# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2005 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'Prof Dario Braga' _publ_contact_author_address ; Bologna ITALY ; _publ_contact_author_email DARIO.BRAGA@UNIBO.IT _publ_section_title ; Mechanochemical and Solution Reactions Between AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination Network {Ag[H2NC6H10NH2]+} ; loop_ _publ_author_name 'Dario Braga' 'Marco Curzi' 'F. Grepioni' 'Marco Polito' data_1.MeOH.0.5H2O _database_code_depnum_ccdc_archive 'CCDC 266477' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C9 H21 Ag N2 O3.50' _chemical_formula_weight 321.15 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 21.5739(10) _cell_length_b 9.8443(10) _cell_length_c 15.7727(10) _cell_angle_alpha 90.00 _cell_angle_beta 125.341(10) _cell_angle_gamma 90.00 _cell_volume 2732.5(4) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description prism _exptl_crystal_colour colourless _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.24 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.561 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1312 _exptl_absorpt_coefficient_mu 1.473 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _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 ? _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 2488 _diffrn_reflns_av_R_equivalents 0.0291 _diffrn_reflns_av_sigmaI/netI 0.0205 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 3.17 _diffrn_reflns_theta_max 24.98 _reflns_number_total 2393 _reflns_number_gt 1714 _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^)+(0.0703P)^2^+2.0515P] 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 0.0022(2) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 2393 _refine_ls_number_parameters 147 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0526 _refine_ls_R_factor_gt 0.0320 _refine_ls_wR_factor_ref 0.0966 _refine_ls_wR_factor_gt 0.0842 _refine_ls_goodness_of_fit_ref 0.950 _refine_ls_restrained_S_all 0.950 _refine_ls_shift/su_max 0.008 _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 0.422870(14) 0.50383(2) 0.12826(2) 0.04711(16) Uani 1 1 d . . . C1 C 0.32915(19) 0.7687(3) 0.0349(3) 0.0430(8) Uani 1 1 d . . . H1 H 0.3281 0.8642 0.0166 0.052 Uiso 1 1 calc R . . C2 C 0.3079(2) 0.7609(4) 0.1113(3) 0.0455(8) Uani 1 1 d . . . H2A H 0.3128 0.6677 0.1344 0.055 Uiso 1 1 calc R . . H2B H 0.3430 0.8160 0.1717 0.055 Uiso 1 1 calc R . . C3 C 0.2724(2) 0.6906(3) -0.0640(3) 0.0459(8) Uani 1 1 d . . . H3A H 0.2846 0.7027 -0.1137 0.055 Uiso 1 1 calc R . . H3B H 0.2759 0.5945 -0.0482 0.055 Uiso 1 1 calc R . . C4 C 0.20121(17) 0.2488(3) 0.0366(3) 0.0421(8) Uani 1 1 d . . . H4A H 0.1702 0.2975 0.0528 0.051 Uiso 1 1 calc R . . H4B H 0.2005 0.1533 0.0512 0.051 Uiso 1 1 calc R . . C5 C 0.28238(18) 0.3016(3) 0.1049(2) 0.0414(8) Uani 1 1 d . . . H5A H 0.3031 0.2845 0.1773 0.050 Uiso 1 1 calc R . . H5B