# Supplementary Material (ESI) for Dalton Transactions # This journal is (c) The Royal Society of Chemistry 2009 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_name 'Leonard Lindoy' _publ_contact_author_email LINDOY@GMAIL.COM loop_ _publ_author_name L.Lindoy J.J.Clegg J.R.Reimers Z.Tao G.Wei Q.-L.Zhang ; Y.-Q.Zhang ; B.-X.Zhu data_p _database_code_depnum_ccdc_archive 'CCDC 655814' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C16 H26 Ag N3 O5' _chemical_formula_sum 'C16 H26 Ag N3 O5' _chemical_formula_weight 448.27 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 'P 21/n' _symmetry_space_group_name_Hall '-P 2yn' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 9.2127(5) _cell_length_b 14.0792(7) _cell_length_c 14.6593(8) _cell_angle_alpha 90.00 _cell_angle_beta 100.501(2) _cell_angle_gamma 90.00 _cell_volume 1869.57(17) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 3648 _cell_measurement_theta_min 2.02 _cell_measurement_theta_max 26.00 _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.21 _exptl_crystal_size_min 0.16 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.593 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 920 _exptl_absorpt_coefficient_mu 1.109 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7691 _exptl_absorpt_correction_T_max 0.8426 _exptl_absorpt_process_details 'SADABS (Bruker, 2005)' _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 'Bruker Smart Apex 2 CCD Area Detector' _diffrn_measurement_method '\f and \w scan' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_decay_% ? _diffrn_reflns_number 20564 _diffrn_reflns_av_R_equivalents 0.0231 _diffrn_reflns_av_sigmaI/netI 0.0176 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 2.02 _diffrn_reflns_theta_max 26.00 _reflns_number_total 3648 _reflns_number_gt 3325 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART (Bruker, 2002)' _computing_cell_refinement 'SAINT (Bruker, 2002)' _computing_data_reduction 'SAINT (Bruker, 2002)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Ortep-3 for Windows (Farrugia, 1997)' _computing_publication_material 'WinGX (Farrugia, 1999)' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0419P)^2^+2.2212P] 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 3648 _refine_ls_number_parameters 226 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0350 _refine_ls_R_factor_gt 0.0318 _refine_ls_wR_factor_ref 0.0848 _refine_ls_wR_factor_gt 0.0830 _refine_ls_goodness_of_fit_ref 1.046 _refine_ls_restrained_S_all 1.046 _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 C1 C 0.2557(3) -0.0649(2) 0.0706(2) 0.0480(7) Uani 1 1 d . . . H1A H 0.1940 -0.0486 0.0126 0.072 Uiso 1 1 calc R . . H1B H 0.2702 -0.0098 0.1098 0.072 Uiso 1 1 calc R . . H1C H 0.2093 -0.1140 0.1004 0.072 Uiso 1 1 calc R . . C2 C 0.4029(3) -0.09961(17) 0.05304(18) 0.0290(5) Uani 1 1 d . . . C3 C 0.5106(3) -0.12758(17) 0.13109(16) 0.0288(5) Uani 1 1 d . . . H3 H 0.4923 -0.1140 0.1900 0.035 Uiso 1 1 calc R . . C4 C 0.6431(3) -0.17455(16) 0.12397(16) 0.0254(5) Uani 1 1 d . . . C5 C 0.7374(3) -0.2128(2) 0.21044(18) 0.0373(6) Uani 1 1 d . . . H5A H 0.8231 -0.2430 0.1949 0.056 Uiso 1 1 calc R . . H5B H 0.6819 -0.2582 0.2388 0.056 Uiso 1 1 calc R . . H5C H 0.7675 -0.1616 0.2529 0.056 Uiso 1 1 calc R . . C6 C 0.8049(2) -0.24627(17) 0.02247(16) 0.0261(5) Uani 1 1 d . . . H6 H 0.8712 -0.2607 0.0811 0.031 Uiso 1 1 calc R . . C7 C 0.8930(3) -0.19451(19) -0.0411(2) 0.0364(6) Uani 1 1 d . . . H7A H 0.9349 -0.1368 -0.0111 0.044 Uiso 1 1 calc R . . H7B H 0.8279 -0.1770 -0.0983 0.044 Uiso 1 1 calc R . . C8 C 1.0170(3) -0.2584(2) -0.0628(2) 0.0446(7) Uani 1 1 d . . . H8A H 1.0702 -0.2256 -0.1047 0.053 Uiso 1 1 calc R . . H8B H 1.0859 -0.2720 -0.0060 0.053 Uiso 1 1 calc R . . C9 C 0.9548(3) -0.3510(2) -0.1071(2) 0.0425(7) Uani 1 1 d . . . H9A H 1.0351 -0.3912 -0.1185 0.051 Uiso 1 1 calc R . . H9B H 0.8917 -0.3377 -0.1662 0.051 Uiso 1 1 calc R . . C10 C 0.8661(3) -0.40318(19) -0.04426(19) 0.0338(6) Uani 1 1 d . . . H10A H 0.9311 -0.4211 0.0129 0.041 Uiso 1 1 calc R . . H10B H 0.8247 -0.4608 -0.0748 0.041 Uiso 1 1 calc R . . C11 C 0.7415(2) -0.34057(17) -0.02180(16) 0.0261(5) Uani 1 1 d . . . H11 H 0.6714 -0.3270 -0.0791 0.031 Uiso 1 1 calc R . . C12 C 0.4136(3) -0.3496(2) -0.0340(2) 0.0382(6) Uani 1 1 d . . . H12A H 0.4659 -0.3295 -0.0816 0.057 Uiso 1 1 calc R . . H12B H 0.3616 -0.2966 -0.0142 0.057 Uiso 1 1 calc R . . H12C H 0.3444 -0.3985 -0.0579 0.057 Uiso 1 1 calc R . . C13 C 0.5213(3) -0.38758(17) 0.04703(18) 0.0286(5) Uani 1 1 d . . . C14 C 0.4705(3) -0.42106(19) 0.1248(2) 0.0350(6) Uani 1 1 d . . . H14 H 0.3694 -0.4190 0.1242 0.042 Uiso 1 1 calc R . . C15 C 0.5617(3) -0.45762(19) 0.2039(2) 0.0373(6) Uani 1 1 d . . . C16 C 0.4925(5) -0.4889(3) 0.2845(3) 0.0636(10) Uani 1 1 d . . . H16A H 0.5679 -0.5122 0.3334 0.095 Uiso 1 1 calc R . . H16B H 0.4223 -0.5385 0.2647 0.095 Uiso 1 1 calc R . . H16C H 0.4433 -0.4360 0.3068 0.095 Uiso 1 1 calc R . . N1 N 0.6850(2) -0.18629(14) 0.04229(13) 0.0256(4) Uani 1 1 d . . . H1 H 0.6361 -0.1552 -0.0037 0.031 Uiso 1 1 calc R . . N2 N 0.6649(2) -0.38976(14) 0.04325(14) 0.0265(4) Uani 1 1 d . . . H2 H 0.7191 -0.4245 0.0842 0.032 Uiso 1 1 calc R . . N3 N 0.4153(3) 0.16734(19) 0.26161(16) 0.0428(6) Uani 1 1 d . . . O1 O 0.4258(2) -0.10405(13) -0.02839(12) 0.0344(4) Uani 1 1 d . . . O2 O 0.6999(2) -0.46737(14) 0.20948(14) 0.0408(5) Uani 1 1 d . . . O3 O 0.4459(5) 0.0959(3) 0.3084(2) 0.0996(11) Uani 1 1 d . . . O4 O 0.4505(3) 0.17004(18) 0.18385(15) 0.0568(6) Uani 1 1 d . . . O5 O 0.3585(4) 0.2369(3) 0.2913(2) 0.0963(11) Uani 1 1 d . . . Ag1 Ag 0.59912(3) 0.027351(16) 0.175344(14) 0.04429(10) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.0335(15) 0.0516(18) 0.0615(19) -0.0058(15) 0.0158(14) 0.0097(13) C2 0.0307(12) 0.0230(11) 0.0348(13) -0.0035(10) 0.0099(10) 0.0012(10) C3 0.0389(13) 0.0272(12) 0.0233(11) -0.0015(9) 0.0138(10) 0.0033(10) C4 0.0320(12) 0.0197(10) 0.0246(11) -0.0009(9) 0.0055(9) -0.0002(9) C5 0.0495(16) 0.0369(14) 0.0240(12) 0.0001(11) 0.0025(11) 0.0095(12) C6 0.0220(11) 0.0287(12) 0.0277(11) 0.0014(10) 0.0049(9) 0.0059(9) C7 0.0304(13) 0.0343(14) 0.0482(16) 0.0044(12) 0.0167(12) 0.0025(11) C8 0.0339(14) 0.0450(16) 0.0617(19) 0.0041(14) 0.0270(14) 0.0047(13) C9 0.0411(15) 0.0484(17) 0.0434(16) -0.0025(13) 0.0218(13) 0.0103(13) C10 0.0344(13) 0.0313(13) 0.0375(14) -0.0051(11) 0.0111(11) 0.0066(11) C11 0.0244(11) 0.0306(12) 0.0238(11) 0.0003(9) 0.0052(9) 0.0043(10) C12 0.0259(13) 0.0372(14) 0.0483(16) -0.0016(12) -0.0013(11) 0.0024(11) C13 0.0251(12) 0.0227(11) 0.0373(13) -0.0076(10) 0.0036(10) 0.0003(9) C14 0.0272(12) 0.0340(13) 0.0466(15) -0.0059(12) 0.0142(11) -0.0049(11) C15 0.0478(16) 0.0321(13) 0.0356(14) -0.0063(11) 0.0168(12) -0.0093(12) C16 0.081(3) 0.069(2) 0.051(2) 0.0050(18) 0.039(2) -0.007(2) N1 0.0257(10) 0.0272(10) 0.0243(9) 0.0010(8) 0.0052(8) 0.0056(8) N2 0.0231(10) 0.0289(10) 0.0271(10) 0.0015(8) 0.0030(8) 0.0035(8) N3 0.0381(13) 0.0544(15) 0.0340(12) -0.0108(11) 