# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2012 data_global #TrackingRef '- p1-3.cif' _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_email dsun@sdu.edu.cn _publ_contact_author_name 'Di Sun' loop_ _publ_author_name 'Yun-Hua Li' 'Di Sun' 'Rong-Bin Huang' 'Lan-Sun Zheng' data_p1 _database_code_depnum_ccdc_archive 'CCDC 846653' #TrackingRef '- p1-3.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C26 H27 Ag2 N13 O6, C2 H6 O, H2 O' _chemical_formula_sum 'C28 H35 Ag2 N13 O8' _chemical_formula_weight 897.43 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 18.281(4) _cell_length_b 15.144(3) _cell_length_c 12.922(3) _cell_angle_alpha 90.00 _cell_angle_beta 107.894(4) _cell_angle_gamma 90.00 _cell_volume 3404.4(11) _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 ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.751 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1808 _exptl_absorpt_coefficient_mu 1.219 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7111 _exptl_absorpt_correction_T_max 0.8878 _exptl_absorpt_process_details sadads _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 ? _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 13867 _diffrn_reflns_av_R_equivalents 0.0434 _diffrn_reflns_av_sigmaI/netI 0.0590 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 2.13 _diffrn_reflns_theta_max 25.00 _reflns_number_total 5966 _reflns_number_gt 4971 _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^)+(0.0519P)^2^+0.7608P] 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 5966 _refine_ls_number_parameters 460 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0545 _refine_ls_R_factor_gt 0.0427 _refine_ls_wR_factor_ref 0.1030 _refine_ls_wR_factor_gt 0.0976 _refine_ls_goodness_of_fit_ref 1.020 _refine_ls_restrained_S_all 1.020 _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 0.645938(19) 0.47697(2) 0.36057(3) 0.02169(12) Uani 1 1 d . . . Ag2 Ag 0.456519(18) -0.17383(2) 0.34944(3) 0.01876(11) Uani 1 1 d . . . C1 C 0.5754(2) 0.6709(3) 0.3964(3) 0.0150(9) Uani 1 1 d . . . C2 C 0.6368(2) 0.8023(3) 0.4076(3) 0.0163(10) Uani 1 1 d . . . C3 C 0.7058(2) 0.6767(3) 0.4510(3) 0.0151(9) Uani 1 1 d . . . C4 C 0.7799(3) 0.5492(3) 0.5439(3) 0.0200(10) Uani 1 1 d . . . H4C H 0.7356 0.5439 0.5724 0.024 Uiso 1 1 calc R . . H4D H 0.8273 0.5478 0.6070 0.024 Uiso 1 1 calc R . . C5 C 0.7802(3) 0.4703(3) 0.4736(4) 0.0230(11) Uani 1 1 d . . . H5C H 0.7782 0.4137 0.5042 0.028 Uiso 1 1 calc R . . C6 C 0.7830(3) 0.4733(3) 0.3717(4) 0.0251(11) Uani 1 1 d . . . H6A H 0.7851 0.5286 0.3381 0.030 Uiso 1 1 calc R . . H6B H 0.7830 0.4200 0.3328 0.030 Uiso 1 1 calc R . . C7 C 0.8472(2) 0.6864(3) 0.5176(4) 0.0243(11) Uani 1 1 d . . . H7A H 0.8638 0.7006 0.5962 0.029 Uiso 1 1 calc R . . H7B H 0.8377 0.7427 0.4767 0.029 Uiso 1 1 calc R . . C8 C 0.9100(3) 0.6369(3) 0.4909(4) 0.0221(10) Uani 1 1 d . . . H8A H 0.9026 0.6224 0.4169 0.027 Uiso 1 1 calc R . . C9 C 0.9740(3) 0.6124(3) 0.5624(4) 0.0311(12) Uani 1 1 d . . . H9A H 0.9833 0.6258 0.6371 0.037 Uiso 1 1 calc R . . H9B H 1.0115 0.5811 0.5397 0.037 Uiso 1 1 calc R . . C10 C 0.2955(2) -0.1678(3) 0.3977(3) 0.0172(10) Uani 1 1 d . . . C11 C 0.2814(2) -0.2394(3) 0.2392(4) 0.0189(10) Uani 1 1 d . . . C12 C 0.1885(2) -0.2473(3) 0.3205(4) 0.0199(10) Uani 1 1 d . . . C13 C 0.0895(3) -0.2517(3) 0.4133(4) 0.0251(11) Uani 1 1 d . . . C14 C 0.0498(3) -0.1643(3) 0.3873(4) 0.0358(13) Uani 1 1 d . . . H14A H 0.0800 -0.1146 0.3815 0.043 Uiso 1 1 calc R . . C15 C -0.0234(4) -0.1517(4) 0.3721(5) 0.0545(17) Uani 1 1 d . . . H15A H -0.0553 -0.2000 0.3773 0.065 Uiso 1 1 calc R . . H15B H -0.0448 -0.0943 0.3559 0.065 Uiso 1 1 calc R . . C16 C 0.0636(3) -0.3194(3) 0.2286(4) 0.0261(11) Uani 1 1 d . . . C17 C 0.0362(3) -0.4061(4) 0.2562(4) 0.0337(13) Uani 1 1 d . . . H17A H 0.0731 -0.4510 0.2851 0.040 Uiso 1 1 calc R . . C18 C -0.0358(3) -0.4237(4) 0.2428(4) 0.0349(13) Uani 1 1 d . . . H18A H -0.0739 -0.3801 0.2141 0.042 Uiso 1 1 calc R . . H18B H -0.0502 -0.4803 0.2618 0.042 Uiso 1 1 calc R . . C19 C 0.4573(2) 0.2885(3) 0.3708(3) 0.0154(9) Uani 1 1 d . . . C20 C 0.4855(2) 0.2035(3) 0.3802(3) 0.0146(9) Uani 1 1 d . . . H20A H 0.5394 0.1943 0.3998 0.018 Uiso 1 1 calc R . . C21 C 0.4365(2) 0.1311(3) 0.3616(3) 0.0144(9) Uani 1 1 d . . . C22 C 0.3580(2) 0.1449(3) 0.3332(3) 0.0155(9) Uani 1 1 d . . . H22A H 0.3235 0.0964 0.3207 0.019 Uiso 1 1 calc R . . C23 C 0.3310(2) 0.2301(3) 0.3233(3) 0.0156(9) Uani 1 1 d . . . C24 C 0.3788(2) 0.3032(3) 0.3418(3) 0.0153(9) Uani 1 1 d . . . H24A H 0.3584 0.3614 0.3348 0.018 Uiso 1 1 calc R . . C25 C 0.5097(2) 0.3688(3) 0.3849(3) 0.0155(9) Uani 1 1 d . . . C26 C 0.4677(2) 0.0378(3) 0.3655(3) 0.0169(10) Uani 1 1 d . . . C27 C 0.8374(3) 0.9647(4) 0.4835(5) 0.0438(15) Uani 1 1 d . . . H27A H 0.8931 0.9564 0.5025 0.066 Uiso 1 1 calc R . . H27B H 0.8118 0.9071 0.4692 0.066 Uiso 1 1 calc R . . H27C H 0.8250 0.9935 0.5439 0.066 Uiso 1 1 calc R . . C28 C 0.8100(3) 1.0216(4) 0.3831(4) 0.0386(14) Uani 1 1 d . . . H28A H 0.8358 1.0798 0.3966 0.046 Uiso 1 1 calc R . . H28B H 0.8225 0.9931 0.3217 0.046 Uiso 1 1 calc R . . N1 N 0.64237(19) 0.6253(2) 0.4278(3) 0.0155(8) Uani 1 1 d . . . N2 N 0.56880(19) 0.7594(2) 0.3887(3) 0.0137(8) Uani 1 1 d . . . N3 N 0.70660(19) 0.7639(2) 0.4380(3) 0.0153(8) Uani 1 1 d . . . N4 N 0.51105(19) 0.6244(2) 0.3704(3) 0.0170(8) Uani 1 1 d . . . H4A H 0.4663 0.6514 0.3492 0.020 Uiso 1 1 calc R . . H4B H 0.5130 0.5663 0.3744 0.020 Uiso 1 1 calc R . . N5 N 0.6349(2) 0.8895(2) 0.3943(3) 0.0197(8) Uani 1 1 d . . . H5A H 0.6779 0.9193 0.4054 0.024 Uiso 1 1 calc R . . H5B H 0.5905 0.9174 0.3744 0.024 Uiso 1 1 calc R . . N6 N 0.77554(19) 0.6346(2) 0.4901(3) 0.0181(8) Uani 1 1 d . . . N7 N 0.3292(2) -0.1931(2) 0.3225(3) 0.0178(8) Uani 1 1 d . . . N8 N 0.2107(2) -0.2678(3) 0.2338(3) 0.0204(8) Uani 1 1 d . . . N9 N 0.2276(2) -0.1951(2) 0.4032(3) 0.0190(8) Uani 1 1 d . . . N10 N 0.3335(2) -0.1107(3) 0.4741(3) 0.0230(9) Uani 1 1 d . . . H10A H 0.3134 -0.0933 0.5244 0.028 Uiso 1 1 calc R . . H10B H 0.3787 -0.0906 0.4742 0.028 Uiso 1 1 calc R . . N11 N 0.3060(2) -0.2573(3) 0.1542(3) 0.0250(9) Uani 1 1 d . . . H11A H 0.2763 -0.2865 0.0981 0.030 Uiso 1 1 calc R . . H11B H 0.3520 -0.2399 0.1544 0.030 Uiso 1 1 calc R . . N12 N 0.1199(2) -0.2797(3) 0.3248(3) 0.0240(9) Uani 1 1 d . . . N13 N 0.2473(2) 0.2447(3) 0.2871(3) 0.0211(9) Uani 1 1 d . . . O1 O 0.58103(17) 0.3538(2) 0.4023(3) 0.0224(7) Uani 1 1 d . . . O1W O 0.35395(18) 0.5575(2) 0.3693(3) 0.0323(8) Uani 1 1 d . . . H1WA H 0.3894 0.5220 0.3669 0.039 Uiso 1 1 d R . . H1WB H 0.3682 0.5840 0.4302 0.039 Uiso 1 1 d R . . O2 O 0.48074(18) 0.4432(2) 0.3794(3) 0.0238(7) Uani 1 1 d . . . O3 O 0.53633(18) 0.0247(2) 0.4086(3) 0.0281(8) Uani 1 1 d . . . O4 O 0.41875(17) -0.02280(19) 0.3232(2) 0.0205(7) Uani 1 1 d . . . O5 O 0.20502(19) 0.1805(2) 0.2707(3) 0.0368(9) Uani 1 1 d . . . O6 O 0.22351(18) 0.3212(2) 0.2732(3) 0.0305(8) Uani 1 1 d . . . O7 O 