# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2011 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_email chamis@chem.uw.edu.pl _publ_contact_author_name 'Michal Ksawery Cyranski' loop_ _publ_author_name P.J.Leszczynski A.Budzianowski L.Dobrzycki M.Derzsi W.Grochala data_wg12_2 _database_code_depnum_ccdc_archive 'CCDC 816414' #TrackingRef 'WG12_2.CIF' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C20 H27 Ag5 N10 O18 S4' _chemical_formula_weight 1363.11 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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' S S 0.1246 0.1234 '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 ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' 'x, -y+1/2, -z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, y, -z-1/2' '-x, y-1/2, z' 'x, -y-1/2, z-1/2' _cell_length_a 7.1273(7) _cell_length_b 14.2131(9) _cell_length_c 34.705(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 3515.6(5) _cell_formula_units_Z 4 _cell_measurement_temperature 100(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 0.25 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.575 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2640 _exptl_absorpt_coefficient_mu 3.067 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min 0.4597 _exptl_absorpt_correction_T_max 0.6562 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(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 14032 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0450 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 41 _diffrn_reflns_theta_min 2.86 _diffrn_reflns_theta_max 25.05 _reflns_number_total 14032 _reflns_number_gt 9624 _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^)+(0.1454P)^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 0.00062(11) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 14032 _refine_ls_number_parameters 273 _refine_ls_number_restraints 66 _refine_ls_R_factor_all 0.0904 _refine_ls_R_factor_gt 0.0702 _refine_ls_wR_factor_ref 0.2320 _refine_ls_wR_factor_gt 0.2242 _refine_ls_goodness_of_fit_ref 1.119 _refine_ls_restrained_S_all 1.120 _refine_ls_shift/su_max 0.023 _refine_ls_shift/su_mean 0.004 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 1.00687(7) 0.68370(4) 0.456295(16) 0.01932(18) Uani 1 1 d . . . N11 N 0.7018(9) 0.6896(4) 0.45524(16) 0.0176(14) Uani 1 1 d U . . C12 C 0.6038(11) 0.6355(5) 0.48026(19) 0.0175(16) Uani 1 1 d U . . H12 H 0.6698 0.5986 0.4986 0.021 Uiso 1 1 calc R . . C13 C 0.4109(11) 0.6326(5) 0.4797(2) 0.0177(16) Uani 1 1 d . . . H13 H 0.3465 0.5929 0.4973 0.021 Uiso 1 1 calc R . . N14 N 0.3118(9) 0.6852(4) 0.45467(17) 0.0197(15) Uani 1 1 d U . . C15 C 0.4097(10) 0.7370(4) 0.43057(18) 0.0117(14) Uani 1 1 d U . . H15 