0.0016(10) 0.0056(11) O1 0.0397(10) 0.0350(10) 0.0277(9) 0.0002(7) 0.0040(7) 0.0092(8) O2 0.0406(11) 0.0512(12) 0.0289(10) 0.0053(8) 0.0021(8) -0.0052(9) O3 0.151(3) 0.084(2) 0.0670(19) 0.0318(17) 0.028(2) 0.023(2) O4 0.0650(15) 0.0668(15) 0.0406(12) 0.0041(11) 0.0147(10) 0.0142(12) O5 0.091(2) 0.111(3) 0.085(2) -0.045(2) 0.0108(17) 0.046(2) Ag1 0.06039(17) 0.03710(14) 0.03086(14) -0.00520(8) -0.00370(10) 0.00980(10) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C2 1.506(3) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 O1 1.251(3) . ? C2 C3 1.426(4) . ? C3 C4 1.409(3) . ? C3 Ag1 2.377(2) . ? C3 H3 0.9300 . ? C4 N1 1.334(3) . ? C4 C5 1.500(3) . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? C6 N1 1.461(3) . ? C6 C7 1.527(3) . ? C6 C11 1.545(3) . ? C6 H6 0.9800 . ? C7 C8 1.533(4) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C8 C9 1.521(4) . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? C9 C10 1.526(4) . ? C9 H9A 0.9700 . ? C9 H9B 0.9700 . ? C10 C11 1.530(3) . ? C10 H10A 0.9700 . ? C10 H10B 0.9700 . ? C11 N2 1.460(3) . ? C11 H11 0.9800 . ? C12 C13 1.500(4) . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? C13 N2 1.335(3) . ? C13 C14 1.391(4) . ? C14 C15 1.400(4) . ? C14 H14 0.9300 . ? C15 O2 1.268(4) . ? C15 C16 1.507(4) . ? C16 H16A 0.9600 . ? C16 H16B 0.9600 . ? C16 H16C 0.9600 . ? N1 H1 0.8600 . ? N2 H2 0.8600 . ? N3 O3 1.221(4) . ? N3 O5 1.227(4) . ? N3 O4 1.241(3) . ? O1 Ag1 2.3831(18) 3_655 ? O2 Ag1 2.268(2) 2_645 ? O4 Ag1 2.447(2) . ? Ag1 O2 2.268(2) 2_655 ? Ag1 O1 2.3831(18) 3_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 C2 C1 H1A 109.5 . . ? C2 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? C2 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? O1 C2 C3 122.5(2) . . ? O1 C2 C1 119.5(2) . . ? C3 C2 C1 118.0(2) . . ? C4 C3 C2 123.8(2) . . ? C4 C3 Ag1 101.07(16) . . ? C2 C3 Ag1 96.87(15) . . ? C4 C3 H3 118.1 . . ? C2 C3 H3 118.1 . . ? Ag1 C3 H3 70.7 . . ? N1 C4 C3 121.4(2) . . ? N1 C4 C5 119.8(2) . . ? C3 C4 C5 118.8(2) . . ? C4 C5 H5A 109.5 . . ? C4 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? C4 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? N1 C6 C7 110.5(2) . . ? N1 C6 C11 109.76(18) . . ? C7 C6 C11 110.9(2) . . ? N1 C6 H6 108.5 . . ? C7 C6 H6 108.5 . . ? C11 C6 H6 108.5 . . ? C6 C7 C8 110.2(2) . . ? C6 C7 H7A 109.6 . . ? C8 C7 H7A 109.6 . . ? C6 C7 H7B 109.6 . . ? C8 C7 H7B 109.6 . . ? H7A C7 H7B 108.1 . . ? C9 C8 C7 110.8(2) . . ? C9 C8 H8A 109.5 . . ? C7 C8 H8A 109.5 . . ? C9 C8 H8B 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 108.1 . . ? C8 C9 C10 110.9(2) . . ? C8 C9 H9A 109.5 . . ? C10 C9 H9A 109.5 . . ? C8 C9 H9B 109.5 . . ? C10 C9 H9B 109.5 . . ? H9A C9 H9B 108.1 . . ? C9 C10 C11 111.0(2) . . ? C9 C10 H10A 109.4 . . ? C11 C10 H10A 109.4 . . ? C9 C10 H10B 109.4 . . ? C11 C10 H10B 109.4 . . ? H10A C10 H10B 108.0 . . ? N2 C11 C10 109.8(2) . . ? N2 C11 C6 108.91(18) . . ? C10 C11 C6 110.11(19) . . ? N2 C11 H11 109.3 . . ? C10 C11 H11 109.3 . . ? C6 C11 H11 109.3 . . ? C13 C12 H12A 109.5 . . ? C13 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C13 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? N2 C13 C14 120.7(2) . . ? N2 C13 C12 119.5(2) . . ? C14 C13 C12 119.8(2) . . ? C13 C14 C15 124.2(2) . . ? C13 C14 H14 117.9 . . ? C15 C14 H14 117.9 . . ? O2 C15 C14 122.5(2) . . ? O2 C15 C16 118.7(3) . . ? C14 C15 C16 118.7(3) . . ? C15 C16 H16A 109.5 . . ? C15 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? C15 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C4 N1 C6 127.1(2) . . ? C4 N1 H1 116.4 . . ? C6 N1 H1 116.4 . . ? C13 N2 C11 128.1(2) . . ? C13 N2 H2 116.0 . . ? C11 N2 H2 116.0 . . ? O3 N3 O5 121.9(3) . . ? O3 N3 O4 118.0(3) . . ? O5 N3 O4 120.1(3) . . ? C2 O1 Ag1 146.57(16) . 