#------------------------------------------------------------------------------ #$Date: 2025-08-20 20:19:29 +0100 (Wed, 20 Aug 2025) $ #$Revision: 301836 $ #$URL: svn://www.crystallography.net/cod/cif/4/30/81/4308144.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4308144 loop_ _publ_author_name 'Silvia Del Piero' 'Rosalisa Fedele' 'Andrea Melchior' 'Roberto Portanova' 'Marilena Tolazzi' 'Ennio Zangrando' _publ_section_title ; Solvation Effects on the Stability of Silver(I) Complexes with Pyridine-Containing Ligands Studied by Thermodynamic and DFT Methods ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 4683 _journal_page_last 4691 _journal_paper_doi 10.1021/ic070124d _journal_volume 46 _journal_year 2007 _chemical_formula_moiety 'C24 H26 Ag2 N6 2+, 2(Cl O4 1-)' _chemical_formula_sum 'C24 H26 Ag2 Cl2 N6 O8' _chemical_formula_weight 813.15 _chemical_name_systematic ; ? bis[bis(2-pyridylmethyl)amine-N,N')-silver(I)] diperchlorate ; _space_group_IT_number 15 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 90.00 _cell_angle_beta 114.666(10) _cell_angle_gamma 90.00 _cell_formula_units_Z 8 _cell_length_a 23.768(5) _cell_length_b 13.363(3) _cell_length_c 20.343(4) _cell_measurement_temperature 293(2) _cell_volume 5872(2) _computing_cell_refinement 'Denzo (Otwinowski & Minor 1997)' _computing_data_collection 'Nonius Xpress' _computing_data_reduction 'Denzo and Scalepack (Otwinowski & Minor 1997)' _computing_molecular_graphics 'Ortep3/windows (Farrugia,1997)' _computing_publication_material 'Wingx 1.70.00 (Farrugia, 1999)' _computing_structure_refinement 'SHELX97 (Sheldrick, 1998)' _computing_structure_solution 'SHELX97 (Sheldrick, 1998)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.987 _diffrn_measured_fraction_theta_max 0.987 _diffrn_measurement_device_type 'image plate dip1030' _diffrn_measurement_method 'laser scanner' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type Mok\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0460 _diffrn_reflns_av_sigmaI/netI 0.0440 _diffrn_reflns_limit_h_max 29 _diffrn_reflns_limit_h_min -29 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_number 83587 _diffrn_reflns_theta_full 26.02 _diffrn_reflns_theta_max 26.02 _diffrn_reflns_theta_min 1.79 _exptl_absorpt_coefficient_mu 1.573 _exptl_absorpt_correction_T_max 