) C12 0.038(3) 0.033(3) 0.049(4) 0.015(3) 0.017(3) 0.015(3) C13 0.047(4) 0.038(3) 0.044(4) 0.014(3) 0.006(3) 0.013(3) C14 0.035(3) 0.039(3) 0.053(4) 0.016(3) 0.013(3) 0.010(3) C15 0.040(4) 0.047(4) 0.042(4) 0.011(3) -0.011(3) 0.003(3) C16 0.052(4) 0.042(4) 0.029(3) 0.008(3) -0.005(3) -0.001(3) C17 0.032(3) 0.026(3) 0.032(3) 0.007(2) 0.004(2) 0.009(2) C18 0.055(4) 0.030(3) 0.026(3) 0.004(2) 0.013(3) 0.019(3) C19 0.039(3) 0.038(3) 0.027(3) 0.009(3) 0.008(2) 0.016(3) C20 0.066(5) 0.049(4) 0.039(4) 0.012(3) 0.017(3) 0.018(4) C21 0.070(8) 0.165(14) 0.199(16) 0.055(12) 0.032(9) 0.033(8) C22 0.122(9) 0.173(12) 0.052(5) 0.019(7) 0.020(6) 0.070(9) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 N1 2.360(5) . ? Ag1 C7 2.412(5) . ? Ag1 C17 2.516(6) . ? Ag1 Ag2 2.7680(9) . ? Ag1 Ag2 2.8077(16) 2_646 ? Ag1 Ag1 2.9712(10) 2_646 ? Ag2 C7 2.148(5) 2_646 ? Ag2 C17 2.149(6) . ? Ag2 O 2.401(5) . ? Ag2 Ag1 2.8077(16) 2_646 ? S O 1.444(6) . ? S C21 1.545(13) . ? S C22 1.626(11) . ? P1 F3 1.577(5) . ? P1 F3 1.577(5) 2_567 ? P1 F1 1.582(6) 2_567 ? P1 F1 1.582(6) . ? P1 F2 1.582(5) 2_567 ? P1 F2 1.582(5) . ? P2 F4 1.558(5) 2_556 ? P2 F4 1.558(5) . ? P2 F5 1.572(5) 2_556 ? P2 F5 1.572(5) . ? P2 F6 1.581(5) . ? P2 F6 1.581(5) 2_556 ? P3 F8 1.446(12) . ? P3 F13 1.464(11) . ? P3 F7 1.466(16) . ? P3 F12 1.528(6) . ? P3 F10 1.529(7) . ? P3 F15 1.546(16) . ? P3 F16 1.589(10) . ? P3 F11 1.594(14) . ? P3 F9 1.639(12) . ? P3 F14 1.683(12) . ? N1 C19 1.348(7) . ? N1 C3 1.362(7) . ? N2 C7 1.352(7) . ? N2 C5 1.381(7) . ? N2 C4 1.474(7) . ? N3 C7 1.362(7) . ? N3 C6 1.366(7) . ? N3 C8 1.474(8) . ? N4 C9 1.366(8) . ? N4 C12 1.378(7) . ? N4 C13 1.484(8) . ? N5 C17 1.347(7) . ? N5 C15 1.364(8) . ? N5 C14 1.475(8) . ? N6 C17 1.356(7) . ? N6 C16 1.368(8) . ? N6 C18 1.450(7) . ? C1 C20 1.374(10) . ? C1 C2 1.395(10) . ? C2 C3 1.377(9) . ? C3 C4 1.496(8) . ? C5 C6 1.348(9) . ? C7 Ag2 2.148(5) 2_646 ? C8 C9 1.489(9) . ? C9 C10 1.375(9) . ? C10 C11 1.417(9) . ? C11 C12 1.362(9) . ? C12 C14 1.483(9) . ? C15 C16 1.360(10) . ? C18 C19 1.498(8) . ? C19 C20 1.386(9) . ? 