H 0.2825 0.3989 0.0956 0.050 Uiso 1 1 calc R . . C6 C 0.33214(17) 0.2333(3) 0.0781(3) 0.0391(7) Uani 1 1 d . . . H6 H 0.3343 0.1359 0.0925 0.047 Uiso 1 1 calc R . . N1 N 0.40693(16) 0.7155(3) 0.0826(2) 0.0458(7) Uani 1 1 d . . . H1' H 0.4163 0.7222 0.0339 0.039 Uiso 1 1 d . . . H2 H 0.4448 0.7730 0.1448 0.074 Uiso 1 1 d . . . N2 N 0.41057(15) 0.2886(3) 0.1441(2) 0.0444(7) Uani 1 1 d . . . H3 H 0.4293 0.2763 0.2156 0.092 Uiso 1 1 d . . . H4 H 0.4442 0.2360 0.1300 0.086 Uiso 1 1 d . . . C7 C 0.4296(2) 0.1383(4) 0.3763(3) 0.0501(9) Uani 1 1 d . . . C8 C 0.3948(4) 0.0126(4) 0.3881(6) 0.095(2) Uani 1 1 d . . . H8A H 0.4059 -0.0650 0.3621 0.143 Uiso 1 1 calc R . . H8B H 0.3407 0.0240 0.3494 0.143 Uiso 1 1 calc R . . H8C H 0.4156 -0.0010 0.4602 0.143 Uiso 1 1 calc R . . O1 O 0.42063(19) 0.2473(3) 0.4071(3) 0.0771(9) Uani 1 1 d . . . O2 O 0.46500(17) 0.1259(3) 0.3376(2) 0.0670(8) Uani 1 1 d . . . O3 O 0.5593(2) 0.4823(4) 0.1601(3) 0.0684(9) Uani 1 1 d . . . H30 H 0.560(3) 0.415(5) 0.138(3) 0.056(14) Uiso 1 1 d . . . C9 C 0.5912(3) 0.5753(5) 0.1292(4) 0.0774(14) Uani 1 1 d . . . H9A H 0.5767 0.6657 0.1339 0.116 Uiso 1 1 calc R . . H9B H 0.5733 0.5570 0.0587 0.116 Uiso 1 1 calc R . . H9C H 0.6455 0.5674 0.1737 0.116 Uiso 1 1 calc R . . O4 O 0.5000 0.9273(3) 0.2500 0.0580(9) Uani 1 2 d S . . 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 0.0381(2) 0.0384(2) 0.0566(2) -0.00208(11) 0.02267(17) -0.00036(11) C1 0.0464(19) 0.0334(15) 0.053(2) 0.0026(15) 0.0309(17) 0.0032(14) C2 0.0494(19) 0.0439(18) 0.0434(19) -0.0039(15) 0.0270(16) 0.0002(16) C3 0.056(2) 0.0443(18) 0.0464(19) -0.0025(15) 0.0350(18) 0.0041(16) C4 0.0361(17) 0.0421(17) 0.051(2) -0.0061(15) 0.0272(16) 0.0002(14) C5 0.0366(17) 0.0446(18) 0.0423(18) -0.0031(14) 0.0225(15) -0.0021(14) C6 0.0321(16) 0.0296(14) 0.0499(19) 0.0011(14) 0.0205(15) 0.0013(13) N1 0.0456(16) 0.0423(15) 0.0551(18) 0.0017(14) 0.0323(14) 0.0012(13) N2 0.0324(14) 0.0400(15) 0.0526(18) 0.0024(13) 0.0199(14) 0.0008(12) C7 0.061(2) 0.045(2) 0.055(2) 0.0008(15) 0.039(2) -0.0049(16) C8 0.140(6) 0.057(3) 0.137(6) -0.009(3) 0.108(5) -0.026(3) O1 0.114(3) 0.0520(16) 0.107(2) -0.0118(16) 0.088(2) -0.0073(16) O2 0.095(2) 0.0486(15) 0.095(2) -0.0008(14) 0.076(2) -0.0014(13) O3 0.079(2) 0.060(2) 0.089(2) 0.0102(16) 0.062(2) 0.0113(16) C9 0.083(3) 0.070(3) 0.076(3) -0.006(2) 0.045(3) -0.020(3) O4 0.070(2) 0.0341(17) 0.076(2) 0.000 0.046(2) 0.000 _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 N1 2.166(3) . ? Ag1 N2 2.168(3) . ? Ag1 Ag1 3.3223(8) 2_655 ? C1 N1 1.482(4) . ? C1 C2 1.519(5) . ? C1 C3 1.521(5) . ? C2 C3 1.513(5) 7_565 ? C3 C2 1.513(5) 7_565 ? C4 C5 1.521(4) . ? C4 C6 1.522(5) 7 ? C5 C6 1.519(5) . ? C6 N2 1.485(4) . ? C6 C4 1.522(5) 7 ? C7 O2 1.228(4) . ? C7 O1 1.239(4) . ? C7 C8 1.514(5) . ? O3 C9 1.392(6) . ? 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 N1 Ag1 N2 166.43(11) . . ? N1 Ag1 Ag1 104.16(8) . 