0.72943(18) 1.0325(2) 0.3571(3) 0.0254(8) Uani 1 1 d . . . H7D H 0.7102 1.0392 0.2896 0.038 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 0.0227(2) 0.0161(2) 0.0234(2) 0.00037(14) 0.00284(15) -0.00358(15) Ag2 0.01660(19) 0.0159(2) 0.0243(2) 0.00135(14) 0.00713(14) 0.00252(14) C1 0.021(2) 0.012(2) 0.013(2) 0.0012(17) 0.0071(17) 0.0000(19) C2 0.022(2) 0.018(3) 0.011(2) -0.0034(17) 0.0066(17) 0.000(2) C3 0.018(2) 0.018(3) 0.010(2) -0.0010(17) 0.0058(17) 0.0006(19) C4 0.020(2) 0.016(3) 0.021(2) 0.0035(19) 0.0010(19) 0.002(2) C5 0.021(2) 0.012(3) 0.032(3) 0.003(2) 0.002(2) 0.000(2) C6 0.023(3) 0.016(3) 0.035(3) -0.006(2) 0.006(2) -0.001(2) C7 0.019(2) 0.020(3) 0.033(3) -0.004(2) 0.007(2) -0.004(2) C8 0.023(3) 0.020(3) 0.025(2) -0.003(2) 0.011(2) -0.004(2) C9 0.024(3) 0.028(3) 0.041(3) 0.000(2) 0.009(2) 0.003(2) C10 0.021(2) 0.011(2) 0.021(2) 0.0038(18) 0.0081(18) -0.0004(19) C11 0.020(2) 0.013(2) 0.027(2) 0.0011(19) 0.0115(19) 0.001(2) C12 0.020(2) 0.015(2) 0.027(2) 0.0027(19) 0.009(2) 0.000(2) C13 0.026(3) 0.028(3) 0.028(3) 0.000(2) 0.018(2) 0.001(2) C14 0.044(3) 0.029(3) 0.045(3) -0.007(2) 0.028(3) -0.007(3) C15 0.050(4) 0.052(4) 0.071(4) 0.019(3) 0.033(3) 0.016(3) C16 0.022(2) 0.029(3) 0.027(3) -0.009(2) 0.007(2) -0.013(2) C17 0.026(3) 0.024(3) 0.045(3) -0.003(2) 0.003(2) 0.004(2) C18 0.039(3) 0.027(3) 0.041(3) -0.008(2) 0.015(2) -0.017(3) C19 0.021(2) 0.013(2) 0.013(2) 0.0014(17) 0.0072(18) 0.0003(19) C20 0.017(2) 0.015(2) 0.013(2) 0.0012(17) 0.0056(17) 0.0016(19) C21 0.019(2) 0.012(2) 0.013(2) -0.0014(17) 0.0059(17) -0.0006(19) C22 0.023(2) 0.009(2) 0.016(2) -0.0033(17) 0.0080(18) -0.0038(19) C23 0.016(2) 0.019(3) 0.014(2) -0.0022(18) 0.0086(17) -0.0013(19) C24 0.023(2) 0.012(2) 0.013(2) 0.0010(17) 0.0071(17) 0.0029(19) C25 0.020(2) 0.012(2) 0.016(2) 0.0010(18) 0.0065(17) 0.000(2) C26 0.020(2) 0.013(2) 0.016(2) -0.0002(17) 0.0027(18) -0.0056(19) C27 0.042(3) 0.033(3) 0.052(4) 0.007(3) 0.008(3) -0.001(3) C28 0.033(3) 0.041(4) 0.045(3) 0.004(3) 0.018(3) -0.002(3) N1 0.0158(19) 0.012(2) 0.0185(18) 0.0011(15) 0.0056(15) -0.0012(16) N2 0.0158(18) 0.010(2) 0.0160(18) 0.0016(14) 0.0058(14) 0.0000(15) N3 0.0151(19) 0.0077(19) 0.0230(19) -0.0018(15) 0.0060(15) -0.0001(15) N4 0.0152(19) 0.009(2) 0.027(2) -0.0014(16) 0.0064(15) -0.0006(16) N5 0.0160(19) 0.011(2) 0.032(2) 0.0005(16) 0.0070(16) -0.0027(16) N6 0.0138(19) 0.012(2) 0.027(2) -0.0016(16) 0.0040(15) 0.0005(16) N7 0.0173(19) 0.015(2) 0.0203(19) -0.0014(15) 0.0048(15) -0.0009(16) N8 0.019(2) 0.022(2) 0.022(2) -0.0031(16) 0.0098(16) -0.0041(17) N9 0.018(2) 0.020(2) 0.021(2) -0.0049(16) 0.0096(16) -0.0050(17) N10 0.021(2) 0.029(2) 0.022(2) -0.0086(17) 0.0109(16) -0.0092(18) N11 0.026(2) 0.029(2) 0.024(2) -0.0134(18) 0.0141(17) -0.0132(19) N12 0.022(2) 0.028(2) 0.025(2) -0.0083(17) 0.0119(17) -0.0066(18) N13 0.020(2) 0.022(2) 0.022(2) -0.0077(17) 0.0070(16) 0.0008(19) O1 0.0166(16) 0.0136(17) 0.0393(19) -0.0019(14) 0.0119(14) -0.0020(14) O1W 0.0241(18) 0.040(2) 0.0314(19) 0.0003(16) 0.0068(15) 0.0015(17) O2 0.0257(17) 0.0075(17) 0.0392(19) 0.0016(14) 0.0114(15) 0.0005(14) O3 0.0202(18) 0.0139(18) 0.044(2) -0.0073(15) 0.0006(15) 0.0011(14) O4 0.0255(17) 0.0109(17) 0.0220(16) -0.0018(13) 0.0026(14) -0.0030(14) O5 0.0177(17) 0.029(2) 0.061(2) -0.0127(18) 0.0085(17) -0.0095(17) O6 0.0242(18) 0.021(2) 0.045(2) -0.0037(16) 0.0086(16) 0.0088(16) O7 0.0261(18) 0.024(2) 0.0278(18) 0.0019(14) 0.0104(14) 0.0011(15) _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 O4 2.305(3) 2_655 ? Ag1 O1 2.360(3) . ? Ag1 N1 2.417(4) . ? Ag1 C5 2.442(4) . ? Ag1 C6 2.467(5) . ? Ag2 N2 2.203(3) 1_545 ? Ag2 N7 2.265(4) . ? Ag2 O4 2.383(3) . ? C1 N4 1.323(5) . ? C1 N2 1.347(5) . ? C1 N1 1.354(5) . ? C2 N5 1.331(5) . ? C2 N3 1.346(5) . ? C2 N2 1.357(5) . ? C3 N3 1.331(5) . ? C3 N1 1.352(5) . ? C3 N6 1.375(5) . ? C4 N6 1.460(5) . ? C4 C5 1.502(6) . ? C4 H4C 0.9900 . ? C4 H4D 0.9900 . ? C5 C6 1.334(7) . ? C5 H5C 0.9500 . ? C6 H6A 0.9500 . ? C6 H6B 0.9500 . ? C7 N6 1.474(5) . ? C7 C8 1.495(6) . ? C7 H7A 0.9900 . ? C7 H7B 0.9900 . ? C8 C9 1.303(6) . ? C8 H8A 0.9500 . ? C9 H9A 0.9500 . ? C9 H9B 0.9500 . ? C10 N9 1.331(6) . ? C10 N10 1.335(5) . ? C10 N7 1.356(5) . ? C11 N11 1.337(5) . ? C11 N8 1.343(5) . ? C11 N7 1.354(5) . ? C12 N8 1.340(6) . ? C12 N9 1.345(5) . ? C12 N12 1.362(6) . ? C13 N12 1.479(6) . ? C13 C14 1.497(7) . ? C14 C15 1.306(8) . ? C14 H14A 0.9500 . ? C15 H15A 0.9500 . ? C15 H15B 0.9500 . ? C16 N12 1.476(5) . ? C16 C17 1.488(7) . ? C17 C18 1.301(7) . ? C17 H17A 0.9500 . ? C18 H18A 0.9500 . ? C18 H18B 0.9500 . ? C19 C20 1.379(6) . ? C19 C24 1.385(6) . ? C19 C25 1.524(6) . ? C20 C21 1.390(6) . ? C20 H20A 0.9500 . ? C21 C22 1.382(6) . ? C21 C26 1.519(6) . ? C22 C23 1.373(6) . ? C22 H22A 0.9500 . ? C23 C24 1.385(6) . ? C23 N13 1.472(5) . ? C24 H24A 0.9500 . ? C25 O2 1.238(5) . ? C25 O1 1.273(5) . ? C26 O3 1.223(5) . ? C26 O4 1.281(5) . ? C27 C28 1.510(7) . ? C27 H27A 0.9800 . ? C27 H27B 0.9800 . ? C27 H27C 0.9800 . ? C28 O7 1.415(6) . ? C28 H28A 0.9900 . ? C28 H28B 0.9900 . ? N2 Ag2 2.203(3) 1_565 ? N4 H4A 0.8800 . ? N4 H4B 0.8800 . ? N5 H5A 0.8800 . ? N5 H5B 0.8800 . ? N10 H10A 0.8800 . ? N10 H10B 0.8800 . ? N11 H11A 0.8800 . ? N11 H11B 0.8800 . ? N13 O5 1.219(5) . ? N13 O6 1.231(5) . ? O1W H1WA 0.8501 . ? O1W H1WB 0.8500 . ? O4 Ag1 2.305(3) 2_645 ? O7 H7D 0.8400 . ? 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 O4 Ag1 O1 95.84(11) 2_655 . ? O4 Ag1 N1 107.89(11) 2_655 . ? O1 Ag1 N1 125.55(11) . . ? O4 Ag1 C5 136.01(14) 2_655 . ? O1 Ag1 C5 108.31(13) . . ? N1 Ag1 C5 87.51(13) . . ? O4 Ag1 C6 104.51(14) 2_655 . ? O1 Ag1 C6 122.81(14) . . ? N1 Ag1 C6 98.02(14) . . ? C5 Ag1 C6 31.54(15) . . ? N2 Ag2 N7 144.80(13) 1_545 . ? N2 Ag2 O4 133.01(12) 1_545 . ? N7 Ag2 O4 82.12(12) . . ? N4 C1 N2 117.3(4) . . ? N4 C1 N1 117.1(4) . . ? N2 C1 N1 125.6(4) . . ? N5 C2 N3 116.8(4) . . ? N5 C2 N2 117.7(4) . . ? N3 C2 N2 125.5(4) . . ? N3 C3 N1 125.8(4) . . ? N3 C3 N6 117.5(4) . . ? N1 C3 N6 116.7(4) . . ? N6 C4 C5 115.3(4) . . ? N6 C4 H4C 108.5 . . ? C5 C4 H4C 108.5 . . ? N6 C4 H4D 108.5 . . ? C5 C4 H4D 108.5 . . ? H4C C4 H4D 107.5 . . ? C6 C5 C4 125.4(4) . . ? C6 C5 Ag1 75.2(3) . . ? C4 C5 Ag1 98.0(3) . . ? C6 C5 H5C 117.3 . . ? C4 C5 H5C 117.3 . . ? Ag1 C5 H5C 97.2 . . ? C5 C6 Ag1 73.2(3) . . ? C5 C6 H6A 120.0 . . ? Ag1 C6 H6A 97.8 . . ? C5 C6 H6B 120.0 . . ? Ag1 C6 H6B 98.8 . . ? H6A C6 H6B 120.0 . . ? N6 C7 C8 111.5(4) . . ? N6 C7 H7A 109.3 . . ? C8 C7 H7A 109.3 . . ? N6 C7 H7B 109.3 . . ? C8 C7 H7B 109.3 . . ? H7A C7 H7B 108.0 . . ? C9 C8 C7 124.5(4) . . ? C9 C8 H8A 117.8 . . ? C7 C8 H8A 117.8 . . ? C8 C9 H9A 120.0 . . ? C8 C9 H9B 120.0 . . ? H9A C9 H9B 120.0 . . ? N9 C10 N10 116.4(4) . . ? N9 C10 N7 125.9(4) . . ? N10 C10 N7 117.7(4) . . ? N11 C11 N8 117.0(4) . . ? N11 C11 N7 117.3(4) . . ? N8 C11 N7 125.7(4) . . ? N8 C12 N9 125.2(4) . . ? N8 C12 N12 118.0(4) . . ? N9 C12 N12 116.8(4) . . ? N12 C13 C14 110.6(4) . . ? C15 C14 C13 124.5(5) . . ? C15 