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 N1 Ag1 C7 91.19(17) . . ? N1 Ag1 C17 89.78(17) . . ? C7 Ag1 C17 136.70(19) . . ? N1 Ag1 Ag2 115.03(12) . . ? C7 Ag1 Ag2 153.74(13) . . ? C17 Ag1 Ag2 47.71(13) . . ? N1 Ag1 Ag2 115.39(12) . 2_646 ? C7 Ag1 Ag2 47.86(13) . 2_646 ? C17 Ag1 Ag2 154.83(13) . 2_646 ? Ag2 Ag1 Ag2 115.60(3) . 2_646 ? N1 Ag1 Ag1 143.06(11) . 2_646 ? C7 Ag1 Ag1 101.62(13) . 2_646 ? C17 Ag1 Ag1 103.20(13) . 2_646 ? Ag2 Ag1 Ag1 58.45(4) . 2_646 ? Ag2 Ag1 Ag1 57.15(3) 2_646 2_646 ? C7 Ag2 C17 176.2(2) 2_646 . ? C7 Ag2 O 95.68(18) 2_646 . ? C17 Ag2 O 87.46(18) . . ? C7 Ag2 Ag1 116.24(15) 2_646 . ? C17 Ag2 Ag1 59.99(15) . . ? O Ag2 Ag1 134.14(12) . . ? C7 Ag2 Ag1 56.37(14) 2_646 2_646 ? C17 Ag2 Ag1 120.19(14) . 2_646 ? O Ag2 Ag1 150.82(12) . 2_646 ? Ag1 Ag2 Ag1 64.40(3) . 2_646 ? O S C21 114.7(7) . . ? O S C22 109.6(6) . . ? C21 S C22 106.0(8) . . ? F3 P1 F3 180.000(4) . 2_567 ? F3 P1 F1 92.6(3) . 2_567 ? F3 P1 F1 87.4(3) 2_567 2_567 ? F3 P1 F1 87.4(3) . . ? F3 P1 F1 92.6(3) 2_567 . ? F1 P1 F1 180.000(2) 2_567 . ? F3 P1 F2 89.5(3) . 2_567 ? F3 P1 F2 90.5(3) 2_567 2_567 ? F1 P1 F2 89.8(3) 2_567 2_567 ? F1 P1 F2 90.2(3) . 2_567 ? F3 P1 F2 90.5(3) . . ? F3 P1 F2 89.5(3) 2_567 . ? F1 P1 F2 90.2(3) 2_567 . ? F1 P1 F2 89.8(3) . . ? F2 P1 F2 180.000(3) 2_567 . ? F4 P2 F4 180.0(3) 2_556 . ? F4 P2 F5 87.6(4) 2_556 2_556 ? F4 P2 F5 92.4(4) . 2_556 ? F4 P2 F5 92.4(4) 2_556 . ? F4 P2 F5 87.6(4) . . ? F5 P2 F5 180.0(6) 2_556 . ? F4 P2 F6 93.0(3) 2_556 . ? F4 P2 F6 87.0(3) . . ? F5 P2 F6 89.1(3) 2_556 . ? F5 P2 F6 90.9(3) . . ? F4 P2 F6 87.0(3) 2_556 2_556 ? F4 P2 F6 93.0(3) . 2_556 ? F5 P2 F6 90.9(3) 2_556 2_556 ? F5 P2 F6 89.1(3) . 2_556 ? F6 P2 F6 180.000(1) . 2_556 ? F8 P3 F13 128.2(15) . . ? F8 P3 F7 94.4(14) . . ? F13 P3 F7 134.2(15) . . ? F8 P3 F12 109.9(10) . . ? F13 P3 F12 93.9(8) . . ? F7 P3 F12 84.8(11) . . ? F8 P3 F10 74.0(10) . . ? F13 P3 F10 84.2(8) . . ? F7 P3 F10 94.0(12) . . ? F12 P3 F10 176.0(6) . . ? F8 P3 F15 117.5(15) . . ? F13 P3 F15 104.4(13) . . ? F7 P3 F15 31.0(11) . . ? F12 P3 F15 95.5(10) . . ? F10 P3 F15 81.6(10) . . ? F8 P3 F16 54.8(12) . . ? F13 P3 F16 89.6(10) . . ? F7 P3 F16 133.8(13) . . ? F12 P3 F16 77.0(7) . . ? F10 P3 F16 106.5(7) . . ? F15 P3 F16 164.6(10) . . ? F8 P3 F11 90.3(14) . . ? F13 P3 F11 