0.6997 _exptl_absorpt_correction_T_min 0.5028 _exptl_absorpt_correction_type refdelf _exptl_absorpt_process_details ; Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56 Cubic fit to sin(theta)/lambda - 24 parameters ; _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.840 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 3232 _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.35 _exptl_crystal_size_min 0.30 _refine_diff_density_max 1.278 _refine_diff_density_min -0.540 _refine_diff_density_rms 0.107 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.984 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 380 _refine_ls_number_reflns 5711 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.985 _refine_ls_R_factor_all 0.0968 _refine_ls_R_factor_gt 0.0603 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1470P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1971 _refine_ls_wR_factor_ref 0.2199 _reflns_number_gt 3057 _reflns_number_total 5711 _reflns_threshold_expression >2sigma(I) _cod_data_source_file ic070124d-file003.cif _cod_data_source_block melc2c _cod_original_sg_symbol_H-M 'C 2/c' _cod_database_code 4308144 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' 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 0.48714(7) 0.64281(8) 0.46606(10) 0.0984(5) Uani 1 1 d . . . Ag2 Ag 0.49444(6) 0.85150(11) 0.52183(5) 0.1001(4) Uani 1 1 d . . . N1 N 0.5851(3) 0.6338(5) 0.4801(4) 0.0873(17) Uani 1 1 d . . . N2 N 0.4869(3) 0.7178(7) 0.3569(3) 0.101(2) Uani 1 1 d . . . H2 H 0.4525 0.6959 0.3187 0.121 Uiso 1 1 calc R . . N3 N 0.4195(3) 0.8682(5) 0.4159(4) 0.0903(18) Uani 1 1 d . . . N4 N 0.5904(3) 0.8436(5) 0.6066(3) 0.0889(17) Uani 1 1 d . . . N5 N 0.4865(3) 0.7793(7) 0.6276(3) 0.106(2) Uani 1 1 d . . . H5 H 0.4545 0.8101 0.6330 0.127 Uiso 1 1 calc R . . N6 N 0.4077(3) 0.6414(5) 0.4926(4) 0.0888(17) Uani 1 1 d . . . C1 C 0.6317(5) 0.6165(7) 0.5427(6) 0.111(3) Uani 1 1 d . . . H1 H 0.6237 0.6024 0.5828 0.133 Uiso 1 1 calc R . . C2 C 0.6930(5) 0.6190(7) 0.5507(6) 0.115(3) Uani 1 1 d . . . H2A H 0.7254 0.6040 0.5949 0.138 Uiso 1 1 calc R . . C3 C 0.7042(4) 0.6433(8) 0.4931(6) 0.119(3) Uani 1 1 d . . . H3 H 0.7446 0.6464 0.4972 0.143 Uiso 1 1 calc R . . C4 C 0.6544(4) 0.6638(8) 0.4271(6) 0.115(3) Uani 1 1 d . . . H4 H 0.6611 0.6809 0.3867 0.138 Uiso 