C14 H14A 117.7 . . ? C13 C14 H14A 117.7 . . ? C14 C15 H15A 120.0 . . ? C14 C15 H15B 120.0 . . ? H15A C15 H15B 120.0 . . ? N12 C16 C17 111.0(4) . . ? C18 C17 C16 123.4(5) . . ? C18 C17 H17A 118.3 . . ? C16 C17 H17A 118.3 . . ? C17 C18 H18A 120.0 . . ? C17 C18 H18B 120.0 . . ? H18A C18 H18B 120.0 . . ? C20 C19 C24 120.1(4) . . ? C20 C19 C25 122.0(4) . . ? C24 C19 C25 117.8(4) . . ? C19 C20 C21 121.2(4) . . ? C19 C20 H20A 119.4 . . ? C21 C20 H20A 119.4 . . ? C22 C21 C20 119.2(4) . . ? C22 C21 C26 119.9(4) . . ? C20 C21 C26 120.8(4) . . ? C23 C22 C21 118.8(4) . . ? C23 C22 H22A 120.6 . . ? C21 C22 H22A 120.6 . . ? C22 C23 C24 123.0(4) . . ? C22 C23 N13 118.7(4) . . ? C24 C23 N13 118.3(4) . . ? C19 C24 C23 117.7(4) . . ? C19 C24 H24A 121.1 . . ? C23 C24 H24A 121.1 . . ? O2 C25 O1 124.7(4) . . ? O2 C25 C19 118.4(4) . . ? O1 C25 C19 116.8(4) . . ? O3 C26 O4 124.2(4) . . ? O3 C26 C21 119.3(4) . . ? O4 C26 C21 116.5(4) . . ? C28 C27 H27A 109.5 . . ? C28 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? C28 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? O7 C28 C27 108.5(4) . . ? O7 C28 H28A 110.0 . . ? C27 C28 H28A 110.0 . . ? O7 C28 H28B 110.0 . . ? C27 C28 H28B 110.0 . . ? H28A C28 H28B 108.4 . . ? C3 N1 C1 114.0(4) . . ? C3 N1 Ag1 119.9(3) . . ? C1 N1 Ag1 119.2(3) . . ? C1 N2 C2 114.0(4) . . ? C1 N2 Ag2 122.0(3) . 1_565 ? C2 N2 Ag2 124.0(3) . 1_565 ? C3 N3 C2 114.8(4) . . ? C1 N4 H4A 120.0 . . ? C1 N4 H4B 120.0 . . ? H4A N4 H4B 120.0 . . ? C2 N5 H5A 120.0 . . ? C2 N5 H5B 120.0 . . ? H5A N5 H5B 120.0 . . ? C3 N6 C4 119.7(4) . . ? C3 N6 C7 119.8(4) . . ? C4 N6 C7 116.2(3) . . ? C11 N7 C10 113.1(4) . . ? C11 N7 Ag2 124.8(3) . . ? C10 N7 Ag2 121.6(3) . . ? C12 N8 C11 114.6(4) . . ? C10 N9 C12 114.7(4) . . ? C10 N10 H10A 120.0 . . ? C10 N10 H10B 120.0 . . ? H10A N10 H10B 120.0 . . ? C11 N11 H11A 120.0 . . ? C11 N11 H11B 120.0 . . ? H11A N11 H11B 120.0 . . ? C12 N12 C16 121.6(4) . . ? C12 N12 C13 119.9(4) . . ? C16 N12 C13 115.9(4) . . ? O5 N13 O6 123.2(4) . . ? O5 N13 C23 118.5(4) . . ? O6 N13 C23 118.3(4) . . ? C25 O1 Ag1 112.2(3) . . ? H1WA O1W H1WB 108.2 . . ? C26 O4 Ag1 120.7(3) . 2_645 ? C26 O4 Ag2 119.6(3) . . ? Ag1 O4 Ag2 100.35(11) 2_645 . ? C28 O7 H7D 109.5 . . ? 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 N4 H4A O1W 0.88 2.58 3.041(5) 113.9 . N4 H4B O2 0.88 1.96 2.808(5) 160.6 . N5 H5A O7 0.88 2.14 2.902(5) 144.6 . N5 H5B O3 0.88 2.02 2.770(5) 142.3 1_565 N10 H10A O7 0.88 2.13 3.005(5) 171.8 3_666 N10 H10B O3 0.88 2.06 2.728(5) 131.5 3_656 N11 H11A N9 0.88 2.42 3.201(5) 148.6 4 N11 H11B O1 0.88 2.15 2.925(5) 147.4 2_645 O1W H1WA O2 0.85 2.02 2.863(5) 173.1 . O1W H1WB O1 0.85 2.28 3.126(5) 173.4 3_666 O7 H7D O1W 0.84 2.05 2.878(4) 170.3 2_655 _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 0.933 _refine_diff_density_min -0.625 _refine_diff_density_rms 0.121 data_p2 _database_code_depnum_ccdc_archive 'CCDC 846654' #TrackingRef '- p1-3.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C14 H20 Ag2 N6 O4 ' _chemical_formula_sum 'C14 H20 Ag2 N6 O4' _chemical_formula_weight 552.10 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' 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' O O 0.0106 0.0060 '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 8.1924(19) _cell_length_b 10.620(3) _cell_length_c 11.231(3) _cell_angle_alpha 111.691(4) _cell_angle_beta 100.021(4) _cell_angle_gamma 102.290(4) _cell_volume 852.1(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 ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.152 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 544 _exptl_absorpt_coefficient_mu 2.333 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7513 _exptl_absorpt_correction_T_max 0.8002 _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 ? _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 4393 _diffrn_reflns_av_R_equivalents 0.0193 _diffrn_reflns_av_sigmaI/netI 0.0366 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 2.03 _diffrn_reflns_theta_max 25.00 _reflns_number_total 2938 _reflns_number_gt 2754 _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^)+(0.0389P)^2^+0.3949P] 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 2938 _refine_ls_number_parameters 235 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0298 _refine_ls_R_factor_gt 0.0278 _refine_ls_wR_factor_ref 0.0721 _refine_ls_wR_factor_gt 0.0706 _refine_ls_goodness_of_fit_ref 1.043 _refine_ls_restrained_S_all 1.043 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.43810(3) 0.15602(3) 0.35642(2) 0.02012(10) Uani 1 1 d . . . Ag2 Ag 0.11257(3) 0.14623(3) 0.17282(3) 0.02296(10) Uani 1 1 d . . . C1 C 0.8351(4) 0.1452(3) 0.3302(3) 0.0164(7) Uani 1 1 d . . . C2 C 1.0744(4) 0.3380(3) 0.4501(3) 0.0159(7) Uani 1 1 d . . . C3 C 0.8577(5) 0.2937(3) 0.5410(3) 0.0166(7) Uani 1 1 d . . . C4 C 0.6365(5) 0.2327(4) 0.6484(3) 0.0191(8) Uani 1 1 d . . . H4C H 0.6427 0.2473 0.7416 0.023 Uiso 1 1 calc R . . H4D H 0.6319 0.1328 0.5976 0.023 Uiso 1 1 calc R . . C5 C 0.4726(5) 0.2545(4) 0.5908(3) 0.0183(7) Uani 1 1 d . . . H5C H 0.4760 0.3445 0.5910 0.022 Uiso 1 1 calc R . . C6 C 0.3205(5) 0.1509(4) 0.5388(3) 0.0228(8) Uani 1 1 d . . . H6A H 0.3150 0.0603 0.5379 0.027 Uiso 1 1 calc R . . H6B H 0.2180 0.1680 0.5028 0.027 Uiso 1 1 calc R . . C7 C 0.9073(5) 0.4334(4) 0.7765(4) 0.0251(8) Uani 1 1 d . . . H7A H 0.8348 0.4779 0.8307 0.030 Uiso 1 1 calc R . . H7B H 0.9861 0.5084 0.7629 0.030 Uiso 1 1 calc R . . C8 C 1.0135(5) 0.3738(5) 0.8509(4) 0.0325(10) Uani 1 1 d . . . H8A H 1.0840 0.4383 0.9383 0.039 Uiso 1 1 calc R . . C9 C 1.0211(6) 0.2432(5) 0.8101(5) 0.0428(12) Uani 1 1 d . . . H9A H 0.9535 0.1739 0.7237 0.051 Uiso 1 1 calc R . . H9B H 1.0941 0.2178 0.8670 0.051 Uiso 1 1 calc R . . C10 C 0.2849(5) -0.0940(4) 0.0600(3) 0.0185(8) Uani 1 1 d . . . C11 C 0.3146(5) -0.2122(4) -0.0515(4) 0.0251(8) Uani 1 1 d . . . H11A H 0.3908 -0.1684 -0.0940 0.030 Uiso 1 1 calc R . . H11B H 0.2012 -0.2682 -0.1194 0.030 Uiso 1 1 calc R . . C12 C 0.3936(5) -0.3146(4) -0.0163(3) 0.0211(8) Uani 1 1 d . . . H12A H 0.3168 -0.3634 0.0227 0.025 Uiso 1 1 calc R . . H12B H 0.5076 -0.2612 0.0515 0.025 Uiso 1 1 calc R . . C13 C 0.4182(5) -0.4246(4) -0.1390(4) 0.0204(8) Uani 1 1 d . . . H13A H 0.4598 -0.4956 -0.1155 0.024 Uiso 1 1 calc R . . H13B H 0.3055 -0.4748 -0.2086 0.024 Uiso 1 1 calc R . . C14 C 0.5490(5) -0.3532(4) -0.1925(4) 0.0226(8) Uani 1 1 d . . . N1 N 0.9929(4) 0.2193(3) 0.3352(3) 0.0165(6) Uani 1 1 d . . . N2 N 1.0148(4) 0.3752(3) 0.5563(3) 0.0169(6) Uani 1 1 d . . . N3 N 0.7565(4) 0.1806(3) 0.4270(3) 0.0161(6) Uani 1 1 d . . . N4 N 0.7508(4) 0.0251(3) 0.2212(3) 0.0197(7) Uani 1 1 d . . . H4A H 0.6480 -0.0269 0.2156 0.024 Uiso 1 1 calc R . . H4B H 0.7979 -0.0023 0.1550 0.024 Uiso 1 1 calc R . . N5 N 1.2282(4) 0.4189(3) 0.4597(3) 0.0182(6) Uani 1 1 d . . . H5A H 1.2864 0.4941 0.5346 0.022 Uiso 1 1 calc R . . H5B H 1.2719 0.3974 0.3911 0.022 Uiso 1 1 calc R . . N6 N 