3_655 ? C15 O2 Ag1 136.51(18) . 2_645 ? N3 O4 Ag1 105.29(18) . . ? O2 Ag1 C3 115.22(8) 2_655 . ? O2 Ag1 O1 126.10(7) 2_655 3_655 ? C3 Ag1 O1 101.38(7) . 3_655 ? O2 Ag1 O4 108.88(8) 2_655 . ? C3 Ag1 O4 126.85(9) . . ? O1 Ag1 O4 73.23(7) 3_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 C2 C3 C4 -9.1(4) . . . . ? C1 C2 C3 C4 170.0(2) . . . . ? O1 C2 C3 Ag1 99.1(2) . . . . ? C1 C2 C3 Ag1 -81.7(2) . . . . ? C2 C3 C4 N1 8.0(4) . . . . ? Ag1 C3 C4 N1 -98.1(2) . . . . ? C2 C3 C4 C5 -171.3(2) . . . . ? Ag1 C3 C4 C5 82.6(2) . . . . ? N1 C6 C7 C8 -179.1(2) . . . . ? C11 C6 C7 C8 -57.1(3) . . . . ? C6 C7 C8 C9 57.4(3) . . . . ? C7 C8 C9 C10 -57.4(3) . . . . ? C8 C9 C10 C11 57.1(3) . . . . ? C9 C10 C11 N2 -176.2(2) . . . . ? C9 C10 C11 C6 -56.3(3) . . . . ? N1 C6 C11 N2 -60.5(2) . . . . ? C7 C6 C11 N2 177.10(19) . . . . ? N1 C6 C11 C10 179.08(19) . . . . ? C7 C6 C11 C10 56.7(3) . . . . ? N2 C13 C14 C15 0.8(4) . . . . ? C12 C13 C14 C15 -179.9(2) . . . . ? C13 C14 C15 O2 -3.3(4) . . . . ? C13 C14 C15 C16 178.3(3) . . . . ? C3 C4 N1 C6 -169.1(2) . . . . ? C5 C4 N1 C6 10.3(4) . . . . ? C7 C6 N1 C4 -137.4(2) . . . . ? C11 C6 N1 C4 100.0(3) . . . . ? C14 C13 N2 C11 -165.7(2) . . . . ? C12 C13 N2 C11 15.0(4) . . . . ? C10 C11 N2 C13 -144.4(2) . . . . ? C6 C11 N2 C13 95.0(3) . . . . ? C3 C2 O1 Ag1 -137.0(2) . . . 3_655 ? C1 C2 O1 Ag1 43.8(4) . . . 3_655 ? C14 C15 O2 Ag1 154.5(2) . . . 2_645 ? C16 C15 O2 Ag1 -27.1(4) . . . 2_645 ? O3 N3 O4 Ag1 -7.2(4) . . . . ? O5 N3 O4 Ag1 169.2(3) . . . . ? C4 C3 Ag1 O2 -46.41(17) . . . 2_655 ? C2 C3 Ag1 O2 -172.84(13) . . . 2_655 ? C4 C3 Ag1 O1 92.98(15) . . . 3_655 ? C2 C3 Ag1 O1 -33.45(15) . . . 3_655 ? C4 C3 Ag1 O4 170.44(13) . . . . ? C2 C3 Ag1 O4 44.02(17) . . . . ? N3 O4 Ag1 O2 -60.2(2) . . . 2_655 ? N3 O4 Ag1 C3 84.8(2) . . . . ? N3 O4 Ag1 O1 176.6(2) . . . 3_655 ? _diffrn_measured_fraction_theta_max 0.993 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.993 _refine_diff_density_max 0.520 _refine_diff_density_min -0.662 _refine_diff_density_rms 0.074 # Attachment 'Ag_Complex_2_.CIF' data_p2 _database_code_depnum_ccdc_archive 'CCDC 715786' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ' C48 H84 Ag3 N6 O9, 3(N O3), 4.25(H2 O)' _chemical_formula_sum ' C48 H92.5 Ag3 N9 O22.25' _chemical_formula_weight 1475.40 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 Trigonal _symmetry_space_group_name_H-M R32 _symmetry_space_group_name_Hall 'R 3 2"' _Intl_tables_Symmetry_number 155 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'x-y, -y, -z' '-x, -x+y, -z' 'y, x, -z' 'x+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' 'x-y+2/3, -y+1/3, -z+1/3' '-x+2/3, -x+y+1/3, -z+1/3' 'y+2/3, x+1/3, -z+1/3' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' 'x-y+1/3, -y+2/3, -z+2/3' '-x+1/3, -x+y+2/3, -z+2/3' 'y+1/3, x+2/3, -z+2/3' _cell_length_a 15.9158(13) _cell_length_b 15.9158(13) _cell_length_c 43.304(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_volume 9499.9(12) _cell_formula_units_Z 6 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 4152 _cell_measurement_theta_min 1.41 _cell_measurement_theta_max 26.0 _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.26 _exptl_crystal_size_mid 