data_global _journal_name_full CrystEngComm _journal_coden_Cambridge 1350 _journal_volume ? _journal_page_first ? _journal_year ? _publ_contact_author_name 'Ling, Yun' _publ_contact_author_email ymzhou@fudan.edu.cn _publ_section_title ; A novel green phosphorescent silver(I) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in-situ reaction ; loop_ _publ_author_name 'Yun Ling' 'Zhenxia Chen' 'Linhong Weng' 'Yaming Zhou' 'Dongyuan Zhao' # Attachment '- ESI data of CIF for Silver-triazole.cif' data_1 _database_code_depnum_ccdc_archive 'CCDC 789602' #TrackingRef '- ESI data of CIF for Silver-triazole.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C9 H12 Ag3 N7' _chemical_formula_weight 541.87 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' _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 14.506(5) _cell_length_b 6.418(2) _cell_length_c 16.250(5) _cell_angle_alpha 90.00 _cell_angle_beta 109.421(4) _cell_angle_gamma 90.00 _cell_volume 1426.8(8) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 1884 _cell_measurement_theta_min 2.66 _cell_measurement_theta_max 27.15 _exptl_crystal_description block _exptl_crystal_colour colorless _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 2.523 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1024 _exptl_absorpt_coefficient_mu 4.073 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6000 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 2866 _diffrn_reflns_av_R_equivalents 0.0313 _diffrn_reflns_av_sigmaI/netI 0.0295 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -6 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 2.66 _diffrn_reflns_theta_max 25.19 _reflns_number_total 1286 _reflns_number_gt 1112 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.0488P)^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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 1286 _refine_ls_number_parameters 90 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0361 _refine_ls_R_factor_gt 0.0311 _refine_ls_wR_factor_ref 0.0761 _refine_ls_wR_factor_gt 0.0740 _refine_ls_goodness_of_fit_ref 0.984 _refine_ls_restrained_S_all 0.984 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.84971(3) 0.85290(6) 0.60118(2) 0.04889(17) Uani 1 1 d . . . Ag2 Ag 1.0000 0.0000 0.5000 0.04587(18) Uani 1 2 d S . . C1 C 1.0144(4) 0.4069(8) 0.6345(3) 0.0483(12) Uani 1 1 d . . . H1A H 1.0184 0.5388 0.6634 0.072 Uiso 1 1 calc R . . H1B H 1.0725 0.3856 0.6197 0.072 Uiso 1 1 calc R . . H1C H 1.0084 0.2975 0.6727 0.072 Uiso 1 1 calc R . . C2 C 0.9280(3) 0.4053(6) 0.5541(3) 0.0399(10) Uani 1 1 d . . . C3 C 0.8228(3) 0.3080(6) 0.4331(3) 0.0402(10) Uani 1 1 d . . . C4 C 0.7738(4) 0.1893(8) 0.3522(4) 0.0585(14) Uani 