# Electronic Supplementary Material (ESI) for New Journal of Chemistry # This journal is © The Royal Society of Chemistry and The Centre National de la Recherche Scientifique 2012 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # ####################################################################### data_complex1 _database_code_depnum_ccdc_archive 'CCDC 894290' #TrackingRef 'all3.cif.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; 4-(2-imidazolyl)-pyridine, silver(I) nitrate ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ; (C8 H7 N3)4 (Ag N O3)4 (H2 O)3 ; _chemical_formula_sum 'C32 H34 Ag4 N16 O15' _chemical_formula_weight 1314.23 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 6.9704(4) _cell_length_b 7.8319(5) _cell_length_c 19.4544(11) _cell_angle_alpha 79.749(2) _cell_angle_beta 85.086(2) _cell_angle_gamma 81.023(2) _cell_volume 1030.46(11) _cell_formula_units_Z 1 _cell_measurement_temperature 120(2) _cell_measurement_reflns_used 9866 _cell_measurement_theta_min 2.67 _cell_measurement_theta_max 33.36 _exptl_crystal_description plate _exptl_crystal_colour colourless _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.118 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 646 _exptl_absorpt_coefficient_mu 1.963 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5723 _exptl_absorpt_correction_T_max 0.8913 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 120(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 APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 24393 _diffrn_reflns_av_R_equivalents 0.0235 _diffrn_reflns_av_sigmaI/netI 0.0252 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 2.13 _diffrn_reflns_theta_max 33.14 _reflns_number_total 7216 _reflns_number_gt 6483 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0200P)^2^+1.0000P] 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 7216 _refine_ls_number_parameters 321 _refine_ls_number_restraints 6 _refine_ls_R_factor_all 0.0305 _refine_ls_R_factor_gt 0.0261 _refine_ls_wR_factor_ref 0.0596 _refine_ls_wR_factor_gt 0.0568 _refine_ls_goodness_of_fit_ref 1.092 _refine_ls_restrained_S_all 1.091 _refine_ls_shift/su_max 0.002 _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 0.14782(2) 0.15658(2) -0.039987(7) 0.02101(4) Uani 1 1 d . . . Ag2 Ag 0.38010(2) 0.222169(19) 0.330325(8) 0.02050(4) Uani 1 1 d . . . O1W O 0.6351(2) -0.5910(2) 0.22030(8) 0.0230(3) Uani 1 1 d D . . H1A H 0.717(4) -0.653(3) 0.2423(13) 0.028 Uiso 1 1 d D . . H1B H 0.667(4) -0.589(4) 0.1802(11) 0.028 Uiso 1 1 d D . . O2W O 1.3101(5) -0.9694(5) 0.48149(19) 0.0334(7) Uiso 0.50 1 d PD . . H2A H 1.206(5) -0.918(7) 0.475(3) 0.040 Uiso 0.50 1 d PD . . H2B H 1.299(8) -1.046(6) 