0.21 _exptl_crystal_size_min 0.18 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.554 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4611 _exptl_absorpt_coefficient_mu 0.997 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7802 _exptl_absorpt_correction_T_max 0.8399 _exptl_absorpt_process_details 'SADABS (Bruker, 2005)' _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 'Bruker Smart Apex 2' _diffrn_measurement_method '\f and \w scan' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_decay_% ? _diffrn_reflns_number 36698 _diffrn_reflns_av_R_equivalents 0.0427 _diffrn_reflns_av_sigmaI/netI 0.0209 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -53 _diffrn_reflns_limit_l_max 51 _diffrn_reflns_theta_min 1.41 _diffrn_reflns_theta_max 27.52 _reflns_number_total 4791 _reflns_number_gt 4658 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART (Bruker, 2002)' _computing_cell_refinement 'SAINT (Bruker, 2002)' _computing_data_reduction 'SAINT (Bruker, 2002)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Ortep-3 for Windows (Farrugia, 1997)' _computing_publication_material 'WinGX (Farrugia, 1999)' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0664P)^2^+14.5782P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.01(3) _chemical_absolute_configuration rm _refine_ls_number_reflns 4791 _refine_ls_number_parameters 261 _refine_ls_number_restraints 14 _refine_ls_R_factor_all 0.0351 _refine_ls_R_factor_gt 0.0340 _refine_ls_wR_factor_ref 0.0965 _refine_ls_wR_factor_gt 0.0953 _refine_ls_goodness_of_fit_ref 1.083 _refine_ls_restrained_S_all 1.134 _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 C1 C 0.5959(3) 0.0078(3) 0.80024(11) 0.0467(10) Uani 1 1 d . . . H1A H 0.5963 -0.0320 0.8169 0.070 Uiso 1 1 calc R . . H1B H 0.6377 0.0749 0.8053 0.070 Uiso 1 1 calc R . . H1C H 0.6187 -0.0074 0.7817 0.070 Uiso 1 1 calc R . . C2 C 0.4933(3) -0.0115(3) 0.79525(8) 0.0334(7) Uani 1 1 d . . . C3 C 0.4793(2) 0.0703(2) 0.79374(8) 0.0288(6) Uani 1 1 d . A . H3 H 0.5333 0.1321 0.7951 0.035 Uiso 1 1 calc R . . C4 C 0.3874(2) 0.0616(2) 0.79024(7) 0.0269(6) Uani 1 1 d . . . C5 C 0.3806(2) 0.1525(2) 0.79048(8) 0.0328(7) Uani 1 1 d . . . H5A H 0.3653 0.1646 0.7701 0.049 Uiso 1 1 calc R . . H5B H 0.4416 0.2064 0.7969 0.049 Uiso 1 1 calc R . . H5C H 0.3307 0.1448 0.8046 0.049 Uiso 1 1 calc R . . C6 C 0.2121(2) -0.0435(2) 0.77719(7) 0.0266(6) Uani 1 1 d . . . H6 H 0.2110 0.0175 0.7780 0.032 Uiso 1 1 calc R . . C7 C 0.1325(2) -0.1174(3) 0.79806(8) 0.0323(7) Uani 1 1 d . . . H7A H 0.1423 -0.0921 0.8189 0.039 Uiso 1 1 calc R . . H7B H 0.1358 -0.1766 0.7985 0.039 Uiso 1 1 calc R . . C8 C 0.0322(2) -0.1400(3) 0.78657(9) 0.0374(8) Uani 1 1 d . . . H8A H -0.0176 -0.1892 0.7996 0.045 Uiso 1 1 calc R . . H8B H 0.0268 -0.0820 0.7878 0.045 Uiso 1 1 calc R . . C9 C 0.0168(2) -0.1760(3) 0.75319(10) 0.0379(8) Uani 1 1 d . . . H9A H 0.0171 -0.2367 0.7523 0.046 Uiso 1 1 calc R . . H9B H -0.0459 -0.1878 0.7460 0.046 Uiso 1 1 calc R . . C10 C 0.0963(2) -0.1016(3) 0.73217(8) 0.0336(7) Uani 1 1 d . . . H10A H 0.0930 -0.0423 0.7319 0.040 Uiso 1 1 calc R . . H10B H 0.0862 -0.1267 0.7113 0.040 Uiso 1 1 calc R . . C11 C 0.1969(2) -0.0792(2) 0.74359(8) 0.0286(6) Uani 1 1 d . . . H11 H 0.2011 -0.1385 0.7425 0.034 Uiso 1 1 calc R . . C12 C 0.3481(3) -0.1011(3) 0.71094(11) 0.0457(9) Uani 1 1 d . . . H12A H 0.3558 -0.1182 0.7316 0.069 Uiso 1 1 calc R . . H12B H 0.4010 -0.0940 0.6984 0.069 Uiso 1 1 calc R . . H12C H 0.2880 -0.1513 0.7025 