H 0.3445 0.7749 0.4124 0.014 Uiso 1 1 calc R . . C16 C 0.5996(10) 0.7384(4) 0.4305(2) 0.0152(15) Uani 1 1 d . . . H16 H 0.6621 0.7761 0.4119 0.018 Uiso 1 1 calc R . . S1 S 0.9860(2) 0.57818(13) 0.56186(5) 0.0145(4) Uani 1 1 d . . . O11 O 1.1285(8) 0.4962(4) 0.56611(16) 0.0325(15) Uani 1 1 d . . . H11 H 1.2263 0.5160 0.5769 0.049 Uiso 1 1 calc R . . O12 O 1.0339(8) 0.6246(4) 0.52682(16) 0.0319(14) Uani 1 1 d . . . O13 O 0.8081(7) 0.5291(4) 0.55917(15) 0.0242(12) Uani 1 1 d . . . O14 O 1.0038(7) 0.6369(4) 0.59507(14) 0.0271(13) Uani 1 1 d . . . Ag2 Ag 0.48550(7) 0.38152(5) 0.656069(16) 0.02191(19) Uani 1 1 d . . . N21 N 0.1784(9) 0.3771(5) 0.65233(18) 0.0222(15) Uani 1 1 d . . . C22 C 0.0790(12) 0.2981(5) 0.65007(19) 0.0192(17) Uani 1 1 d . . . H22 H 0.1422 0.2394 0.6483 0.023 Uiso 1 1 calc R . . C23 C -0.1141(11) 0.3002(6) 0.65030(19) 0.0206(18) Uani 1 1 d . . . H23 H -0.1805 0.2423 0.6495 0.025 Uiso 1 1 calc R . . N24 N -0.2111(10) 0.3795(5) 0.65164(17) 0.0216(15) Uani 1 1 d . . . C25 C -0.1099(11) 0.4576(5) 0.65417(19) 0.0186(17) Uani 1 1 d U . . H25 H -0.1730 0.5164 0.6557 0.022 Uiso 1 1 calc R . . C26 C 0.0821(11) 0.4566(5) 0.65462(18) 0.0148(15) Uani 1 1 d U . . H26 H 0.1481 0.5145 0.6566 0.018 Uiso 1 1 calc R . . Ag3 Ag 0.53968(12) 0.42293(6) 0.7500 0.0225(2) Uani 1 2 d S . . N31 N 0.2337(12) 0.4102(6) 0.7500 0.020(2) Uani 1 2 d S . . C32 C 0.1315(15) 0.3314(7) 0.7500 0.016(2) Uani 1 2 d SU . . H32 H 0.1945 0.2725 0.7500 0.020 Uiso 1 2 calc SR . . C33 C -0.0620(15) 0.3323(7) 0.7500 0.016(2) Uani 1 2 d SU . . H33 H -0.1288 0.2745 0.7500 0.020 Uiso 1 2 calc SR . . N34 N -0.1555(13) 0.4123(6) 0.7500 0.021(2) Uani 1 2 d SU . . C35 C -0.0570(16) 0.4962(8) 0.7500 0.022(2) Uani 1 2 d SU . . H35 H -0.1221 0.5545 0.7500 0.027 Uiso 1 2 calc SR . . C36 C 0.1348(16) 0.4945(8) 0.7500 0.025(3) Uani 1 2 d SU . . H36 H 0.2020 0.5523 0.7500 0.030 Uiso 1 2 calc SR . . S2 S 0.5300(3) 0.64028(13) 0.69025(5) 0.0157(4) Uani 1 1 d . . . O21 O 0.4176(9) 0.7067(4) 0.71502(15) 0.0311(14) Uani 1 1 d . . . H21 H 0.4176 0.7067 0.7500 0.047 Uiso 1 2 d SR . . O22 O 0.4587(8) 0.5452(4) 0.69571(15) 0.0307(14) Uani 1 1 d . . . O23 O 0.7264(7) 0.6487(4) 0.70136(14) 0.0226(12) Uani 1 1 d . . . O24 O 0.4994(6) 0.6715(4) 0.65089(15) 0.0170(12) Uani 1 1 d . . . O1 O 0.4611(7) 0.5305(4) 0.59706(15) 0.0240(12) Uani 1 1 d G . . H1A H 0.4665 0.5798 0.6175 0.036 Uiso 1 1 d G . . H1B H 0.5800 0.5364 0.5821 0.036 Uiso 1 1 d G . . 