0.514(2) 0.040 Uiso 0.50 1 d PD . . N11 N 0.5126(2) -0.0291(2) 0.30862(8) 0.0158(3) Uani 1 1 d . . . C12 C 0.5159(2) -0.1203(2) 0.25634(9) 0.0133(3) Uani 1 1 d . . . N13 N 0.5884(2) -0.2896(2) 0.27783(8) 0.0147(3) Uani 1 1 d . . . H13 H 0.602(4) -0.371(3) 0.2538(13) 0.018 Uiso 1 1 d . . . C14 C 0.6363(3) -0.3089(2) 0.34568(10) 0.0176(3) Uani 1 1 d . . . H14 H 0.6916 -0.4137 0.3740 0.021 Uiso 1 1 calc R . . C15 C 0.5887(3) -0.1475(3) 0.36460(10) 0.0186(3) Uani 1 1 d . . . H15 H 0.6053 -0.1206 0.4093 0.022 Uiso 1 1 calc R . . N21 N 0.2988(2) 0.0650(2) 0.05449(8) 0.0162(3) Uani 1 1 d . . . C22 C 0.3606(3) -0.1063(2) 0.07581(9) 0.0159(3) Uani 1 1 d . . . H22 H 0.3515 -0.1868 0.0454 0.019 Uiso 1 1 calc R . . C23 C 0.4367(3) -0.1696(2) 0.14015(9) 0.0151(3) Uani 1 1 d . . . H23 H 0.4804 -0.2914 0.1532 0.018 Uiso 1 1 calc R . . C24 C 0.4493(2) -0.0542(2) 0.18602(9) 0.0135(3) Uani 1 1 d . . . C25 C 0.3943(3) 0.1245(2) 0.16223(10) 0.0174(3) Uani 1 1 d . . . H25 H 0.4076 0.2083 0.1907 0.021 Uiso 1 1 calc R . . C26 C 0.3202(3) 0.1782(2) 0.09676(10) 0.0191(3) Uani 1 1 d . . . H26 H 0.2831 0.3000 0.0811 0.023 Uiso 1 1 calc R . . N31 N 0.2527(2) 0.4473(2) 0.37496(8) 0.0167(3) Uani 1 1 d . . . C32 C 0.1637(2) 0.6058(2) 0.34889(9) 0.0145(3) Uani 1 1 d . . . N33 N 0.1381(2) 0.7096(2) 0.39871(8) 0.0177(3) Uani 1 1 d . . . H33 H 0.092(4) 0.812(4) 0.3947(13) 0.021 Uiso 1 1 d . . . C34 C 0.2137(3) 0.6151(3) 0.45858(10) 0.0207(4) Uani 1 1 d . . . H34 H 0.2166 0.6544 0.5019 0.025 Uiso 1 1 calc R . . C35 C 0.2844(3) 0.4523(3) 0.44361(10) 0.0196(4) Uani 1 1 d . . . H35 H 0.3458 0.3573 0.4755 0.024 Uiso 1 1 calc R . . N41 N -0.0409(2) 0.7743(2) 0.14401(8) 0.0162(3) Uani 1 1 d . . . C42 C -0.0394(3) 0.8891(2) 0.18792(10) 0.0163(3) Uani 1 1 d . . . H42 H -0.0876 1.0090 0.1726 0.020 Uiso 1 1 calc R . . C43 C 0.0291(3) 0.8400(2) 0.25434(9) 0.0155(3) Uani 1 1 d . . . H43 H 0.0291 0.9253 0.2835 0.019 Uiso 1 1 calc R . . C44 C 0.0981(2) 0.6642(2) 0.27793(9) 0.0137(3) Uani 1 1 d . . . C45 C 0.0979(3) 0.5457(2) 0.23253(9) 0.0155(3) Uani 1 1 d . . . H45 H 0.1452 0.4250 0.2464 0.019 Uiso 1 1 calc R . . C46 C 0.0278(3) 0.6058(2) 0.16682(9) 0.0162(3) Uani 1 1 d . . . H46 H 0.0284 0.5235 0.1363 0.019 Uiso 1 1 calc R . . N51 N 0.8739(3) -0.8235(2) 0.36718(10) 0.0240(4) Uani 1 1 d . . . O53 O 0.9728(3) -0.9395(2) 0.40753(11) 0.0465(5) Uani 1 1 d . . . O51 O 0.9278(2) -0.7927(2) 0.30409(9) 0.0314(3) Uani 1 1 d . . . O52 O 0.7222(2) -0.7398(2) 0.39053(9) 0.0279(3) Uani 1 1 d . . . N61 N 0.7865(2) -0.6046(2) 0.04661(9) 0.0206(3) Uani 1 1 d . . . O61 O 0.6950(3) -0.4756(2) 0.07037(10) 0.0366(4) Uani 1 1 d . . . O62 O 0.8308(4) -0.7431(3) 0.08701(13) 0.0631(7) Uani 1 1 d . . . O63 O 