0.069 Uiso 1 1 calc R . . C13 C 0.3474(2) -0.0083(2) 0.71149(7) 0.0319(6) Uani 1 1 d . . . C14 C 0.4234(2) 0.0762(3) 0.69748(8) 0.0342(7) Uani 1 1 d . A . H14 H 0.4764 0.0735 0.6897 0.041 Uiso 1 1 calc R . . C15 C 0.4224(2) 0.1652(3) 0.69481(8) 0.0330(7) Uani 1 1 d . . . C16 C 0.4994(3) 0.2456(3) 0.67516(8) 0.0436(9) Uani 1 1 d . . . H16A H 0.4688 0.2615 0.6589 0.065 Uiso 1 1 calc R . . H16B H 0.5411 0.2245 0.6664 0.065 Uiso 1 1 calc R . . H16C H 0.5370 0.3019 0.6877 0.065 Uiso 1 1 calc R . . N1 N 0.27308(19) -0.0046(2) 0.72441(6) 0.0303(6) Uani 1 1 d . . . H1 H 0.2698 0.0470 0.7211 0.036 Uiso 1 1 calc R . . N2 N 0.30798(18) -0.0251(2) 0.78716(6) 0.0271(5) Uani 1 1 d . . . H2 H 0.3134 -0.0750 0.7914 0.033 Uiso 1 1 calc R . . N3 N 0.6667 0.3333 0.74644(11) 0.0291(10) Uani 1 3 d S . . O1 O 0.36062(18) 0.1799(2) 0.70774(6) 0.0377(6) Uani 1 1 d . . . O2 O 0.4280(2) -0.09642(19) 0.79203(8) 0.0478(7) Uani 1 1 d . . . O4 O 0.6943(2) 0.2724(2) 0.74621(6) 0.0411(6) Uani 1 1 d U A . Ag1 Ag 0.531264(17) 0.115802(19) 0.741386(6) 0.03373(9) Uani 1 1 d DU . . O3 O 0.6295(3) 0.0512(3) 0.72565(10) 0.0673(10) Uani 1 1 d D A 1 H1O H 0.624(5) 0.064(5) 0.7057(6) 0.101 Uiso 1 1 d D B 1 H2O H 0.6889(10) 0.097(2) 0.7317(13) 0.101 Uiso 1 1 d D C 1 N4 N 0.6667 0.3333 0.8333 0.0294(14) Uani 1 6 d S . . O5 O 0.6667 0.2562(3) 0.8333 0.0642(14) Uani 1 2 d S . . O6 O 0.4975(4) 0.7709(3) 0.77739(16) 0.0951(16) Uani 1 1 d D . . H4O H 0.500(9) 0.789(6) 0.7574(6) 0.143 Uiso 1 1 d D . . H3O H 0.497(8) 0.818(5) 0.7885(16) 0.143 Uiso 1 1 d D . . O7 O 0.3333 0.6667 0.7346(2) 0.044(2) Uani 0.50 3 d SP . . O8 O 0.3333 0.6667 0.8224(2) 0.056(3) Uani 0.50 3 d SP . . O9 O 0.3333 0.6667 0.6667 0.107(9) Uani 0.50 6 d SP . . N5 N 0.5715(10) -0.0980(9) 0.6774(3) 0.147(2) Uiso 0.50 1 d PD D 1 O10 O 0.5570(9) -0.0186(7) 0.66735(19) 0.147(2) Uiso 0.75 1 d PD D 1 O11 O 0.5474(8) -0.1331(8) 0.7084(2) 0.147(2) Uiso 0.75 1 d PD D 1 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.0321(18) 0.058(2) 0.058(2) 0.0043(19) -0.0073(17) 0.0277(18) C2 0.0298(16) 0.0398(18) 0.0332(17) 0.0008(14) -0.0037(13) 0.0195(15) C3 0.0195(13) 0.0296(15) 0.0333(16) -0.0011(12) -0.0052(11) 0.0093(11) C4 0.0280(14) 0.0324(15) 0.0219(13) 0.0011(11) -0.0018(11) 0.0162(12) C5 0.0294(15) 0.0307(16) 0.0387(18) -0.0063(13) -0.0056(13) 0.0154(13) C6 0.0197(12) 0.0249(14) 0.0350(16) 0.0031(12) -0.0025(11) 0.0110(11) C7 0.0256(15) 0.0344(16) 0.0323(17) 0.0076(12) 0.0012(11) 0.0116(13) C8 0.0202(14) 0.0372(18) 0.051(2) 0.0087(16) 0.0042(13) 0.0114(13) C9 0.0187(14) 0.0288(16) 0.058(2) 0.0030(15) -0.0057(13) 0.0056(13) C10 0.0235(14) 0.0330(16) 0.0372(17) 0.0038(14) -0.0071(12) 0.0088(12) C11 0.0219(13) 0.0287(14) 0.0323(17) 0.0044(12) -0.0013(12) 0.0104(11) C12 0.0384(19) 0.043(2) 0.054(2) -0.0073(17) 0.0056(17) 0.0192(16) C13 0.0267(14) 0.0396(16) 0.0250(15) -0.0019(11) -0.0016(11) 0.0134(13) C14 0.0263(14) 0.0420(19) 0.0267(16) -0.0018(14) 0.0016(12) 0.0113(14) C15 0.0251(15) 0.0415(17) 0.0237(15) 0.0003(12) -0.0047(12) 0.0100(13) C16 0.0343(18) 0.054(2) 0.0292(17) 0.0045(16) 0.0001(14) 0.0118(17) N1 0.0258(12) 0.0318(14) 0.0297(13) 0.0036(11) 0.0006(10) 0.0116(11) N2 0.0200(11) 0.0277(12) 0.0334(14) 0.0048(10) -0.0030(10) 0.0117(10) N3 0.0339(15) 0.0339(15) 0.020(2) 0.000 0.000 0.0169(7) O1 0.0320(12) 0.0400(13) 0.0370(13) 0.0065(11) 0.0019(10) 0.0150(11) O2 0.0362(13) 0.0334(13) 0.077(2) 0.0032(12) -0.0129(13) 0.0195(11) O4 0.0431(15) 0.0411(14) 0.0467(15) 0.0000(11) 0.0008(12) 0.0268(12) Ag1 