1 1 calc R . . C5 C 0.5958(4) 0.6584(7) 0.4232(5) 0.094(2) Uani 1 1 d . . . C6 C 0.3641(5) 0.8867(7) 0.4139(5) 0.112(3) Uani 1 1 d . . . H6 H 0.3609 0.8921 0.4578 0.134 Uiso 1 1 calc R . . C7 C 0.3119(5) 0.8984(8) 0.3531(7) 0.127(3) Uani 1 1 d . . . H7 H 0.2738 0.9082 0.3548 0.152 Uiso 1 1 calc R . . C8 C 0.3171(7) 0.8954(9) 0.2894(8) 0.151(5) Uani 1 1 d . . . H8 H 0.2830 0.9084 0.2462 0.181 Uiso 1 1 calc R . . C9 C 0.3743(7) 0.8724(8) 0.2894(5) 0.129(4) Uani 1 1 d . . . H9 H 0.3785 0.8673 0.2461 0.155 Uiso 1 1 calc R . . C10 C 0.4233(4) 0.8578(6) 0.3529(4) 0.094(2) Uani 1 1 d . . . C11 C 0.4857(4) 0.8252(7) 0.3557(5) 0.103(3) Uani 1 1 d . . . H11A H 0.4907 0.8499 0.3137 0.124 Uiso 1 1 calc R . . H11B H 0.5191 0.8516 0.3988 0.124 Uiso 1 1 calc R . . C12 C 0.5409(4) 0.6713(9) 0.3514(5) 0.118(3) Uani 1 1 d . . . H12A H 0.5533 0.7122 0.3203 0.142 Uiso 1 1 calc R . . H12B H 0.5289 0.6063 0.3287 0.142 Uiso 1 1 calc R . . C13 C 0.6405(5) 0.8573(7) 0.5922(6) 0.109(3) Uani 1 1 d . . . H13 H 0.6345 0.8744 0.5454 0.130 Uiso 1 1 calc R . . C14 C 0.6989(5) 0.8472(8) 0.6434(6) 0.118(3) Uani 1 1 d . . . H14 H 0.7326 0.8584 0.6322 0.142 Uiso 1 1 calc R . . C15 C 0.7078(4) 0.8201(9) 0.7119(7) 0.134(4) Uani 1 1 d . . . H15 H 0.7477 0.8131 0.7479 0.161 Uiso 1 1 calc R . . C16 C 0.6568(4) 0.8031(9) 0.7277(5) 0.121(3) Uani 1 1 d . . . H16 H 0.6620 0.7840 0.7739 0.145 Uiso 1 1 calc R . . C17 C 0.5983(4) 0.8158(7) 0.6724(4) 0.092(2) Uani 1 1 d . . . C18 C 0.3517(5) 0.6365(7) 0.4373(5) 0.104(3) Uani 1 1 d . . . H18 H 0.3493 0.6336 0.3905 0.125 Uiso 1 1 calc R . . C19 C 0.2980(5) 0.6356(7) 0.4464(7) 0.118(3) Uani 1 1 d . . . H19 H 0.2600 0.6299 0.4067 0.141 Uiso 1 1 calc R . . C20 C 0.3005(5) 0.6429(8) 0.5133(7) 0.125(3) Uani 1 1 d . . . H20 H 0.2643 0.6437 0.5203 0.150 Uiso 1 1 calc R . . C21 C 0.3591(5) 0.6492(7) 0.5735(6) 0.114(3) Uani 1 1 d . . . H21 H 0.3625 0.6528 0.6207 0.137 Uiso 1 1 calc R . . C22 C 0.4106(4) 0.6500(6) 0.5588(5) 0.089(2) Uani 1 1 d . . . C23 C 0.4725(4) 0.6690(8) 0.6188(5) 0.109(3) Uani 1 1 d . . . H23A H 0.5041 0.6349 0.6086 0.131 Uiso 1 1 calc R . . H23B H 0.4734 0.6421 0.6635 0.131 Uiso 1 1 calc R . . C24 C 0.5412(4) 0.8052(10) 0.6873(5) 0.123(3) Uani 1 1 d . . . H24A H 0.5495 0.7547 0.7245 0.148 Uiso 1 1 calc R . . H24B H 0.5345 0.8681 0.7067 0.148 Uiso 1 1 calc R . . Cl1 Cl 0.37810(12) 0.9906(2) 0.61057(14) 0.1161(8) Uani 1 1 d . . . O1 O 0.4137(7) 1.0005(9) 0.5672(5) 0.225(6) Uani 1 1 d . . . O2 O 0.3524(7) 1.0777(13) 0.6131(9) 0.310(10) Uani 1 1 d . . . O3 O 0.3581(6) 0.8952(9) 0.6046(10) 0.251(7) Uani 1 1 d . . . O4 O 0.4285(5) 0.9868(10) 0.6792(6) 0.216(5) Uani 1 1 d . . . Cl2 Cl 0.37556(12) 0.51123(19) 0.26677(13) 0.1104(7) Uani 1 1 d . . . O5 O 0.4173(4) 0.5030(7) 0.3405(5) 0.169(3) Uani 1 1 d . . . O6 O 0.3299(7) 0.4595(16) 0.2512(16) 0.51(2) Uani 1 1 d . . . O7 O 0.4145(10) 0.4801(13) 0.2350(8) 0.319(11) Uani 1 1 d . . . O8 O 0.3623(4) 0.6160(6) 0.2505(4) 0.144(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 0.0997(8) 0.0959(6) 0.1251(10) -0.0102(5) 0.0722(7) -0.0088(5) Ag2 0.1050(7) 0.0934(7) 0.0734(5) -0.0009(4) 0.0089(4) 0.0052(5) N1 0.075(4) 0.091(4) 0.100(4) -0.004(3) 0.042(4) 0.003(3) N2 0.075(4) 0.146(7) 0.084(4) -0.004(4) 0.035(3) -0.009(4) N3 0.089(5) 0.083(4) 0.087(4) 0.003(3) 0.025(3) 0.000(3) N4 0.078(4) 0.092(5) 0.086(4) -0.003(3) 0.025(3) 0.000(3) N5 0.075(4) 0.154(7) 0.083(4) 0.008(4) 0.028(3) 0.022(4) N6 0.083(4) 0.084(4) 0.110(5) 0.000(3) 0.051(4) -0.004(3) C1 0.121(8) 0.097(6) 0.113(7) 0.006(5) 0.046(6) 0.026(5) C2 0.107(7) 0.101(7) 0.117(7) -0.002(5) 0.028(6) 0.021(5) C3 0.073(5) 0.147(9) 0.135(8) 0.004(6) 0.039(5) 0.016(5) C4 0.089(6) 0.148(9) 0.117(7) -0.001(6) 0.052(5) -0.003(5) C5 0.079(5) 0.113(6) 0.094(5) -0.014(4) 0.040(4) -0.001(4) C6 0.109(7) 0.105(6) 0.102(6) -0.006(5) 0.025(5) 0.016(5) C7 0.114(8) 0.116(8) 0.125(8) -0.006(6) 0.025(7) 0.022(6) C8 0.132(10) 0.129(9) 0.144(11) 0.011(8) 0.009(8) 0.028(7) C9 0.163(11) 0.135(9) 0.068(5) 0.003(5) 0.027(6) 0.008(7) C10 0.103(6) 0.084(5) 0.078(5) 0.012(4) 0.021(4) -0.001(4) C11 0.105(7) 0.101(6) 0.099(6) 0.000(5) 0.038(5) -0.025(5) C12 0.093(6) 0.168(10) 0.098(6) -0.014(6) 0.046(5) -0.006(6) C13 0.104(7) 0.111(7) 0.112(6) -0.010(5) 0.046(6) -0.030(5) C14 0.091(6) 0.135(8) 0.132(8) -0.004(6) 0.050(6) -0.020(5) C15 0.068(5) 0.141(9) 0.162(10) 0.003(8) 0.015(6) 0.002(5) C16 0.087(6) 0.158(9) 0.098(6) 0.017(6) 0.018(5) 0.001(6) C17 0.073(4) 0.109(6) 0.081(5) 0.005(4) 0.020(4) 0.013(4) C18 0.106(7) 0.098(6) 0.109(6) -0.016(5) 0.047(5) -0.017(5) C19 0.099(7) 0.106(7) 0.148(9) -0.009(6) 0.051(6) -0.021(5) C20 0.093(6) 0.144(9) 0.159(10) -0.013(7) 0.074(7) -0.025(6) C21 