0.7954(4) 0.3260(3) 0.6480(3) 0.0176(6) Uani 1 1 d . . . O1 O 0.3831(3) -0.0494(2) 0.1752(2) 0.0196(5) Uani 1 1 d . . . O2 O 0.1680(3) -0.0433(3) 0.0288(2) 0.0273(6) Uani 1 1 d . . . O3 O 0.6986(4) -0.2923(4) -0.1168(3) 0.0507(9) Uani 1 1 d . . . O4 O 0.4989(4) -0.3553(3) -0.3048(2) 0.0321(7) 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 0.02118(17) 0.02152(16) 0.01487(16) 0.00500(12) 0.00550(12) 0.00554(12) Ag2 0.01705(17) 0.02994(17) 0.01575(16) 0.00169(12) 0.00791(12) 0.00697(12) C1 0.0195(18) 0.0172(16) 0.0144(17) 0.0069(14) 0.0041(14) 0.0092(14) C2 0.0179(18) 0.0177(16) 0.0159(17) 0.0092(14) 0.0057(14) 0.0086(14) C3 0.0219(19) 0.0169(16) 0.0145(17) 0.0089(14) 0.0060(14) 0.0078(14) C4 0.023(2) 0.0248(18) 0.0126(17) 0.0100(15) 0.0093(15) 0.0067(15) C5 0.0241(19) 0.0214(17) 0.0132(17) 0.0071(14) 0.0097(14) 0.0109(15) C6 0.027(2) 0.0272(19) 0.0187(18) 0.0117(16) 0.0102(16) 0.0097(16) C7 0.025(2) 0.0255(19) 0.0161(18) 0.0018(15) 0.0085(16) 0.0016(16) C8 0.021(2) 0.052(3) 0.0172(19) 0.0146(19) 0.0051(16) -0.0015(19) C9 0.030(2) 0.054(3) 0.053(3) 0.035(3) 0.006(2) 0.013(2) C10 0.0184(19) 0.0190(17) 0.0170(18) 0.0047(14) 0.0093(15) 0.0050(14) C11 0.030(2) 0.0272(19) 0.0160(18) 0.0035(16) 0.0068(16) 0.0154(17) C12 0.029(2) 0.0189(17) 0.0141(17) 0.0043(14) 0.0103(15) 0.0074(15) C13 0.024(2) 0.0176(17) 0.0216(19) 0.0073(15) 0.0114(15) 0.0086(15) C14 0.029(2) 0.0157(17) 0.025(2) 0.0053(15) 0.0141(17) 0.0106(15) N1 0.0137(15) 0.0205(14) 0.0144(14) 0.0046(12) 0.0067(12) 0.0063(12) N2 0.0158(15) 0.0197(14) 0.0128(14) 0.0039(12) 0.0051(12) 0.0052(12) N3 0.0155(15) 0.0187(14) 0.0129(14) 0.0045(12) 0.0051(12) 0.0058(12) N4 0.0190(16) 0.0204(15) 0.0140(15) 0.0008(12) 0.0073(12) 0.0042(12) N5 0.0171(15) 0.0210(15) 0.0148(15) 0.0052(12) 0.0068(12) 0.0047(12) N6 0.0183(16) 0.0212(14) 0.0123(14) 0.0061(12) 0.0063(12) 0.0042(12) O1 0.0185(13) 0.0200(12) 0.0139(13) 0.0020(10) 0.0028(10) 0.0042(10) O2 0.0311(15) 0.0326(14) 0.0146(13) 0.0014(11) 0.0056(11) 0.0191(12) O3 0.0211(16) 0.078(2) 0.061(2) 0.048(2) 0.0059(16) 0.0010(16) O4 0.0426(17) 0.0263(14) 0.0161(14) 0.0073(11) 0.0043(12) -0.0054(12) _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 O1 2.255(2) . ? Ag1 O4 2.373(3) 2_655 ? Ag1 C5 2.384(3) . ? Ag1 C6 2.424(4) . ? Ag1 N3 2.517(3) . ? Ag1 Ag2 3.0306(7) . ? Ag2 N1 2.188(3) 1_455 ? Ag2 O2 2.260(3) . ? Ag2 O3 2.288(3) 2_655 ? Ag2 O2 2.626(3) 2 ? C1 N4 1.333(4) . ? C1 N3 1.335(5) . ? C1 N1 1.343(4) . ? C2 N2 1.324(4) . ? C2 N5 1.327(4) . ? C2 N1 1.356(4) . ? C3 N2 1.332(4) . ? C3 N6 1.343(4) . ? C3 N3 1.356(4) . ? C4 N6 1.460(4) . ? C4 C5 1.489(5) . ? C4 H4C 0.9900 . ? C4 H4D 0.9900 . ? C5 C6 1.339(5) . ? C5 H5C 0.9500 . ? C6 H6A 0.9500 . ? C6 H6B 0.9500 . ? C7 N6 1.450(4) . ? C7 C8 1.493(6) . ? C7 H7A 0.9900 . ? C7 H7B 0.9900 . ? C8 C9 1.309(7) . ? C8 H8A 0.9500 . ? C9 H9A 0.9500 . ? C9 H9B 0.9500 . ? C10 O1 1.253(4) . ? C10 O2 1.254(4) . ? C10 C11 1.509(5) . ? C11 C12 1.513(5) . ? C11 H11A 0.9900 . ? C11 H11B 0.9900 . ? C12 C13 1.520(5) . ? C12 H12A 0.9900 . ? C12 H12B 0.9900 . ? C13 C14 1.516(5) . ? C13 H13A 0.9900 . ? C13 H13B 0.9900 . ? C14 O3 1.240(5) . ? C14 O4 1.246(5) . ? N1 Ag2 2.188(3) 1_655 ? N4 H4A 0.8800 . ? N4 H4B 0.8800 . ? N5 H5A 0.8800 . ? N5 H5B 0.8800 . ? O2 Ag2 2.626(3) 2 ? O3 Ag2 2.288(3) 2_655 ? O4 Ag1 2.373(3) 2_655 ? 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 O1 Ag1 O4 111.55(9) . 2_655 ? O1 Ag1 C5 143.45(11) . . ? O4 Ag1 C5 104.89(11) 2_655 . ? O1 Ag1 C6 118.87(11) . . ? O4 Ag1 C6 124.48(11) 2_655 . ? C5 Ag1 C6 32.32(12) . . ? O1 Ag1 N3 93.03(9) . . ? O4 Ag1 N3 91.31(10) 2_655 . ? C5 Ag1 N3 83.24(11) . . ? C6 Ag1 N3 107.15(11) . . ? O1 Ag1 Ag2 77.07(6) . . ? O4 Ag1 Ag2 71.18(7) 2_655 . ? C5 Ag1 Ag2 118.70(9) . . ? C6 Ag1 Ag2 98.28(9) . . ? N3 Ag1 Ag2 154.37(6) . . ? N1 Ag2 O2 144.97(10) 1_455 . ? N1 Ag2 O3 124.78(13) 1_455 2_655 ? O2 Ag2 O3 89.39(13) . 2_655 ? N1 Ag2 O2 98.45(10) 1_455 2 ? O2 Ag2 O2 78.97(10) . 2 ? O3 Ag2 O2 102.55(10) 2_655 2 ? N1 Ag2 Ag1 93.01(8) 1_455 . ? O2 Ag2 Ag1 81.76(7) . . ? O3 Ag2 Ag1 84.60(8) 2_655 . ? O2 Ag2 Ag1 159.32(6) 2 . ? N4 C1 N3 117.0(3) . . ? N4 C1 N1 117.8(3) . . ? N3 C1 N1 125.2(3) . . ? N2 C2 N5 117.5(3) . . ? N2 C2 N1 124.4(3) . . ? N5 C2 N1 118.1(3) . . ? N2 C3 N6 117.0(3) . . ? N2 C3 N3 125.5(3) . . ? N6 C3 N3 117.5(3) . . ? N6 C4 C5 114.9(3) . . ? N6 C4 H4C 108.5 . . ? C5 C4 H4C 108.5 . . ? N6 C4 H4D 108.5 . . ? C5 C4 H4D 108.5 . . ? H4C C4 H4D 107.5 . . ? C6 C5 C4 122.0(3) . . ? C6 C5 Ag1 75.5(2) . . ? C4 C5 Ag1 104.4(2) . . ? C6 C5 H5C 119.0 . . ? C4 C5 H5C 119.0 . . ? Ag1 C5 H5C 90.1 . . ? C5 C6 Ag1 72.2(2) . . ? C5 C6 H6A 120.0 . . ? Ag1 C6 H6A 105.6 . . ? C5 C6 H6B 120.0 . . ? Ag1 C6 H6B 92.1 . . ? H6A C6 H6B 120.0 . . ? N6 C7 C8 112.5(3) . . ? N6 C7 H7A 109.1 . . ? C8 C7 H7A 109.1 . . ? N6 C7 H7B 109.1 . . ? C8 C7 H7B 109.1 . . ? H7A C7 H7B 107.8 . . ? C9 C8 C7 127.7(4) . . ? C9 C8 H8A 116.1 . . ? C7 C8 H8A 116.1 . . ? C8 C9 H9A 120.0 . . ? C8 C9 H9B 120.0 . . ? H9A C9 H9B 120.0 . . ? O1 C10 O2 124.8(3) . . ? O1 C10 C11 118.0(3) . . ? O2 C10 C11 117.1(3) . . ? C10 C11 C12 117.7(3) . . ? C10 C11 H11A 107.9 . . ? C12 C11 H11A 107.9 . . ? C10 C11 H11B 107.9 . . ? C12 C11 H11B 107.9 . . ? H11A C11 H11B 107.2 . . ? C11 C12 C13 110.9(3) . . ? C11 C12 H12A 109.5 . . ? C13 C12 H12A 109.5 . . ? C11 C12 H12B 109.5 . . ? C13 C12 H12B 109.5 . . ? H12A C12 H12B 108.0 . . ? C14 C13 C12 110.3(3) . . ? C14 C13 H13A 109.6 . . ? C12 C13 H13A 109.6 . . ? C14 C13 H13B 109.6 . . ? C12 C13 H13B 109.6 . . ? H13A C13 H13B 108.1 . . ? O3 C14 O4 125.2(4) . . ? O3 C14 C13 115.9(3) . . ? O4 C14 C13 118.9(3) . . ? C1 N1 C2 115.0(3) . . ? C1 N1 Ag2 121.9(2) . 1_655 ? C2 N1 Ag2 123.0(2) . 1_655 ? C2 N2 C3 115.5(3) . . ? C1 N3 C3 113.9(3) . . ? C1 N3 Ag1 116.7(2) . . ? C3 N3 Ag1 118.1(2) . . ? C1 N4 H4A 120.0 . . ? C1 N4 H4B 120.0 . . ? H4A N4 H4B 120.0 . . ? C2 N5 H5A 120.0 . . ? C2 N5 H5B 120.0 . . ? H5A N5 H5B 120.0 . . ? C3 N6 C7 119.6(3) . . ? C3 N6 C4 121.7(3) . . ? C7 N6 C4 116.8(3) . . ? C10 O1 Ag1 130.2(2) . . ? C10 O2 Ag2 124.3(2) . . ? C10 O2 Ag2 132.8(2) . 2 ? Ag2 O2 Ag2 101.03(10) . 2 ? C14 O3 Ag2 117.6(3) . 2_655 ? C14 O4 Ag1 125.4(2) . 2_655 ? 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 O1 Ag1 Ag2 N1 137.69(10) . . . 1_455 ? O4 Ag1 Ag2 N1 -103.86(10) 2_655 . . 1_455 ? C5 Ag1 Ag2 N1 -6.80(12) . . . 1_455 ? C6 Ag1 Ag2 N1 19.83(12) . . . 1_455 ? N3 Ag1 Ag2 N1 -152.99(16) . . . 1_455 ? O1 Ag1 Ag2 O2 -7.49(9) . . . . ? O4 Ag1 Ag2 O2 110.96(10) 2_655 . . . ? C5 Ag1 Ag2 O2 -151.98(12) . . . . ? C6 Ag1 Ag2 O2 -125.34(12) . . . . ? N3 Ag1 Ag2 O2 61.83(16) . . . . ? O1 Ag1 Ag2 O3 -97.65(12) . . . 2_655 ? O4 Ag1 Ag2 O3 20.80(13) 2_655 . . 2_655 ? C5 Ag1 Ag2 O3 117.86(14) . . . 2_655 ? C6 Ag1 Ag2 O3 144.50(14) . . . 2_655 ? N3 Ag1 Ag2 O3 -28.33(18) . . . 2_655 ? O1 Ag1 Ag2 O2 13.91(19) . . . 2 ? O4 Ag1 Ag2 O2 132.36(19) 2_655 . . 2 ? C5 Ag1 Ag2 O2 -130.6(2) . . . 2 ? C6 Ag1 Ag2 O2 -103.94(19) . . . 