0.02766(13) 0.03578(15) 0.03480(14) 0.00179(10) -0.00068(9) 0.01364(10) O3 0.057(2) 0.063(2) 0.090(3) 0.0015(19) 0.0170(18) 0.0356(19) N4 0.0254(18) 0.0254(18) 0.038(4) 0.000 0.000 0.0127(9) O5 0.045(2) 0.0350(15) 0.116(5) -0.0070(13) -0.014(3) 0.0227(12) O6 0.066(3) 0.054(2) 0.170(5) -0.017(3) -0.008(3) 0.033(2) O7 0.043(3) 0.043(3) 0.047(6) 0.000 0.000 0.0216(16) O8 0.070(4) 0.070(4) 0.026(5) 0.000 0.000 0.035(2) O9 0.124(14) 0.124(14) 0.074(15) 0.000 0.000 0.062(7) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C2 1.519(5) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 O2 1.234(5) . ? C2 C3 1.428(5) . ? C3 C4 1.405(4) . ? C3 Ag1 2.398(3) . ? C3 H3 0.9300 . ? C4 N2 1.333(4) . ? C4 C5 1.505(5) . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? C6 N2 1.468(4) . ? C6 C7 1.521(4) . ? C6 C11 1.537(5) . ? C6 H6 0.9800 . ? C7 C8 1.533(4) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C8 C9 1.529(6) . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? C9 C10 1.527(5) . ? C9 H9A 0.9700 . ? C9 H9B 0.9700 . ? C10 C11 1.537(4) . ? C10 H10A 0.9700 . ? C10 H10B 0.9700 . ? C11 N1 1.460(4) . ? C11 H11 0.9800 . ? C12 C13 1.483(6) . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? C13 N1 1.337(4) . ? C13 C14 1.418(5) . ? C14 C15 1.429(5) . ? C14 Ag1 2.424(3) . ? C14 H14 0.9300 . ? C15 O1 1.252(5) . ? C15 C16 1.515(5) . ? C16 H16A 0.9600 . ? C16 H16B 0.9600 . ? C16 H16C 0.9600 . ? N1 H1 0.8600 . ? N2 H2 0.8600 . ? N3 O4 1.248(3) . ? N3 O4 1.248(3) 2_655 ? N3 O4 1.248(3) 3_665 ? O4 Ag1 2.554(3) . ? Ag1 O3 2.361(4) . ? O3 H1O 0.90(3) . ? O3 H2O 0.90(3) . ? N4 O5 1.227(4) . ? N4 O5 1.227(4) 2_655 ? N4 O5 1.227(4) 3_665 ? O6 H4O 0.91(4) . ? O6 H3O 0.89(8) . ? N5 N5 0.94(2) 12_546 ? N5 O10 1.411(8) 12_546 ? N5 O11 1.431(8) . ? N5 O10 1.459(8) . ? O10 N5 1.411(8) 12_546 ? 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 C2 C1 H1A 109.5 . . ? C2 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? C2 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? O2 C2 C3 124.3(3) . . ? O2 C2 C1 118.0(4) . . ? C3 C2 C1 117.7(3) . . ? C4 C3 C2 123.0(3) . . ? C4 C3 Ag1 96.5(2) . . ? C2 C3 Ag1 97.5(2) . . ? C4 C3 H3 118.5 . . ? C2 C3 H3 118.5 . . ? Ag1 C3 H3 75.2 . . ? N2 C4 C3 121.0(3) . . ? N2 C4 C5 120.6(3) . . ? C3 C4 C5 118.4(3) . . ? C4 C5 H5A 109.5 . . ? C4 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? C4 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? N2 C6 C7 111.1(3) . . ? N2 C6 C11 107.9(3) . . ? C7 C6 C11 111.1(3) . . ? N2 C6 H6 108.9 . . ? C7 C6 H6 108.9 . . ? C11 C6 H6 108.9 . . ? C6 C7 C8 110.8(3) . . ? C6 C7 H7A 109.5 . . ? C8 C7 H7A 109.5 . . ? C6 C7 H7B 109.5 . . ? C8 C7 H7B 109.5 . . ? H7A C7 H7B 108.1 . . ? C9 C8 C7 110.3(3) . . ? C9 C8 H8A 109.6 . . ? C7 C8 H8A 109.6 . . ? C9 C8 H8B 109.6 . . ? C7 C8 H8B 109.6 . . ? H8A C8 H8B 108.1 . . ? C10 C9 C8 111.0(3) . . ? C10 C9 H9A 109.4 . . ? C8 C9 H9A 109.4 . . ? C10 C9 H9B 109.4 . . ? C8 C9 H9B 109.4 . . ? H9A C9 H9B 108.0 . . ? C9 C10 C11 110.5(3) . . ? C9 C10 H10A 109.5 . . ? C11 C10 H10A 109.5 . . ? C9 C10 H10B 109.5 . . ? C11 C10 H10B 109.5 . . ? H10A C10 H10B 108.1 . . ? N1 C11 C6 108.9(3) . . ? N1 C11 C10 110.5(3) . . ? C6 C11 C10 110.1(3) . . ? N1 C11 H11 109.1 . . ? C6 C11 H11 109.1 . . ? C10 C11 H11 109.1 . . ? C13 C12 H12A 109.5 . . ? C13 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C13 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? N1 C13 C14 119.4(3) . . ? N1 C13 C12 119.9(3) . . ? C14 C13 C12 120.7(3) . . ? C13 