0.8346(2) -0.5947(2) -0.01648(8) 0.0278(3) 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 0.02224(7) 0.02524(8) 0.01440(7) -0.00050(5) -0.00715(5) 0.00024(5) Ag2 0.02436(7) 0.01702(7) 0.02044(7) -0.00798(5) -0.00672(5) 0.00446(5) O1W 0.0300(7) 0.0207(7) 0.0197(7) -0.0073(6) 0.0015(6) -0.0050(6) N11 0.0180(7) 0.0156(7) 0.0136(7) -0.0023(5) -0.0042(5) -0.0001(5) C12 0.0131(7) 0.0119(7) 0.0149(7) -0.0025(6) -0.0021(6) -0.0007(5) N13 0.0158(6) 0.0124(6) 0.0161(7) -0.0027(5) -0.0025(5) -0.0010(5) C14 0.0185(8) 0.0175(8) 0.0157(8) 0.0015(6) -0.0038(6) -0.0019(6) C15 0.0214(8) 0.0193(8) 0.0145(8) -0.0019(6) -0.0041(6) -0.0007(7) N21 0.0174(7) 0.0167(7) 0.0139(7) -0.0025(5) -0.0028(5) -0.0001(5) C22 0.0158(7) 0.0171(8) 0.0158(8) -0.0052(6) -0.0013(6) -0.0020(6) C23 0.0159(7) 0.0136(7) 0.0157(8) -0.0027(6) -0.0016(6) -0.0012(6) C24 0.0123(7) 0.0141(7) 0.0143(7) -0.0031(6) -0.0016(6) -0.0014(6) C25 0.0227(8) 0.0139(8) 0.0160(8) -0.0028(6) -0.0051(7) -0.0015(6) C26 0.0255(9) 0.0156(8) 0.0152(8) -0.0018(6) -0.0049(7) 0.0009(7) N31 0.0210(7) 0.0154(7) 0.0133(7) -0.0020(5) -0.0041(6) -0.0001(5) C32 0.0150(7) 0.0145(7) 0.0142(7) -0.0034(6) -0.0015(6) -0.0007(6) N33 0.0220(7) 0.0156(7) 0.0153(7) -0.0045(6) -0.0039(6) 0.0015(6) C34 0.0269(9) 0.0199(9) 0.0152(8) -0.0041(7) -0.0036(7) 0.0001(7) C35 0.0253(9) 0.0196(9) 0.0132(8) -0.0016(6) -0.0053(7) -0.0002(7) N41 0.0153(6) 0.0186(7) 0.0141(7) -0.0014(5) -0.0021(5) -0.0020(5) C42 0.0153(7) 0.0151(8) 0.0171(8) -0.0010(6) -0.0011(6) 0.0000(6) C43 0.0156(7) 0.0144(8) 0.0163(8) -0.0029(6) -0.0007(6) -0.0012(6) C44 0.0132(7) 0.0140(7) 0.0136(7) -0.0019(6) -0.0012(6) -0.0013(6) C45 0.0169(7) 0.0151(8) 0.0150(8) -0.0026(6) -0.0036(6) -0.0019(6) C46 0.0182(8) 0.0176(8) 0.0134(8) -0.0039(6) -0.0033(6) -0.0018(6) N51 0.0274(8) 0.0141(7) 0.0330(10) -0.0099(7) -0.0111(7) 0.0015(6) O53 0.0662(13) 0.0259(9) 0.0459(11) -0.0131(8) -0.0336(10) 0.0225(9) O51 0.0344(8) 0.0246(8) 0.0351(9) -0.0081(7) 0.0044(7) -0.0033(6) O52 0.0281(7) 0.0281(8) 0.0292(8) -0.0137(6) -0.0058(6) 0.0034(6) N61 0.0224(8) 0.0229(8) 0.0170(7) -0.0026(6) -0.0045(6) -0.0032(6) O61 0.0347(9) 0.0394(10) 0.0423(10) -0.0287(8) 0.0079(7) -0.0060(7) O62 0.0585(13) 0.0543(14) 0.0539(13) 0.0345(11) 0.0021(11) 0.0088(11) O63 0.0358(8) 0.0305(8) 0.0176(7) -0.0088(6) -0.0001(6) -0.0018(6) _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 N21 2.1509(15) . ? Ag1 N41 2.1647(15) 2_565 ? Ag2 N11 2.1367(15) . ? Ag2 N31 2.1388(15) . ? O1W H1A 0.79(2) . ? O1W H1B 0.79(2) . ? O2W H2A 0.78(3) . ? O2W H2B 0.80(3) . ? N11 C12 1.340(2) . ? N11 C15 1.383(2) . ? C12 N13 1.348(2) . ? C12 C24 1.462(2) . ? N13 C14 1.366(2) . ? N13 H13 0.84(3) . ? C14 C15 1.362(3) . ? C14 H14 0.9500 . ? C15 H15 