# Supplementary Material (ESI) for New Journal of Chemistry # This journal is © The Royal Society of Chemistry and # The Centre National de la Recherche Scientifique, 2001 # CCDC Number: 440/250 data_Complex 1 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C30 H32 Ag2 N12 O13' _chemical_formula_weight 984.42 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 Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 8.9218(11) _cell_length_b 11.9058(14) _cell_length_c 18.795(2) _cell_angle_alpha 71.592(2) _cell_angle_beta 76.372(2) _cell_angle_gamma 88.482(2) _cell_volume 1838.4(4) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used CCD _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description Block _exptl_crystal_colour Pale Yellow _exptl_crystal_size_max 0.31 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.778 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 988 _exptl_absorpt_coefficient_mu 1.147 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min 0.7175 _exptl_absorpt_correction_T_max 0.8468 _exptl_absorpt_process_details ? _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 CCD _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 13006 _diffrn_reflns_av_R_equivalents 0.0116 _diffrn_reflns_av_sigmaI/netI 0.0300 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 2.82 _diffrn_reflns_theta_max 30.01 _reflns_number_total 9809 _reflns_number_gt 6621 _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^)+(0.0486P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 9809 _refine_ls_number_parameters 514 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0539 _refine_ls_R_factor_gt 0.0318 _refine_ls_wR_factor_ref 0.0867 _refine_ls_wR_factor_gt 0.0784 _refine_ls_goodness_of_fit_ref 0.924 _refine_ls_restrained_S_all 0.924 _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 0.84834(2) 0.927448(16) 0.131879(10) 0.05017(7) Uani 1 1 d . . . Ag2 Ag 0.34654(3) 0.167750(17) 0.432201(11) 0.05794(8) Uani 1 1 d . . . O1 O 1.5426(4) 0.9618(3) -0.24052(15) 0.1325(13) Uani 1 1 d . . . O2 O 1.3536(3) 0.8571(2) -0.23877(12) 0.0867(7) Uani 1 1 d . . . O3 O 1.6641(3) 0.92168(19) 0.00691(13) 0.0823(7) Uani 1 1 d . . . O4 O 1.6036(3) 0.7576(2) 0.09854(12) 0.0795(7) Uani 1 1 d . . . O5 O 1.2529(2) 0.46111(16) 0.08194(10) 0.0580(5) Uani 1 1 d . . . O6 O 1.2179(2) 0.47549(15) -0.03364(10) 0.0597(5) Uani 1 1 d . . . O7 O 0.2230(3) 0.7118(2) 0.18219(12) 0.0906(8) Uani 1 1 d . . . O8 O 0.3173(5) 0.8611(2) 0.19701(15) 0.1440(15) Uani 1 1 d . . . O9 O 0.5218(3) 0.80341(18) 0.42495(13) 0.0730(6) Uani 1 1 d . . . O10 O 0.4649(3) 0.64009(19) 0.51851(13) 0.0706(6) Uani 1 1 d . . . O11 O 0.1105(2) 0.33558(16) 0.51043(10) 0.0638(5) Uani 1 1 d . . . O12 O -0.0078(2) 0.38602(15) 0.41404(10) 0.0557(5) Uani 1 1 d . . . N1 N 0.8141(2) 0.78007(18) 0.23421(11) 0.0473(5) Uani 1 1 d . . . N2 N 0.8333(3) 0.6773(2) 0.34998(12) 0.0556(6) Uani 1 1 d . . . H2 H 0.8479 0.6605 0.3957 0.067 Uiso 1 1 d R . . N3 N 0.9111(2) 1.09931(15) 0.05240(10) 0.0387(4) Uani 1 1 d . . . N4 N 1.0304(2) 1.27520(16) -0.00048(11) 0.0447(5) Uani 1 1 d . . . H4 H 1.0850 1.3373 -0.0061 