C14 C15 123.2(3) . . ? C13 C14 Ag1 93.9(2) . . ? C15 C14 Ag1 99.4(2) . . ? C13 C14 H14 118.4 . . ? C15 C14 H14 118.4 . . ? Ag1 C14 H14 75.9 . . ? O1 C15 C14 123.3(3) . . ? O1 C15 C16 118.1(3) . . ? C14 C15 C16 118.6(3) . . ? C15 C16 H16A 109.5 . . ? C15 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? C15 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C13 N1 C11 126.6(3) . . ? C13 N1 H1 116.7 . . ? C11 N1 H1 116.7 . . ? C4 N2 C6 126.1(3) . . ? C4 N2 H2 116.9 . . ? C6 N2 H2 116.9 . . ? O4 N3 O4 119.994(11) . 2_655 ? O4 N3 O4 119.994(11) . 3_665 ? O4 N3 O4 119.994(10) 2_655 3_665 ? N3 O4 Ag1 100.28(16) . . ? O3 Ag1 C3 110.18(13) . . ? O3 Ag1 C14 101.38(15) . . ? C3 Ag1 C14 124.77(11) . . ? O3 Ag1 O4 82.99(12) . . ? C3 Ag1 O4 104.26(10) . . ? C14 Ag1 O4 124.04(11) . . ? Ag1 O3 H1O 91(5) . . ? Ag1 O3 H2O 103(2) . . ? H1O O3 H2O 106(6) . . ? O5 N4 O5 120.000(4) . 2_655 ? O5 N4 O5 120.000(9) . 3_665 ? O5 N4 O5 120.000(2) 2_655 3_665 ? H4O O6 H3O 105(8) . . ? N5 N5 O10 73.8(9) 12_546 12_546 ? N5 N5 O11 160.7(7) 12_546 . ? O10 N5 O11 111.0(8) 12_546 . ? N5 N5 O10 68.2(8) 12_546 . ? O10 N5 O10 121.9(12) 12_546 . ? O11 N5 O10 119.4(9) . . ? 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 O2 C2 C3 C4 4.0(6) . . . . ? C1 C2 C3 C4 -177.8(3) . . . . ? O2 C2 C3 Ag1 -98.8(4) . . . . ? C1 C2 C3 Ag1 79.4(3) . . . . ? C2 C3 C4 N2 -2.1(5) . . . . ? Ag1 C3 C4 N2 101.2(3) . . . . ? C2 C3 C4 C5 177.1(3) . . . . ? Ag1 C3 C4 C5 -79.6(3) . . . . ? N2 C6 C7 C8 -177.2(3) . . . . ? C11 C6 C7 C8 -57.0(4) . . . . ? C6 C7 C8 C9 56.8(4) . . . . ? C7 C8 C9 C10 -57.2(4) . . . . ? C8 C9 C10 C11 57.5(4) . . . . ? N2 C6 C11 N1 -59.8(3) . . . . ? C7 C6 C11 N1 178.1(3) . . . . ? N2 C6 C11 C10 178.9(3) . . . . ? C7 C6 C11 C10 56.8(3) . . . . ? C9 C10 C11 N1 -177.2(3) . . . . ? C9 C10 C11 C6 -56.8(4) . . . . ? N1 C13 C14 C15 -3.7(5) . . . . ? C12 C13 C14 C15 174.2(3) . . . . ? N1 C13 C14 Ag1 100.2(3) . . . . ? C12 C13 C14 Ag1 -81.9(3) . . . . ? C13 C14 C15 O1 8.8(5) . . . . ? Ag1 C14 C15 O1 -92.2(3) . . . . ? C13 C14 C15 C16 -170.7(3) . . . . ? Ag1 C14 C15 C16 88.3(3) . . . . ? C14 C13 N1 C11 -170.3(3) . . . . ? C12 C13 N1 C11 11.8(5) . . . . ? C6 C11 N1 C13 108.4(4) . . . . ? C10 C11 N1 C13 -130.5(3) . . . . ? C3 C4 N2 C6 -166.8(3) . . . . ? C5 C4 N2 C6 14.0(5) . . . . ? C7 C6 N2 C4 -133.7(3) . . . . ? C11 C6 N2 C4 104.2(4) . . . . ? O4 N3 O4 Ag1 -174.5(4) 2_655 . . . ? O4 N3 O4 Ag1 3.9(5) 3_665 . . . ? C4 C3 Ag1 O3 -145.6(2) . . . . ? C2 C3 Ag1 O3 -21.0(2) . . . . ? C4 C3 Ag1 C14 -24.9(3) . . . . ? C2 C3 Ag1 C14 99.7(2) . . . . ? C4 C3 Ag1 O4 126.75(19) . . . . ? C2 C3 Ag1 O4 -108.7(2) . . . . ? C13 C14 Ag1 O3 97.8(2) . . . . ? C15 C14 Ag1 O3 -137.6(2) . . . . ? C13 C14 Ag1 C3 -26.8(3) . . . . ? C15 C14 Ag1 C3 97.8(2) . . . . ? C13 C14 Ag1 O4 -172.98(19) . . . . ? C15 C14 Ag1 O4 -48.4(2) . . . . ? N3 O4 Ag1 O3 162.0(3) . . . . ? N3 O4 Ag1 C3 -88.8(3) . . . . ? N3 O4 Ag1 C14 63.0(3) . . . . ? O10 N5 O10 N5 52.9(14) 12_546 . . 12_546 ? O11 N5 O10 N5 -160.3(9) . . . 12_546 ? 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 N1 H1 O1 0.86 1.96 2.645(4) 135.7 . N2 H2 O2 0.86 2.02 2.674(4) 132.5 . O3 H1O O10 0.90(3) 2.05(5) 2.767(10) 135(6) . O3 H2O O1 0.90(3) 2.10(4) 2.792(5) 133(4) 2_655 O6 H3O O2 0.89(8) 2.13(6) 2.903(5) 143(9) 1_565 O6 H3O O8 0.89(8) 2.91(10) 3.007(9) 87(6) . _diffrn_measured_fraction_theta_max 0.979 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 1.027 _refine_diff_density_min -0.715 _refine_diff_density_rms 0.107