2 ? N3 Ag1 Ag2 O2 83.2(2) . . . 2 ? N6 C4 C5 C6 154.9(3) . . . . ? N6 C4 C5 Ag1 73.3(3) . . . . ? O1 Ag1 C5 C6 -52.0(3) . . . . ? O4 Ag1 C5 C6 132.5(2) 2_655 . . . ? N3 Ag1 C5 C6 -138.0(2) . . . . ? Ag2 Ag1 C5 C6 56.1(2) . . . . ? O1 Ag1 C5 C4 67.9(3) . . . . ? O4 Ag1 C5 C4 -107.6(2) 2_655 . . . ? C6 Ag1 C5 C4 119.9(3) . . . . ? N3 Ag1 C5 C4 -18.1(2) . . . . ? Ag2 Ag1 C5 C4 175.94(18) . . . . ? C4 C5 C6 Ag1 -98.1(3) . . . . ? O1 Ag1 C6 C5 147.6(2) . . . . ? O4 Ag1 C6 C5 -59.8(3) 2_655 . . . ? N3 Ag1 C6 C5 44.1(2) . . . . ? Ag2 Ag1 C6 C5 -132.7(2) . . . . ? N6 C7 C8 C9 3.8(6) . . . . ? O1 C10 C11 C12 28.3(5) . . . . ? O2 C10 C11 C12 -154.8(3) . . . . ? C10 C11 C12 C13 -178.8(3) . . . . ? C11 C12 C13 C14 64.4(4) . . . . ? C12 C13 C14 O3 62.8(5) . . . . ? C12 C13 C14 O4 -114.8(4) . . . . ? N4 C1 N1 C2 -178.0(3) . . . . ? N3 C1 N1 C2 0.6(5) . . . . ? N4 C1 N1 Ag2 -0.9(4) . . . 1_655 ? N3 C1 N1 Ag2 177.7(3) . . . 1_655 ? N2 C2 N1 C1 5.8(5) . . . . ? N5 C2 N1 C1 -177.6(3) . . . . ? N2 C2 N1 Ag2 -171.2(3) . . . 1_655 ? N5 C2 N1 Ag2 5.4(4) . . . 1_655 ? N5 C2 N2 C3 177.9(3) . . . . ? N1 C2 N2 C3 -5.4(5) . . . . ? N6 C3 N2 C2 178.1(3) . . . . ? N3 C3 N2 C2 -1.4(5) . . . . ? N4 C1 N3 C3 172.2(3) . . . . ? N1 C1 N3 C3 -6.4(5) . . . . ? N4 C1 N3 Ag1 -44.6(4) . . . . ? N1 C1 N3 Ag1 136.8(3) . . . . ? N2 C3 N3 C1 6.9(5) . . . . ? N6 C3 N3 C1 -172.6(3) . . . . ? N2 C3 N3 Ag1 -135.7(3) . . . . ? N6 C3 N3 Ag1 44.8(4) . . . . ? O1 Ag1 N3 C1 39.9(2) . . . . ? O4 Ag1 N3 C1 -71.8(2) 2_655 . . . ? C5 Ag1 N3 C1 -176.6(2) . . . . ? C6 Ag1 N3 C1 161.4(2) . . . . ? Ag2 Ag1 N3 C1 -26.1(3) . . . . ? O1 Ag1 N3 C3 -178.6(2) . . . . ? O4 Ag1 N3 C3 69.8(2) 2_655 . . . ? C5 Ag1 N3 C3 -35.1(2) . . . . ? C6 Ag1 N3 C3 -57.1(3) . . . . ? Ag2 Ag1 N3 C3 115.5(2) . . . . ? N2 C3 N6 C7 -7.7(5) . . . . ? N3 C3 N6 C7 171.8(3) . . . . ? N2 C3 N6 C4 -171.3(3) . . . . ? N3 C3 N6 C4 8.3(5) . . . . ? C8 C7 N6 C3 -86.4(4) . . . . ? C8 C7 N6 C4 77.9(4) . . . . ? C5 C4 N6 C3 -85.2(4) . . . . ? C5 C4 N6 C7 110.8(4) . . . . ? O2 C10 O1 Ag1 -15.3(5) . . . . ? C11 C10 O1 Ag1 161.3(2) . . . . ? O4 Ag1 O1 C10 -48.5(3) 2_655 . . . ? C5 Ag1 O1 C10 136.2(3) . . . . ? C6 Ag1 O1 C10 107.4(3) . . . . ? N3 Ag1 O1 C10 -141.1(3) . . . . ? Ag2 Ag1 O1 C10 15.0(3) . . . . ? O1 C10 O2 Ag2 2.1(5) . . . . ? C11 C10 O2 Ag2 -174.5(2) . . . . ? O1 C10 O2 Ag2 -159.0(2) . . . 2 ? C11 C10 O2 Ag2 24.4(5) . . . 2 ? N1 Ag2 O2 C10 -77.0(3) 1_455 . . . ? O3 Ag2 O2 C10 91.1(3) 2_655 . . . ? O2 Ag2 O2 C10 -166.0(3) 2 . . . ? Ag1 Ag2 O2 C10 6.5(3) . . . . ? N1 Ag2 O2 Ag2 89.01(17) 1_455 . . 2 ? O3 Ag2 O2 Ag2 -102.91(11) 2_655 . . 2 ? O2 Ag2 O2 Ag2 0.0 2 . . 2 ? Ag1 Ag2 O2 Ag2 172.46(9) . . . 2 ? O4 C14 O3 Ag2 9.3(6) . . . 2_655 ? C13 C14 O3 Ag2 -168.1(2) . . . 2_655 ? O3 C14 O4 Ag1 -45.1(6) . . . 2_655 ? C13 C14 O4 Ag1 132.3(3) . . . 2_655 ? _diffrn_measured_fraction_theta_max 0.978 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.978 _refine_diff_density_max 0.813 _refine_diff_density_min -0.570 _refine_diff_density_rms 0.108 data_p3 _database_code_depnum_ccdc_archive 'CCDC 846655' #TrackingRef '- p1-3.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C28 H30 Ag4 N12 O8, 2(H2 O) ' _chemical_formula_sum 'C28 H34 Ag4 N12 O10' _chemical_formula_weight 1130.15 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' 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' O O 0.0106 0.0060 '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 9.5359(18) _cell_length_b 12.136(2) _cell_length_c 16.687(3) _cell_angle_alpha 76.803(3) _cell_angle_beta 89.310(4) _cell_angle_gamma 67.722(3) _cell_volume 1733.8(5) _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 ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.165 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1108 _exptl_absorpt_coefficient_mu 2.300 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7241 _exptl_absorpt_correction_T_max 0.8026 _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 ? _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 9166 _diffrn_reflns_av_R_equivalents 0.0170 _diffrn_reflns_av_sigmaI/netI 0.0339 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 1.26 _diffrn_reflns_theta_max 25.00 _reflns_number_total 5989 _reflns_number_gt 5449 _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^)+(0.0441P)^2^+0.9233P] 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 5989 _refine_ls_number_parameters 487 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0384 _refine_ls_R_factor_gt 0.0343 _refine_ls_wR_factor_ref 0.0942 _refine_ls_wR_factor_gt 0.0913 _refine_ls_goodness_of_fit_ref 1.100 _refine_ls_restrained_S_all 1.100 _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 0.18179(3) 0.40074(3) 0.560538(19) 0.02221(10) Uani 1 1 d . . . Ag2 Ag 0.16196(4) 0.40832(3) 0.77475(2) 0.02859(11) Uani 1 1 d . . . Ag3 Ag 0.34503(4) 0.10404(3) 0.717831(19) 0.02449(11) Uani 1 1 d . . . Ag4 Ag 0.32460(4) 0.10735(3) 0.950074(19) 0.02371(11) Uani 1 1 d . . . O1 O 0.4319(3) 0.3145(3) 0.61434(17) 0.0262(7) Uani 1 1 d . . . O2 O 0.3607(3) 0.4307(3) 0.70410(19) 0.0274(7) Uani 1 1 d . . . O3 O 0.4097(3) 0.1878(3) 0.81223(17) 0.0242(7) Uani 1 1 d . . . O4 O 0.5503(4) 0.1584(4) 0.92301(19) 0.0413(9) Uani 1 1 d . . . O5 O 1.1090(3) 0.2873(3) 0.70453(18) 0.0238(7) Uani 1 1 d . . . O6 O 0.9719(4) 0.3280(3) 0.58924(18) 0.0335(8) Uani 1 1 d . . . O7 O 1.1640(3) 0.0417(3) 0.80651(18) 0.0241(7) Uani 1 1 d . . . O8 O 1.0843(3) 0.1536(3) 0.89860(17) 0.0273(7) Uani 1 1 d . . . N1 N -0.0753(4) 0.5908(3) 0.7024(2) 0.0200(8) Uani 1 1 d . . . N2 N -0.2034(4) 0.6269(3) 0.5719(2) 0.0189(8) Uani 1 1 d . . . N3 N -0.3332(4) 0.6121(3) 0.6943(2) 0.0214(8) Uani 1 1 d . . . N4 N 0.0463(4) 0.6052(3) 0.5832(2) 0.0206(8) Uani 1 1 d . . . H4C H 0.1061 0.6228 0.6154 0.025 Uiso 1 1 calc R . . H4D H 0.0225 0.6615 0.5346 0.025 Uiso 1 1 calc R . . N5 N -0.4531(4) 0.6500(4) 0.5680(2) 0.0268(9) Uani 1 1 d . . . H5B H -0.5363 0.6534 0.5925 0.032 Uiso 1 1 d R . . H5C H -0.4536 0.6611 0.5140 0.032 Uiso 1 1 d R . . N6 N -0.2086(4) 0.5850(3) 0.8172(2) 0.0248(8) Uani 1 1 d . . . N7 N 0.5716(4) -0.0970(3) 0.7892(2) 0.0196(8) Uani 1 1 d . . . N8 N 0.7001(4) -0.1358(3) 0.9197(2) 0.0194(8) Uani 1 1 d . . . N9 N 0.8325(4) -0.1267(3) 0.7985(2) 0.0188(7) Uani 1 1 d . . . N10 N 0.4482(4) -0.1062(3) 0.9076(2) 0.0257(9) Uani 1 1 d . . . H10A H 0.4691 -0.1686 0.9528 0.031 Uiso 1 1 d R . . H10B H 0.3823 -0.1126 0.8725 0.031 Uiso 1 1 d R . . N11 N 0.9500(4) -0.1610(3) 0.9244(2) 0.0249(8) Uani 1 1 d . . . H11A H 1.0340 -0.1657 0.9003 0.030 Uiso 1 1 d R . . H11B H 0.9493 -0.1702 0.9783 0.030 Uiso 1 1 d R . . N12 N 0.7031(4) -0.0986(3) 0.6746(2) 0.0198(8) Uani 1 1 d . . . C1 C -0.0837(4) 0.6093(4) 0.6206(2) 0.0168(8) Uani 1 1 d . . . C2 C -0.3273(5) 0.6284(4) 0.6124(3) 0.0215(9) Uani 1 1 d . . . C3 C -0.2064(5) 0.5963(4) 0.7353(2) 0.0212(9) Uani 1 1 d . . . C4 C -0.3435(5) 0.5808(4) 0.8580(3) 0.0298(11) Uani 1 1 d . . . H4A H -0.4335 0.6333 