# Supplementary Material (ESI) for New Journal of Chemistry # This journal is © The Royal Society of Chemistry and # The Centre National de la Recherche Scientifique, 2005 data_global _journal_name_full 'New J.Chem.(Nouv.J.Chim.)' _journal_coden_Cambridge 0440 _publ_contact_author_name 'Dra. Laura Valencia Matarranz' _publ_contact_author_address ; Departamento de Quimica Inorganica Facultade de Quimica Universidade de Santiago de Compostela 15782 Santiago de Compostela, A Coruna Galicia, Spain ; _publ_contact_author_email qilaura@usc.es _publ_section_title ; Synthesis and helical polymeric structure of a luminescent pendant-arm macrocyclic silver(I) complex with Ag-Ag interactions ; loop_ _publ_author_name L.Valencia 'Rufina Bastida' 'Alejandro Macias' 'Paulo Perez-Lourido' V.Manuel data_[Ag3L(NO3)].(NO3)2.8H2O _database_code_depnum_ccdc_archive 'CCDC 241779' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety '[Ag3L(NO3)].(NO3)2.8H2O' _chemical_formula_sum 'C42 H62 Ag3 N13 O17' _chemical_formula_weight 1344.66 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' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P21/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 14.991(3) _cell_length_b 17.852(4) _cell_length_c 19.543(4) _cell_angle_alpha 90.00 _cell_angle_beta 100.154(3) _cell_angle_gamma 90.00 _cell_volume 5148.3(17) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 987 _cell_measurement_theta_min 2.41 _cell_measurement_theta_max 28.14 _exptl_crystal_description prism _exptl_crystal_colour colourless _exptl_crystal_size_max 0.69 _exptl_crystal_size_mid 0.39 _exptl_crystal_size_min 0.19 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.735 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2728 _exptl_absorpt_coefficient_mu 1.213 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.4883 _exptl_absorpt_correction_T_max 0.8023 _exptl_absorpt_process_details Sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'SMART-CCD_1000 BRUKER' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 47797 _diffrn_reflns_av_R_equivalents 0.0338 _diffrn_reflns_av_sigmaI/netI 0.0312 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 1.56 _diffrn_reflns_theta_max 28.34 _reflns_number_total 12638 _reflns_number_gt 8937 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'BRUKER Smart' _computing_cell_refinement 'BRUKER Smart' _computing_data_reduction 'BRUKER Shelxtl' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP-3 for Windows (Farrugia, 1997)' _computing_publication_material 'WinGX publication routines (Farrugia, 1999)' _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^)+(0.0387P)^2^+8.8617P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00006(2) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 12638 _refine_ls_number_parameters 677 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0583 _refine_ls_R_factor_gt 0.0314 _refine_ls_wR_factor_ref 0.0935 _refine_ls_wR_factor_gt 0.0766 _refine_ls_goodness_of_fit_ref 1.069 _refine_ls_restrained_S_all 1.069 _refine_ls_shift/su_max 0.003 _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 C1 C 0.0954(2) 0.28922(18) -0.12272(15) 0.0158(6) Uani 1 1 d . . . C2 C 0.0186(2) 0.32526(19) -0.15700(16) 0.0197(6) Uani 1 1 d . . . H2 H -0.0359 0.2993 -0.1681 0.024 Uiso 1 1 calc R . . C3 C 0.0231(2) 0.39972(19) -0.17462(16) 0.0211(7) Uani 1 1 d . . . H3 H -0.0276 0.4244 -0.1985 0.025 Uiso 1 1 calc R . . C4 C 0.1045(2) 0.43702(18) -0.15605(16) 0.0208(7) Uani 1 1 d . . . H4 H 0.1097 0.4870 -0.1683 0.025 Uiso 1 1 calc R . . C5 C 0.1786(2) 0.39921(17) -0.11895(16) 0.0175(6) Uani 1 1 d . . . C6 C 0.2635(2) 0.44157(18) -0.08935(17) 0.0201(6) Uani 1 1 d . . . H6A H 0.2648 0.4878 -0.1153 0.024 Uiso 1 1 calc R . . H6B H 0.2611 0.4548 -0.0416 0.024 Uiso 1 1 calc R . . C7 C 0.4205(2) 0.43046(18) -0.03688(16) 0.0195(6) Uani 1 1 d . . . H7A H 0.4152 0.4846 -0.0361 0.023 Uiso 1 1 calc R . . H7B H 0.4787 0.4185 -0.0493 0.023 Uiso 1 1 calc R . . C8 C 0.4184(2) 0.40041(17) 0.03543(16) 0.0189(6) Uani 1 1 d . . . H8A H 0.4696 0.4210 0.0672 0.023 Uiso 1 1 calc R . . H8B H 0.3636 0.4181 0.0502 0.023 Uiso 1 1 calc R . . C9 C 0.4147(2) 0.29830(18) 0.11352(15) 0.0178(6) Uani 1 1 d . . . H9A H 0.3597 0.3203 0.1243 0.021 Uiso 1 1 calc R . . H9B H 0.4655 0.3208 0.1443 0.021 Uiso 1 1 calc R . . C10 C 0.4139(2) 0.21588(18) 0.12819(15) 0.0173(6) Uani 1 1 d . . . C11 C 0.4912(2) 0.17861(19) 0.16003(16) 0.0201(6) Uani 1 1 d . . . H11 H 0.5460 0.2041 0.1709 0.024 Uiso 1 1 calc R . . C12 C 0.4864(2) 0.10329(19) 0.17551(16) 0.0218(7) Uani 1 1 d . . . H12 H 0.5376 0.0777 0.1974 0.026 Uiso 1 1 calc R . . C13 C 0.4041(2) 0.06657(19) 0.15786(16) 0.0208(7) Uani 1 1 d . . . H13 H 0.3989 0.0162 0.1687 0.025 Uiso 1 1 calc R . . C14 C 0.3298(2) 0.10586(18) 0.12391(16) 0.0174(6) Uani 1 1 d . . . C15 C 0.2423(2) 0.06490(17) 0.09717(17) 0.0194(6) Uani 1 1 d . . . H15A H 0.2421 0.0501 0.0494 0.023 Uiso 1 1 calc R . . H15B H 0.2406 0.0196 0.1243 0.023 Uiso 1 1 calc R . . C16 C 0.0839(2) 0.08056(18) 0.04800(16) 0.0188(6) Uani 1 1 d . . . H16A H 0.0274 0.0955 0.0618 0.023 Uiso 1 1 calc R . . H16B H 0.0858 0.0263 0.0478 0.023 Uiso 1 1 calc R . . C17 C 0.0845(2) 0.10881(17) -0.02533(16) 0.0184(6) Uani 1 1 d . . . H17A H 0.1370 0.0880 -0.0414 0.022 Uiso 1 1 calc R . . H17B H 0.0310 0.0899 -0.0556 0.022 Uiso 1 1 calc R . . C18 C 0.0940(2) 0.20721(17) -0.10599(15) 0.0173(6) Uani 1 1 d . . . H18A H 0.0432 0.1841 -0.1362 0.021 Uiso 1 1 calc R . . H18B H 0.1490 0.1844 -0.1159 0.021 Uiso 1 1 calc R . . C19 C 0.3725(2) 0.40423(18) -0.16098(16) 0.0182(6) Uani 1 1 d . . . H19A H 0.4001 0.4524 -0.1668 0.022 Uiso 1 1 calc R . . H19B H 0.3182 0.3999 -0.1960 0.022 Uiso 1 1 calc R . . C20 C 0.4377(2) 0.34244(18) -0.17095(15) 0.0187(6) Uani 1 1 d . . . C21 C 0.5309(2) 0.3529(2) -0.15347(17) 0.0245(7) Uani 1 1 d . . . H21 H 0.5541 0.4000 -0.1399 0.029 Uiso 1 1 calc R . . C22 C 0.5889(2) 0.2934(2) -0.15624(18) 0.0296(8) Uani 1 1 d . . . H22 H 0.6512 0.2995 -0.1432 0.036 Uiso 1 1 calc R . . C23 C 0.5528(2) 0.2246(2) -0.17881(18) 0.0287(8) Uani 1 1 d . . . H23 H 0.5902 0.1834 -0.1806 0.034 Uiso 1 1 calc R . . C24 C 0.4598(2) 0.2184(2) -0.19870(17) 0.0239(7) Uani 1 1 d . . . H24 H 0.4356 0.1725 -0.2154 0.029 Uiso 1 1 calc R . . C25 C 0.5046(2) 0.28564(18) 0.02289(16) 0.0193(6) Uani 1 1 d . . . H25A H 0.5516 0.2857 0.0640 0.023 Uiso 1 1 calc R . . H25B H 0.5249 0.3176 -0.0115 0.023 Uiso 1 1 calc R . . C26 C 0.4938(2) 0.20684(19) -0.00545(16) 0.0194(6) Uani 1 1 d . . . C27 C 0.5691(2) 0.1611(2) -0.00053(18) 0.0267(7) Uani 1 1 d . . . H27 H 0.6252 0.1775 0.0228 0.032 Uiso 1 1 calc R . . C28 C 0.5601(3) 0.0908(2) -0.0306(2) 0.0347(9) Uani 1 1 d . . . H28 H 0.6103 0.0598 -0.0287 0.042 Uiso 1 1 calc R . . C29 C 0.4756(3) 0.0673(2) -0.06339(19) 0.0322(8) Uani 1 1 d . . . H29 H 0.4676 0.0202 -0.0838 0.039 Uiso 1 1 calc R . . C30 C 0.4033(2) 0.11530(19) -0.06526(17) 0.0242(7) Uani 1 1 d . . . H30 H 0.3461 0.0991 -0.0864 0.029 Uiso 1 1 calc R . . C31 C 0.1375(2) 0.10746(18) 0.17090(16) 0.0186(6) Uani 1 1 d . . . H31A H 0.1930 0.1087 0.2050 0.022 Uiso 1 1 calc R . . H31B H 0.1058 0.0613 0.1774 0.022 Uiso 1 1 calc R . . C32 C 0.0791(2) 0.17324(18) 0.18227(15) 0.0175(6) Uani 1 1 d . . . C33 C -0.0150(2) 0.1700(2) 0.16516(17) 0.0239(7) Uani 1 1 d . . . H33 H -0.0433 0.1252 0.1497 0.029 Uiso 1 1 calc R . . C34 C -0.0663(2) 0.2333(2) 0.17107(17) 0.0287(8) Uani 1 1 d . . . H34 H -0.1290 0.2320 0.1582 0.034 Uiso 1 1 calc R . . C35 C -0.0229(2) 0.2983(2) 0.19637(17) 0.0256(7) Uani 1 1 d . . . H35 H -0.0558 0.3417 0.2007 0.031 Uiso 1 1 calc R . . C36 C 0.0704(2) 0.29775(19) 0.21509(16) 0.0211(7) Uani 1 1 d . . . H36 H 0.0995 0.3414 0.2328 0.025 Uiso 1 1 calc R . . C37 C 0.0061(2) 0.22776(17) -0.01450(16) 0.0174(6) Uani 1 1 d . . . H37A H -0.0169 0.1969 0.0193 0.021 Uiso 1 1 calc R . . H37B H -0.0403 0.2300 -0.0558 0.021 Uiso 1 1 calc R . . C38 C 0.0216(2) 0.30616(17) 0.01480(15) 0.0172(6) Uani 1 1 d . . . C39 C -0.0506(2) 0.3553(2) 0.00967(17) 0.0244(7) Uani 1 1 d . . . H39 H -0.1071 0.3419 -0.0151 0.029 Uiso 1 1 calc R . . C40 C -0.0381(3) 0.4240(2) 0.04156(19) 0.0294(8) Uani 1 1 d . . . H40 H -0.0864 0.4571 0.0396 0.035 Uiso 1 1 calc R . . C41 C 0.0471(3) 0.4435(2) 0.07668(19) 0.0289(8) Uani 1 1 d . . . H41 H 0.0573 0.4900 0.0981 0.035 Uiso 1 1 calc R . . C42 C 0.1159(2) 0.39284(19) 0.07908(17) 0.0241(7) Uani 1 1 d . . . H42 H 0.1734 0.4059 0.1024 0.029 Uiso 1 1 calc R . . N1 N 0.17470(17) 0.32608(15) -0.10378(13) 0.0163(5) Uani 1 1 d . . . N1N N 0.2776(2) 0.42132(17) 0.26679(15) 0.0272(6) Uani 1 1 d . . . N2 N 0.34781(17) 0.40022(14) -0.09087(13) 0.0160(5) Uani 1 1 d . . . N2N N 0.19837(19) 0.84075(18) 0.01773(17) 0.0292(7) Uani 1 1 d . . . N3 N 0.42149(17) 0.31769(14) 0.04114(13) 0.0159(5) Uani 1 1 d . . . N3N N 0.6913(2) 0.1134(2) 0.70431(19) 0.0386(8) Uani 1 1 d . . . N4 N 0.33426(17) 0.17937(14) 0.10989(13) 0.0164(5) Uani 1 1 d . . . N5 N 0.16001(17) 0.10862(14) 0.09992(13) 0.0160(5) Uani 1 1 d . . . N6 N 0.08660(17) 0.19116(14) -0.03259(12) 0.0150(5) Uani 1 1 d . . . N7 N 0.40273(18) 0.27597(16) -0.19485(13) 0.0197(5) Uani 1 1 d . . . N8 N 0.41171(18) 0.18437(15) -0.03804(13) 0.0189(5) Uani 1 1 d . . . N9 N 0.12072(18) 0.23672(15) 0.20877(13) 0.0184(5) Uani 1 1 d . . . N10 N 0.10419(18) 0.32459(15) 0.04912(13) 0.0189(5) Uani 1 1 d . . . O1N O 0.2982(2) 0.39786(17) 0.21121(14) 0.0399(7) Uani 1 1 d . . . O1W O 0.20206(19) 0.74016(16) 0.19569(16) 0.0397(7) Uani 1 1 d . . . O2N O 0.24558(18) 0.37702(14) 0.30530(14) 0.0327(6) Uani 1 1 d . . . O2W O 0.4803(2) 0.03661(19) 0.72723(18) 0.0567(9) Uani 1 1 d . . . O3N O 0.2908(2) 0.48843(14) 0.28421(14) 0.0361(6) Uani 1 1 d . . . O3W O 0.9603(2) 0.96862(18) 0.21083(16) 0.0488(8) Uani 1 1 d . . . O4N O 0.22166(19) 0.78815(17) 0.05903(15) 0.0421(7) Uani 1 1 d . . . O4W O 0.11410(19) 0.90502(17) 0.16810(15) 0.0420(7) Uani 1 1 d . . . O5N O 0.1636(2) 0.89855(16) 0.03678(16) 0.0449(7) Uani 1 1 d . . . O5W O 0.2083(2) 0.58424(17) 0.17034(16) 0.0471(7) Uani 1 1 d . . . O6N O 0.20878(18) 0.83460(17) -0.04433(14) 0.0386(7) Uani 1 1 d . . . O6W O 0.7252(2) 0.16817(18) 0.53762(18) 0.0535(8) Uani 1 1 d . . . O7N O 0.61866(19) 0.1104(2) 0.66336(16) 0.0505(8) Uani 1 1 d . . . O7W O 0.1960(3) 0.51482(19) 0.39645(19) 0.0642(11) Uani 1 1 d . . . O8N O 0.7570(2) 0.1486(3) 0.68838(19) 0.0751(13) Uani 1 1 d . . . O8W O 0.7119(3) 0.04634(19) 0.44709(17) 0.0661(11) Uani 1 1 d . . . O9N O 0.7009(2) 0.0798(2) 0.76062(18) 0.0642(11) Uani 1 1 d . . . Ag1 Ag 0.262113(16) 0.241842(14) 0.258222(13) 0.02123(7) Uani 1 1 d . . . Ag2 Ag 0.208111(15) 0.235946(13) 0.062540(12) 0.01752(6) Uani 1 1 d . . . Ag3 Ag 0.302733(15) 0.270667(13) -0.055276(12) 0.01759(6) 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 C1 0.0152(14) 0.0233(16) 0.0103(13) -0.0014(11) 0.0060(11) 0.0005(12) C2 0.0166(15) 0.0287(18) 0.0137(14) -0.0004(12) 0.0026(12) -0.0013(12) C3 0.0197(15) 0.0280(18) 0.0156(15) 0.0011(13) 0.0030(12) 0.0063(13) C4 0.0253(16) 0.0208(16) 0.0177(15) 0.0015(12) 0.0073(13) 0.0053(13) C5 0.0190(15) 0.0196(16) 0.0150(14) -0.0014(12) 0.0059(12) 0.0008(12) C6 0.0200(15) 0.0180(16) 0.0224(16) -0.0010(12) 0.0041(13) 0.0016(12) C7 0.0194(15) 0.0191(15) 0.0192(15) -0.0003(12) 0.0008(12) -0.0050(12) C8 0.0220(16) 0.0183(15) 0.0158(15) -0.0028(12) 0.0020(12) -0.0032(12) C9 0.0180(15) 0.0218(16) 0.0140(14) -0.0006(12) 0.0041(11) -0.0024(12) C10 0.0182(15) 0.0236(16) 0.0112(14) -0.0002(12) 0.0060(11) -0.0023(12) C11 0.0166(15) 0.0275(17) 0.0164(15) -0.0009(13) 0.0034(12) -0.0033(12) C12 0.0200(15) 0.0286(18) 0.0166(15) 0.0014(13) 0.0027(12) 0.0068(13) C13 0.0240(16) 0.0207(16) 0.0185(15) 0.0012(12) 0.0061(13) 0.0036(13) C14 0.0195(15) 0.0201(15) 0.0135(14) -0.0014(12) 0.0059(12) 0.0022(12) C15 0.0197(15) 0.0153(15) 0.0233(16) -0.0003(12) 0.0045(13) 0.0002(12) C16 0.0210(15) 0.0172(15) 0.0171(15) -0.0008(12) 0.0001(12) -0.0037(12) C17 0.0193(15) 0.0191(15) 0.0166(15) -0.0031(12) 0.0027(12) -0.0014(12) C18 0.0185(14) 0.0207(16) 0.0130(14) -0.0021(12) 0.0036(11) -0.0021(12) C19 0.0192(15) 0.0209(16) 0.0150(15) 0.0022(12) 0.0044(12) -0.0022(12) C20 0.0184(15) 0.0258(17) 0.0125(14) 