0.054 Uiso 1 1 d R . . N5 N 0.3828(2) 0.31387(17) 0.32869(11) 0.0450(5) Uani 1 1 d . . . N6 N 0.3671(2) 0.41806(18) 0.21230(11) 0.0487(5) Uani 1 1 d . . . H6 H 0.3338 0.4426 0.1709 0.058 Uiso 1 1 d R . . N7 N 0.2837(2) -0.00585(17) 0.51033(11) 0.0432(4) Uani 1 1 d . . . N8 N 0.1776(2) -0.18580(17) 0.55921(11) 0.0457(5) Uani 1 1 d . . . H8 H 0.1260 -0.2488 0.5639 0.055 Uiso 1 1 d R . . N9 N 1.6007(2) 0.82340(19) 0.03459(13) 0.0530(5) Uani 1 1 d . . . N10 N 1.4448(3) 0.88196(19) -0.20785(13) 0.0605(6) Uani 1 1 d . . . N11 N 0.4584(2) 0.70517(19) 0.45462(13) 0.0504(5) Uani 1 1 d . . . N12 N 0.2715(3) 0.7592(2) 0.22090(13) 0.0675(7) Uani 1 1 d . . . C1 C 0.8863(4) 0.8938(3) 0.31300(17) 0.0716(9) Uani 1 1 d . . . H1A H 0.9005 0.8737 0.3645 0.107 Uiso 1 1 d R . . H1B H 0.8060 0.9488 0.3070 0.107 Uiso 1 1 d R . . H1C H 0.9808 0.9294 0.2766 0.107 Uiso 1 1 d R . . C2 C 0.8436(3) 0.7857(2) 0.29860(13) 0.0472(6) Uani 1 1 d . . . C3 C 0.7963(4) 0.5979(3) 0.31768(17) 0.0663(8) Uani 1 1 d . . . H3 H 0.7817 0.5162 0.3405 0.080 Uiso 1 1 d R . . C4 C 0.7849(3) 0.6618(2) 0.24529(16) 0.0605(7) Uani 1 1 d . . . H4A H 0.7612 0.6309 0.2094 0.073 Uiso 1 1 d R . . C5 C 1.0536(3) 1.1665(3) 0.13339(15) 0.0594(7) Uani 1 1 d . . . H5A H 1.1141 1.2366 0.1258 0.089 Uiso 1 1 d R . . H5B H 1.1160 1.0990 0.1432 0.089 Uiso 1 1 d R . . H5C H 0.9668 1.1560 0.1767 0.089 Uiso 1 1 d R . . C6 C 0.9977(3) 1.1787(2) 0.06279(13) 0.0398(5) Uani 1 1 d . . . C7 C 0.9617(3) 1.2575(2) -0.05391(14) 0.0451(5) Uani 1 1 d . . . H7 H 0.9653 1.3097 -0.1030 0.054 Uiso 1 1 d R . . C8 C 0.8881(3) 1.14909(19) -0.02165(13) 0.0405(5) Uani 1 1 d . . . H8A H 0.8311 1.1136 -0.0451 0.049 Uiso 1 1 d R . . C9 C 0.1661(3) 0.2553(3) 0.28183(16) 0.0618(7) Uani 1 1 d . . . H9A H 0.1323 0.2841 0.2347 0.093 Uiso 1 1 d R . . H9B H 0.0849 0.2613 0.3241 0.093 Uiso 1 1 d R . . H9C H 0.1914 0.1739 0.2907 0.093 Uiso 1 1 d R . . C10 C 0.3040(3) 0.3273(2) 0.27570(13) 0.0430(5) Uani 1 1 d . . . C11 C 0.5006(3) 0.4000(2) 0.29750(15) 0.0526(6) Uani 1 1 d . . . H11 H 0.5745 0.4118 0.3224 0.063 Uiso 1 1 d R . . C12 C 0.4922(3) 0.4650(2) 0.22529(15) 0.0555(7) Uani 1 1 d . . . H12 H 0.5582 0.5283 0.1914 0.067 Uiso 1 1 d R . . C13 C 0.1368(3) -0.0706(2) 0.43047(15) 0.0564(7) Uani 1 1 d . . . H13A H 0.0795 -0.1417 0.4369 0.085 Uiso 1 1 d R . . H13B H 0.2204 -0.0545 0.3852 0.085 Uiso 1 1 d R . . H13C H 0.0699 -0.0055 0.4248 0.085 Uiso 1 1 d R . . C14 C 0.1997(3) -0.0860(2) 0.49917(13) 0.0408(5) Uani 1 1 d . . . C15 C 0.2511(3) -0.1703(2) 0.61197(15) 0.0483(6) Uani 1 1 d . . . H15 H 0.2550 -0.2253 0.6592 0.058 Uiso 1 1 d R . . C16 C 0.3170(3) -0.0594(2) 0.58165(14) 0.0469(6) Uani 1 1 d . . . H16 H 0.3754 -0.0244 0.6047 0.056 Uiso 1 1 d R . . C17 C 1.4442(3) 0.8095(2) -0.12796(13) 0.0414(5) Uani 1 1 d . . . C18 C 1.5235(3) 0.8534(2) -0.08693(14) 0.0441(5) Uani 1 1 d . . . H18 H 1.5771 0.9269 -0.1080 0.053 Uiso 1 1 d R . . C19 C 1.5184(3) 0.7817(2) -0.01275(13) 0.0399(5) Uani 1 1 d . . . C20 C 1.4393(3) 0.6724(2) 0.01997(13) 0.0394(5) Uani 1 1 d . . . H20 H 1.4384 0.6269 0.0704 0.047 Uiso 1 1 d R . . C21 C 1.3610(2) 0.63140(18) -0.02348(12) 0.0360(5) Uani 