1 1 d . . . H4A H 0.7179 0.2656 0.3165 0.088 Uiso 1 1 calc R . . H4B H 0.7532 0.0564 0.3669 0.088 Uiso 1 1 calc R . . H4C H 0.8186 0.1688 0.3208 0.088 Uiso 1 1 calc R . . C5 C 0.9685(4) 0.9096(7) 0.7191(3) 0.0610(13) Uani 0.50 1 d P . . N1 N 0.8591(3) 0.5506(6) 0.5320(2) 0.0423(9) Uani 1 1 d . . . N2 N 0.7912(3) 0.4866(5) 0.4538(3) 0.0439(9) Uani 1 1 d . . . N3 N 0.9082(3) 0.2514(5) 0.4942(2) 0.0406(9) Uani 1 1 d . . . N4 N 0.9685(4) 0.9096(7) 0.7191(3) 0.0610(13) Uani 0.50 1 d P . . 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 0.0392(3) 0.0476(3) 0.0538(3) -0.00048(15) 0.00725(18) 0.00904(15) Ag2 0.0437(3) 0.0362(3) 0.0613(4) 0.0015(2) 0.0223(2) 0.0130(2) C1 0.045(3) 0.044(3) 0.054(3) 0.005(2) 0.013(2) 0.011(2) C2 0.038(3) 0.036(2) 0.049(3) 0.007(2) 0.019(2) 0.007(2) C3 0.037(3) 0.037(2) 0.049(3) -0.002(2) 0.018(2) 0.0043(19) C4 0.050(3) 0.054(3) 0.068(4) -0.011(3) 0.016(3) 0.001(2) C5 0.060(3) 0.049(3) 0.057(3) -0.001(2) -0.003(2) 0.000(2) N1 0.036(2) 0.041(2) 0.046(2) -0.0027(17) 0.0075(17) 0.0108(16) N2 0.034(2) 0.043(2) 0.051(2) -0.0026(17) 0.0099(18) 0.0099(16) N3 0.038(2) 0.035(2) 0.051(2) 0.0014(17) 0.0179(17) 0.0061(16) N4 0.060(3) 0.049(3) 0.057(3) -0.001(2) -0.003(2) 0.000(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 C5 2.139(4) . ? Ag1 N2 2.196(4) 7_666 ? Ag1 N1 2.269(4) . ? Ag1 Ag2 3.2759(8) 1_565 ? Ag2 N3 2.074(3) 5_756 ? Ag2 N3 2.074(3) . ? Ag2 Ag1 3.2759(8) 1_545 ? Ag2 Ag1 3.2759(8) 5_766 ? C1 C2 1.480(6) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 N1 1.326(5) . ? C2 N3 1.348(5) . ? C3 N2 1.319(5) . ? C3 N3 1.355(6) . ? C3 C4 1.481(7) . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C5 N4 1.111(9) 2_756 ? C5 C5 1.111(9) 2_756 ? N1 N2 1.385(5) . ? N2 Ag1 2.196(4) 7_666 ? 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 C5 Ag1 N2 130.40(17) . 7_666 ? C5 Ag1 N1 115.22(16) . . ? N2 Ag1 N1 113.61(13) 7_666 . ? C5 Ag1 Ag2 85.89(16) . 1_565 ? N2 Ag1 Ag2 110.18(11) 7_666 1_565 ? N1 Ag1 Ag2 80.67(10) . 1_565 ? N3 Ag2 N3 180.0(2) 5_756 . ? N3 Ag2 Ag1 106.09(10) 5_756 1_545 ? N3 Ag2 Ag1 73.91(10) . 1_545 ? N3 Ag2 Ag1 73.91(10) 5_756 5_766 ? N3 Ag2 Ag1 106.09(10) . 5_766 ? Ag1 Ag2 Ag1 180.0 1_545 5_766 ? 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 . . ? N1 C2 N3 111.1(4) . . ? N1 C2 C1 125.1(4) . . ? N3 C2 C1 123.8(4) . . ? N2 C3 N3 110.9(4) . . ? N2 C3 C4 124.7(4) . . ? N3 C3 C4 124.4(4) . . ? C3 C4 H4A 109.5 . . ? C3 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? C3 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? N4 C5 C5 0.0(6) 2_756 2_756 ? N4 C5 Ag1 170.19(13) 2_756 . ? C5 C5 Ag1 170.19(13) 2_756 . ? C2 N1 N2 106.4(4) . . ? C2 N1 Ag1 129.1(3) . . ? N2 N1 Ag1 124.5(3) . . ? C3 N2 N1 106.9(4) . . ? C3 N2 Ag1 131.2(3) . 