0.8210 0.036 Uiso 1 1 calc R . . H4B H -0.3499 0.6123 0.9069 0.036 Uiso 1 1 calc R . . C5 C -0.3403(7) 0.4561(5) 0.8816(3) 0.0455(14) Uani 1 1 d . . . H5A H -0.3396 0.4185 0.8388 0.055 Uiso 1 1 calc R . . C6 C -0.3382(7) 0.3920(5) 0.9563(4) 0.0566(16) Uani 1 1 d . . . H6A H -0.3387 0.4253 1.0013 0.068 Uiso 1 1 calc R . . H6B H -0.3362 0.3129 0.9644 0.068 Uiso 1 1 calc R . . C7 C -0.0798(5) 0.5766(4) 0.8664(3) 0.0263(10) Uani 1 1 d . . . H7A H -0.1162 0.6058 0.9152 0.032 Uiso 1 1 calc R . . H7B H -0.0363 0.6317 0.8348 0.032 Uiso 1 1 calc R . . C8 C 0.0442(5) 0.4517(4) 0.8936(2) 0.0262(10) Uani 1 1 d . . . H8A H 0.0192 0.3814 0.9027 0.031 Uiso 1 1 d R . . C9 C 0.1889(6) 0.4368(5) 0.9051(3) 0.0342(12) Uani 1 1 d . . . H9A H 0.2152 0.5065 0.8962 0.041 Uiso 1 1 d R . . H9B H 0.2658 0.3567 0.9223 0.041 Uiso 1 1 d R . . C10 C 0.5781(5) -0.1141(4) 0.8710(2) 0.0181(9) Uani 1 1 d . . . C11 C 0.8241(5) -0.1400(4) 0.8795(2) 0.0198(9) Uani 1 1 d . . . C12 C 0.7030(5) -0.1077(4) 0.7566(2) 0.0184(9) Uani 1 1 d . . . C13 C 0.8344(5) -0.0922(4) 0.6309(3) 0.0257(10) Uani 1 1 d . . . H13A H 0.8301 -0.1123 0.5782 0.031 Uiso 1 1 calc R . . H13B H 0.9267 -0.1527 0.6629 0.031 Uiso 1 1 calc R . . C14 C 0.8404(6) 0.0308(4) 0.6166(3) 0.0343(12) Uani 1 1 d . . . H14A H 0.8438 0.0604 0.6629 0.041 Uiso 1 1 calc R . . C15 C 0.8413(7) 0.1012(5) 0.5453(3) 0.0429(14) Uani 1 1 d . . . H15A H 0.8380 0.0754 0.4972 0.051 Uiso 1 1 calc R . . H15B H 0.8452 0.1775 0.5423 0.051 Uiso 1 1 calc R . . C16 C 0.5692(5) -0.0874(4) 0.6280(2) 0.0215(9) Uani 1 1 d . . . H16A H 0.5223 -0.1380 0.6619 0.026 Uiso 1 1 calc R . . H16B H 0.6010 -0.1200 0.5799 0.026 Uiso 1 1 calc R . . C17 C 0.4526(5) 0.0392(4) 0.5998(2) 0.0238(10) Uani 1 1 d . . . H17A H 0.4846 0.1059 0.5855 0.029 Uiso 1 1 d R . . C18 C 0.3031(5) 0.0625(5) 0.5939(3) 0.0308(11) Uani 1 1 d . . . H18A H 0.2694 -0.0033 0.6079 0.037 Uiso 1 1 d R . . H18B H 0.2312 0.1445 0.5757 0.037 Uiso 1 1 d R . . C19 C 0.7283(4) 0.3095(4) 0.6758(2) 0.0166(8) Uani 1 1 d . . . H19A H 0.7070 0.3584 0.6221 0.020 Uiso 1 1 calc R . . C20 C 0.6125(4) 0.2871(3) 0.7178(2) 0.0147(8) Uani 1 1 d . . . C21 C 0.6455(4) 0.2120(4) 0.7970(2) 0.0160(8) Uani 1 1 d . . . C22 C 0.7938(4) 0.1621(4) 0.8332(2) 0.0168(8) Uani 1 1 d . . . H22A H 0.8152 0.1130 0.8867 0.020 Uiso 1 1 calc R . . C23 C 0.9097(4) 0.1842(4) 0.7911(2) 0.0158(8) Uani 1 1 d . . . C24 C 0.8760(4) 0.2605(4) 0.7122(2) 0.0173(9) Uani 1 1 d . . . C25 C 0.4539(5) 0.3488(4) 0.6754(2) 0.0197(9) Uani 1 1 d . . . C26 C 0.5277(5) 0.1855(4) 0.8473(3) 0.0206(9) Uani 1 1 d . . . C27 C 0.9929(5) 0.2937(4) 0.6645(3) 0.0193(9) Uani 1 1 d . . . C28 C 1.0664(4) 0.1222(4) 0.8350(2) 0.0173(9) Uani 1 1 d . . . O1W O 0.7322(3) 0.3189(3) 0.33825(18) 0.0314(7) Uani 1 1 d . . . H1WA H 0.7677 0.2818 0.3005 0.047 Uiso 1 1 d R . . H1WB H 0.6796 0.3954 0.3186 0.047 Uiso 1 1 d R . . O2W O 0.8547(4) 0.1652(3) 0.2283(2) 0.0412(9) Uani 1 1 d . . . H2WA H 0.9459 0.1576 0.2298 0.062 Uiso 1 1 d R . . H2WB H 0.8433 0.1033 0.2001 0.062 Uiso 1 1 d R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.01444(18) 0.0343(2) 0.01807(18) -0.00515(14) 0.00134(13) -0.01028(15) Ag2 0.0187(2) 0.0425(2) 0.0279(2) -0.01986(16) 0.00371(14) -0.00902(17) Ag3 0.01724(19) 0.0333(2) 0.02128(18) -0.01207(15) 0.00084(13) -0.00483(15) Ag4 0.01693(19) 0.0411(2) 0.01646(18) -0.00703(14) 0.00233(13) -0.01482(16) O1 0.0158(16) 0.0427(19) 0.0201(16) -0.0103(14) -0.0021(12) -0.0098(14) O2 0.0170(16) 0.0226(16) 0.0383(18) -0.0055(14) 0.0045(14) -0.0041(14) O3 0.0136(15) 0.0352(17) 0.0288(16) -0.0108(14) 0.0036(12) -0.0133(14) O4 0.0288(19) 0.081(3) 0.0169(16) -0.0011(17) 0.0039(14) -0.0299(19) O5 0.0117(15) 0.0298(17) 0.0340(17) -0.0118(13) 0.0010(12) -0.0100(13) O6 0.0235(18) 0.051(2) 0.0211(17) 0.0049(15) 0.0018(13) -0.0164(16) O7 0.0156(16) 0.0251(16) 0.0287(16) -0.0065(13) -0.0007(12) -0.0046(13) O8 0.0143(16) 0.049(2) 0.0198(16) -0.0124(14) 0.0002(12) -0.0108(15) N1 0.0195(19) 0.0217(18) 0.0173(18) -0.0051(14) 0.0011(14) -0.0060(16) N2 0.0174(19) 0.0226(18) 0.0193(18) -0.0066(15) 0.0027(14) -0.0096(16) N3 0.0179(19) 0.0252(19) 0.0186(18) -0.0047(15) 0.0040(15) -0.0061(16) N4 0.0146(19) 0.028(2) 0.0169(17) -0.0024(15) 0.0007(14) -0.0074(16) N5 0.0109(18) 0.048(2) 0.0229(19) -0.0093(17) 0.0049(15) -0.0122(17) N6 0.022(2) 0.032(2) 0.0183(18) -0.0056(16) 0.0049(15) -0.0081(17) N7 0.0132(18) 0.0262(19) 0.0168(17) -0.0051(15) 0.0007(14) -0.0048(15) N8 0.0179(19) 0.0227(19) 0.0158(17) -0.0040(14) -0.0016(14) -0.0063(16) N9 0.0146(18) 0.0229(18) 0.0185(17) -0.0069(14) 0.0030(14) -0.0056(15) N10 0.0163(19) 0.041(2) 0.0147(18) 0.0001(16) -0.0003(14) -0.0096(17) N11 0.0126(18) 0.043(2) 0.0186(18) -0.0090(16) 0.0025(14) -0.0090(17) N12 0.0208(19) 0.0228(19) 0.0147(17) -0.0059(15) 0.0018(14) -0.0065(16) C1 0.013(2) 0.018(2) 0.018(2) -0.0039(16) 0.0005(16) -0.0058(17) C2 0.022(2) 0.022(2) 0.020(2) -0.0061(17) 0.0034(18) -0.0076(19) C3 0.024(2) 0.017(2) 0.021(2) -0.0059(17) 0.0020(18) -0.0048(19) C4 0.030(3) 0.041(3) 0.020(2) -0.011(2) 0.0107(19) -0.013(2) C5 0.055(4) 0.054(3) 0.046(3) -0.028(3) 0.029(3) -0.033(3) C6 0.076(5) 0.045(3) 0.054(4) -0.008(3) 0.015(3) -0.032(3) C7 0.033(3) 0.028(2) 0.014(2) -0.0078(18) 0.0020(19) -0.006(2) C8 0.035(3) 0.026(2) 0.015(2) -0.0099(18) 0.0057(19) -0.006(2) C9 0.034(3) 0.041(3) 0.023(2) -0.016(2) -0.001(2) -0.005(2) C10 0.015(2) 0.019(2) 0.018(2) -0.0047(17) 0.0027(16) -0.0042(18) C11 0.019(2) 0.020(2) 0.017(2) -0.0060(17) 0.0029(17) -0.0032(18) C12 0.023(2) 0.0137(19) 0.016(2) -0.0033(16) -0.0004(17) -0.0051(18) C13 0.030(3) 0.031(2) 0.018(2) -0.0101(19) 0.0067(19) -0.012(2) C14 0.040(3) 0.038(3) 0.027(3) -0.015(2) 0.013(2) -0.014(2) C15 0.068(4) 0.040(3) 0.033(3) -0.013(2) 0.018(3) -0.032(3) C16 0.025(2) 0.024(2) 0.014(2) -0.0074(17) -0.0001(17) -0.0059(19) C17 0.029(3) 0.027(2) 0.014(2) -0.0082(17) 0.0017(18) -0.007(2) C18 0.028(3) 0.034(3) 0.022(2) -0.013(2) -0.005(2) 0.001(2) C19 0.016(2) 0.020(2) 0.0128(19) -0.0042(16) -0.0020(16) -0.0058(18) C20 0.012(2) 0.017(2) 0.017(2) -0.0077(16) 0.0006(16) -0.0066(17) C21 0.013(2) 0.021(2) 0.018(2) -0.0110(17) 0.0021(16) -0.0077(17) C22 0.014(2) 0.021(2) 0.0136(19) -0.0016(16) -0.0012(15) -0.0059(17) C23 0.013(2) 0.022(2) 0.0139(19) -0.0065(16) 0.0006(15) -0.0063(17) C24 0.013(2) 0.023(2) 0.016(2) -0.0069(17) -0.0003(16) -0.0060(18) C25 0.013(2) 0.027(2) 0.018(2) 0.0007(18) 0.0017(17) -0.0107(19) C26 0.018(2) 0.020(2) 0.022(2) -0.0028(17) 0.0017(18) -0.0055(18) C27 0.012(2) 0.016(2) 0.025(2) -0.0026(17) 0.0015(17) -0.0027(17) C28 0.013(2) 0.024(2) 0.015(2) 0.0003(17) 0.0024(16) -0.0103(18) O1W 0.0253(18) 0.0304(17) 0.0349(18) -0.0100(14) 0.0057(14) -0.0059(14) O2W 0.029(2) 0.047(2) 0.056(2) -0.0286(18) 0.0091(16) -0.0151(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 N2 2.305(3) 2_566 ? Ag1 O1 2.306(3) . ? Ag1 N4 2.441(3) . ? Ag1 O6 2.478(3) 1_455 ? Ag2 O5 2.269(3) 1_455 ? Ag2 O2 2.290(3) . ? Ag2 C9 2.312(4) . ? Ag2 