0.0032(12) 0.0046(11) 0.0002(12) C21 0.0206(16) 0.035(2) 0.0187(16) -0.0011(14) 0.0052(13) -0.0045(14) C22 0.0176(16) 0.050(2) 0.0217(17) 0.0011(16) 0.0055(13) 0.0031(15) C23 0.0251(17) 0.040(2) 0.0225(17) 0.0057(15) 0.0081(14) 0.0111(15) C24 0.0269(17) 0.0270(18) 0.0193(16) 0.0010(13) 0.0080(13) 0.0030(14) C25 0.0160(14) 0.0240(16) 0.0188(15) -0.0010(12) 0.0058(12) -0.0012(12) C26 0.0216(15) 0.0233(16) 0.0138(14) 0.0014(12) 0.0048(12) 0.0029(13) C27 0.0230(17) 0.0328(19) 0.0251(18) 0.0024(15) 0.0061(14) 0.0050(14) C28 0.035(2) 0.033(2) 0.037(2) -0.0003(17) 0.0106(17) 0.0146(16) C29 0.045(2) 0.0224(18) 0.031(2) -0.0052(15) 0.0095(17) 0.0059(16) C30 0.0318(18) 0.0228(17) 0.0173(16) -0.0004(13) 0.0024(13) 0.0033(14) C31 0.0200(15) 0.0196(16) 0.0160(15) 0.0009(12) 0.0023(12) -0.0018(12) C32 0.0189(15) 0.0224(16) 0.0111(14) 0.0021(12) 0.0022(11) 0.0015(12) C33 0.0220(16) 0.0330(19) 0.0165(15) -0.0025(13) 0.0030(13) -0.0007(14) C34 0.0178(16) 0.049(2) 0.0191(16) 0.0005(15) 0.0028(13) 0.0039(15) C35 0.0246(17) 0.035(2) 0.0180(16) -0.0004(14) 0.0057(13) 0.0101(14) C36 0.0242(16) 0.0243(17) 0.0154(15) -0.0002(13) 0.0049(12) 0.0023(13) C37 0.0142(14) 0.0226(16) 0.0161(14) 0.0030(12) 0.0047(11) 0.0003(12) C38 0.0192(15) 0.0200(16) 0.0137(14) 0.0019(12) 0.0067(12) -0.0003(12) C39 0.0231(16) 0.0290(18) 0.0218(17) 0.0003(14) 0.0058(13) 0.0040(14) C40 0.0307(19) 0.0279(19) 0.0310(19) 0.0014(15) 0.0095(15) 0.0112(15) C41 0.040(2) 0.0204(17) 0.0274(18) -0.0049(14) 0.0078(16) 0.0055(15) C42 0.0291(18) 0.0205(16) 0.0213(16) -0.0032(13) 0.0008(14) 0.0015(13) N1 0.0150(12) 0.0211(13) 0.0137(12) -0.0020(10) 0.0050(10) 0.0005(10) N1N 0.0259(15) 0.0294(16) 0.0252(15) -0.0041(13) 0.0016(12) 0.0023(12) N2 0.0159(12) 0.0183(13) 0.0139(12) -0.0002(10) 0.0026(10) -0.0017(10) N2N 0.0187(14) 0.0332(17) 0.0354(17) -0.0036(14) 0.0039(12) -0.0053(12) N3 0.0156(12) 0.0180(13) 0.0142(12) -0.0008(10) 0.0033(10) -0.0007(10) N3N 0.0291(17) 0.044(2) 0.042(2) -0.0043(16) 0.0040(15) -0.0073(15) N4 0.0165(12) 0.0191(13) 0.0138(12) -0.0014(10) 0.0035(10) 0.0013(10) N5 0.0180(13) 0.0172(13) 0.0127(12) -0.0008(10) 0.0026(10) -0.0017(10) N6 0.0163(12) 0.0179(13) 0.0115(12) -0.0029(10) 0.0043(9) 0.0004(10) N7 0.0173(12) 0.0262(15) 0.0161(13) 0.0041(11) 0.0048(10) -0.0007(11) N8 0.0223(13) 0.0189(13) 0.0159(13) -0.0009(10) 0.0043(10) 0.0010(10) N9 0.0183(13) 0.0240(14) 0.0140(12) 0.0023(10) 0.0055(10) -0.0004(10) N10 0.0222(13) 0.0206(14) 0.0144(12) -0.0009(10) 0.0047(10) 0.0010(11) O1N 0.0418(16) 0.0524(18) 0.0269(14) -0.0128(13) 0.0099(12) 0.0027(14) O1W 0.0358(15) 0.0353(16) 0.0511(18) 0.0019(13) 0.0162(13) 0.0004(12) O2N 0.0384(15) 0.0284(14) 0.0317(14) -0.0004(11) 0.0074(12) -0.0047(11) O2W 0.052(2) 0.055(2) 0.066(2) 0.0290(18) 0.0197(17) 0.0162(16) O3N 0.0505(17) 0.0234(13) 0.0368(15) -0.0031(11) 0.0145(13) -0.0029(12) O3W 0.058(2) 0.0453(18) 0.0449(18) -0.0181(15) 0.0130(15) -0.0115(15) O4N 0.0368(16) 0.0462(17) 0.0440(17) 0.0121(14) 0.0086(13) 0.0092(13) O4W 0.0338(15) 0.0507(18) 0.0393(16) 0.0033(14) 0.0000(12) 0.0022(13) O5N 0.0586(19) 0.0291(15) 0.0521(19) -0.0047(13) 0.0234(16) 0.0013(14) O5W 0.0564(19) 0.0397(17) 0.0463(18) 0.0048(14) 0.0121(15) 0.0041(14) O6N 0.0355(15) 0.0523(18) 0.0272(14) -0.0068(13) 0.0033(12) 0.0029(13) O6W 0.0514(19) 0.0476(19) 0.069(2) 0.0061(17) 0.0304(17) -0.0009(15) O7N 0.0275(15) 0.072(2) 0.0477(18) 0.0176(16) -0.0046(13) -0.0009(14) O7W 0.097(3) 0.045(2) 0.065(2) -0.0117(17) 0.054(2) -0.0205(19) O8N 0.051(2) 0.119(4) 0.057(2) -0.009(2) 0.0153(18) -0.047(2) O8W 0.103(3) 0.049(2) 0.046(2) 0.0147(16) 0.0085(19) -0.025(2) O9N 0.051(2) 0.082(3) 0.050(2) 0.0264(19) -0.0159(16) -0.0170(19) Ag1 0.01632(12) 0.02370(13) 0.02335(13) -0.00036(10) 0.00260(9) 0.00062(9) Ag2 0.01468(11) 0.01768(12) 0.01988(12) 0.00143(9) 0.00215(8) 0.00072(8) Ag3 0.01460(11) 0.01825(12) 0.01944(12) 0.00092(9) 0.00169(8) -0.00009(8) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 N1 1.353(4) . ? C1 C2 1.384(4) . ? C1 C18 1.501(4) . ? C2 C3 1.378(5) . ? C2 H2 0.9300 . ? C3 C4 1.382(5) . ? C3 H3 0.9300 . ? C4 C5 1.389(4) . ? C4 H4 0.9300 . ? C5 N1 1.342(4) . ? C5 C6 1.506(4) . ? C6 N2 1.469(4) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C7 N2 1.479(4) . ? C7 C8 1.517(4) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C8 N3 1.481(4) . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? C9 N3 1.477(4) . ? C9 C10 1.499(4) . ? C9 H9A 0.9700 . ? C9 H9B 0.9700 . ? C10 N4 1.351(4) . ? C10 C11 1.386(4) . ? C11 C12 1.383(5) . ? C11 H11 0.9300 . ? C12 C13 1.386(5) . ? C12 H12 0.9300 . ? C13 C14 1.383(4) . ? C13 H13 0.9300 . ? C14 N4 1.345(4) . ? C14 C15 1.512(4) . ? C15 N5 1.469(4) . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? C16 N5 1.475(4) . ? C16 C17 1.521(4) . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C17 N6 1.478(4) . ? C17 H17A 0.9700 . ? C17 H17B 0.9700 . ? C18 N6 1.486(4) . ? C18 H18A 0.9700 . ? C18 H18B 0.9700 . ? C19 N2 1.483(4) . ? C19 C20 1.509(4) . ? C19 H19A 0.9700 . ? C19 H19B 0.9700 . ? C20 N7 1.347(4) . ? C20 C21 1.392(4) . ? C21 C22 1.379(5) . ? C21 H21 0.9300 . ? C22 C23 1.383(6) . ? C22 H22 0.9300 . ? C23 C24 1.385(5) . ? C23 H23 0.9300 . ? C24 N7 1.348(4) . ? C24 H24 0.9300 . ? C25 N3 1.471(4) . ? C25 C26 1.510(4) . ? C25 H25A 0.9700 . ? C25 H25B 0.9700 . ? C26 N8 1.343(4) . ? C26 C27 1.383(5) . ? C27 C28 1.381(5) . ? C27 H27 0.9300 . ? C28 C29 1.381(6) . ? C28 H28 0.9300 . ? C29 C30 1.376(5) . ? C29 H29 0.9300 . ? C30 N8 1.340(4) . ? C30 H30 0.9300 . ? C31 N5 1.485(4) . ? C31 C32 1.505(4) . ? C31 H31A 0.9700 . ? C31 H31B 0.9700 . ? C32 N9 1.352(4) . ? C32 C33 1.391(4) . ? C33 C34 1.383(5) . ? C33 H33 0.9300 . ? C34 C35 1.379(5) . ? C34 H34 0.9300 . ? C35 C36 1.382(5) . ? C35 H35 0.9300 . ? C36 N9 1.343(4) . ? C36 H36 0.9300 . ? C37 N6 1.469(4) . ? C37 C38 1.514(4) . ? C37 H37A 0.9700 . ? C37 H37B 0.9700 . ? C38 N10 1.341(4) . ? C38 C39 1.383(4) . ? C39 C40 1.374(5) . ? C39 H39 0.9300 . ? C40 C41 1.384(5) . ? C40 H40 0.9300 . ? C41 C42 1.367(5) . ? C41 H41 0.9300 . ? C42 N10 1.350(4) . ? C42 H42 0.9300 . ? N1 Ag3 2.218(3) . ? N1N O2N 1.245(4) . ? N1N O1N 1.253(4) . ? N1N O3N 1.251(4) . ? N2 Ag3 2.541(3) . ? N2N O5N 1.242(4) . ? N2N O4N 1.247(4) . ? N2N O6N 1.255(4) . ? N3 Ag3 2.498(2) . ? N3N O7N 1.234(4) . ? N3N O9N 1.240(5) . ? N3N O8N 1.253(4) . ? N4 Ag2 2.199(2) . ? N5 Ag2 2.531(3) . ? N6 Ag2 2.494(2) . ? N7 Ag1 2.169(3) 4_565 ? N8 Ag3 2.228(3) . ? N9 Ag1 2.171(3) . ? N10 Ag2 2.204(3) . ? Ag1 N7 2.169(3) 4_566 ? Ag2 Ag3 2.9748(5) . ? 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 C1 C2 121.5(3) . . ? N1 C1 C18 117.4(3) . . ? C2 C1 C18 121.1(3) . . ? C3 C2 C1 119.7(3) . . ? C3 C2 H2 120.1 . . ? C1 C2 H2 120.1 . . ? C2 C3 C4 118.7(3) . . ? C2 C3 H3 120.7 . . ? C4 C3 H3 120.7 . . ? C3 C4 C5 119.4(3) . . ? C3 C4 H4 120.3 . . ? C5 C4 H4 120.3 . . ? N1 C5 C4 121.7(3) . . ? N1 C5 C6 118.1(3) . . ? C4 C5 C6 120.0(3) . . ? N2 C6 C5 114.3(3) . . ? N2 C6 H6A 108.7 . . ? C5 C6 H6A 108.7 . . ? N2 C6 H6B 108.7 . . ? C5 C6 H6B 108.7 . . ? H6A C6 H6B 107.6 . . ? N2 C7 C8 113.7(3) . . ? N2 C7 H7A 108.8 . . ? C8 C7 H7A 108.8 . . ? N2 C7 H7B 108.8 . . ? C8 C7 H7B 108.8 . . ? H7A C7 H7B 107.7 . . ? N3 C8 C7 114.7(3) . . ? N3 C8 H8A 108.6 . . ? C7 C8 H8A 108.6 . . ? N3 C8 H8B 108.6 . . ? C7 C8 H8B 108.6 . . ? H8A C8 H8B 107.6 . . ? N3 C9 C10 114.7(2) . . ? N3 C9 H9A 108.6 . . ? C10 C9 H9A 108.6 . . ? N3 C9 H9B 108.6 . . ? C10 C9 H9B 108.6 . . ? H9A C9 H9B 107.6 . . ? N4 C10 C11 121.1(3) . . ? N4 C10 C9 117.4(3) . . ? C11 C10 C9 121.5(3) . . ? C12 C11 C10 119.6(3) . . ? C12 C11 H11 120.2 . . ? C10 C11 H11 120.2 . . ? C11 C12 C13 118.9(3) . . ? C11 C12 H12 120.5 . . ? C13 C12 H12 120.5 . . ? C14 C13 C12 119.1(3) . . ? C14 C13 H13 120.5 . . ? C12 C13 H13 120.5 . . ? N4 C14 C13 121.9(3) . . ? N4 C14 C15 118.2(3) . . ? C13 C14 C15 119.8(3) . . ? N5 C15 C14 114.4(3) . . ? N5 C15 H15A 108.7 . . ? C14 C15 H15A 108.7 . . ? N5 C15 H15B 108.7 . . ? C14 C15 H15B 108.7 . . ? H15A C15 H15B 107.6 . . ? N5 C16 C17 113.8(3) . . ? N5 C16 H16A 108.8 . . ? C17 C16 H16A 108.8 . . ? N5 C16 H16B 108.8 . . ? C17 C16 H16B 108.8 . . ? H16A