7_666 ? N1 N2 Ag1 121.1(3) . 7_666 ? C2 N3 C3 104.8(3) . . ? C2 N3 Ag2 123.9(3) . . ? C3 N3 Ag2 131.2(3) . . ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 25.19 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 0.951 _refine_diff_density_min -0.675 _refine_diff_density_rms 0.139 data_2 _database_code_depnum_ccdc_archive 'CCDC 789603' #TrackingRef '- ESI data of CIF for Silver-triazole.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C24 H40 Ag7 Cl N18 O6' _chemical_formula_weight 1467.28 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' Cl Cl 0.1484 0.1585 '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 7.252(4) _cell_length_b 11.319(7) _cell_length_c 15.859(9) _cell_angle_alpha 80.714(7) _cell_angle_beta 85.325(7) _cell_angle_gamma 78.239(7) _cell_volume 1256.2(13) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 3253 _cell_measurement_theta_min 2.61 _cell_measurement_theta_max 26.58 _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.21 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.940 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 704 _exptl_absorpt_coefficient_mu 2.774 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6000 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 6251 _diffrn_reflns_av_R_equivalents 0.0297 _diffrn_reflns_av_sigmaI/netI 0.0387 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.86 _diffrn_reflns_theta_max 25.20 _reflns_number_total 4428 _reflns_number_gt 3542 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _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. DFIX and ISOR commands are used in the final round refinement due to the disorder of perchlorate group and lattice water molecules ; _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^)+(0.0974P)^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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4428 _refine_ls_number_parameters 292 _refine_ls_number_restraints 34 _refine_ls_R_factor_all 0.0600 _refine_ls_R_factor_gt 0.0490 _refine_ls_wR_factor_ref 0.1470 _refine_ls_wR_factor_gt 0.1406 _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_restrained_S_all 1.064 _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 Cl1 Cl 0.1192(18) 0.9995(14) 0.3500(6) 0.203(7) Uani 0.50 1 d PD . . Ag1 Ag 0.5000 0.5000 0.5000 0.0781(4) Uani 1 2 d S . . Ag2 Ag 0.59520(9) 0.61984(5) 0.09213(3) 0.0464(2) Uani 1 1 d . . . Ag3 Ag 0.45468(9) 0.36127(5) 0.13343(4) 0.0468(2) Uani 1 1 d . . . Ag4 Ag 0.13584(8) 1.14588(5) -0.03061(4) 0.0510(2) Uani 1 1 d . . . N1 N 0.5287(12) 0.4936(7) 0.3695(4) 0.064(2) Uani 1 1 d . . . N2 N 0.5668(10) 0.5482(6) 0.2312(4) 0.0509(16) Uani 