2_655 ? N2 Ag1 Ag1 88.54(7) . 2_655 ? N1 C1 C2 110.6(3) . . ? N1 C1 C3 110.3(3) . . ? C2 C1 C3 110.7(3) . . ? C3 C2 C1 112.2(3) 7_565 . ? C2 C3 C1 111.1(3) 7_565 . ? C5 C4 C6 111.2(3) . 7 ? C4 C5 C6 111.2(3) . . ? N2 C6 C4 110.8(3) . 7 ? N2 C6 C5 110.2(3) . . ? C4 C6 C5 110.8(3) 7 . ? C1 N1 Ag1 115.1(2) . . ? C6 N2 Ag1 116.31(19) . . ? O2 C7 O1 124.4(4) . . ? O2 C7 C8 118.4(4) . . ? O1 C7 C8 117.3(4) . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 24.98 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 0.880 _refine_diff_density_min -0.803 _refine_diff_density_rms 0.092 data_1.4H2O _database_code_depnum_ccdc_archive 'CCDC 266478' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C8 H25 Ag N2 O6' _chemical_formula_weight 353.17 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 8.7808(13) _cell_length_b 12.810(4) _cell_length_c 13.706(3) _cell_angle_alpha 95.35(3) _cell_angle_beta 90.898(17) _cell_angle_gamma 108.90(2) _cell_volume 1450.5(6) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description prism _exptl_crystal_colour 'colour less' _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.17 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.617 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 728 _exptl_absorpt_coefficient_mu 1.407 _exptl_absorpt_correction_type Psi-scan _exptl_absorpt_correction_T_min 0.660 _exptl_absorpt_correction_T_max 1.000 _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 ? _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 5322 _diffrn_reflns_av_R_equivalents 0.0271 _diffrn_reflns_av_sigmaI/netI 0.0154 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 3.28 _diffrn_reflns_theta_max 24.97 _reflns_number_total 5090 _reflns_number_gt 4263 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _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^)+(0.0610P)^2^+0.5311P] 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 0.0053(6) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 5090 _refine_ls_number_parameters 308 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0414 _refine_ls_R_factor_gt 0.0328 _refine_ls_wR_factor_ref 0.0898 _refine_ls_wR_factor_gt 0.0849 _refine_ls_goodness_of_fit_ref 1.066 _refine_ls_restrained_S_all 1.066 _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 C1 C 0.8811(3) 0.0844(2) 0.7778(2) 0.0324(6) Uani 1 1 d . . . H1A H 0.8950 0.1268 0.8425 0.039 Uiso 1 1 calc R . . C1A C 0.8459(5) 0.3747(3) 0.9129(3) 0.0680(11) Uani 1 1 d . . . H11A H 0.8735 0.4481 0.8927 0.102 Uiso 1 1 calc R . . H12A H 0.8730 0.3268 0.8631 0.102 Uiso 1 1 calc R . . H13A H 0.9047 0.3770 0.9731 0.102 Uiso 1 1 calc R . . C2 C 0.9399(3) 0.1656(3) 0.7016(2) 0.0394(7) Uani 1 1 d . . . H2A H 0.8792 0.2169 0.7046 0.047 Uiso 1 1 calc R . . H2B H 0.9204 0.1252 0.6367 0.047 Uiso 1 1 calc R . . C2A C 0.6679(4) 0.3311(3) 0.9281(2) 0.0412(7) Uani 1 1 d . . . C3 C 0.1200(3) 0.2311(2) 0.7180(2) 