0.116(8) 0.127(8) 0.128(7) 0.011(6) 0.079(7) 0.004(6) C22 0.081(5) 0.089(5) 0.105(6) 0.012(4) 0.045(4) 0.005(4) C23 0.100(6) 0.131(8) 0.102(6) 0.029(5) 0.049(5) 0.038(5) C24 0.099(6) 0.173(10) 0.090(5) -0.007(6) 0.032(5) 0.001(6) Cl1 0.1059(16) 0.1015(18) 0.1261(17) -0.0090(13) 0.0340(14) -0.0018(13) O1 0.305(16) 0.217(12) 0.165(7) -0.053(7) 0.112(10) -0.093(10) O2 0.251(15) 0.300(18) 0.299(16) 0.050(14) 0.036(13) 0.176(15) O3 0.189(11) 0.180(10) 0.43(2) -0.050(11) 0.169(13) -0.073(8) O4 0.158(8) 0.281(14) 0.167(7) 0.036(9) 0.027(7) 0.010(8) Cl2 0.1094(16) 0.1016(17) 0.1165(16) -0.0078(12) 0.0435(13) -0.0141(12) O5 0.148(7) 0.167(8) 0.160(7) 0.009(5) 0.033(6) 0.031(5) O6 0.166(12) 0.36(2) 0.76(5) 0.18(3) -0.05(2) -0.164(15) O7 0.47(3) 0.297(18) 0.230(12) 0.019(12) 0.188(17) 0.173(18) O8 0.122(6) 0.130(6) 0.149(6) 0.012(5) 0.026(5) 0.019(4) 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' Cl Cl 0.1484 0.1585 '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' 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 N6 Ag1 N1 159.9(3) . . ? N6 Ag1 N2 124.1(3) . . ? N1 Ag1 N2 75.1(2) . . ? N6 Ag1 Ag2 80.35(17) . . ? N1 Ag1 Ag2 96.30(17) . . ? N2 Ag1 Ag2 86.6(2) . . ? N3 Ag2 N4 159.2(3) . . ? N3 Ag2 N5 125.9(3) . . ? N4 Ag2 N5 74.2(2) . . ? N3 Ag2 Ag1 79.89(18) . . ? N4 Ag2 Ag1 97.41(18) . . ? N5 Ag2 Ag1 87.3(2) . . ? C1 N1 C5 119.9(8) . . ? C1 N1 Ag1 123.2(6) . . ? C5 N1 Ag1 116.5(5) . . ? C11 N2 C12 115.7(8) . . ? C11 N2 Ag1 114.7(6) . . ? C12 N2 Ag1 103.0(5) . . ? C6 N3 C10 117.1(8) . . ? C6 N3 Ag2 116.5(6) . . ? C10 N3 Ag2 126.3(6) . . ? C17 N4 C13 119.4(7) . . ? C17 N4 Ag2 117.8(5) . . ? C13 N4 Ag2 122.6(6) . . ? C24 N5 C23 115.1(8) . . ? C24 N5 Ag2 106.3(6) . . ? C23 N5 Ag2 112.2(5) . . ? C22 N6 C18 118.1(8) . . ? C22 N6 Ag1 124.8(6) . . ? C18 N6 Ag1 117.0(6) . . ? N1 C1 C2 121.7(10) . . ? C3 C2 C1 118.7(10) . . ? C2 C3 C4 119.2(10) . . ? C5 C4 C3 118.7(9) . . ? N1 C5 C4 121.7(8) . . ? N1 C5 C12 118.1(7) . . ? C4 C5 C12 120.0(8) . . ? N3 C6 C7 125.0(11) . . ? C6 C7 C8 117.4(13) . . ? C7 C8 C9 119.1(11) . . ? C10 C9 C8 119.0(11) . . ? N3 C10 C9 122.1(10) . . ? N3 C10 C11 116.8(7) . . ? C9 C10 C11 121.1(9) . . ? N2 C11 C10 107.4(7) . . ? N2 C12 C5 113.8(7) . . ? C14 C13 N4 122.3(9) . . ? C13 C14 C15 118.9(10) . . ? C14 C15 C16 119.9(9) . . ? C17 C16 C15 