1 1 d . . . C22 C 1.3633(3) 0.70078(19) -0.09815(13) 0.0394(5) Uani 1 1 d . . . H22 H 1.3111 0.6748 -0.1279 0.047 Uiso 1 1 d R . . C23 C 1.2697(3) 0.51222(19) 0.01147(14) 0.0421(5) Uani 1 1 d . . . C24 C 0.2778(3) 0.6891(2) 0.30009(13) 0.0439(5) Uani 1 1 d . . . C25 C 0.3666(3) 0.7323(2) 0.33679(14) 0.0465(6) Uani 1 1 d . . . H25 H 0.4235 0.8042 0.3131 0.056 Uiso 1 1 d R . . C26 C 0.3662(3) 0.66255(19) 0.41165(13) 0.0395(5) Uani 1 1 d . . . C27 C 0.2815(3) 0.55654(19) 0.44772(13) 0.0396(5) Uani 1 1 d . . . H27 H 0.2854 0.5115 0.4976 0.048 Uiso 1 1 d R . . C28 C 0.1901(3) 0.51707(18) 0.40910(12) 0.0369(5) Uani 1 1 d . . . C29 C 0.1895(3) 0.58389(19) 0.33406(13) 0.0412(5) Uani 1 1 d . . . H29 H 0.1307 0.5582 0.3068 0.049 Uiso 1 1 d R . . C30 C 0.0894(3) 0.40257(19) 0.44799(13) 0.0419(5) Uani 1 1 d . . . O1W O 0.9223(3) 0.4354(2) 0.16255(14) 0.0907(7) Uani 1 1 d . . . H1W H 1.0348 0.4459 0.1311 0.050 Uiso 1 1 d R . . H2W H 0.8766 0.4578 0.1275 0.050 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 0.06685(14) 0.03901(10) 0.03870(10) -0.00061(7) -0.01609(9) -0.01022(9) Ag2 0.06932(15) 0.04417(12) 0.05040(12) 0.00618(9) -0.02276(10) -0.01442(9) O1 0.205(3) 0.0945(19) 0.0715(16) 0.0331(14) -0.0543(19) -0.088(2) O2 0.116(2) 0.0862(16) 0.0519(12) 0.0051(11) -0.0438(13) -0.0185(14) O3 0.1062(17) 0.0613(13) 0.0832(15) -0.0119(11) -0.0399(13) -0.0426(12) O4 0.1051(17) 0.0752(14) 0.0642(13) -0.0069(11) -0.0488(12) -0.0301(12) O5 0.0694(12) 0.0516(10) 0.0445(10) 0.0050(8) -0.0223(8) -0.0246(9) O6 0.0803(13) 0.0443(10) 0.0551(10) -0.0040(8) -0.0303(10) -0.0272(9) O7 0.126(2) 0.0895(17) 0.0485(12) 0.0036(11) -0.0371(13) -0.0268(15) O8 0.273(4) 0.0628(16) 0.0796(18) 0.0306(13) -0.075(2) -0.067(2) O9 0.0769(14) 0.0588(12) 0.0890(15) -0.0248(11) -0.0254(11) -0.0255(10) O10 0.0850(15) 0.0685(13) 0.0734(14) -0.0232(11) -0.0457(12) -0.0034(11) O11 0.0909(15) 0.0470(10) 0.0458(10) 0.0081(8) -0.0302(10) -0.0216(10) O12 0.0716(12) 0.0423(9) 0.0517(10) -0.0021(8) -0.0269(9) -0.0196(8) N1 0.0598(13) 0.0458(11) 0.0324(10) -0.0030(8) -0.0153(9) -0.0087(10) N2 0.0666(14) 0.0562(13) 0.0387(11) 0.0013(10) -0.0240(10) -0.0047(11) N3 0.0453(11) 0.0310(9) 0.0394(10) -0.0083(8) -0.0123(8) -0.0056(8) N4 0.0520(12) 0.0354(10) 0.0471(11) -0.0110(8) -0.0141(9) -0.0111(8) N5 0.0527(12) 0.0394(10) 0.0404(10) -0.0027(8) -0.0188(9) -0.0068(9) N6 0.0556(13) 0.0504(12) 0.0349(10) -0.0011(9) -0.0169(9) -0.0065(10) N7 0.0450(11) 0.0367(10) 0.0446(11) -0.0066(8) -0.0120(8) -0.0066(8) N8 0.0479(12) 0.0350(10) 0.0495(11) -0.0070(9) -0.0103(9) -0.0087(8) N9 0.0543(13) 0.0513(12) 0.0573(13) -0.0161(11) -0.0205(10) -0.0159(10) N10 0.0870(18) 0.0421(12) 0.0448(12) 0.0023(10) -0.0220(12) -0.0111(11) N11 0.0482(12) 0.0494(12) 0.0609(14) -0.0234(11) -0.0184(10) -0.0025(10) N12 0.099(2) 0.0511(14) 0.0423(12) 0.0033(11) -0.0197(13) -0.0167(13) C1 0.114(3) 0.0602(18) 0.0511(16) -0.0220(14) -0.0337(17) 0.0035(18) C2 0.0509(15) 0.0502(14) 0.0369(12) -0.0065(11) -0.0137(10) -0.0005(11) C3 0.080(2) 0.0472(15) 0.0648(17) 0.0055(13) -0.0340(15) -0.0176(14) C4 0.080(2) 0.0476(14) 0.0533(15) -0.0035(12) -0.0296(14) -0.0180(13) C5 