C16 H16B 107.7 . . ? N6 C17 C16 115.1(2) . . ? N6 C17 H17A 108.5 . . ? C16 C17 H17A 108.5 . . ? N6 C17 H17B 108.5 . . ? C16 C17 H17B 108.5 . . ? H17A C17 H17B 107.5 . . ? N6 C18 C1 113.9(2) . . ? N6 C18 H18A 108.8 . . ? C1 C18 H18A 108.8 . . ? N6 C18 H18B 108.8 . . ? C1 C18 H18B 108.8 . . ? H18A C18 H18B 107.7 . . ? N2 C19 C20 110.9(2) . . ? N2 C19 H19A 109.5 . . ? C20 C19 H19A 109.5 . . ? N2 C19 H19B 109.5 . . ? C20 C19 H19B 109.5 . . ? H19A C19 H19B 108.0 . . ? N7 C20 C21 121.0(3) . . ? N7 C20 C19 117.9(3) . . ? C21 C20 C19 121.0(3) . . ? C22 C21 C20 120.0(3) . . ? C22 C21 H21 120.0 . . ? C20 C21 H21 120.0 . . ? C21 C22 C23 118.8(3) . . ? C21 C22 H22 120.6 . . ? C23 C22 H22 120.6 . . ? C22 C23 C24 118.7(3) . . ? C22 C23 H23 120.7 . . ? C24 C23 H23 120.7 . . ? N7 C24 C23 122.7(3) . . ? N7 C24 H24 118.6 . . ? C23 C24 H24 118.6 . . ? N3 C25 C26 114.2(3) . . ? N3 C25 H25A 108.7 . . ? C26 C25 H25A 108.7 . . ? N3 C25 H25B 108.7 . . ? C26 C25 H25B 108.7 . . ? H25A C25 H25B 107.6 . . ? N8 C26 C27 121.7(3) . . ? N8 C26 C25 118.9(3) . . ? C27 C26 C25 119.4(3) . . ? C28 C27 C26 119.3(3) . . ? C28 C27 H27 120.3 . . ? C26 C27 H27 120.3 . . ? C29 C28 C27 119.0(3) . . ? C29 C28 H28 120.5 . . ? C27 C28 H28 120.5 . . ? C30 C29 C28 118.5(3) . . ? C30 C29 H29 120.8 . . ? C28 C29 H29 120.8 . . ? N8 C30 C29 123.0(3) . . ? N8 C30 H30 118.5 . . ? C29 C30 H30 118.5 . . ? N5 C31 C32 111.2(2) . . ? N5 C31 H31A 109.4 . . ? C32 C31 H31A 109.4 . . ? N5 C31 H31B 109.4 . . ? C32 C31 H31B 109.4 . . ? H31A C31 H31B 108.0 . . ? N9 C32 C33 120.5(3) . . ? N9 C32 C31 118.0(3) . . ? C33 C32 C31 121.6(3) . . ? C34 C33 C32 120.0(3) . . ? C34 C33 H33 120.0 . . ? C32 C33 H33 120.0 . . ? C35 C34 C33 119.0(3) . . ? C35 C34 H34 120.5 . . ? C33 C34 H34 120.5 . . ? C34 C35 C36 118.6(3) . . ? C34 C35 H35 120.7 . . ? C36 C35 H35 120.7 . . ? N9 C36 C35 122.7(3) . . ? N9 C36 H36 118.6 . . ? C35 C36 H36 118.6 . . ? N6 C37 C38 115.1(2) . . ? N6 C37 H37A 108.5 . . ? C38 C37 H37A 108.5 . . ? N6 C37 H37B 108.5 . . ? C38 C37 H37B 108.5 . . ? H37A C37 H37B 107.5 . . ? N10 C38 C39 121.5(3) . . ? N10 C38 C37 118.8(3) . . ? C39 C38 C37 119.6(3) . . ? C40 C39 C38 119.4(3) . . ? C40 C39 H39 120.3 . . ? C38 C39 H39 120.3 . . ? C39 C40 C41 119.3(3) . . ? C39 C40 H40 120.3 . . ? C41 C40 H40 120.3 . . ? C42 C41 C40 118.4(3) . . ? C42 C41 H41 120.8 . . ? C40 C41 H41 120.8 . . ? N10 C42 C41 122.9(3) . . ? N10 C42 H42 118.6 . . ? C41 C42 H42 118.6 . . ? C5 N1 C1 118.9(3) . . ? C5 N1 Ag3 117.4(2) . . ? C1 N1 Ag3 123.6(2) . . ? O2N N1N O1N 119.5(3) . . ? O2N N1N O3N 120.2(3) . . ? O1N N1N O3N 120.3(3) . . ? C6 N2 C7 109.3(2) . . ? C6 N2 C19 110.5(2) . . ? C7 N2 C19 111.7(2) . . ? C6 N2 Ag3 100.41(18) . . ? C7 N2 Ag3 109.57(18) . . ? C19 N2 Ag3 114.75(18) . . ? O5N N2N O4N 121.0(3) . . ? O5N N2N O6N 119.5(3) . . ? O4N N2N O6N 119.4(3) . . ? C25 N3 C9 110.2(2) . . ? C25 N3 C8 112.7(2) . . ? C9 N3 C8 107.4(2) . . ? C25 N3 Ag3 102.00(17) . . ? C9 N3 Ag3 118.91(18) . . ? C8 N3 Ag3 105.64(17) . . ? O7N N3N O9N 120.4(4) . . ? O7N N3N O8N 120.2(4) . . ? O9N N3N O8N 119.4(4) . . ? C14 N4 C10 119.4(3) . . ? C14 N4 Ag2 117.6(2) . . ? C10 N4 Ag2 122.9(2) . . ? C15 N5 C16 110.3(2) . . ? C15 N5 C31 111.0(2) . . ? C16 N5 C31 111.2(2) . . ? C15 N5 Ag2 100.54(17) . . ? C16 N5 Ag2 109.38(18) . . ? C31 N5 Ag2 113.93(18) . . ? C37 N6 C17 112.8(2) . . ? C37 N6 C18 110.5(2) . . ? C17 N6 C18 106.9(2) . . ? C37 N6 Ag2 101.60(17) . . ? C17 N6 Ag2 105.81(17) . . ? C18 N6 Ag2 119.27(18) . . ? C24 N7 C20 118.7(3) . . ? C24 N7 Ag1 116.3(2) . 4_565 ? C20 N7 Ag1 124.4(2) . 4_565 ? C30 N8 C26 118.5(3) . . ? C30 N8 Ag3 124.2(2) . . ? C26 N8 Ag3 116.8(2) . . ? C36 N9 C32 119.1(3) . . ? C36 N9 Ag1 116.4(2) . . ? C32 N9 Ag1 123.7(2) . . ? C38 N10 C42 118.5(3) . . ? C38 N10 Ag2 117.0(2) . . ? C42 N10 Ag2 124.1(2) . . ? N7 Ag1 N9 169.10(10) 4_566 . ? N4 Ag2 N10 156.55(10) . . ? N4 Ag2 N6 128.86(9) . . ? N10 Ag2 N6 74.53(9) . . ? N4 Ag2 N5 74.56(9) . . ? N10 Ag2 N5 116.60(9) . . ? N6 Ag2 N5 73.71(8) . . ? N4 Ag2 Ag3 85.95(7) . . ? N10 Ag2 Ag3 100.48(7) . . ? N6 Ag2 Ag3 82.83(6) . . ? N5 Ag2 Ag3 127.55(6) . . ? N1 Ag3 N8 158.35(9) . . ? N1 Ag3 N3 128.34(9) . . ? N8 Ag3 N3 73.27(9) . . ? N1 Ag3 N2 74.27(9) . . ? N8 Ag3 N2 116.59(9) . . ? N3 Ag3 N2 73.27(8) . . ? N1 Ag3 Ag2 85.93(7) . . ? N8 Ag3 Ag2 100.13(7) . . ? N3 Ag3 Ag2 81.94(6) . . ? N2 Ag3 Ag2 126.00(6) . . ? 