117.8(9) . . ? N4 C17 C16 121.7(8) . . ? N4 C17 C24 117.9(7) . . ? C16 C17 C24 120.3(8) . . ? N6 C18 C19 122.9(9) . . ? C20 C19 C18 119.3(11) . . ? C19 C20 C21 119.5(10) . . ? C22 C21 C20 117.0(9) . . ? N6 C22 C21 123.1(9) . . ? N6 C22 C23 117.5(7) . . ? C21 C22 C23 119.2(8) . . ? C22 C23 N5 111.0(7) . . ? N5 C24 C17 115.7(7) . . ? O2 Cl1 O3 133.1(12) . . ? O2 Cl1 O4 101.9(9) . . ? O3 Cl1 O4 100.2(10) . . ? O2 Cl1 O1 109.6(11) . . ? O3 Cl1 O1 107.6(8) . . ? O4 Cl1 O1 97.8(7) . . ? O6 Cl2 O7 113.8(18) . . ? O6 Cl2 O5 112.8(14) . . ? O7 Cl2 O5 99.3(8) . . ? O6 Cl2 O8 114.0(11) . . ? O7 Cl2 O8 107.9(9) . . ? O5 Cl2 O8 107.9(5) . . ? 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 N6 2.169(6) . ? Ag1 N1 2.227(6) . ? Ag1 N2 2.435(7) . ? Ag1 Ag2 2.9883(17) . ? Ag2 N3 2.159(7) . ? Ag2 N4 2.214(6) . ? Ag2 N5 2.436(7) . ? N1 C1 1.313(11) . ? N1 C5 1.326(10) . ? N2 C11 1.435(11) . ? N2 C12 1.471(11) . ? N3 C6 1.324(13) . ? N3 C10 1.329(11) . ? N4 C17 1.325(9) . ? N4 C13 1.352(12) . ? N5 C24 1.404(10) . ? N5 C23 1.505(12) . ? N6 C22 1.325(10) . ? N6 C18 1.339(12) . ? C1 C2 1.396(15) . ? C2 C3 1.345(14) . ? C3 C4 1.397(14) . ? C4 C5 1.363(13) . ? C5 C12 1.509(12) . ? C6 C7 1.346(14) . ? C7 C8 1.352(18) . ? C8 C9 1.394(19) . ? C9 C10 1.345(13) . ? C10 C11 1.525(13) . ? C13 C14 1.351(15) . ? C14 C15 1.369(14) . ? C15 C16 1.396(14) . ? C16 C17 1.388(11) . ? C17 C24 1.514(12) . ? C18 C19 1.366(14) . ? C19 C20 1.340(14) . ? C20 C21 1.422(16) . ? C21 C22 1.376(12) . ? C22 C23 1.489(12) . ? Cl1 O2 1.326(13) . ? Cl1 O3 1.348(11) . ? Cl1 O4 1.410(10) . ? Cl1 O1 1.461(12) . ? Cl2 O6 1.212(11) . ? Cl2 O7 1.395(16) . ? Cl2 O5 1.416(8) . ? Cl2 O8 1.444(8) . ? 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 N6 Ag1 Ag2 N3 -76.8(3) . . . . ? N1 Ag1 Ag2 N3 123.2(3) . . . . ? N2 Ag1 Ag2 N3 48.6(3) . . . . ? N6 Ag1 Ag2 N4 124.1(3) . . . . ? N1 Ag1 Ag2 N4 -35.9(3) . . . . ? N2 Ag1 Ag2 N4 -110.5(2) . . . . ? N6 Ag1 Ag2 N5 50.4(2) . . . . ? N1 Ag1 Ag2 N5 -109.6(2) . . . . ? N2 Ag1 Ag2 N5 175.8(2) . . . . ? N6 Ag1 N1 C1 0.1(12) . . . . ? N2 Ag1 N1 C1 163.9(7) . . . . ? Ag2 Ag1 N1 C1 79.2(7) . . . . ? N6 Ag1 N1 C5 -172.3(7) . . . . ? N2 Ag1 N1 C5 -8.4(6) . . . . ? Ag2 Ag1 N1 C5 -93.2(6) . . . . ? N6 Ag1 N2 C11 71.7(6) . . . . ? N1 Ag1 N2 C11 -101.6(6) . . . . ? Ag2 Ag1 N2 C11 -4.2(6) . . . . ? N6 Ag1 