0.0723(19) 0.0608(16) 0.0523(15) -0.0161(13) -0.0298(14) -0.0105(14) C6 0.0440(13) 0.0363(11) 0.0404(12) -0.0119(9) -0.0126(10) -0.0033(9) C7 0.0586(15) 0.0346(11) 0.0397(12) -0.0062(9) -0.0139(11) -0.0062(10) C8 0.0514(14) 0.0345(11) 0.0382(11) -0.0116(9) -0.0150(10) -0.0072(10) C9 0.0654(18) 0.0672(18) 0.0526(15) -0.0106(13) -0.0228(13) -0.0185(14) C10 0.0498(14) 0.0424(12) 0.0351(11) -0.0082(10) -0.0121(10) -0.0020(10) C11 0.0551(16) 0.0450(13) 0.0561(15) -0.0021(11) -0.0279(12) -0.0105(11) C12 0.0558(16) 0.0497(14) 0.0521(15) 0.0006(12) -0.0174(12) -0.0135(12) C13 0.0634(17) 0.0569(16) 0.0527(15) -0.0164(13) -0.0219(13) -0.0041(13) C14 0.0387(12) 0.0386(12) 0.0425(12) -0.0094(10) -0.0093(10) -0.0011(10) C15 0.0508(15) 0.0406(13) 0.0474(13) -0.0033(10) -0.0140(11) -0.0046(11) C16 0.0505(14) 0.0415(12) 0.0469(13) -0.0070(10) -0.0172(11) -0.0068(11) C17 0.0479(13) 0.0353(11) 0.0370(11) -0.0041(9) -0.0122(10) -0.0033(10) C18 0.0463(13) 0.0348(11) 0.0474(13) -0.0063(10) -0.0119(10) -0.0100(10) C19 0.0392(12) 0.0397(12) 0.0428(12) -0.0114(10) -0.0153(10) -0.0078(9) C20 0.0419(12) 0.0384(11) 0.0368(11) -0.0067(9) -0.0135(9) -0.0082(9) C21 0.0374(12) 0.0320(10) 0.0387(11) -0.0086(9) -0.0122(9) -0.0067(9) C22 0.0433(13) 0.0375(11) 0.0379(11) -0.0094(9) -0.0138(9) -0.0041(9) C23 0.0427(13) 0.0347(11) 0.0464(13) -0.0040(10) -0.0167(10) -0.0095(9) C24 0.0576(15) 0.0370(12) 0.0323(11) -0.0042(9) -0.0103(10) -0.0048(10) C25 0.0528(15) 0.0348(12) 0.0456(13) -0.0082(10) -0.0048(11) -0.0101(10) C26 0.0419(13) 0.0366(11) 0.0431(12) -0.0157(10) -0.0113(10) -0.0027(9) C27 0.0449(13) 0.0378(11) 0.0361(11) -0.0089(9) -0.0134(9) 0.0015(10) C28 0.0434(12) 0.0313(10) 0.0355(11) -0.0078(9) -0.0121(9) -0.0020(9) C29 0.0512(14) 0.0355(11) 0.0371(11) -0.0095(9) -0.0134(10) -0.0030(10) C30 0.0533(14) 0.0335(11) 0.0351(11) -0.0051(9) -0.0100(10) -0.0098(10) O1W 0.0815(16) 0.110(2) 0.0774(15) -0.0150(14) -0.0331(13) -0.0033(14) _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 N3 2.1138(18) . ? Ag1 N1 2.1194(19) . ? Ag1 O3 3.186(2) 1_455 ? Ag1 O4 3.306(2) 1_455 ? Ag2 N7 2.1211(19) . ? Ag2 N5 2.1240(18) . ? Ag2 O11 3.281(2) . ? Ag2 O9 3.286(2) 2_666 ? Ag2 O10 3.347(2) 2_666 ? O1 N10 1.210(3) . ? O2 N10 1.197(3) . ? O3 N9 1.213(3) . ? O4 N9 1.216(3) . ? O5 C23 1.245(3) . ? O6 C23 1.246(3) . ? O7 N12 1.206(3) . ? O8 N12 1.198(3) . ? O9 N11 1.214(3) . ? O10 N11 1.220(3) . ? O11 C30 1.246(3) . ? O12 C30 1.244(3) . ? N1 C2 1.319(3) . ? N1 C4 1.379(3) . ? N2 C2 1.335(3) . ? N2 C3 1.358(4) . ? N2 H2 0.8600 . ? N3 C6 1.325(3) . ? N3 C8 1.392(3) . ? N4 C6 1.345(3) . ? N4 C7 1.364(3) . ? N4 H4 0.8600 . ? N5 C10 1.317(3) . ? N5 C11 1.374(3) . ? N6 C10 1.344(3) . ? N6 C12 1.365(3) . ? N6 H6 0.8600 . ? N7 C14 1.324(3) . ? N7 C16 1.389(3) . ? N8 C14 1.336(3) . ? N8 C15 1.370(3) . ? N8 H8 0.8600 . ? N9 C19 1.478(3) . ? N10 C17 1.476(3) . ? N11 C26 1.477(3) . ? N12 C24 1.472(3) . ? C1 C2 1.474(4) . ? C1 H1A 0.9599 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C3 C4 1.359(4) . ? C3 H3 0.9301 . ? C4 H4A 0.9299 . ? C5 C6 1.489(3) . ? C5 H5A 0.9599 . ? C5 H5B 0.9600 . ? C5 H5C 0.9599 . ? C7 C8 1.352(3) . ? C7 H7 0.9301 . ? C8 H8A 0.9300 . ? C9 C10 1.480(3) . ? C9 H9A 0.9599 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C11 C12 1.352(3) . ? C11 H11 0.9301 . ? C12 H12 0.9299 . ? C13 C14 1.484(3) . ? C13 H13A 0.9600 . ? C13 H13B 0.9600 . ? C13 H13C 0.9600 . ? C15 C16 1.349(3) . ? C15 H15 0.9301 . ? C16 H16 0.9299 . ? C17 C18 1.378(3) . ? C17 C22 1.383(3) . ? C18 C19 1.377(3) . ? C18 H18 0.9299 . ? C19 C20 1.382(3) . ? C20 C21 1.390(3) . ? C20 H20 0.9301 . ? C21 C22 1.381(3) . ? C21 C23 1.526(3) . ? C22 H22 0.9299 . ? C24 C25 1.368(3) . ? C24 C29 1.381(3) . ? C25 C26 1.389(3) . ? C25 H25 0.9300 . ? C26 C27 1.376(3) . ? C27 C28 1.388(3) . ? C27 H27 0.9299 . ? C28 C29 1.384(3) . ? C28 C30 1.525(3) . ? C29 H29 0.9299 . ? O1W H1W 1.0259 . ? O1W H2W 0.8257 . ? 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 N3 Ag1 N1 161.38(8) . . ? N3 Ag1 O3 80.25(6) . 1_455 ? N1 Ag1 O3 117.67(7) . 1_455 ? N3 Ag1 O4 118.54(6) . 1_455 ? N1 Ag1 O4 79.29(7) . 1_455 ? O3 Ag1 O4 38.38(5) 1_455 1_455 ? N7 Ag2 N5 159.94(8) . . ? N7 Ag2 O11 103.81(6) . . ? N5 Ag2 O11 85.79(6) . . ? N7 Ag2 O9 82.05(6) . 2_666 ? N5 Ag2 O9 117.83(6) . 2_666 ? O11 Ag2 O9 73.12(5) . 2_666 ? N7 Ag2 O10 119.74(7) . 2_666 ? N5 Ag2 O10 80.10(7) . 2_666 ? O11 Ag2 O10 67.96(5) . 2_666 ? O9 Ag2 O10 37.73(5) 2_666 2_666 ? C30 O11 Ag2 95.01(16) . . ? C2 N1 C4 106.5(2) . . ? C2 N1 Ag1 122.93(17) . . ? C4 N1 Ag1 129.77(16) . . ? C2 N2 C3 108.5(2) . . ? C2 N2 H2 125.8 . . ? C3 N2 H2 125.7 . . ? C6 N3 C8 105.89(18) . . ? C6 N3 Ag1 124.00(15) . . ? C8 N3 Ag1 129.80(14) . . ? C6 N4 C7 108.09(19) . . ? C6 N4 H4 125.9 . . ? C7 N4 H4 126.0 . . ? C10 N5 C11 106.27(19) . . ? C10 N5 Ag2 123.86(16) . . ? C11 N5 Ag2 129.18(15) . . ? C10 N6 C12 108.2(2) . . ? C10 N6 H6 125.8 . . ? C12 N6 H6 126.0 . . ? C14 N7 C16 105.88(19) . . ? C14 N7 Ag2 124.76(16) . . ? C16 N7 Ag2 129.36(16) . . ? C14 N8 C15 108.13(19) . . ? C14 N8 H8 125.9 . . ? C15 N8 H8 126.0 . . ? O3 N9 O4 123.2(2) . . ? O3 N9 C19 117.9(2) . . ? O4 N9 C19 118.8(2) . . ? O2 N10 O1 122.6(2) . . ? O2 N10 C17 119.3(2) . . ? O1 N10 C17 118.0(2) . . ? O9 N11 O10 123.7(2) . . ? O9 N11 C26 118.3(2) . . ? O10 N11 C26 118.0(2) . . ? O8 N12 O7 122.5(3) . . ? O8 N12 C24 118.4(3) . . ? O7 N12 C24 119.0(2) . . ? C2 C1 H1A 109.5 . . ? C2 C1 H1B 109.7 . . ? H1A C1 H1B 109.5 . . ? C2 C1 H1C 109.2 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? N1 C2 N2 110.3(2) . . ? N1 C2 C1 126.1(2) . . ? N2 C2 C1 123.6(2) . . ? N2 C3 C4 106.3(2) . . ? N2 C3 H3 126.8 . . ? C4 C3 H3 126.9 . . ? C3 C4 N1 108.5(2) . . ? C3 C4 H4A 125.7 . . ? N1 C4 H4A 125.8 . . ? C6 C5 H5A 109.5 . . ? C6 C5 H5B 109.4 . . ? H5A C5 H5B 109.5 . . ? C6 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? N3 C6 N4 110.5(2) . . ? N3 C6 C5 126.3(2) . . ? N4 C6 C5 123.2(2) . . ? C8 C7 N4 106.6(2) . . ? C8 C7 H7 126.7 . . ? N4 C7 H7 126.6 . . ? C7 C8 N3 108.91(19) . . ? C7 C8 H8A 125.6 . . ? N3 C8 H8A 125.5 . . ? C10 C9 H9A 109.4 . . ? C10 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C10 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? N5 C10 N6 110.2(2) . . ? N5 C10 C9 126.8(2) . . ? N6 