0.0386(7) Uani 1 1 d . . . H3A H 0.1540 0.2800 0.6669 0.046 Uiso 1 1 calc R . . H3B H 0.1386 0.2764 0.7806 0.046 Uiso 1 1 calc R . . C3A C -0.6745(4) 0.6630(3) 0.4361(2) 0.0405(7) Uani 1 1 d . . . C4 C 0.2187(3) 0.1532(2) 0.7170(2) 0.0309(6) Uani 1 1 d . . . H4A H 0.2012 0.1102 0.6524 0.037 Uiso 1 1 calc R . . C4A C -0.8547(4) 0.6074(3) 0.4250(3) 0.0618(10) Uani 1 1 d . . . H41A H -0.8785 0.5295 0.4061 0.093 Uiso 1 1 calc R . . H42A H -0.8984 0.6394 0.3756 0.093 Uiso 1 1 calc R . . H43A H -0.9018 0.6178 0.4864 0.093 Uiso 1 1 calc R . . C5 C 0.1632(4) 0.0731(3) 0.7935(2) 0.0400(7) Uani 1 1 d . . . H5A H 0.1841 0.1139 0.8583 0.048 Uiso 1 1 calc R . . H5B H 0.2237 0.0217 0.7899 0.048 Uiso 1 1 calc R . . C6 C 0.9836(4) 0.0086(3) 0.7780(3) 0.0436(7) Uani 1 1 d . . . H6A H 0.9649 -0.0379 0.7160 0.052 Uiso 1 1 calc R . . H6B H 0.9505 -0.0397 0.8298 0.052 Uiso 1 1 calc R . . C7 C 1.2378(3) 0.6968(2) 0.7236(2) 0.0321(6) Uani 1 1 d . . . H7A H 1.2131 0.6618 0.6559 0.038 Uiso 1 1 calc R . . C8 C 1.2179(3) 0.6062(3) 0.7913(2) 0.0379(7) Uani 1 1 d . . . H8A H 1.1090 0.5542 0.7824 0.045 Uiso 1 1 calc R . . H8B H 1.2337 0.6391 0.8589 0.045 Uiso 1 1 calc R . . C9 C 1.4120(3) 0.7744(2) 0.7314(2) 0.0354(6) Uani 1 1 d . . . H9A H 1.4354 0.8136 0.7968 0.042 Uiso 1 1 calc R . . H9B H 1.4251 0.8290 0.6849 0.042 Uiso 1 1 calc R . . C10 C 0.5108(3) 0.6230(2) 0.7799(2) 0.0318(6) Uani 1 1 d . . . H10 H 0.5327 0.6590 0.8473 0.038 Uiso 1 1 calc R . . C11 C 0.3378(4) 0.5438(2) 0.7711(2) 0.0382(7) Uani 1 1 d . . . H11A' H 0.3250 0.4891 0.8175 0.046 Uiso 1 1 calc R . . H11B H 0.3154 0.5048 0.7056 0.046 Uiso 1 1 calc R . . C12 C 1.5319(3) 0.7121(2) 0.7111(2) 0.0376(6) Uani 1 1 d . . . H12A' H 1.5156 0.6784 0.6438 0.045 Uiso 1 1 calc R . . H12B H 1.6409 0.7639 0.7197 0.045 Uiso 1 1 calc R . . Ag2 Ag 0.87461(3) 0.66666(2) 0.755311(18) 0.04283(11) Uani 1 1 d . . . Ag1 Ag 0.55027(3) 0.11772(2) 0.745458(19) 0.04523(11) Uani 1 1 d . . . N1 N 0.7082(3) 0.0225(2) 0.75825(19) 0.0385(6) Uani 1 1 d . . . N2 N 0.3936(3) 0.2151(2) 0.73288(19) 0.0405(6) Uani 1 1 d . . . N3 N 1.1249(3) 0.7584(2) 0.74690(18) 0.0382(5) Uani 1 1 d . . . N4 N 0.6297(3) 0.5634(2) 0.75928(19) 0.0384(6) Uani 1 1 d . . . O1 O 0.5858(3) 0.3913(2) 0.9113(2) 0.0607(7) Uani 1 1 d . . . O5A O 0.2250(3) 0.8998(2) 0.55801(19) 0.0563(6) Uani 1 1 d . . . O2 O 0.6113(3) 0.23634(19) 0.95467(19) 0.0557(6) Uani 1 1 d . . . O8A O -0.3263(3) 0.91084(19) 0.54120(18) 0.0540(6) Uani 1 1 d . . . O3 O -0.5854(3) 0.6059(2) 0.4168(2) 0.0570(6) Uani 1 1 d . . . O4A O 0.7858(3) 0.1225(2) 0.04135(18) 0.0525(6) Uani 1 1 d . . . O4 O -0.6226(3) 0.7655(2) 0.4615(2) 0.0584(6) Uani 1 1 d . . . O2A O 1.1201(3) 0.2063(2) 0.0606(2) 0.0601(7) Uani 1 1 d . . . O3A O 1.3419(3) 0.09510(19) 0.04442(18) 0.0508(6) Uani 1 1 d . . . O7A O -0.2942(3) 0.5948(2) 0.4876(2) 0.0642(7) Uani 1 1 d . . . O6A O -0.1026(3) 0.8037(2) 0.5619(2) 0.0718(8) Uani 1 1 d . . . O1A O 