40.8(10) . . ? F7 P3 F11 174.9(14) . . ? F12 P3 F11 95.4(7) . . ? F10 P3 F11 85.5(7) . . ? F15 P3 F11 144.1(12) . . ? F16 P3 F11 50.9(8) . . ? F8 P3 F9 172.6(11) . . ? F13 P3 F9 46.6(10) . . ? F7 P3 F9 89.1(11) . . ? F12 P3 F9 76.9(7) . . ? F10 P3 F9 99.3(8) . . ? F15 P3 F9 63.5(11) . . ? F16 P3 F9 126.1(8) . . ? F11 P3 F9 86.0(9) . . ? F8 P3 F14 44.8(9) . . ? F13 P3 F14 171.5(12) . . ? F7 P3 F14 54.3(11) . . ? F12 P3 F14 85.6(8) . . ? F10 P3 F14 96.8(8) . . ? F15 P3 F14 84.2(9) . . ? F16 P3 F14 82.0(7) . . ? F11 P3 F14 130.7(11) . . ? F9 P3 F14 140.9(10) . . ? S O Ag2 126.7(3) . . ? C19 N1 C3 118.4(5) . . ? C19 N1 Ag1 120.6(4) . . ? C3 N1 Ag1 120.9(4) . . ? C7 N2 C5 111.5(5) . . ? C7 N2 C4 125.3(5) . . ? C5 N2 C4 123.1(5) . . ? C7 N3 C6 111.0(5) . . ? C7 N3 C8 125.3(5) . . ? C6 N3 C8 123.7(5) . . ? C9 N4 C12 109.2(5) . . ? C9 N4 C13 125.7(5) . . ? C12 N4 C13 124.9(5) . . ? C17 N5 C15 111.1(5) . . ? C17 N5 C14 125.1(5) . . ? C15 N5 C14 123.8(5) . . ? C17 N6 C16 111.0(5) . . ? C17 N6 C18 126.3(5) . . ? C16 N6 C18 122.6(5) . . ? C20 C1 C2 119.1(6) . . ? C3 C2 C1 119.1(6) . . ? N1 C3 C2 121.9(6) . . ? N1 C3 C4 118.0(5) . . ? C2 C3 C4 119.9(6) . . ? N2 C4 C3 114.6(5) . . ? C6 C5 N2 106.0(5) . . ? C5 C6 N3 107.5(5) . . ? N2 C7 N3 104.0(4) . . ? N2 C7 Ag2 126.9(4) . 2_646 ? N3 C7 Ag2 121.2(4) . 2_646 ? N2 C7 Ag1 104.2(3) . . ? N3 C7 Ag1 121.8(4) . . ? Ag2 C7 Ag1 75.78(17) 2_646 . ? N3 C8 C9 111.4(5) . . ? N4 C9 C10 108.1(5) . . ? N4 C9 C8 122.5(5) . . ? C10 C9 C8 129.5(6) . . ? C9 C10 C11 107.1(6) . . ? C12 C11 C10 107.8(6) . . ? C11 C12 N4 107.8(5) . . ? C11 C12 C14 130.8(6) . . ? N4 C12 C14 121.2(5) . . ? N5 C14 C12 111.1(5) . . ? C16 C15 N5 106.9(6) . . ? C15 C16 N6 106.3(5) . . ? N5 C17 N6 104.7(5) . . ? N5 C17 Ag2 125.2(4) . . ? N6 C17 Ag2 122.9(4) . . ? N5 C17 Ag1 126.1(4) . . ? N6 C17 Ag1 101.2(3) . . ? Ag2 C17 Ag1 72.31(16) . . ? N6 C18 C19 113.2(5) . . ? N1 C19 C20 122.1(6) . . ? N1 C19 C18 117.8(5) . . ? C20 C19 C18 120.1(5) . . ? C1 C20 C19 119.4(6) . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 24.97 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.082 _refine_diff_density_min -1.451 _refine_diff_density_rms 0.126