C10 C9 122.9(2) . . ? C12 C11 N5 109.5(2) . . ? C12 C11 H11 125.4 . . ? N5 C11 H11 125.1 . . ? C11 C12 N6 105.8(2) . . ? C11 C12 H12 127.1 . . ? N6 C12 H12 127.1 . . ? C14 C13 H13A 109.6 . . ? C14 C13 H13B 109.4 . . ? H13A C13 H13B 109.5 . . ? C14 C13 H13C 109.4 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? N7 C14 N8 110.6(2) . . ? N7 C14 C13 126.2(2) . . ? N8 C14 C13 123.2(2) . . ? C16 C15 N8 106.3(2) . . ? C16 C15 H15 126.9 . . ? N8 C15 H15 126.8 . . ? C15 C16 N7 109.0(2) . . ? C15 C16 H16 125.6 . . ? N7 C16 H16 125.4 . . ? C18 C17 C22 123.4(2) . . ? C18 C17 N10 118.6(2) . . ? C22 C17 N10 117.9(2) . . ? C19 C18 C17 115.8(2) . . ? C19 C18 H18 122.0 . . ? C17 C18 H18 122.1 . . ? C18 C19 C20 123.2(2) . . ? C18 C19 N9 118.7(2) . . ? C20 C19 N9 118.1(2) . . ? C19 C20 C21 119.1(2) . . ? C19 C20 H20 120.4 . . ? C21 C20 H20 120.5 . . ? C22 C21 C20 119.4(2) . . ? C22 C21 C23 120.11(19) . . ? C20 C21 C23 120.44(19) . . ? C21 C22 C17 119.0(2) . . ? C21 C22 H22 120.4 . . ? C17 C22 H22 120.5 . . ? O5 C23 O6 126.0(2) . . ? O5 C23 C21 117.5(2) . . ? O6 C23 C21 116.4(2) . . ? C25 C24 C29 123.5(2) . . ? C25 C24 N12 118.9(2) . . ? C29 C24 N12 117.6(2) . . ? C24 C25 C26 116.0(2) . . ? C24 C25 H25 122.0 . . ? C26 C25 H25 122.0 . . ? C27 C26 C25 122.7(2) . . ? C27 C26 N11 118.8(2) . . ? C25 C26 N11 118.5(2) . . ? C26 C27 C28 119.5(2) . . ? C26 C27 H27 120.3 . . ? C28 C27 H27 120.2 . . ? C29 C28 C27 119.1(2) . . ? C29 C28 C30 119.5(2) . . ? C27 C28 C30 121.33(19) . . ? C24 C29 C28 119.1(2) . . ? C24 C29 H29 120.4 . . ? C28 C29 H29 120.5 . . ? O12 C30 O11 126.3(2) . . ? O12 C30 C28 116.04(19) . . ? O11 C30 C28 117.7(2) . . ? H1W O1W H2W 100.6 . . ? 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 N2 H2 O11 0.86 1.90 2.742(3) 165.9 2_666 N4 H4 O6 0.86 1.91 2.767(2) 171.7 1_565 N8 H8 O12 0.86 1.85 2.703(3) 173.3 2_556 O1W H1W O5 1.03 1.93 2.956(3) 174.0 . O1W H2W O6 0.83 2.06 2.880(3) 174.2 2_765 N6 H6 O5 0.86 1.92 2.768(3) 167.4 1_455 _diffrn_measured_fraction_theta_max 0.912 _diffrn_reflns_theta_full 30.01 _diffrn_measured_fraction_theta_full 0.912 _refine_diff_density_max 0.624 _refine_diff_density_min -0.429 _refine_diff_density_rms 0.064 #=================================================================END data_Complex 2 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C11 H8 Ag N5 O6' _chemical_formula_weight 414.09 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 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 P2(1)/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 9.038(6) _cell_length_b 6.373(3) _cell_length_c 23.946(16) _cell_angle_alpha 90.00 _cell_angle_beta 100.79(2) _cell_angle_gamma 90.00 _cell_volume 1354.9(14) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 25 _cell_measurement_theta_min 5 _cell_measurement_theta_max 12.5 _exptl_crystal_description Block _exptl_crystal_colour Pal yellow _exptl_crystal_size_max 0.6 _exptl_crystal_size_mid 0.4 _exptl_crystal_size_min 0.3 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.030 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 816 _exptl_absorpt_coefficient_mu 1.531 