0.9500 . ? N21 C26 1.344(2) . ? N21 C22 1.346(2) . ? C22 C23 1.380(2) . ? C22 H22 0.9500 . ? C23 C24 1.395(2) . ? C23 H23 0.9500 . ? C24 C25 1.397(2) . ? C25 C26 1.386(2) . ? C25 H25 0.9500 . ? C26 H26 0.9500 . ? N31 C32 1.332(2) . ? N31 C35 1.380(2) . ? C32 N33 1.356(2) . ? C32 C44 1.463(2) . ? N33 C34 1.364(2) . ? N33 H33 0.81(3) . ? C34 C35 1.365(3) . ? C34 H34 0.9500 . ? C35 H35 0.9500 . ? N41 C46 1.341(2) . ? N41 C42 1.347(2) . ? N41 Ag1 2.1647(15) 2_565 ? C42 C43 1.385(2) . ? C42 H42 0.9500 . ? C43 C44 1.395(2) . ? C43 H43 0.9500 . ? C44 C45 1.390(2) . ? C45 C46 1.384(2) . ? C45 H45 0.9500 . ? C46 H46 0.9500 . ? N51 O51 1.245(3) . ? N51 O52 1.249(2) . ? N51 O53 1.249(2) . ? N61 O62 1.234(2) . ? N61 O63 1.236(2) . ? N61 O61 1.248(2) . ? 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 N21 Ag1 N41 169.89(6) . 2_565 ? N11 Ag2 N31 167.69(6) . . ? H1A O1W H1B 108(2) . . ? H2A O2W H2B 107(3) . . ? C12 N11 C15 105.97(15) . . ? C12 N11 Ag2 136.47(12) . . ? C15 N11 Ag2 116.39(12) . . ? N11 C12 N13 109.95(15) . . ? N11 C12 C24 127.14(15) . . ? N13 C12 C24 122.90(15) . . ? C12 N13 C14 108.56(15) . . ? C12 N13 H13 126.2(17) . . ? C14 N13 H13 125.2(17) . . ? C15 C14 N13 106.17(15) . . ? C15 C14 H14 126.9 . . ? N13 C14 H14 126.9 . . ? C14 C15 N11 109.35(16) . . ? C14 C15 H15 125.3 . . ? N11 C15 H15 125.3 . . ? C26 N21 C22 118.07(15) . . ? C26 N21 Ag1 119.99(12) . . ? C22 N21 Ag1 121.74(12) . . ? N21 C22 C23 122.52(16) . . ? N21 C22 H22 118.7 . . ? C23 C22 H22 118.7 . . ? C22 C23 C24 119.77(16) . . ? C22 C23 H23 120.1 . . ? C24 C23 H23 120.1 . . ? C23 C24 C25 117.44(16) . . ? C23 C24 C12 120.53(15) . . ? C25 C24 C12 122.03(16) . . ? C26 C25 C24 119.35(17) . . ? C26 C25 H25 120.3 . . ? C24 C25 H25 120.3 . . ? N21 C26 C25 122.66(17) . . ? N21 C26 H26 118.7 . . ? C25 C26 H26 118.7 . . ? C32 N31 C35 106.29(15) . . ? C32 N31 Ag2 134.09(12) . . ? C35 N31 Ag2 118.94(12) . . ? N31 C32 N33 109.83(15) . . ? N31 C32 C44 126.73(16) . . ? N33 C32 C44 123.43(15) . . ? C32 N33 C34 108.51(16) . . ? C32 N33 H33 127.8(18) . . ? C34 N33 H33 123.6(18) . . ? N33 C34 C35 105.99(16) . . ? N33 C34 H34 127.0 . . ? C35 C34 H34 127.0 . . ? C34 C35 N31 109.38(16) . . ? C34 C35 H35 125.3 . . ? N31 C35 H35 125.3 . . ? C46 N41 C42 117.38(15) . . ? C46 N41 Ag1 118.14(12) . 2_565 ? C42 N41 Ag1 124.47(12) . 2_565 ? N41 C42 C43 122.94(16) . . ? N41 C42 H42 118.5 . . ? C43 C42 H42 118.5 . . ? C42 C43 C44 119.27(17) . . ? C42 C43 H43 120.4 . . ? C44 C43 H43 120.4 . . ? C45 C44 C43 117.87(16) . . ? C45 C44 C32 121.16(15) . . ? C43 C44 C32 120.95(16) . . ? C46 C45 C44 119.17(16) . . ? C46 C45 H45 120.4 . . ? C44 C45 H45 120.4 . . ? N41 C46 C45 123.37(17) . . ? N41 C46 H46 118.3 . . ? C45 C46 H46 118.3 . . ? O51 N51 O52 120.78(17) . . ? O51 N51 O53 119.49(19) . . ? O52 N51 O53 119.7(2) . . ? O62 N61 O63 119.9(2) . . ? O62 N61 O61 119.2(2) . . ? O63 N61 O61 120.85(18) . . ? 