1 1 d . . . N3 N 0.5291(10) 0.4298(6) 0.2462(4) 0.0523(16) Uani 1 1 d . . . N4 N 0.4540(8) 0.7893(5) 0.0154(4) 0.0397(13) Uani 1 1 d . . . N5 N 0.4561(8) 0.8013(5) -0.0727(4) 0.0401(13) Uani 1 1 d . . . N6 N 0.2805(8) 0.9680(5) -0.0326(4) 0.0438(14) Uani 1 1 d . . . N7 N 0.9667(8) 0.3162(5) -0.0269(4) 0.0456(14) Uani 1 1 d . . . N8 N 0.7685(8) 0.4669(5) 0.0237(4) 0.0387(13) Uani 1 1 d . . . N9 N 0.7565(8) 0.4837(5) -0.0640(4) 0.0380(13) Uani 1 1 d . . . C1 C 0.6029(17) 0.7037(9) 0.3178(6) 0.077(3) Uani 1 1 d . . . H1A H 0.6566 0.7415 0.2656 0.116 Uiso 1 1 calc R . . H1B H 0.6896 0.6918 0.3624 0.116 Uiso 1 1 calc R . . H1C H 0.4870 0.7553 0.3335 0.116 Uiso 1 1 calc R . . C2 C 0.5646(13) 0.5838(7) 0.3052(4) 0.053(2) Uani 1 1 d . . . C3 C 0.5093(14) 0.4021(8) 0.3301(5) 0.060(2) Uani 1 1 d . . . C4 C 0.480(2) 0.2834(10) 0.3733(6) 0.098(4) Uani 1 1 d . . . H4A H 0.5986 0.2348 0.3917 0.147 Uiso 1 1 calc R . . H4B H 0.4283 0.2432 0.3347 0.147 Uiso 1 1 calc R . . H4C H 0.3944 0.2939 0.4222 0.147 Uiso 1 1 calc R . . C5 C 0.3018(13) 0.9123(7) 0.1264(5) 0.058(2) Uani 1 1 d . . . H5A H 0.1733 0.9543 0.1321 0.086 Uiso 1 1 calc R . . H5B H 0.3843 0.9611 0.1414 0.086 Uiso 1 1 calc R . . H5C H 0.3186 0.8356 0.1637 0.086 Uiso 1 1 calc R . . C6 C 0.3461(9) 0.8907(6) 0.0378(5) 0.0392(16) Uani 1 1 d . . . C7 C 0.3532(10) 0.9094(6) -0.0993(4) 0.0409(16) Uani 1 1 d . . . C8 C 0.3143(14) 0.9560(8) -0.1888(6) 0.068(2) Uani 1 1 d . . . H8A H 0.2127 0.9229 -0.2048 0.101 Uiso 1 1 calc R . . H8B H 0.4250 0.9324 -0.2243 0.101 Uiso 1 1 calc R . . H8C H 0.2795 1.0434 -0.1960 0.101 Uiso 1 1 calc R . . C9 C 0.9532(12) 0.3126(7) 0.1315(5) 0.055(2) Uani 1 1 d . . . H9A H 0.8691 0.3530 0.1726 0.082 Uiso 1 1 calc R . . H9B H 1.0795 0.3223 0.1381 0.082 Uiso 1 1 calc R . . H9C H 0.9483 0.2273 0.1407 0.082 Uiso 1 1 calc R . . C10 C 0.8961(10) 0.3666(6) 0.0446(5) 0.0414(16) Uani 1 1 d . . . C11 C 0.8780(10) 0.3920(6) -0.0915(5) 0.0406(16) Uani 1 1 d . . . C12 C 0.9157(12) 0.3782(8) -0.1826(5) 0.057(2) Uani 1 1 d . . . H12A H 0.8392 0.4448 -0.2171 0.086 Uiso 1 1 calc R . . H12B H 0.8860 0.3026 -0.1919 0.086 Uiso 1 1 calc R . . H12C H 1.0465 0.3782 -0.1980 0.086 Uiso 1 1 calc R . . O4 O 0.094(4) 0.8917(18) 0.3062(14) 0.217(15) Uani 0.50 1 d PDU . . O3 O 0.278(4) 0.958(3) 0.409(2) 0.32(3) Uani 0.50 1 d PDU . . O2 O -0.073(3) 1.027(3) 0.3983(18) 0.50(4) Uani 0.50 1 d PDU . . O1 O 0.150(5) 1.105(2) 0.2849(15) 0.33(3) Uani 0.50 1 d PDU . . O5 O 0.975(4) 0.381(4) 0.495(5) 0.33(3) Uani 0.50 1 d P . . O7 O 0.974(3) 0.498(5) 0.5757(12) 0.22(2) Uani 0.50 1 d P . . 