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.689 _exptl_absorpt_correction_T_max 0.757 _exptl_absorpt_process_details ? _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 'Siemens R3' _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 2556 _diffrn_reflns_av_R_equivalents 0.0342 _diffrn_reflns_av_sigmaI/netI 0.0784 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min -28 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 2.29 _diffrn_reflns_theta_max 25.01 _reflns_number_total 2396 _reflns_number_gt 1457 _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^)+(0.0464P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0016(4) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 2396 _refine_ls_number_parameters 191 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1035 _refine_ls_R_factor_gt 0.0494 _refine_ls_wR_factor_ref 0.1096 _refine_ls_wR_factor_gt 0.0927 _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 0.64622(7) 0.19503(8) 0.98994(2) 0.0466(2) Uani 1 1 d . . . O1 O 0.4745(5) 0.2974(7) 0.91284(18) 0.0410(12) Uani 1 1 d . . . O2 O 0.5071(6) 0.0121(8) 0.86276(18) 0.0519(15) Uani 1 1 d . . . O3 O 0.1676(5) 0.2919(9) 0.61924(19) 0.0571(15) Uani 1 1 d . . . O4 O 0.3078(6) 0.0356(9) 0.65550(19) 0.0580(16) Uani 1 1 d . . . O5 O 0.0902(6) 0.8848(8) 0.7347(2) 0.0607(16) Uani 1 1 d . . . O6 O 0.1388(6) 0.8501(9) 0.8261(3) 0.0689(18) Uani 1 1 d . . . N1 N 0.2492(6) 0.2057(11) 0.6591(2) 0.0434(15) Uani 1 1 d . . . N2 N 0.1453(7) 0.7915(11) 0.7781(3) 0.0489(16) Uani 1 1 d . . . C1 C 0.4609(7) 0.1922(12) 0.8675(3) 0.0337(16) Uani 1 1 d . . . C2 C 0.3736(7) 0.3037(11) 0.8152(2) 0.0301(15) Uani 1 1 d . . . C3 C 0.3583(4) 0.2099(7) 0.76160(15) 0.0319(15) Uani 1 1 d . . . H3A H 0.4056 0.0775 0.7574 0.080 Uiso 1 1 d R . . C4 C 0.2749(4) 0.3101(7) 0.71493(15) 0.0326(16) Uani 1 1 d R . . C5 C 0.2090(4) 0.5028(7) 0.71880(15) 0.0378(18) Uani 1 1 d R . . H5A H 0.1558 0.5735 0.6856 0.080 Uiso 1 1 d R . . C6 C 0.2237(7) 0.5921(11) 0.7719(3) 0.0353(17) Uani 1 1 d . . . C7 C 0.3059(3) 0.4958(5) 0.82033(12) 0.0293(16) Uani 1 1 d . . . H7A H 0.3148 0.5613 0.8569 0.080 Uiso 1 1 d R . . C8 C 0.8908(3) 0.5254(5) 1.05225(12) 0.044(2) Uani 1 1 d R . . H8A H 0.9352 0.3942 1.0662 0.080 Uiso 1 1 d R . . C9 C 0.9623(3) 0.7068(5) 1.07318(12) 0.052(2) Uani 1 1 d R . . H9A H 1.0543 0.7051 1.1007 0.080 Uiso 1 1 d R . . C10 C 0.8947(3) 0.8890(5) 1.05227(12) 0.045(2) Uani 1 1 d R . . H10A H 0.9397 1.0197 1.0664 0.080 Uiso 1 1 d R . . C11 C 0.7071(3) 0.7089(5) 0.99414(12) 0.0286(15) Uani 1 1 d R . . N3 N 0.7648(6) 0.5218(8) 1.0137(2) 0.0339(14) Uani 1 1 d . . . N4 N 0.7664(6) 0.8950(9) 1.0124(2) 0.0318(14) Uani 1 1 d . . . N5 N 0.5753(5) 0.7115(8) 0.95534(19) 0.0301(13) Uani 1 1 d . . . H5B H 0.5645 0.7999 0.9257 0.100 Uiso 1 1 d R . . H5C H 0.5431 0.5949 0.9285 0.100 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 0.0553(4) 0.0261(3) 0.0497(4) 0.0005(3) -0.0122(3) 0.0050(3) O1 0.052(3) 0.037(3) 0.030(2) 0.000(2) -0.005(2) 0.003(3) O2 0.081(4) 0.035(3) 0.035(3) 0.003(2) -0.002(3) 0.019(3) O3 0.044(3) 0.092(4) 0.029(3) 0.005(3) -0.008(2) 0.015(3) O4 0.075(4) 