1.2932(3) 0.3913(2) -0.0186(2) 0.0636(7) Uani 1 1 d . . . H3 H 0.4091 0.2590 0.7879 0.072 Uiso 1 1 d . . . H4 H 0.4274 0.2524 0.6818 0.065 Uiso 1 1 d . . . H1 H 0.6687 -0.0170 0.8006 0.038 Uiso 1 1 d . . . H2 H 0.6908 -0.0155 0.7076 0.054 Uiso 1 1 d . . . H7 H 0.6299 0.5144 0.8043 0.059 Uiso 1 1 d . . . H8 H 0.6143 0.5213 0.6929 0.068 Uiso 1 1 d . . . H6 H 1.1351 0.7955 0.7102 0.048 Uiso 1 1 d . . . H5 H 1.1600 0.7897 0.7979 0.040 Uiso 1 1 d . . . H20B H 1.0443 0.1954 0.0580 0.079 Uiso 1 1 d . . . H20A H 1.1526 0.2590 0.0241 0.067 Uiso 1 1 d . . . H70A H -0.3186 0.5258 0.5160 0.128 Uiso 1 1 d . . . H70B H -0.3905 0.5927 0.4740 0.099 Uiso 1 1 d . . . H30A H 1.4444 0.1555 0.0199 0.082 Uiso 1 1 d . . . H30B H 1.2787 0.1257 0.0479 0.085 Uiso 1 1 d . . . H40A H 0.7296 0.1583 0.0179 0.050 Uiso 1 1 d . . . H40B H 0.7381 0.0469 0.0149 0.050 Uiso 1 1 d . . . H50A H 0.2544 0.8579 0.5308 0.050 Uiso 1 1 d . . . H50B H 0.1296 0.8739 0.5539 0.050 Uiso 1 1 d . . . H10A H 1.3271 0.4595 0.0151 0.050 Uiso 1 1 d . . . H10B H 1.3866 0.3866 -0.0362 0.050 Uiso 1 1 d . . . H80B H -0.2984 0.9606 0.5145 0.050 Uiso 1 1 d . . . H80A H -0.4184 0.8594 0.5133 0.050 Uiso 1 1 d . . . H60B H -0.1840 0.8288 0.5686 0.050 Uiso 1 1 d . . . H60A H -0.1570 0.7382 0.5256 0.050 Uiso 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 0.0272(14) 0.0319(14) 0.0364(14) 0.0058(11) 0.0044(11) 0.0069(11) C1A 0.055(2) 0.059(2) 0.088(3) 0.016(2) 0.015(2) 0.0142(19) C2 0.0301(15) 0.0421(17) 0.0481(17) 0.0175(14) -0.0018(13) 0.0114(13) C2A 0.0484(18) 0.0382(17) 0.0361(15) 0.0020(13) 0.0001(13) 0.0135(14) C3 0.0309(15) 0.0319(15) 0.0543(18) 0.0163(13) 0.0041(13) 0.0086(12) C3A 0.0427(17) 0.0412(17) 0.0374(15) 0.0096(13) 0.0010(13) 0.0120(14) C4 0.0223(13) 0.0346(14) 0.0329(14) 0.0033(11) 0.0015(10) 0.0053(11) C4A 0.044(2) 0.052(2) 0.087(3) 0.017(2) -0.0017(19) 0.0086(17) C5 0.0307(15) 0.0422(17) 0.0526(18) 0.0173(14) 0.0017(13) 0.0158(13) C6 0.0322(16) 0.0371(16) 0.066(2) 0.0220(15) 0.0104(14) 0.0128(13) C7 0.0299(14) 0.0361(15) 0.0303(13) 0.0044(11) 0.0011(11) 0.0108(12) C8 0.0253(14) 0.0408(16) 0.0458(16) 0.0129(13) 0.0064(12) 0.0060(12) C9 0.0261(14) 0.0298(14) 0.0501(17) 0.0127(12) 0.0030(12) 0.0067(11) C10 0.0283(14) 0.0318(14) 0.0369(14) 0.0033(11) -0.0016(11) 0.0121(11) C11 0.0325(16) 0.0300(14) 0.0502(17) 0.0128(13) 0.0021(13) 0.0050(12) C12 0.0276(14) 0.0361(15) 0.0491(17) 0.0132(13) 0.0072(12) 0.0078(12) Ag2 0.02764(15) 0.04896(17) 0.05422(17) 0.00444(11) 0.00104(10) 0.01601(11) Ag1 0.02548(15) 0.04852(17) 0.06280(18) 0.00539(12) 0.00196(11) 0.01375(11) N1 0.0251(12) 0.0374(13) 0.0509(15) 0.0069(11) 0.0052(10) 0.0064(10) N2 0.0222(12) 0.0451(15) 0.0521(15) 0.0092(12) 0.0015(10) 0.0068(11) N3 0.0346(13) 0.0427(14) 0.0414(13) 0.0080(11) 0.0015(10) 0.0175(11) N4 0.0343(13) 0.0377(13) 0.0469(14) 0.0051(11) 0.0013(11) 0.0167(11) O1 0.0635(16) 0.0488(14) 0.0761(17) 0.0172(13) 0.0085(13) 0.0241(13) O5A 