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 Cl1 0.166(10) 0.30(2) 0.106(7) -0.041(9) -0.001(6) 0.046(12) Ag1 0.1198(10) 0.0813(8) 0.0333(5) -0.0136(4) 0.0007(5) -0.0175(7) Ag2 0.0570(4) 0.0350(3) 0.0413(3) -0.0041(2) -0.0045(2) 0.0040(2) Ag3 0.0549(4) 0.0345(3) 0.0479(3) -0.0139(2) -0.0027(3) 0.0042(3) Ag4 0.0426(4) 0.0249(3) 0.0806(4) -0.0132(3) -0.0040(3) 0.0092(2) N1 0.101(6) 0.061(5) 0.031(3) -0.012(3) -0.005(3) -0.012(4) N2 0.066(4) 0.040(4) 0.042(3) -0.005(3) -0.005(3) 0.000(3) N3 0.066(4) 0.047(4) 0.042(3) -0.003(3) -0.009(3) -0.004(3) N4 0.044(3) 0.025(3) 0.046(3) -0.005(2) -0.004(3) 0.002(2) N5 0.047(4) 0.021(3) 0.048(3) -0.008(2) -0.003(3) 0.005(2) N6 0.037(3) 0.023(3) 0.070(4) -0.012(3) -0.007(3) 0.002(2) N7 0.039(3) 0.030(3) 0.067(4) -0.014(3) 0.002(3) 0.001(3) N8 0.037(3) 0.027(3) 0.047(3) -0.004(2) 0.003(2) 0.004(2) N9 0.041(3) 0.022(3) 0.047(3) -0.008(2) -0.001(3) 0.004(2) C1 0.112(9) 0.059(6) 0.063(6) -0.027(4) -0.008(5) -0.008(6) C2 0.075(6) 0.046(4) 0.036(4) -0.011(3) -0.010(4) -0.002(4) C3 0.078(6) 0.056(5) 0.041(4) -0.005(4) -0.001(4) -0.008(4) C4 0.162(13) 0.068(7) 0.066(6) 0.000(5) 0.005(7) -0.038(8) C5 0.065(6) 0.040(4) 0.070(5) -0.023(4) 0.000(4) -0.002(4) C6 0.033(4) 0.025(3) 0.059(4) -0.012(3) 0.003(3) -0.001(3) C7 0.047(4) 0.022(3) 0.051(4) -0.002(3) -0.005(3) -0.001(3) C8 0.078(6) 0.040(5) 0.075(6) 0.007(4) -0.010(5) 0.003(4) C9 0.051(5) 0.040(4) 0.065(5) 0.002(4) -0.005(4) 0.001(4) C10 0.032(4) 0.028(4) 0.061(4) -0.003(3) -0.001(3) -0.003(3) C11 0.033(4) 0.026(4) 0.062(4) -0.013(3) 0.002(3) 0.000(3) C12 0.057(5) 0.053(5) 0.062(5) -0.023(4) 0.009(4) -0.003(4) O4 0.32(4) 0.16(3) 0.14(2) -0.032(19) -0.02(2) 0.02(3) O3 0.49(7) 0.16(3) 0.34(5) -0.14(3) -0.01(5) -0.06(4) O2 0.69(7) 0.45(6) 0.20(3) -0.19(4) -0.16(4) 0.44(5) O1 0.35(5) 0.37(5) 0.35(5) -0.26(4) 0.01(4) -0.11(4) O5 0.061(17) 0.47(7) 0.39(6) 0.00(7) -0.07(3) 0.09(3) O7 0.059(12) 0.44(5) 0.074(12) 0.05(2) 0.003(9) 0.059(19) _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 Cl1 O1 1.484(16) . ? Cl1 O3 1.488(16) . ? Cl1 O2 1.536(16) . ? Cl1 O4 1.546(16) . ? Ag1 N1 2.075(6) . ? Ag1 N1 2.075(6) 2_666 ? Ag2 N4 2.204(5) . ? Ag2 N2 2.231(6) . ? Ag2 N8 2.291(6) . ? Ag2 Ag3 3.2437(19) . ? Ag3 N5 2.172(5) 2_665 ? Ag3 N3 2.206(6) . ? Ag3 N9 2.278(5) 2_665 ? Ag4 N7 2.070(6) 1_465 ? Ag4 N6 2.076(5) . ? N1 C3 1.329(11) . ? N1 C2 1.371(10) . ? N2 C2 1.300(9) . ? N2 N3 1.401(9) . ? N3 C3 1.320(9) . ? N4 C6 1.333(9) . ? N4 N5 1.382(8) . ? N5 C7 1.321(8) . ? N5 Ag3 2.172(5) 2_665 ? N6 C7 1.353(9) . ? N6 C6 1.356(9) . ? N7 C11 1.341(9) . ? N7 C10 1.366(9) . ? N7 Ag4 2.070(6) 1_645 ? N8 C10 1.325(8) . ? N8 N9 1.381(8) . ? N9 C11 1.324(8) . ? N9 Ag3 2.278(5) 2_665 ? C1 C2 1.486(12) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C3 C4 1.454(13) . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C5 C6 1.464(10) . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? C7 C8 1.461(11) . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C9 C10 1.471(10) . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C11 C12 1.475(10) . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? O5 O7 1.71(5) 2_766 ? O7 O5 1.71(5) 2_766 ? 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 O1 Cl1 O3 112.1(15) . . ? O1 Cl1 O2 111.3(14) . . ? O3 Cl1 O2 112.6(13) . . ? O1 Cl1 O4 110.4(13) . . ? O3 Cl1 O4 109.3(13) . . ? O2 Cl1 O4 100.6(13) . . ? N1 Ag1 N1 180.000(2) . 2_666 ? N4 Ag2 N2 131.5(2) . . ? N4 Ag2 N8 119.2(2) . . ? N2 Ag2 N8 108.4(2) . . ? N4 Ag2 Ag3 127.29(16) . . ? N2 Ag2 Ag3 65.54(17) . . ? N8 Ag2 Ag3 64.74(15) . . ? N5 Ag3 N3 136.9(2) 2_665 . ? N5 Ag3 N9 116.9(2) 2_665 2_665 ? N3 Ag3 N9 106.0(2) . 2_665 ? N5 Ag3 Ag2 129.37(16) 2_665 . ? N3 Ag3 Ag2 65.07(17) . . ? N9 Ag3 Ag2 65.78(15) 2_665 . ? N7 Ag4 N6 174.2(2) 1_465 . ? C3 N1 C2 105.2(6) . . ? C3 N1 Ag1 127.1(6) . . ? C2 N1 Ag1 127.7(5) . . ? C2 N2 N3 107.2(6) . . ? C2 N2 Ag2 139.9(6) . . ? N3 N2 Ag2 112.7(4) . . ? C3 N3 N2 105.7(6) . . ? C3 N3 Ag3 136.5(6) . . ? N2 N3 Ag3 115.7(4) . . ? C6 N4 N5 106.8(5) . . ? C6 N4 Ag2 131.8(5) . . ? N5 N4 Ag2 121.3(4) . . ? C7 N5 N4 106.8(5) . . ? C7 N5 Ag3 131.9(5) . 2_665 ? N4 N5 Ag3 118.6(4) . 2_665 ? C7 N6 C6 104.9(5) . . ? C7 N6 Ag4 130.4(5) . . ? C6 N6 Ag4 124.1(5) . . ? C11 N7 C10 104.6(6) . . ? C11 N7 Ag4 127.9(5) . 1_645 ? C10 N7 Ag4 126.7(5) . 1_645 ? C10 N8 N9 107.3(5) . . ? C10 N8 Ag2 136.7(5) . . ? N9 N8 Ag2 115.7(4) . . ? C11 N9 N8 106.1(5) . . ? C11 N9 Ag3 131.9(5) . 2_665 ? N8 N9 Ag3 121.9(4) . 2_665 ? 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 . . ? N2 C2 N1 110.3(7) . . ? N2 C2 C1 124.4(7) . . ? N1 C2 C1 125.3(7) . . ? N3 C3 N1 111.6(8) . . ? N3 C3 C4 123.7(8) . . ? N1 C3 C4 124.7(8) . . ? C3 C4 H4A 109.5 . . ? C3 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? C3 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? C6 C5 H5A 109.5 . . ? C6 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? C6 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? N4 C6 N6 110.4(6) . . ? N4 C6 C5 124.0(7) . . ? N6 C6 C5 125.5(6) . . ? N5 C7 N6 111.1(6) . . ? N5 C7 C8 124.2(7) . . ? N6 C7 C8 124.6(6) . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C10 C9 H9A 109.5 . . ? C10 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C10 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? N8 C10 N7 110.2(6) . . ? N8 C10 C9 126.2(7) . . ? N7 C10 C9 123.5(6) . . ? N9 C11 N7 111.8(6) . . ? N9 C11 C12 123.8(7) . . ? N7 C11 C12 124.4(7) . . ? C11 C12 H12A 109.5 . . ? C11 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C11 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? _diffrn_measured_fraction_theta_max 0.976 _diffrn_reflns_theta_full 25.20 _diffrn_measured_fraction_theta_full 0.976 _refine_diff_density_max 1.018 _refine_diff_density_min -0.833 _refine_diff_density_rms 0.176 data_3 _database_code_depnum_ccdc_archive 'CCDC 789604' #TrackingRef '- ESI data of CIF for Silver-triazole.