C8 2.333(4) . ? Ag2 N1 2.555(3) . ? Ag3 O3 2.264(3) . ? Ag3 C18 2.311(4) . ? Ag3 C17 2.366(4) . ? Ag3 O5 2.460(3) 1_455 ? Ag3 O7 2.482(3) 1_455 ? Ag3 N7 2.603(3) . ? Ag4 O8 2.270(3) 1_455 ? Ag4 N8 2.272(3) 2_657 ? Ag4 O4 2.466(3) . ? Ag4 O3 2.536(3) . ? O1 C25 1.233(5) . ? O2 C25 1.243(5) . ? O3 C26 1.263(5) . ? O4 C26 1.230(5) . ? O5 C27 1.267(5) . ? O5 Ag2 2.269(3) 1_655 ? O5 Ag3 2.460(3) 1_655 ? O6 C27 1.223(5) . ? O6 Ag1 2.478(3) 1_655 ? O7 C28 1.249(5) . ? O7 Ag3 2.482(3) 1_655 ? O8 C28 1.241(5) . ? O8 Ag4 2.270(3) 1_655 ? N1 C1 1.330(5) . ? N1 C3 1.344(5) . ? N2 C1 1.329(5) . ? N2 C2 1.349(5) . ? N2 Ag1 2.305(3) 2_566 ? N3 C3 1.324(5) . ? N3 C2 1.340(5) . ? N4 C1 1.371(5) . ? N4 H4C 0.9000 . ? N4 H4D 0.9000 . ? N5 C2 1.323(6) . ? N5 H5B 0.8799 . ? N5 H5C 0.8801 . ? N6 C3 1.342(5) . ? N6 C7 1.444(6) . ? N6 C4 1.460(5) . ? N7 C10 1.332(5) . ? N7 C12 1.333(5) . ? N8 C10 1.333(5) . ? N8 C11 1.343(5) . ? N8 Ag4 2.272(3) 2_657 ? N9 C11 1.330(5) . ? N9 C12 1.341(5) . ? N10 C10 1.355(5) . ? N10 H10A 0.9000 . ? N10 H10B 0.9000 . ? N11 C11 1.330(5) . ? N11 H11A 0.8800 . ? N11 H11B 0.8800 . ? N12 C12 1.348(5) . ? N12 C16 1.449(5) . ? N12 C13 1.459(5) . ? C4 C5 1.463(7) . ? C4 H4A 0.9700 . ? C4 H4B 0.9700 . ? C5 C6 1.306(7) . ? C5 H5A 0.9300 . ? C6 H6A 0.9300 . ? C6 H6B 0.9300 . ? C7 C8 1.497(6) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C8 C9 1.333(7) . ? C8 H8A 0.9500 . ? C9 H9A 0.9500 . ? C9 H9B 0.9500 . ? C13 C14 1.480(6) . ? C13 H13A 0.9700 . ? C13 H13B 0.9700 . ? C14 C15 1.299(7) . ? C14 H14A 0.9300 . ? C15 H15A 0.9300 . ? C15 H15B 0.9300 . ? C16 C17 1.485(6) . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C17 C18 1.344(6) . ? C17 H17A 0.9499 . ? C18 H18A 0.9500 . ? C18 H18B 0.9500 . ? C19 C20 1.382(5) . ? C19 C24 1.388(5) . ? C19 H19A 0.9300 . ? C20 C21 1.385(5) . ? C20 C25 1.508(5) . ? C21 C22 1.391(5) . ? C21 C26 1.483(5) . ? C22 C23 1.380(5) . ? C22 H22A 0.9300 . ? C23 C24 1.387(5) . ? C23 C28 1.503(5) . ? C24 C27 1.487(5) . ? O1W H1WA 0.8500 . ? O1W H1WB 0.8569 . ? O2W H2WA 0.8400 . ? O2W H2WB 1.0094 . ? 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 O1 102.25(11) 2_566 . ? N2 Ag1 N4 120.09(12) 2_566 . ? O1 Ag1 N4 112.65(11) . . ? N2 Ag1 O6 95.30(11) 2_566 1_455 ? O1 Ag1 O6 130.71(11) . 1_455 ? N4 Ag1 O6 96.60(11) . 1_455 ? O5 Ag2 O2 98.61(11) 1_455 . ? O5 Ag2 C9 143.87(16) 1_455 . ? O2 Ag2 C9 107.83(16) . . ? O5 Ag2 C8 122.02(14) 1_455 . ? O2 Ag2 C8 138.75(15) . . ? C9 Ag2 C8 33.34(17) . . ? O5 Ag2 N1 90.09(11) 1_455 . ? O2 Ag2 N1 105.57(11) . . ? C9 Ag2 N1 105.53(14) . . ? C8 Ag2 N1 82.89(13) . . ? O3 Ag3 C18 161.91(15) . . ? O3 Ag3 C17 135.10(14) . . ? C18 Ag3 C17 33.37(16) . . ? O3 Ag3 O5 80.90(10) . 1_455 ? C18 Ag3 O5 96.43(13) . 1_455 ? C17 Ag3 O5 120.95(13) . 1_455 ? O3 Ag3 O7 93.02(10) . 1_455 ? C18 Ag3 O7 103.33(15) . 1_455 ? C17 Ag3 O7 129.51(14) . 1_455 ? O5 Ag3 O7 72.68(9) 1_455 1_455 ? O3 Ag3 N7 85.75(11) . . ? C18 Ag3 N7 101.34(14) . . ? C17 Ag3 N7 80.24(13) . . ? O5 Ag3 N7 158.53(10) 1_455 . ? O7 Ag3 N7 91.42(10) 1_455 . ? O8 Ag4 N8 104.94(11) 1_455 2_657 ? O8 Ag4 O4 142.89(11) 1_455 . ? N8 Ag4 O4 97.35(12) 2_657 . ? O8 Ag4 O3 94.40(10) 1_455 . ? N8 Ag4 O3 141.35(11) 2_657 . ? O4 Ag4 O3 51.57(10) . . ? C25 O1 Ag1 113.8(3) . . ? C25 O2 Ag2 123.5(3) . . ? C26 O3 Ag3 139.3(3) . . ? C26 O3 Ag4 91.2(2) . . ? Ag3 O3 Ag4 107.99(11) . . ? C26 O4 Ag4 95.4(3) . . ? C27 O5 Ag2 135.6(3) . 1_655 ? C27 O5 Ag3 118.5(3) . 1_655 ? Ag2 O5 Ag3 105.91(11) 1_655 1_655 ? C27 O6 Ag1 99.3(3) . 1_655 ? C28 O7 Ag3 117.2(3) . 1_655 ? C28 O8 Ag4 118.7(2) . 1_655 ? C1 N1 C3 113.6(4) . . ? C1 N1 Ag2 113.5(2) . . ? C3 N1 Ag2 115.3(3) . . ? C1 N2 C2 114.1(3) . . ? C1 N2 Ag1 122.2(3) . 2_566 ? C2 N2 Ag1 121.4(3) . 2_566 ? C3 N3 C2 114.9(4) . . ? C1 N4 Ag1 109.4(3) . . ? C1 N4 H4C 109.8 . . ? Ag1 N4 H4C 109.8 . . ? C1 N4 H4D 109.8 . . ? Ag1 N4 H4D 109.8 . . ? H4C N4 H4D 108.2 . . ? C2 N5 H5B 120.0 . . ? C2 N5 H5C 120.0 . . ? H5B N5 H5C 120.0 . . ? C3 N6 C7 121.3(4) . . ? C3 N6 C4 119.8(4) . . ? C7 N6 C4 118.9(4) . . ? C10 N7 C12 114.4(3) . . ? C10 N7 Ag3 111.3(2) . . ? C12 N7 Ag3 113.5(3) . . ? C10 N8 C11 114.3(3) . . ? C10 N8 Ag4 120.6(3) . 2_657 ? C11 N8 Ag4 122.5(3) . 2_657 ? C11 N9 C12 114.5(3) . . ? C10 N10 H10A 109.4 . . ? C10 N10 H10B 109.5 . . ? H10A N10 H10B 108.3 . . ? C11 N11 H11A 120.0 . . ? C11 N11 H11B 120.0 . . ? H11A N11 H11B 120.0 . . ? C12 N12 C16 120.2(4) . . ? C12 N12 C13 120.4(4) . . ? C16 N12 C13 119.2(3) . . ? N2 C1 N1 126.7(4) . . ? N2 C1 N4 116.8(3) . . ? N1 C1 N4 116.4(4) . . ? N5 C2 N3 117.4(4) . . ? N5 C2 N2 117.9(4) . . ? N3 C2 N2 124.7(4) . . ? N3 C3 N6 117.2(4) . . ? N3 C3 N1 125.9(4) . . ? N6 C3 N1 116.9(4) . . ? N6 C4 C5 111.9(4) . . ? N6 C4 H4A 109.2 . . ? C5 C4 H4A 109.2 . . ? N6 C4 H4B 109.2 . . ? C5 C4 H4B 109.2 . . ? H4A C4 H4B 107.9 . . ? C6 C5 C4 127.0(5) . . ? C6 C5 H5A 116.5 . . ? C4 C5 H5A 116.5 . . ? C5 C6 H6A 120.0 . . ? C5 C6 H6B 120.0 . . ? H6A C6 H6B 120.0 . . ? N6 C7 C8 116.1(4) . . ? N6 C7 H7A 108.3 . . ? C8 C7 H7A 108.3 . . ? N6 C7 H7B 108.3 . . ? C8 C7 H7B 108.3 . . ? H7A C7 H7B 107.4 . . ? C9 C8 C7 121.5(5) . . ? C9 C8 Ag2 72.4(3) . . ? C7 C8 Ag2 105.8(3) . . ? C9 C8 H8A 119.2 . . ? C7 C8 H8A 119.3 . . ? Ag2 C8 H8A 91.5 . . ? C8 C9 Ag2 74.2(3) . . ? C8 C9 H9A 119.9 . . ? Ag2 C9 H9A 104.8 . . ? C8 C9 H9B 120.1 . . ? Ag2 C9 H9B 91.0 . . ? H9A C9 H9B 120.0 . . ? N7 C10 N8 125.8(4) . . ? N7 C10 N10 117.0(4) . . ? N8 C10 N10 117.2(4) . . ? N11 C11 N9 117.1(4) . . ? N11 C11 N8 117.5(4) . . ? N9 C11 N8 125.4(4) . . ? N7 C12 N9 125.5(4) . . ? N7 C12 N12 116.1(4) . . ? N9 C12 N12 118.4(4) . . ? N12 C13 C14 112.2(4) . . ? N12 C13 H13A 109.2 . . ? C14 C13 H13A 109.2 . . ? N12 C13 H13B 109.2 . . ? C14 C13 H13B 109.2 . . ? H13A C13 H13B 107.9 . . ? C15 C14 C13 126.0(5) . . ? C15 C14 H14A 117.0 . . ? C13 C14 H14A 117.0 . . ? C14 C15 H15A 120.0 . . ? C14 C15 H15B 120.0 . . ? H15A C15 H15B 120.0 . . ? N12 C16 C17 115.4(4) . . ? N12 C16 H16A 108.4 . . ? C17 C16 H16A 108.4 . . ? N12 C16 H16B 108.4 . . ? C17 C16 H16B 108.4 . . ? H16A C16 H16B 107.5 . . ? C18 C17 C16 122.1(5) . . ? C18 C17 Ag3 71.1(2) . . ? C16 C17 Ag3 107.9(3) . . ? C18 C17 H17A 118.9 . . ? C16 C17 H17A 119.0 . . ? Ag3 C17 H17A 91.0 . . ? C17 C18 Ag3 75.6(3) . . ? C17 C18 H18A 119.9 . . ? Ag3 C18 H18A 105.5 . . ? C17 C18 H18B 120.1 . . ? Ag3 C18 H18B 89.0 . . ? H18A C18 H18B 120.0 . . ? C20 C19 C24 121.2(4) . . ? C20 C19 H19A 119.4 . . ? C24 C19 H19A 119.4 . . ? C19 C20 C21 119.2(4) . . ? C19 C20 C25 117.8(3) . . ? C21 C20 C25 122.9(3) . . ? C20 C21 C22 119.6(4) . . ? C20 C21 C26 122.8(4) . . ? C22 C21 C26 117.6(4) . . ? C23 C22 C21 121.3(4) . . ? C23 C22 H22A 119.4 . . ? C21 C22 H22A 119.4 . . ? C22 C23 C24 119.0(4) . . ? C22 C23 C28 116.8(3) . . ? C24 C23 C28 124.2(3) . . ? C23 C24 C19 119.7(4) . . ? C23 C24 C27 122.3(4) . . ? C19 C24 C27 118.0(3) . . ? O1 C25 O2 126.9(4) . . ? O1 C25 C20 116.2(4) . . ? O2 C25 C20 116.9(4) . . ? O4 C26 O3 121.7(4) . . ? O4 C26 C21 118.4(4) . . ? O3 C26 C21 119.9(4) . . ? O6 C27 O5 123.1(4) . . ? O6 C27 C24 119.0(4) . . ? O5 C27 C24 117.9(4) . . ? O8 C28 O7 126.2(4) . . ? O8 C28 C23 115.9(3) . . ? O7 C28 C23 117.8(4) . . ? H1WA O1W H1WB 112.0 . . ? H2WA O2W H2WB 109.3 . . ? 