0.0560(15) 0.0564(15) 0.0613(15) 0.0072(12) 0.0055(12) 0.0247(12) O2 0.0515(14) 0.0408(13) 0.0740(17) 0.0174(12) -0.0034(12) 0.0114(11) O8A 0.0531(14) 0.0420(13) 0.0604(15) 0.0093(11) 0.0015(11) 0.0058(11) O3 0.0532(14) 0.0502(14) 0.0701(16) -0.0012(12) -0.0010(12) 0.0225(12) O4A 0.0547(14) 0.0448(13) 0.0583(14) 0.0034(11) -0.0084(11) 0.0178(11) O4 0.0481(14) 0.0400(13) 0.0834(18) -0.0003(12) 0.0057(13) 0.0110(11) O2A 0.0531(15) 0.0569(15) 0.0754(17) 0.0221(13) 0.0130(13) 0.0202(12) O3A 0.0471(13) 0.0451(13) 0.0595(14) 0.0085(11) -0.0011(11) 0.0133(11) O7A 0.0561(16) 0.0521(15) 0.0844(19) 0.0132(13) 0.0038(14) 0.0160(12) O6A 0.0564(16) 0.0682(18) 0.089(2) -0.0087(15) -0.0017(14) 0.0234(14) O1A 0.0622(16) 0.0509(15) 0.0762(18) 0.0139(13) 0.0115(13) 0.0142(12) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 N1 1.475(4) . ? C1 C2 1.521(4) . ? C1 C6 1.523(4) . ? C1A C2A 1.505(5) . ? C2 C3 1.532(4) 1_655 ? C2A O2 1.245(4) . ? C2A O1 1.247(4) . ? C3 C4 1.518(4) . ? C3 C2 1.532(4) 1_455 ? C3A O3 1.248(4) . ? C3A O4 1.255(4) . ? C3A C4A 1.508(5) . ? C4 N2 1.485(3) . ? C4 C5 1.511(4) . ? C5 C6 1.525(4) 1_455 ? C6 C5 1.525(4) 1_655 ? C7 N3 1.475(4) . ? C7 C8 1.521(4) . ? C7 C9 1.526(4) . ? C8 C11 1.530(4) 1_655 ? C9 C12 1.528(4) . ? C10 N4 1.496(4) . ? C10 C12 1.515(4) 1_455 ? C10 C11 1.524(4) . ? C11 C8 1.530(4) 1_455 ? C12 C10 1.515(4) 1_655 ? Ag2 N4 2.134(3) . ? Ag2 N3 2.141(3) . ? Ag1 N1 2.137(3) . ? Ag1 N2 2.150(3) . ? 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 N1 C1 C2 109.7(2) . . ? N1 C1 C6 112.7(2) . . ? C2 C1 C6 109.5(2) . . ? C1 C2 C3 111.8(2) . 1_655 ? O2 C2A O1 124.1(3) . . ? O2 C2A C1A 118.0(3) . . ? O1 C2A C1A 117.9(3) . . ? C4 C3 C2 110.8(2) . 1_455 ? O3 C3A O4 123.6(3) . . ? O3 C3A C4A 118.7(3) . . ? O4 C3A C4A 117.7(3) . . ? N2 C4 C5 110.3(2) . . ? N2 C4 C3 111.6(2) . . ? C5 C4 C3 110.4(2) . . ? C4 C5 C6 111.0(2) . 1_455 ? C1 C6 C5 112.4(3) . 1_655 ? N3 C7 C8 110.6(2) . . ? N3 C7 C9 111.2(2) . . ? C8 C7 C9 109.8(2) . . ? C7 C8 C11 111.7(2) . 1_655 ? C7 C9 C12 112.3(2) . . ? N4 C10 C12 109.9(2) . 1_455 ? N4 C10 C11 111.9(2) . . ? C12 C10 C11 110.4(2) 1_455 . ? C10 C11 C8 111.1(2) . 1_455 ? C10 C12 C9 110.7(2) 1_655 . ? N4 Ag2 N3 175.29(9) . . ? N1 Ag1 N2 179.38(9) . . ? C1 N1 Ag1 117.18(18) . . ? C4 N2 Ag1 116.69(19) . . ? C7 N3 Ag2 118.63(18) . . ? C10 N4 Ag2 115.55(18) . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 24.97 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.937 _refine_diff_density_min -0.908 _refine_diff_density_rms 0.110 data_1.3H2O _database_code_depnum_ccdc_archive 'CCDC 266479' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C8 H23 Ag N2 O5' _chemical_formula_weight 335.15 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 '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' _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 6.108(4) _cell_length_b 10.180(4) _cell_length_c 