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C16 H27 Ag6 Cl N12 O2' _chemical_formula_weight 1102.17 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' 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' Cl Cl 0.1484 0.1585 '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' _symmetry_cell_setting Tetragonal _symmetry_space_group_name_H-M I4/mcm loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x, z' '-x, -y, z' 'y, -x, z' 'x, -y, -z+1/2' 'y, x, -z+1/2' '-x, y, -z+1/2' '-y, -x, -z+1/2' 'x+1/2, y+1/2, z+1/2' '-y+1/2, x+1/2, z+1/2' '-x+1/2, -y+1/2, z+1/2' 'y+1/2, -x+1/2, z+1/2' 'x+1/2, -y+1/2, -z+1' 'y+1/2, x+1/2, -z+1' '-x+1/2, y+1/2, -z+1' '-y+1/2, -x+1/2, -z+1' '-x, -y, -z' 'y, -x, -z' 'x, y, -z' '-y, x, -z' '-x, y, z-1/2' '-y, -x, z-1/2' 'x, -y, z-1/2' 'y, x, z-1/2' '-x+1/2, -y+1/2, -z+1/2' 'y+1/2, -x+1/2, -z+1/2' 'x+1/2, y+1/2, -z+1/2' '-y+1/2, x+1/2, -z+1/2' '-x+1/2, y+1/2, z' '-y+1/2, -x+1/2, z' 'x+1/2, -y+1/2, z' 'y+1/2, x+1/2, z' _cell_length_a 21.816(9) _cell_length_b 21.816(9) _cell_length_c 6.881(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 3275(3) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 2403 _cell_measurement_theta_min 2.64 _cell_measurement_theta_max 24.54 _exptl_crystal_description needle _exptl_crystal_colour light-yellow _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.235 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2088 _exptl_absorpt_coefficient_mu 3.632 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.60000 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 6722 _diffrn_reflns_av_R_equivalents 0.0557 _diffrn_reflns_av_sigmaI/netI 0.0245 _diffrn_reflns_limit_h_min -26 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_k_min -26 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_theta_min 2.64 _diffrn_reflns_theta_max 25.20 _reflns_number_total 837 _reflns_number_gt 693 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.0603P)^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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 837 _refine_ls_number_parameters 61 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0479 _refine_ls_R_factor_gt 0.0380 _refine_ls_wR_factor_ref 0.1026 _refine_ls_wR_factor_gt 0.0982 _refine_ls_goodness_of_fit_ref 1.140 _refine_ls_restrained_S_all 1.140 