0.061(4) 0.037(3) -0.011(3) 0.006(3) 0.018(3) O5 0.058(4) 0.048(3) 0.074(4) 0.019(3) 0.005(3) 0.021(3) O6 0.077(4) 0.062(4) 0.064(4) -0.012(3) 0.002(3) 0.024(3) N1 0.036(4) 0.062(4) 0.033(3) -0.002(4) 0.009(3) 0.001(4) N2 0.036(4) 0.046(4) 0.064(4) 0.002(4) 0.006(3) 0.003(4) C1 0.037(4) 0.034(4) 0.028(4) 0.001(4) 0.000(3) 0.001(4) C2 0.024(3) 0.037(4) 0.028(3) 0.005(3) 0.001(3) -0.004(4) C3 0.028(3) 0.032(4) 0.036(4) -0.006(3) 0.007(3) 0.001(4) C4 0.033(4) 0.039(4) 0.024(3) -0.002(3) -0.001(3) 0.001(4) C5 0.032(4) 0.049(5) 0.031(4) 0.008(3) 0.001(3) -0.008(4) C6 0.029(4) 0.034(4) 0.041(4) 0.001(3) 0.004(3) -0.001(4) C7 0.027(4) 0.025(4) 0.033(4) -0.002(3) -0.001(3) 0.003(3) C8 0.043(5) 0.025(4) 0.057(5) 0.004(4) -0.012(4) 0.006(4) C9 0.042(4) 0.032(4) 0.068(5) -0.004(4) -0.026(4) 0.004(4) C10 0.047(5) 0.030(4) 0.051(5) -0.002(4) -0.007(4) -0.004(4) C11 0.022(3) 0.026(3) 0.035(4) 0.001(3) -0.001(3) -0.002(3) N3 0.034(4) 0.021(3) 0.042(3) 0.001(3) -0.005(3) 0.009(3) N4 0.037(3) 0.022(3) 0.032(3) 0.004(3) -0.004(3) -0.002(3) N5 0.034(3) 0.026(3) 0.026(3) 0.003(3) -0.004(2) -0.005(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 N4 2.215(6) 1_545 ? Ag1 O1 2.274(4) . ? Ag1 N3 2.363(5) . ? Ag1 N5 2.658(5) 3_667 ? O1 C1 1.262(8) . ? O2 C1 1.234(8) . ? O3 N1 1.222(7) . ? O4 N1 1.217(7) . ? O5 N2 1.220(7) . ? O6 N2 1.220(8) . ? N1 C4 1.471(7) . ? N2 C6 1.476(9) . ? C1 C2 1.526(8) . ? C2 C7 1.384(7) . ? C2 C3 1.399(7) . ? C3 C4 1.3817 . ? C4 C5 1.3758 . ? C5 C6 1.376(7) . ? C6 C7 1.397(7) . ? C8 N3 1.325(6) . ? C8 C9 1.3723 . ? C9 C10 1.3630 . ? C10 N4 1.357(5) . ? C11 N4 1.341(6) . ? C11 N3 1.350(6) . ? C11 N5 1.367(5) . ? N4 Ag1 2.215(5) 1_565 ? 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 N4 Ag1 O1 132.37(18) 1_545 . ? N4 Ag1 N3 121.50(17) 1_545 . ? O1 Ag1 N3 98.79(18) . . ? N4 Ag1 N5 117.03(18) 1_545 3_667 ? O1 Ag1 N5 82.71(16) . 3_667 ? N3 Ag1 N5 91.91(18) . 3_667 ? C1 O1 Ag1 119.2(4) . . ? O4 N1 O3 123.4(6) . . ? O4 N1 C4 118.1(5) . . ? O3 N1 C4 118.4(6) . . ? O6 N2 O5 124.7(7) . . ? O6 N2 C6 117.9(6) . . ? O5 N2 C6 117.4(6) . . ? O2 C1 O1 126.4(6) . . ? O2 C1 C2 119.3(6) . . ? O1 C1 C2 114.3(6) . . ? C7 C2 C3 119.4(5) . . ? C7 C2 C1 120.5(5) . . ? C3 C2 C1 120.1(6) . . ? C4 C3 C2 119.3(3) . . ? C5 C4 C3 122.4 . . ? C5 C4 N1 117.9(3) . . ? C3 C4 N1 119.7(3) . . ? C4 C5 C6 117.6(3) . . ? C5 C6 C7 122.0(6) . . ? C5 C6 N2 119.0(6) . . ? C7 C6 N2 119.0(5) . . ? C2 C7 C6 119.3(4) . . ? N3 C8 C9 123.6(3) . . ? C10 C9 C8 115.8 . . ? N4 C10 C9 123.2(3) . . ? N4 C11 N3 124.3(3) . . ? N4 C11 N5 117.1(4) . . ? N3 C11 N5 118.6(4) . . ? C8 N3 C11 116.9(4) . . ? C8 N3 Ag1 118.4(3) . . ? C11 N3 Ag1 124.5(3) . . ? C11 N4 C10 116.2(4) . . ? C11 N4 Ag1 122.4(3) . 1_565 ? C10 N4 Ag1 120.7(3) . 1_565 ? 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 C8 H8A O3 0.96 2.54 3.379(6) 146.5 4_666 C10 H10A O3 0.96 2.51 3.363(6) 147.7 4_676 _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.01 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.700 _refine_diff_density_min -0.535 _refine_diff_density_rms 0.140 #========================================================END