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 0.0026(3) 0.0207(4) 0.0346(3) 0.0019(2) -0.0003(2) -0.0004(2) N11 0.007(3) 0.017(3) 0.029(3) -0.005(2) -0.001(2) 0.003(2) C12 0.015(3) 0.017(3) 0.021(3) -0.003(2) -0.002(2) 0.009(3) C13 0.009(4) 0.017(4) 0.028(4) -0.001(3) 0.000(3) -0.009(3) N14 0.010(3) 0.020(3) 0.030(3) -0.007(2) 0.002(2) 0.000(2) C15 0.011(3) 0.006(3) 0.018(3) -0.001(2) -0.003(2) -0.003(2) C16 0.013(4) 0.005(3) 0.028(4) -0.002(3) 0.003(3) 0.004(3) S1 0.0083(10) 0.0110(9) 0.0243(9) -0.0019(7) 0.0006(6) 0.0022(7) O11 0.020(3) 0.029(4) 0.049(4) -0.012(3) -0.017(3) 0.013(3) O12 0.033(4) 0.030(3) 0.032(3) 0.005(3) -0.001(3) -0.002(3) O13 0.013(3) 0.019(3) 0.041(3) -0.004(3) 0.003(2) -0.006(2) O14 0.025(4) 0.032(3) 0.024(3) -0.002(2) 0.000(2) 0.005(2) Ag2 0.0034(3) 0.0245(4) 0.0378(3) -0.0030(3) 0.0005(2) 0.0005(2) N21 0.005(3) 0.022(4) 0.039(4) 0.006(3) -0.001(3) 0.002(3) C22 0.021(4) 0.020(4) 0.017(4) 0.000(3) 0.002(3) 0.013(4) C23 0.013(4) 0.030(5) 0.018(4) -0.001(3) -0.005(3) -0.009(4) N24 0.015(4) 0.022(4) 0.028(4) 0.005(3) -0.003(3) -0.002(3) C25 0.015(3) 0.012(3) 0.029(3) -0.002(2) 0.000(2) -0.003(3) C26 0.010(3) 0.009(3) 0.025(3) -0.001(2) -0.001(2) -0.001(3) Ag3 0.0069(4) 0.0228(5) 0.0379(5) 0.000 0.000 -0.0004(4) N31 0.007(5) 0.025(5) 0.027(5) 0.000 0.000 0.005(4) C32 0.018(4) 0.010(4) 0.021(4) 0.000 0.000 0.000(3) C33 0.012(4) 0.017(4) 0.021(3) 0.000 0.000 -0.001(3) N34 0.017(3) 0.021(3) 0.026(3) 0.000 0.000 0.003(3) C35 0.017(4) 0.027(4) 0.023(3) 0.000 0.000 0.005(3) C36 0.020(4) 0.023(4) 0.031(4) 0.000 0.000 -0.003(3) S2 0.0125(10) 0.0134(9) 0.0211(8) -0.0024(7) 0.0005(7) 0.0015(7) O21 0.035(3) 0.029(3) 0.029(3) 0.001(3) 0.001(3) 0.020(3) O22 0.024(3) 0.036(3) 0.032(3) 0.013(3) 0.007(2) -0.003(3) O23 0.010(3) 0.028(3) 0.030(3) 0.002(2) -0.007(2) -0.001(2) O24 0.005(3) 0.017(3) 0.029(3) 0.009(2) 0.0006(19) 0.0034(19) O1 0.014(3) 0.027(3) 0.031(3) -0.002(2) 0.006(2) -0.002(2) _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 N14 2.174(6) 1_655 ? Ag1 N11 2.176(6) . ? Ag1 O12 2.595(5) . ? N11 C16 1.322(9) . ? N11 C12 1.354(9) . ? C12 C13 1.376(12) . ? C12 H12 0.9500 . ? C13 N14 1.347(9) . ? C13 H13 0.9500 . ? N14 C15 1.314(9) . ? N14 Ag1 2.174(6) 1_455 ? C15 C16 1.354(12) . ? C15 H15 0.9500 . ? C16 H16 0.9500 . ? S1 O12 1.425(6) . ? S1 O14 1.429(6) . ? S1 O13 1.450(5) . ? S1 O11 1.553(5) . ? O11 H11 0.8400 . ? Ag2 N24 2.168(7) 1_655 ? Ag2 N21 2.194(7) . ? Ag2 Ag3 3.3350(6) . ? Ag2 Ag2 9.9196(9) 7_565 ? Ag2 Ag2 10.2123(10) 7_765 ? N21 C26 1.324(9) . ? N21 C22 1.330(10) . ? C22 C23 1.377(12) . ? C22 H22 0.9500 . ? C23 N24 1.323(10) . ? C23 H23 0.9500 . ? N24 C25 1.327(10) . ? N24 Ag2 2.168(7) 1_455 ? C25 C26 1.368(12) . ? C25 H25 0.9500 . ? C26 H26 0.9500 . ? Ag3 N34 2.178(9) 1_655 ? Ag3 N31 2.188(8) . ? Ag3 Ag2 3.3350(6) 6_557 ? N31 C32 1.336(12) . ? N31 C36 1.390(13) . ? C32 C33 1.379(15) . ? C32 H32 0.9500 . ? C33 N34 1.317(13) . ? C33 H33 0.9500 . ? N34 C35 1.384(14) . ? N34 Ag3 2.178(9) 1_455 ? C35 C36 1.367(16) . ? C35 H35 0.9500 . ? C36 H36 0.9500 . ? S2 O24 1.453(5) . ? S2 O23 1.457(5) . ? S2 O22 1.456(6) . ? S2 O21 1.508(5) . ? O21 H21 1.2135 . ? O1 H1A 0.9975 . ? O1 H1B 0.9980 . ? 