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 N1 C1 C2 C3 2.3(5) . . . . ? C18 C1 C2 C3 -176.8(3) . . . . ? C1 C2 C3 C4 -1.4(5) . . . . ? C2 C3 C4 C5 -1.5(5) . . . . ? C3 C4 C5 N1 3.7(5) . . . . ? C3 C4 C5 C6 -171.1(3) . . . . ? N1 C5 C6 N2 41.0(4) . . . . ? C4 C5 C6 N2 -144.1(3) . . . . ? N2 C7 C8 N3 55.7(4) . . . . ? N3 C9 C10 N4 -81.1(3) . . . . ? N3 C9 C10 C11 99.8(3) . . . . ? N4 C10 C11 C12 -2.2(5) . . . . ? C9 C10 C11 C12 177.0(3) . . . . ? C10 C11 C12 C13 0.8(5) . . . . ? C11 C12 C13 C14 1.5(5) . . . . ? C12 C13 C14 N4 -2.6(5) . . . . ? C12 C13 C14 C15 173.2(3) . . . . ? N4 C14 C15 N5 -37.8(4) . . . . ? C13 C14 C15 N5 146.3(3) . . . . ? N5 C16 C17 N6 -55.5(4) . . . . ? N1 C1 C18 N6 79.7(3) . . . . ? C2 C1 C18 N6 -101.1(3) . . . . ? N2 C19 C20 N7 87.6(3) . . . . ? N2 C19 C20 C21 -89.9(3) . . . . ? N7 C20 C21 C22 -4.2(5) . . . . ? C19 C20 C21 C22 173.3(3) . . . . ? C20 C21 C22 C23 2.2(5) . . . . ? C21 C22 C23 C24 0.9(5) . . . . ? C22 C23 C24 N7 -2.2(5) . . . . ? N3 C25 C26 N8 27.1(4) . . . . ? N3 C25 C26 C27 -156.3(3) . . . . ? N8 C26 C27 C28 0.8(5) . . . . ? C25 C26 C27 C28 -175.7(3) . . . . ? C26 C27 C28 C29 -1.5(6) . . . . ? C27 C28 C29 C30 0.4(6) . . . . ? C28 C29 C30 N8 1.5(6) . . . . ? N5 C31 C32 N9 -90.8(3) . . . . ? N5 C31 C32 C33 88.2(4) . . . . ? N9 C32 C33 C34 4.1(5) . . . . ? C31 C32 C33 C34 -174.8(3) . . . . ? C32 C33 C34 C35 -2.3(5) . . . . ? C33 C34 C35 C36 -0.2(5) . . . . ? C34 C35 C36 N9 0.9(5) . . . . ? N6 C37 C38 N10 -28.0(4) . . . . ? N6 C37 C38 C39 156.2(3) . . . . ? N10 C38 C39 C40 -1.3(5) . . . . ? C37 C38 C39 C40 174.4(3) . . . . ? C38 C39 C40 C41 1.7(5) . . . . ? C39 C40 C41 C42 -0.8(6) . . . . ? C40 C41 C42 N10 -0.4(6) . . . . ? C4 C5 N1 C1 -2.8(4) . . . . ? C6 C5 N1 C1 172.1(3) . . . . ? C4 C5 N1 Ag3 173.0(2) . . . . ? C6 C5 N1 Ag3 -12.2(4) . . . . ? C2 C1 N1 C5 -0.2(4) . . . . ? C18 C1 N1 C5 179.0(3) . . . . ? C2 C1 N1 Ag3 -175.7(2) . . . . ? C18 C1 N1 Ag3 3.5(4) . . . . ? C5 C6 N2 C7 -156.4(3) . . . . ? C5 C6 N2 C19 80.3(3) . . . . ? C5 C6 N2 Ag3 -41.2(3) . . . . ? C8 C7 N2 C6 81.1(3) . . . . ? C8 C7 N2 C19 -156.3(3) . . . . ? C8 C7 N2 Ag3 -28.0(3) . . . . ? C20 C19 N2 C6 -160.4(2) . . . . ? C20 C19 N2 C7 77.7(3) . . . . ? C20 C19 N2 Ag3 -47.8(3) . . . . ? C26 C25 N3 C9 88.0(3) . . . . ? C26 C25 N3 C8 -152.0(3) . . . . ? C26 C25 N3 Ag3 -39.2(3) . . . . ? C10 C9 N3 C25 -58.7(3) . . . . ? C10 C9 N3 C8 178.2(2) . . . . ? C10 C9 N3 Ag3 58.5(3) . . . . ? C7 C8 N3 C25 61.0(3) . . . . ? C7 C8 N3 C9 -177.4(2) . . . . ? C7 C8 N3 Ag3 -49.6(3) . . . . ? C13 C14 N4 C10 1.3(4) . . . . ? C15 C14 N4 C10 -174.6(3) . . . . ? C13 C14 N4 Ag2 -175.6(2) . . . . ? C15 C14 N4 Ag2 8.6(4) . . . . ? C11 C10 N4 C14 1.1(4) . . . . ? C9 C10 N4 C14 -178.1(3) . . . . ? C11 C10 N4 Ag2 177.8(2) . . . . ? C9 C10 N4 Ag2 -1.4(4) . . . . ? C14 C15 N5 C16 155.6(3) . . . . ? C14 C15 N5 C31 -80.7(3) . . . . ? C14 C15 N5 Ag2 40.2(3) . . . . ? C17 C16 N5 C15 -80.4(3) . . . . ? C17 C16 N5 C31 156.0(3) . . . . ? C17 C16 N5 Ag2 29.3(3) . . . . ? C32 C31 N5 C15 157.7(2) . . . . ? C32 C31 N5 C16 -79.1(3) . . . . ? C32 C31 N5 Ag2 45.1(3) . . . . ? C38 C37 N6 C17 150.0(2) . . . . ? C38 C37 N6 C18 -90.4(3) . . . . ? C38 C37 N6 Ag2 37.2(3) . . . . ? C16 C17 N6 C37 -62.5(3) . . . . ? C16 C17 N6 C18 175.8(2) . . . . ? C16 C17 N6 Ag2 47.7(3) . . . . ? C1 C18 N6 C37 55.9(3) . . . . ? C1 C18 N6 C17 179.0(2) . . . . ? C1 C18 N6 Ag2 -61.2(3) . . . . ? C23 C24 N7 C20 0.3(5) . . . . ? C23 C24 N7 Ag1 171.9(3) . . . 4_565 ? C21 C20 N7 C24 2.9(5) . . . . ? C19 C20 N7 C24 -174.7(3) . . . . ? C21 C20 N7 Ag1 -167.9(2) . . . 4_565 ? C19 C20 N7 Ag1 14.5(4) . . . 