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.21242(3) 0.71242(3) 1.0000 0.0569(3) Uani 1 4 d S . . Ag2 Ag -0.01873(3) 0.88612(3) 1.0000 0.0596(3) Uani 1 2 d S . . C1 C 0.2340(3) 0.8687(4) 1.0000 0.050(2) Uani 1 2 d S . . H1A H 0.2344 0.9129 1.0000 0.060 Uiso 1 2 d SR . . H1B H 0.2531 0.8543 0.8831 0.060 Uiso 1 1 d R . . C2 C 0.1696(3) 0.8469(3) 1.0000 0.0375(16) Uani 1 2 d S . . C3 C 0.0905(3) 0.7899(3) 1.0000 0.0398(16) Uani 1 2 d S . . C4 C 0.0505(4) 0.7355(4) 1.0000 0.066(2) Uani 1 2 d S . . H4A H 0.0071 0.7459 1.0000 0.079 Uiso 1 2 d SR . . H4B H 0.0577 0.7101 1.1145 0.079 Uiso 1 1 d R . . Cl1 Cl 0.0000 0.0000 0.2500 0.0435(8) Uani 1 8 d S . . N1 N 0.1525(3) 0.7875(3) 1.0000 0.0402(14) Uani 1 2 d S . . N2 N 0.0713(3) 0.8467(3) 1.0000 0.0442(15) Uani 1 2 d S . . N3 N 0.1219(3) 0.8839(2) 1.0000 0.0388(13) Uani 1 2 d S . . O1 O 0.1291(6) 0.6291(6) 0.257(4) 0.138(8) Uani 0.50 2 d SP . . 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 0.0521(4) 0.0521(4) 0.0665(6) 0.000 0.000 0.0292(4) Ag2 0.0295(4) 0.0600(5) 0.0892(6) 0.000 0.000 0.0063(2) C1 0.044(5) 0.049(5) 0.059(5) 0.000 0.000 0.004(4) C2 0.033(4) 0.043(4) 0.037(4) 0.000 0.000 0.007(3) C3 0.034(4) 0.031(4) 0.054(5) 0.000 0.000 0.002(3) C4 0.052(5) 0.037(5) 0.108(7) 0.000 0.000 -0.003(4) Cl1 0.0469(12) 0.0469(12) 0.0367(18) 0.000 0.000 0.000 N1 0.038(3) 0.032(3) 0.051(4) 0.000 0.000 0.011(2) N2 0.032(3) 0.036(3) 0.065(4) 0.000 0.000 0.003(3) N3 0.033(3) 0.030(3) 0.053(3) 0.000 0.000 0.004(2) O1 0.082(6) 0.082(6) 0.25(2) -0.046(12) -0.046(12) 0.035(8) _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 2.096(5) . ? Ag1 N1 2.096(5) 14_456 ? Ag2 N3 2.132(5) 18_467 ? Ag2 N2 2.144(6) . ? C1 C2 1.483(11) . ? C1 H1A 0.9643 . ? C1 H1B 0.9589 . ? C2 N3 1.317(8) . ? C2 N1 1.348(9) . ? C3 N2 1.308(9) . ? C3 N1 1.352(9) . ? C3 C4 1.473(11) . ? C4 H4A 0.9741 . ? C4 H4B 0.9764 . ? N2 N3 1.371(8) . ? N3 Ag2 2.132(5) 2_665 ? 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 N1 167.2(3) . 14_456 ? N3 Ag2 N2 151.6(2) 18_467 . ? C2 C1 H1A 109.2 . . ? C2 C1 H1B 107.9 . . ? H1A C1 H1B 108.9 . . ? N3 C2 N1 111.7(6) . . ? N3 C2 C1 123.5(7) . . ? N1 C2 C1 124.8(6) . . ? N2 C3 N1 111.0(6) . . ? N2 C3 C4 124.9(7) . . ? N1 C3 C4 124.2(7) . . ? C3 C4 H4A 112.9 . . ? C3 C4 H4B 111.2 . . ? H4A C4 H4B 106.8 . . ? C2 N1 C3 103.9(5) . . ? C2 N1 Ag1 125.3(5) . . ? C3 N1 Ag1 130.8(5) . . ? C3 N2 N3 107.5(6) . . ? C3 N2 Ag2 132.4(5) . . ? N3 N2 Ag2 120.1(4) . . ? C2 N3 N2 105.9(6) . . ? C2 N3 Ag2 132.5(5) . 2_665 ? N2 N3 Ag2 121.6(4) . 2_665 ? _diffrn_measured_fraction_theta_max 0.991 _diffrn_reflns_theta_full 25.20 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 1.142 _refine_diff_density_min -0.375 _refine_diff_density_rms 0.137