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 N14 Ag1 N11 176.3(2) 1_655 . ? N14 Ag1 O12 87.3(2) 1_655 . ? N11 Ag1 O12 95.9(2) . . ? C16 N11 C12 115.5(7) . . ? C16 N11 Ag1 125.5(5) . . ? C12 N11 Ag1 118.9(5) . . ? N11 C12 C13 121.6(7) . . ? N11 C12 H12 119.2 . . ? C13 C12 H12 119.2 . . ? N14 C13 C12 121.1(7) . . ? N14 C13 H13 119.5 . . ? C12 C13 H13 119.5 . . ? C15 N14 C13 116.3(7) . . ? C15 N14 Ag1 123.6(5) . 1_455 ? C13 N14 Ag1 120.1(5) . 1_455 ? N14 C15 C16 122.7(6) . . ? N14 C15 H15 118.6 . . ? C16 C15 H15 118.6 . . ? N11 C16 C15 122.8(7) . . ? N11 C16 H16 118.6 . . ? C15 C16 H16 118.6 . . ? O12 S1 O14 113.4(4) . . ? O12 S1 O13 112.2(3) . . ? O14 S1 O13 114.3(3) . . ? O12 S1 O11 105.8(3) . . ? O14 S1 O11 107.7(3) . . ? O13 S1 O11 102.5(3) . . ? S1 O11 H11 109.5 . . ? S1 O12 Ag1 159.6(4) . . ? N24 Ag2 N21 172.2(2) 1_655 . ? N24 Ag2 Ag3 87.49(16) 1_655 . ? N21 Ag2 Ag3 100.28(17) . . ? N24 Ag2 Ag2 134.87(17) 1_655 7_565 ? N21 Ag2 Ag2 47.48(17) . 7_565 ? Ag3 Ag2 Ag2 87.383(18) . 7_565 ? N24 Ag2 Ag2 45.02(17) 1_655 7_765 ? N21 Ag2 Ag2 137.42(17) . 7_765 ? Ag3 Ag2 Ag2 78.114(18) . 7_765 ? Ag2 Ag2 Ag2 90.143(7) 7_565 7_765 ? C26 N21 C22 116.6(7) . . ? C26 N21 Ag2 119.3(5) . . ? C22 N21 Ag2 124.0(5) . . ? N21 C22 C23 120.9(7) . . ? N21 C22 H22 119.6 . . ? C23 C22 H22 119.5 . . ? N24 C23 C22 122.7(7) . . ? N24 C23 H23 118.6 . . ? C22 C23 H23 118.6 . . ? C25 N24 C23 115.6(7) . . ? C25 N24 Ag2 121.7(6) . 1_455 ? C23 N24 Ag2 122.3(5) . 1_455 ? N24 C25 C26 122.4(7) . . ? N24 C25 H25 118.8 . . ? C26 C25 H25 118.8 . . ? N21 C26 C25 121.8(7) . . ? N21 C26 H26 119.1 . . ? C25 C26 H26 119.1 . . ? N34 Ag3 N31 171.3(4) 1_655 . ? N34 Ag3 Ag2 95.93(5) 1_655 . ? N31 Ag3 Ag2 82.53(4) . . ? N34 Ag3 Ag2 95.93(5) 1_655 6_557 ? N31 Ag3 Ag2 82.53(4) . 6_557 ? Ag2 Ag3 Ag2 155.63(4) . 6_557 ? C32 N31 C36 116.5(9) . . ? C32 N31 Ag3 127.8(7) . . ? C36 N31 Ag3 115.7(7) . . ? N31 C32 C33 122.5(9) . . ? N31 C32 H32 118.8 . . ? C33 C32 H32 118.8 . . ? N34 C33 C32 120.9(9) . . ? N34 C33 H33 119.5 . . ? C32 C33 H33 119.5 . . ? C33 N34 C35 119.1(9) . . ? C33 N34 Ag3 124.4(7) . 1_455 ? C35 N34 Ag3 116.5(7) . 1_455 ? C36 C35 N34 119.5(10) . . ? C36 C35 H35 120.3 . . ? N34 C35 H35 120.3 . . ? C35 C36 N31 121.5(10) . . ? C35 C36 H36 119.3 . . ? N31 C36 H36 119.3 . . ? O24 S2 O23 111.6(3) . . ? O24 S2 O22 110.7(3) . . ? O23 S2 O22 112.1(3) . . ? O24 S2 O21 105.4(3) . . ? O23 S2 O21 108.0(3) . . ? O22 S2 O21 108.7(3) . . ? S2 O21 H21 124.8 . . ? H1A O1 H1B 106.2 . . ? 