4_565 ? C29 C30 N8 C26 -2.3(5) . . . . ? C29 C30 N8 Ag3 169.1(3) . . . . ? C27 C26 N8 C30 1.1(5) . . . . ? C25 C26 N8 C30 177.6(3) . . . . ? C27 C26 N8 Ag3 -170.9(2) . . . . ? C25 C26 N8 Ag3 5.6(4) . . . . ? C35 C36 N9 C32 0.8(5) . . . . ? C35 C36 N9 Ag1 -169.2(3) . . . . ? C33 C32 N9 C36 -3.3(4) . . . . ? C31 C32 N9 C36 175.6(3) . . . . ? C33 C32 N9 Ag1 166.0(2) . . . . ? C31 C32 N9 Ag1 -15.1(4) . . . . ? C39 C38 N10 C42 0.1(5) . . . . ? C37 C38 N10 C42 -175.6(3) . . . . ? C39 C38 N10 Ag2 173.4(2) . . . . ? C37 C38 N10 Ag2 -2.3(4) . . . . ? C41 C42 N10 C38 0.8(5) . . . . ? C41 C42 N10 Ag2 -172.0(3) . . . . ? C36 N9 Ag1 N7 164.0(5) . . . 4_566 ? C32 N9 Ag1 N7 -5.6(7) . . . 4_566 ? C14 N4 Ag2 N10 132.9(3) . . . . ? C10 N4 Ag2 N10 -43.9(4) . . . . ? C14 N4 Ag2 N6 -42.6(3) . . . . ? C10 N4 Ag2 N6 140.7(2) . . . . ? C14 N4 Ag2 N5 10.8(2) . . . . ? C10 N4 Ag2 N5 -165.9(2) . . . . ? C14 N4 Ag2 Ag3 -120.0(2) . . . . ? C10 N4 Ag2 Ag3 63.3(2) . . . . ? C38 N10 Ag2 N4 -158.8(2) . . . . ? C42 N10 Ag2 N4 14.1(4) . . . . ? C38 N10 Ag2 N6 17.5(2) . . . . ? C42 N10 Ag2 N6 -169.6(3) . . . . ? C38 N10 Ag2 N5 -44.9(2) . . . . ? C42 N10 Ag2 N5 128.1(3) . . . . ? C38 N10 Ag2 Ag3 96.9(2) . . . . ? C42 N10 Ag2 Ag3 -90.1(3) . . . . ? C37 N6 Ag2 N4 149.73(17) . . . . ? C17 N6 Ag2 N4 31.8(2) . . . . ? C18 N6 Ag2 N4 -88.6(2) . . . . ? C37 N6 Ag2 N10 -28.39(17) . . . . ? C17 N6 Ag2 N10 -146.3(2) . . . . ? C18 N6 Ag2 N10 93.3(2) . . . . ? C37 N6 Ag2 N5 96.02(18) . . . . ? C17 N6 Ag2 N5 -21.94(18) . . . . ? C18 N6 Ag2 N5 -142.3(2) . . . . ? C37 N6 Ag2 Ag3 -131.39(17) . . . . ? C17 N6 Ag2 Ag3 110.65(18) . . . . ? C18 N6 Ag2 Ag3 -9.70(19) . . . . ? C15 N5 Ag2 N4 -26.85(17) . . . . ? C16 N5 Ag2 N4 -142.9(2) . . . . ? C31 N5 Ag2 N4 91.9(2) . . . . ? C15 N5 Ag2 N10 175.31(17) . . . . ? C16 N5 Ag2 N10 59.2(2) . . . . ? C31 N5 Ag2 N10 -66.0(2) . . . . ? C15 N5 Ag2 N6 112.52(18) . . . . ? C16 N5 Ag2 N6 -3.58(19) . . . . ? C31 N5 Ag2 N6 -128.8(2) . . . . ? C15 N5 Ag2 Ag3 45.40(19) . . . . ? C16 N5 Ag2 Ag3 -70.7(2) . . . . ? C31 N5 Ag2 Ag3 164.13(16) . . . . ? C5 N1 Ag3 N8 -132.0(3) . . . . ? C1 N1 Ag3 N8 43.5(4) . . . . ? C5 N1 Ag3 N3 44.3(3) . . . . ? C1 N1 Ag3 N3 -140.2(2) . . . . ? C5 N1 Ag3 N2 -8.6(2) . . . . ? C1 N1 Ag3 N2 167.0(2) . . . . ? C5 N1 Ag3 Ag2 120.7(2) . . . . ? C1 N1 Ag3 Ag2 -63.8(2) . . . . ? C30 N8 Ag3 N1 -15.2(4) . . . . ? C26 N8 Ag3 N1 156.2(2) . . . . ? C30 N8 Ag3 N3 167.8(3) . . . . ? C26 N8 Ag3 N3 -20.7(2) . . . . ? C30 N8 Ag3 N2 -131.3(3) . . . . ? C26 N8 Ag3 N2 40.2(3) . . . . ? C30 N8 Ag3 Ag2 89.5(3) . . . . ? C26 N8 Ag3 Ag2 -99.0(2) . . . . ? C25 N3 Ag3 N1 -147.50(17) . . . . ? C9 N3 Ag3 N1 91.1(2) . . . . ? C8 N3 Ag3 N1 -29.5(2) . . . . ? C25 N3 Ag3 N8 31.06(18) . . . . ? C9 N3 Ag3 N8 -90.3(2) . . . . ? C8 N3 Ag3 N8 149.0(2) . . . . ? C25 N3 Ag3 N2 -94.28(19) . . . . ? C9 N3 Ag3 N2 144.3(2) . . . . ? C8 N3 Ag3 N2 23.71(18) . . . . ? C25 N3 Ag3 Ag2 134.24(18) . . . . ? C9 N3 Ag3 Ag2 12.9(2) . . . . ? C8 N3 Ag3 Ag2 -107.78(18) . . . . ? C6 N2 Ag3 N1 26.17(17) . . . . ? C7 N2 Ag3 N1 141.1(2) . . . . ? C19 N2 Ag3 N1 -92.3(2) . . . . ? C6 N2 Ag3 N8 -173.97(17) . . . . ? C7 N2 Ag3 N8 -59.0(2) . . . . ? C19 N2 Ag3 N8 67.6(2) . . . . ? C6 N2 Ag3 N3 -113.08(18) . . . . ? C7 N2 Ag3 N3 1.88(19) . . . . ? C19 N2 Ag3 N3 128.4(2) . . . . ? C6 N2 Ag3 Ag2 -46.62(19) . . . . ? C7 N2 Ag3 Ag2 68.3(2) . . . . ? C19 N2 Ag3 Ag2 -165.10(16) . . . . ? N4 Ag2 Ag3 N1 179.12(9) . . . . ? N10 Ag2 Ag3 N1 -23.63(10) . . . . ? N6 Ag2 Ag3 N1 49.11(9) . . . . ? N5 Ag2 Ag3 N1 112.15(10) . . . . ? N4 Ag2 Ag3 N8 20.08(10) . . . . ? N10 Ag2 Ag3 N8 177.33(10) . . . . ? N6 Ag2 Ag3 N8 -109.92(9) . . . . ? N5 Ag2 Ag3 N8 -46.89(10) . . . . ? N4 Ag2 Ag3 N3 -51.22(9) . . . . ? N10 Ag2 Ag3 N3 106.03(9) . . . . ? N6 Ag2 Ag3 N3 178.77(8) . . . . ? N5 Ag2 Ag3 N3 -118.19(9) . . . . ? N4 Ag2 Ag3 N2 -113.69(10) . . . . ? N10 Ag2 Ag3 N2 43.56(10) . . . . ? N6 Ag2 Ag3 N2 116.30(9) . . . . ? N5 Ag2 Ag3 N2 179.34(10) . . . . ? _diffrn_measured_fraction_theta_max 0.954 _diffrn_reflns_theta_full 28.34 _diffrn_measured_fraction_theta_full 0.954 _refine_diff_density_max 1.295 _refine_diff_density_min -0.991 _refine_diff_density_rms 0.115