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 N31 Ag2 N11 C12 154.2(3) . . . . ? N31 Ag2 N11 C15 -11.4(4) . . . . ? C15 N11 C12 N13 0.7(2) . . . . ? Ag2 N11 C12 N13 -165.84(14) . . . . ? C15 N11 C12 C24 179.52(17) . . . . ? Ag2 N11 C12 C24 13.0(3) . . . . ? N11 C12 N13 C14 -0.9(2) . . . . ? C24 C12 N13 C14 -179.76(16) . . . . ? C12 N13 C14 C15 0.7(2) . . . . ? N13 C14 C15 N11 -0.2(2) . . . . ? C12 N11 C15 C14 -0.3(2) . . . . ? Ag2 N11 C15 C14 169.42(13) . . . . ? N41 Ag1 N21 C26 128.1(3) 2_565 . . . ? N41 Ag1 N21 C22 -57.1(4) 2_565 . . . ? C26 N21 C22 C23 2.8(3) . . . . ? Ag1 N21 C22 C23 -172.08(14) . . . . ? N21 C22 C23 C24 0.8(3) . . . . ? C22 C23 C24 C25 -4.0(3) . . . . ? C22 C23 C24 C12 175.44(17) . . . . ? N11 C12 C24 C23 -171.02(18) . . . . ? N13 C12 C24 C23 7.6(3) . . . . ? N11 C12 C24 C25 8.4(3) . . . . ? N13 C12 C24 C25 -172.96(17) . . . . ? C23 C24 C25 C26 3.7(3) . . . . ? C12 C24 C25 C26 -175.76(17) . . . . ? C22 N21 C26 C25 -3.1(3) . . . . ? Ag1 N21 C26 C25 171.84(15) . . . . ? C24 C25 C26 N21 -0.1(3) . . . . ? N11 Ag2 N31 C32 -172.3(2) . . . . ? N11 Ag2 N31 C35 18.7(4) . . . . ? C35 N31 C32 N33 -0.1(2) . . . . ? Ag2 N31 C32 N33 -170.15(14) . . . . ? C35 N31 C32 C44 -179.28(18) . . . . ? Ag2 N31 C32 C44 10.7(3) . . . . ? N31 C32 N33 C34 0.2(2) . . . . ? C44 C32 N33 C34 179.41(17) . . . . ? C32 N33 C34 C35 -0.2(2) . . . . ? N33 C34 C35 N31 0.1(2) . . . . ? C32 N31 C35 C34 0.0(2) . . . . ? Ag2 N31 C35 C34 171.81(14) . . . . ? C46 N41 C42 C43 0.0(3) . . . . ? Ag1 N41 C42 C43 179.62(13) 2_565 . . . ? N41 C42 C43 C44 -0.8(3) . . . . ? C42 C43 C44 C45 1.1(3) . . . . ? C42 C43 C44 C32 -177.25(17) . . . . ? N31 C32 C44 C45 10.0(3) . . . . ? N33 C32 C44 C45 -169.03(18) . . . . ? N31 C32 C44 C43 -171.69(18) . . . . ? N33 C32 C44 C43 9.3(3) . . . . ? C43 C44 C45 C46 -0.8(3) . . . . ? C32 C44 C45 C46 177.60(17) . . . . ? C42 N41 C46 C45 0.4(3) . . . . ? Ag1 N41 C46 C45 -179.26(14) 2_565 . . . ? C44 C45 C46 N41 0.0(3) . . . . ? 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 N13 H13 O1W 0.84(3) 1.93(3) 2.751(2) 166(2) . N33 H33 O53 0.81(3) 2.04(3) 2.838(2) 168(3) 1_475 O1W H1A O51 0.79(2) 2.03(2) 2.822(2) 174(3) . O1W H1B O61 0.79(2) 2.17(2) 2.910(2) 156(3) . O2W H2A O53 0.78(3) 2.22(5) 2.818(4) 134(6) . O2W H2B O52 0.80(3) 2.28(3) 3.079(4) 177(6) 2_736 _diffrn_measured_fraction_theta_max 0.919 _diffrn_reflns_theta_full 30.00 _diffrn_measured_fraction_theta_full 0.987 _refine_diff_density_max 0.700 _refine_diff_density_min -0.553 _refine_diff_density_rms 0.098