11.849(4) _cell_angle_alpha 105.91(3) _cell_angle_beta 97.78(3) _cell_angle_gamma 99.37(4) _cell_volume 686.4(6) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description Prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.19 _exptl_crystal_size_mid 0.17 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.622 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 344 _exptl_absorpt_coefficient_mu 1.477 _exptl_absorpt_correction_type Psi-scan _exptl_absorpt_correction_T_min 0.756 _exptl_absorpt_correction_T_max 1.000 _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 ? _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 2529 _diffrn_reflns_av_R_equivalents 0.0428 _diffrn_reflns_av_sigmaI/netI 0.0199 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 3.19 _diffrn_reflns_theta_max 24.99 _reflns_number_total 2401 _reflns_number_gt 2112 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _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^)+(0.0595P)^2^+1.0936P] 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 2401 _refine_ls_number_parameters 178 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0354 _refine_ls_R_factor_gt 0.0273 _refine_ls_wR_factor_ref 0.0753 _refine_ls_wR_factor_gt 0.0689 _refine_ls_goodness_of_fit_ref 0.817 _refine_ls_restrained_S_all 0.817 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.001 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 -0.1268(6) -0.0257(3) 0.3785(3) 0.0386(7) Uani 1 1 d . . . H5 H -0.2404 -0.1091 0.3710 0.046 Uiso 1 1 calc R . . C2 C 0.1046(7) -0.0589(4) 0.3986(3) 0.0482(8) Uani 1 1 d . . . H7A H 0.2180 0.0202 0.3994 0.058 Uiso 1 1 calc R . . H7B H 0.1139 -0.1385 0.3334 0.058 Uiso 1 1 calc R . . C3 C -0.1530(6) 0.0919(4) 0.4826(3) 0.0462(8) Uani 1 1 d . . . H6A H -0.3057 0.1074 0.4697 0.055 Uiso 1 1 calc R . . H6B H -0.0497 0.1770 0.4868 0.055 Uiso 1 1 calc R . . C4 C 0.4162(5) 0.4754(3) 0.3719(3) 0.0323(6) Uani 1 1 d . . . H3 H 0.5060 0.5571 0.3589 0.039 Uiso 1 1 calc R . . C5 C 0.5752(5) 0.3910(4) 0.4139(3) 0.0384(7) Uani 1 1 d . . . H8A H 0.6699 0.3651 0.3555 0.046 Uiso 1 1 calc R . . H8B H 0.4879 0.3058 0.4207 0.046 Uiso 1 1 calc R . . C6 C 0.2761(5) 0.5251(4) 0.4653(3) 0.0377(7) Uani 1 1 d . . . H4A H 0.1781 0.4449 0.4742 0.045 Uiso 1 1 calc R . . H4B H 0.1814 0.5826 0.4385 0.045 Uiso 1 1 calc R . . O3 O 0.8969(5) 0.1529(3) 0.0216(3) 0.0506(6) Uani 1 1 d . . . O4 O -0.1126(5) 0.5392(3) 0.2033(3) 0.0647(8) Uani 1 1 d . . . O5 O 0.3984(5) 0.0675(4) 0.1577(3) 0.0536(7) Uani 1 1 d . . . N1 N -0.1639(6) 0.0115(3) 0.2660(3) 0.0438(7) Uani 1 1 d . . . N2 N 0.2633(5) 0.3909(3) 0.2585(3) 0.0360(6) Uani 1 1 d . . . H8 H -0.1495 0.6231 0.1644 0.050 Uiso 1 1 d . . . H7 H -0.1796 0.4784 0.1649 0.147 Uiso 1 1 d . . . H1 H -0.153(7) -0.066(5) 0.210(4) 0.051(11) Uiso 1 1 d . . . H2 H -0.317(9) 0.018(5) 0.252(4) 0.066(13) Uiso 1 1 d . . . H3' H 0.347(8) 0.377(5) 0.210(4) 0.056(13) Uiso 1 1 d . . . H4 H 0.180(6) 0.433(4) 0.238(3) 0.028(9) Uiso 1 1 d . . . H5' H 0.308(10) -0.002(7) 0.103(5) 0.091(19) Uiso 1 1 d . . . H6 H 0.449(11) 0.126(7) 0.135(6) 0.10(2) Uiso 1 1 d . . . H9 H 0.799(10) 0.197(6) 0.031(5) 0.088(19) Uiso 1 1 d . . . H10 H 1.013(10) 0.193(5) 0.008(5) 0.075(16) Uiso 1 1 d . . . Ag1 Ag 0.06050(4) 0.19287(3) 0.25344(2) 0.04162(11) Uani 1 1 d . . . C7 C 0.4049(7) 0.6671(5) 1.1217(4) 0.0559(10) Uani 1 1 d . . . H1A H 0.4880 0.6335 1.1787 0.084 Uiso 1 1 calc R . . H1B H 0.2741 0.5967 1.0774 0.084 Uiso 1 1 calc R . . H1C H 0.3583 0.7500 1.1628 0.084 Uiso 1 1 calc R . . C8 C 0.5541(5) 0.7004(3) 1.0363(3) 0.0370(7) Uani 1 1 d . . . O1 O 0.4575(4) 0.7049(3) 0.9371(2) 0.0441(5) Uani 1 1 d . . . O2 O 0.7632(4) 0.7222(3) 1.0692(2) 0.0524(6) 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 0.0432(17) 0.0347(16) 0.0385(17) 0.0174(14) 0.0020(14) 0.0038(13) C2 0.057(2) 0.055(2) 0.0431(19) 0.0203(16) 0.0165(16) 0.0246(17) C3 0.0489(19) 0.0520(19) 0.050(2) 0.0251(16) 0.0115(16) 0.0251(16) C4 0.0323(15) 0.0357(15) 0.0312(15) 0.0142(12) 0.0053(12) 0.0071(12) C5 0.0365(16) 0.0460(18) 0.0352(17) 0.0098(14) 0.0088(13) 0.0182(14) C6 0.0309(15) 0.0460(18) 0.0397(17) 0.0128(14) 0.0067(13) 0.0180(13) O3 0.0418(15) 0.0593(16) 0.0529(16) 0.0233(13) 0.0050(12) 0.0091(13) O4 0.0511(16) 0.0667(18) 0.077(2) 0.0342(16) -0.0095(14) 0.0124(13) O5 0.0523(16) 0.0514(16) 0.0572(18) 0.0210(15) 0.0058(13) 0.0074(13) N1 0.0457(17) 0.0429(16) 0.0392(16) 0.0164(14) -0.0014(13) 0.0005(13) N2 0.0379(15) 0.0409(15) 0.0324(15) 0.0162(12) 0.0045(12) 0.0099(12) Ag1 0.04348(16) 0.04384(17) 0.03740(16) 0.01892(11) 0.00164(10) 0.00231(11) C7 0.053(2) 0.074(3) 0.057(2) 0.039(2) 0.0201(18) 0.0185(19) C8 0.0394(17) 0.0316(15) 0.0429(18) 0.0151(13) 0.0115(14) 0.0061(13) O1 0.0423(13) 0.0543(14) 0.0406(13) 0.0222(11) 0.0092(10) 0.0087(11) O2 0.0374(13) 0.0626(16) 0.0606(16) 0.0280(13) 0.0068(12) 0.0063(11) _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 N1 1.482(4) . ? C1 C2 1.509(5) . ? C1 C3 1.512(5) . ? C2 C3 1.537(5) 2_556 ? C3 C2 1.537(5) 2_556 ? C4 N2 1.477(4) . ? C4 C5 1.518(4) . ? C4 C6 1.517(4) . ? C5 C6 1.526(5) 2_666 ? C6 C5 1.526(5) 2_666 ? N1 Ag1 2.166(3) . ? N2 Ag1 2.168(3) . ? C7 C8 1.519(5) . ? C8 O2 1.248(4) . ? C8 O1 1.258(4) . ? 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 N1 C1 C2 109.6(3) . . ? N1 C1 C3 110.4(3) . . ? C2 C1 C3 110.9(3) . . ? C1 C2 C3 111.1(3) . 2_556 ? C1 C3 C2 111.5(3) . 2_556 ? N2 C4 C5 110.6(3) . . ? N2 C4 C6 109.1(3) . . ? C5 C4 C6 110.6(3) . . ? C4 C5 C6 110.8(3) . 2_666 ? C4 C6 C5 111.7(3) . 2_666 ? C1 N1 Ag1 117.9(2) . . ? C4 N2 Ag1 118.0(2) . . ? N2 Ag1 N1 172.29(13) . . ? O2 C8 O1 124.5(3) . . ? O2 C8 C7 118.1(3) . . ? O1 C8 C7 117.4(3) . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 24.99 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 0.438 _refine_diff_density_min -0.749 _refine_diff_density_rms 0.102