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 N2 Ag1 O1 C25 160.1(3) 2_566 . . . ? N4 Ag1 O1 C25 29.8(3) . . . . ? O6 Ag1 O1 C25 -91.8(3) 1_455 . . . ? O5 Ag2 O2 C25 -34.4(3) 1_455 . . . ? C9 Ag2 O2 C25 120.6(3) . . . . ? C8 Ag2 O2 C25 136.0(3) . . . . ? N1 Ag2 O2 C25 -126.9(3) . . . . ? C18 Ag3 O3 C26 -74.3(6) . . . . ? C17 Ag3 O3 C26 -31.9(5) . . . . ? O5 Ag3 O3 C26 -157.2(4) 1_455 . . . ? O7 Ag3 O3 C26 130.9(4) 1_455 . . . ? N7 Ag3 O3 C26 39.7(4) . . . . ? C18 Ag3 O3 Ag4 171.4(4) . . . . ? C17 Ag3 O3 Ag4 -146.16(16) . . . . ? O5 Ag3 O3 Ag4 88.58(12) 1_455 . . . ? O7 Ag3 O3 Ag4 16.66(12) 1_455 . . . ? N7 Ag3 O3 Ag4 -74.55(12) . . . . ? O8 Ag4 O3 C26 166.2(2) 1_455 . . . ? N8 Ag4 O3 C26 45.5(3) 2_657 . . . ? O4 Ag4 O3 C26 2.5(2) . . . . ? O8 Ag4 O3 Ag3 -50.27(13) 1_455 . . . ? N8 Ag4 O3 Ag3 -170.94(14) 2_657 . . . ? O4 Ag4 O3 Ag3 145.99(19) . . . . ? O8 Ag4 O4 C26 -30.1(4) 1_455 . . . ? N8 Ag4 O4 C26 -157.1(3) 2_657 . . . ? O3 Ag4 O4 C26 -2.5(2) . . . . ? O5 Ag2 N1 C1 -51.5(3) 1_455 . . . ? O2 Ag2 N1 C1 47.5(3) . . . . ? C9 Ag2 N1 C1 161.5(3) . . . . ? C8 Ag2 N1 C1 -173.8(3) . . . . ? O5 Ag2 N1 C3 81.9(3) 1_455 . . . ? O2 Ag2 N1 C3 -179.1(3) . . . . ? C9 Ag2 N1 C3 -65.1(3) . . . . ? C8 Ag2 N1 C3 -40.4(3) . . . . ? N2 Ag1 N4 C1 112.9(3) 2_566 . . . ? O1 Ag1 N4 C1 -126.6(2) . . . . ? O6 Ag1 N4 C1 12.8(3) 1_455 . . . ? O3 Ag3 N7 C10 40.6(3) . . . . ? C18 Ag3 N7 C10 -156.2(3) . . . . ? C17 Ag3 N7 C10 177.8(3) . . . . ? O5 Ag3 N7 C10 -10.9(5) 1_455 . . . ? O7 Ag3 N7 C10 -52.3(3) 1_455 . . . ? O3 Ag3 N7 C12 -90.1(3) . . . . ? C18 Ag3 N7 C12 73.1(3) . . . . ? C17 Ag3 N7 C12 47.1(3) . . . . ? O5 Ag3 N7 C12 -141.6(3) 1_455 . . . ? O7 Ag3 N7 C12 177.0(3) 1_455 . . . ? C2 N2 C1 N1 1.7(6) . . . . ? Ag1 N2 C1 N1 -161.0(3) 2_566 . . . ? C2 N2 C1 N4 179.2(3) . . . . ? Ag1 N2 C1 N4 16.5(5) 2_566 . . . ? C3 N1 C1 N2 -2.7(6) . . . . ? Ag2 N1 C1 N2 131.5(4) . . . . ? C3 N1 C1 N4 179.8(3) . . . . ? Ag2 N1 C1 N4 -45.9(4) . . . . ? Ag1 N4 C1 N2 -81.5(4) . . . . ? Ag1 N4 C1 N1 96.2(3) . . . . ? C3 N3 C2 N5 -177.1(4) . . . . ? C3 N3 C2 N2 1.5(6) . . . . ? C1 N2 C2 N5 177.5(4) . . . . ? Ag1 N2 C2 N5 -19.6(5) 2_566 . . . ? C1 N2 C2 N3 -1.0(6) . . . . ? Ag1 N2 C2 N3 161.9(3) 2_566 . . . ? C2 N3 C3 N6 177.2(4) . . . . ? C2 N3 C3 N1 -2.7(6) . . . . ? C7 N6 C3 N3 -175.4(4) . . . . ? C4 N6 C3 N3 4.7(6) . . . . ? C7 N6 C3 N1 4.5(6) . . . . ? C4 N6 C3 N1 -175.4(4) . . . . ? C1 N1 C3 N3 3.3(6) . . . . ? Ag2 N1 C3 N3 -130.1(4) . . . . ? C1 N1 C3 N6 -176.6(4) . . . . ? Ag2 N1 C3 N6 50.0(4) . . . . ? C3 N6 C4 C5 86.7(5) . . . . ? C7 N6 C4 C5 -93.2(5) . . . . ? N6 C4 C5 C6 117.8(6) . . . . ? C3 N6 C7 C8 -83.5(5) . . . . ? C4 N6 C7 C8 96.4(5) . . . . ? N6 C7 C8 C9 149.6(4) . . . . ? N6 C7 C8 Ag2 70.8(4) . . . . ? O5 Ag2 C8 C9 141.5(3) 1_455 . . . ? O2 Ag2 C8 C9 -27.3(4) . . . . ? N1 Ag2 C8 C9 -132.9(3) . . . . ? O5 Ag2 C8 C7 -99.8(3) 1_455 . . . ? O2 Ag2 C8 C7 91.4(3) . . . . ? C9 Ag2 C8 C7 118.7(5) . . . . ? N1 Ag2 C8 C7 -14.2(3) . . . . ? C7 C8 C9 Ag2 -98.1(4) . . . . ? O5 Ag2 C9 C8 -63.5(4) 1_455 . . . ? O2 Ag2 C9 C8 161.5(3) . . . . ? N1 Ag2 C9 C8 49.0(3) . . . . ? C12 N7 C10 N8 2.4(6) . . . . ? Ag3 N7 C10 N8 -127.8(4) . . . . ? C12 N7 C10 N10 -179.0(4) . . . . ? Ag3 N7 C10 N10 50.7(4) . . . . ? C11 N8 C10 N7 -0.1(6) . . . . ? Ag4 N8 C10 N7 161.9(3) 2_657 . . . ? C11 N8 C10 N10 -178.6(4) . . . . ? Ag4 N8 C10 N10 -16.7(5) 2_657 . . . ? C12 N9 C11 N11 179.0(4) . . . . ? C12 N9 C11 N8 0.2(6) . . . . ? C10 N8 C11 N11 179.8(4) . . . . ? Ag4 N8 C11 N11 18.2(5) 2_657 . . . ? C10 N8 C11 N9 -1.3(6) . . . . ? Ag4 N8 C11 N9 -162.9(3) 2_657 . . . ? C10 N7 C12 N9 -3.8(6) . . . . ? Ag3 N7 C12 N9 125.4(4) . . . . ? C10 N7 C12 N12 176.0(3) . . . . ? Ag3 N7 C12 N12 -54.9(4) . . . . ? C11 N9 C12 N7 2.6(6) . . . . ? C11 N9 C12 N12 -177.1(3) . . . . ? C16 N12 C12 N7 -4.5(5) . . . . ? C13 N12 C12 N7 171.6(3) . . . . ? C16 N12 C12 N9 175.3(4) . . . . ? C13 N12 C12 N9 -8.6(6) . . . . ? C12 N12 C13 C14 -76.9(5) . . . . ? C16 N12 C13 C14 99.2(5) . . . . ? N12 C13 C14 C15 -121.8(5) . . . . ? C12 N12 C16 C17 84.8(5) . . . . ? C13 N12 C16 C17 -91.3(4) . . . . ? N12 C16 C17 C18 -146.5(4) . . . . ? N12 C16 C17 Ag3 -68.1(4) . . . . ? O3 Ag3 C17 C18 -157.6(3) . . . . ? O5 Ag3 C17 C18 -47.7(3) 1_455 . . . ? O7 Ag3 C17 C18 44.9(3) 1_455 . . . ? N7 Ag3 C17 C18 128.6(3) . . . . ? O3 Ag3 C17 C16 83.8(4) . . . . ? C18 Ag3 C17 C16 -118.6(5) . . . . ? O5 Ag3 C17 C16 -166.3(3) 1_455 . . . ? O7 Ag3 C17 C16 -73.8(3) 1_455 . . . ? N7 Ag3 C17 C16 10.0(3) . . . . ? C16 C17 C18 Ag3 99.7(4) . . . . ? O3 Ag3 C18 C17 60.0(6) . . . . ? O5 Ag3 C18 C17 140.3(3) 1_455 . . . ? O7 Ag3 C18 C17 -146.0(3) 1_455 . . . ? N7 Ag3 C18 C17 -51.8(3) . . . . ? C24 C19 C20 C21 -1.4(6) . . . . ? C24 C19 C20 C25 177.1(4) . . . . ? C19 C20 C21 C22 0.9(6) . . . . ? C25 C20 C21 C22 -177.5(4) . . . . ? C19 C20 C21 C26 178.4(4) . . . . ? C25 C20 C21 C26 -0.1(6) . . . . ? C20 C21 C22 C23 -1.2(6) . . . . ? C26 C21 C22 C23 -178.8(4) . . . . ? C21 C22 C23 C24 1.9(6) . . . . ? C21 C22 C23 C28 -178.0(4) . . . . ? C22 C23 C24 C19 -2.3(6) . . . . ? C28 C23 C24 C19 177.5(4) . . . . ? C22 C23 C24 C27 176.9(4) . . . . ? C28 C23 C24 C27 -3.3(6) . . . . ? C20 C19 C24 C23 2.2(6) . . . . ? C20 C19 C24 C27 -177.1(4) . . . . ? Ag1 O1 C25 O2 -7.3(6) . . . . ? Ag1 O1 C25 C20 174.8(3) . . . . ? Ag2 O2 C25 O1 73.4(5) . . . . ? Ag2 O2 C25 C20 -108.7(4) . . . . ? C19 C20 C25 O1 67.6(5) . . . . ? C21 C20 C25 O1 -113.9(4) . . . . ? C19 C20 C25 O2 -110.6(4) . . . . ? C21 C20 C25 O2 67.9(5) . . . . ? Ag4 O4 C26 O3 4.7(5) . . . . ? Ag4 O4 C26 C21 -173.2(3) . . . . ? Ag3 O3 C26 O4 -124.4(4) . . . . ? Ag4 O3 C26 O4 -4.6(4) . . . . ? Ag3 O3 C26 C21 53.5(6) . . . . ? Ag4 O3 C26 C21 173.4(3) . . . . ? C20 C21 C26 O4 -153.8(4) . . . . ? C22 C21 C26 O4 23.7(6) . . . . ? C20 C21 C26 O3 28.2(6) . . . . ? C22 C21 C26 O3 -154.3(4) . . . . ? Ag1 O6 C27 O5 -8.6(5) 1_655 . . . ? Ag1 O6 C27 C24 169.8(3) 1_655 . . . ? Ag2 O5 C27 O6 98.3(5) 1_655 . . . ? Ag3 O5 C27 O6 -82.9(5) 1_655 . . . ? Ag2 O5 C27 C24 -80.2(5) 1_655 . . . ? Ag3 O5 C27 C24 98.7(4) 1_655 . . . ? C23 C24 C27 O6 157.9(4) . . . . ? C19 C24 C27 O6 -22.9(6) . . . . ? C23 C24 C27 O5 -23.6(6) . . . . ? C19 C24 C27 O5 155.6(4) . . . . ? Ag4 O8 C28 O7 19.2(6) 1_655 . . . ? Ag4 O8 C28 C23 -163.6(3) 1_655 . . . ? Ag3 O7 C28 O8 -84.3(5) 1_655 . . . ? Ag3 O7 C28 C23 98.6(4) 1_655 . . . ? C22 C23 C28 O8 -64.2(5) . . . . ? C24 C23 C28 O8 116.0(4) . . . . ? C22 C23 C28 O7 113.2(4) . . . . ? C24 C23 C28 O7 -66.6(5) . . . . ? _diffrn_measured_fraction_theta_max 0.979 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.979 _refine_diff_density_max 1.026 _refine_diff_density_min -0.576 _refine_diff_density_rms 0.119