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 N14 Ag1 N11 C16 10(4) 1_655 . . . ? O12 Ag1 N11 C16 160.6(5) . . . . ? N14 Ag1 N11 C12 -174(3) 1_655 . . . ? O12 Ag1 N11 C12 -23.3(5) . . . . ? C16 N11 C12 C13 -0.3(9) . . . . ? Ag1 N11 C12 C13 -176.8(5) . . . . ? N11 C12 C13 N14 -1.3(10) . . . . ? C12 C13 N14 C15 1.4(9) . . . . ? C12 C13 N14 Ag1 -177.3(5) . . . 1_455 ? C13 N14 C15 C16 -0.1(9) . . . . ? Ag1 N14 C15 C16 178.6(5) 1_455 . . . ? C12 N11 C16 C15 1.6(9) . . . . ? Ag1 N11 C16 C15 177.9(5) . . . . ? N14 C15 C16 N11 -1.6(10) . . . . ? O14 S1 O12 Ag1 -130.2(10) . . . . ? O13 S1 O12 Ag1 1.1(12) . . . . ? O11 S1 O12 Ag1 112.1(10) . . . . ? N14 Ag1 O12 S1 -152.6(11) 1_655 . . . ? N11 Ag1 O12 S1 29.2(11) . . . . ? N24 Ag2 N21 C26 -113.7(18) 1_655 . . . ? Ag3 Ag2 N21 C26 74.0(5) . . . . ? Ag2 Ag2 N21 C26 -2.8(4) 7_565 . . . ? Ag2 Ag2 N21 C26 -9.6(7) 7_765 . . . ? N24 Ag2 N21 C22 70(2) 1_655 . . . ? Ag3 Ag2 N21 C22 -101.9(6) . . . . ? Ag2 Ag2 N21 C22 -178.7(7) 7_565 . . . ? Ag2 Ag2 N21 C22 174.5(4) 7_765 . . . ? C26 N21 C22 C23 -0.2(10) . . . . ? Ag2 N21 C22 C23 175.8(5) . . . . ? N21 C22 C23 N24 1.9(10) . . . . ? C22 C23 N24 C25 -2.3(10) . . . . ? C22 C23 N24 Ag2 -175.6(5) . . . 1_455 ? C23 N24 C25 C26 1.2(10) . . . . ? Ag2 N24 C25 C26 174.5(5) 1_455 . . . ? C22 N21 C26 C25 -0.9(10) . . . . ? Ag2 N21 C26 C25 -177.1(5) . . . . ? N24 C25 C26 N21 0.4(10) . . . . ? N24 Ag2 Ag3 N34 -3.9(3) 1_655 . . 1_655 ? N21 Ag2 Ag3 N34 175.0(3) . . . 1_655 ? Ag2 Ag2 Ag3 N34 -139.1(2) 7_565 . . 1_655 ? Ag2 Ag2 Ag3 N34 -48.4(2) 7_765 . . 1_655 ? N24 Ag2 Ag3 N31 -175.3(3) 1_655 . . . ? N21 Ag2 Ag3 N31 3.7(3) . . . . ? Ag2 Ag2 Ag3 N31 49.6(2) 7_565 . . . ? Ag2 Ag2 Ag3 N31 140.3(2) 7_765 . . . ? N24 Ag2 Ag3 Ag2 -122.63(19) 1_655 . . 6_557 ? N21 Ag2 Ag3 Ag2 56.3(2) . . . 6_557 ? Ag2 Ag2 Ag3 Ag2 102.22(8) 7_565 . . 6_557 ? Ag2 Ag2 Ag3 Ag2 -167.08(8) 7_765 . . 6_557 ? N34 Ag3 N31 C32 0.0 1_655 . . . ? Ag2 Ag3 N31 C32 80.34(3) . . . . ? Ag2 Ag3 N31 C32 -80.34(3) 6_557 . . . ? N34 Ag3 N31 C36 180.0 1_655 . . . ? Ag2 Ag3 N31 C36 -99.66(3) . . . . ? Ag2 Ag3 N31 C36 99.66(3) 6_557 . . . ? C36 N31 C32 C33 0.0 . . . . ? Ag3 N31 C32 C33 180.0 . . . . ? N31 C32 C33 N34 0.0 . . . . ? C32 C33 N34 C35 0.0 . . . . ? C32 C33 N34 Ag3 180.0 . . . 1_455 ? C33 N34 C35 C36 0.0 . . . . ? Ag3 N34 C35 C36 180.0 1_455 . . . ? N34 C35 C36 N31 0.0 . . . . ? C32 N31 C36 C35 0.0 . . . . ? Ag3 N31 C36 C35 180.0 . . . . ? 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 O11 H11 O1 0.84 1.83 2.648(8) 165.8 1_655 O21 H21 O21 1.21 1.21 2.428(10) 180.0 6_557 O21 H21 S2 1.21 2.42 3.513(5) 149.2 6_557 O1 H1A O24 1.00 1.76 2.754(8) 173.4 . O1 H1A S2 1.00 2.71 3.625(6) 153.3 . O1 H1B O13 1.00 1.81 2.801(7) 170.2 . _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.05 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.892 _refine_diff_density_min -1.559 _refine_diff_density_rms 0.325