N2 C12 -161.6(5) . . . . ? N1 Ag1 N2 C12 25.0(6) . . . . ? Ag2 Ag1 N2 C12 122.5(6) . . . . ? N4 Ag2 N3 C6 -162.9(7) . . . . ? N5 Ag2 N3 C6 33.7(7) . . . . ? Ag1 Ag2 N3 C6 112.8(6) . . . . ? N4 Ag2 N3 C10 19.8(11) . . . . ? N5 Ag2 N3 C10 -143.5(6) . . . . ? Ag1 Ag2 N3 C10 -64.4(6) . . . . ? N3 Ag2 N4 C17 -172.5(7) . . . . ? N5 Ag2 N4 C17 -6.5(6) . . . . ? Ag1 Ag2 N4 C17 -91.5(6) . . . . ? N3 Ag2 N4 C13 1.6(11) . . . . ? N5 Ag2 N4 C13 167.6(7) . . . . ? Ag1 Ag2 N4 C13 82.6(6) . . . . ? N3 Ag2 N5 C24 -166.0(6) . . . . ? N4 Ag2 N5 C24 20.1(7) . . . . ? Ag1 Ag2 N5 C24 118.6(7) . . . . ? N3 Ag2 N5 C23 67.4(6) . . . . ? N4 Ag2 N5 C23 -106.5(6) . . . . ? Ag1 Ag2 N5 C23 -8.0(5) . . . . ? N1 Ag1 N6 C22 16.8(11) . . . . ? N2 Ag1 N6 C22 -144.2(6) . . . . ? Ag2 Ag1 N6 C22 -65.1(6) . . . . ? N1 Ag1 N6 C18 -166.7(7) . . . . ? N2 Ag1 N6 C18 32.3(7) . . . . ? Ag2 Ag1 N6 C18 111.4(6) . . . . ? C5 N1 C1 C2 -2.9(13) . . . . ? Ag1 N1 C1 C2 -175.0(7) . . . . ? N1 C1 C2 C3 2.5(15) . . . . ? C1 C2 C3 C4 -1.0(16) . . . . ? C2 C3 C4 C5 -0.1(16) . . . . ? C1 N1 C5 C4 1.8(13) . . . . ? Ag1 N1 C5 C4 174.4(7) . . . . ? C1 N1 C5 C12 176.3(8) . . . . ? Ag1 N1 C5 C12 -11.1(10) . . . . ? C3 C4 C5 N1 -0.3(15) . . . . ? C3 C4 C5 C12 -174.7(9) . . . . ? C10 N3 C6 C7 -1.9(14) . . . . ? Ag2 N3 C6 C7 -179.4(8) . . . . ? N3 C6 C7 C8 -3.1(17) . . . . ? C6 C7 C8 C9 5.2(19) . . . . ? C7 C8 C9 C10 -2.6(19) . . . . ? C6 N3 C10 C9 4.7(13) . . . . ? Ag2 N3 C10 C9 -178.1(7) . . . . ? C6 N3 C10 C11 -173.5(8) . . . . ? Ag2 N3 C10 C11 3.8(10) . . . . ? C8 C9 C10 N3 -2.5(16) . . . . ? C8 C9 C10 C11 175.5(10) . . . . ? C12 N2 C11 C10 173.4(6) . . . . ? Ag1 N2 C11 C10 -66.7(7) . . . . ? N3 C10 C11 N2 87.5(9) . . . . ? C9 C10 C11 N2 -90.7(10) . . . . ? C11 N2 C12 C5 87.1(10) . . . . ? Ag1 N2 C12 C5 -38.9(10) . . . . ? N1 C5 C12 N2 37.2(13) . . . . ? C4 C5 C12 N2 -148.2(9) . . . . ? C17 N4 C13 C14 -2.4(13) . . . . ? Ag2 N4 C13 C14 -176.4(7) . . . . ? N4 C13 C14 C15 1.3(16) . . . . ? C13 C14 C15 C16 0.3(18) . . . . ? C14 C15 C16 C17 -0.7(18) . . . . ? C13 N4 C17 C16 1.9(13) . . . . ? Ag2 N4 C17 C16 176.2(8) . . . . ? C13 N4 C17 C24 177.6(9) . . . . ? Ag2 N4 C17 C24 -8.2(11) . . . . ? C15 C16 C17 N4 -0.4(16) . . . . ? C15 C16 C17 C24 -175.9(10) . . . . ? C22 N6 C18 C19 -3.0(13) . . . . ? Ag1 N6 C18 C19 -179.7(7) . . . . ? N6 C18 C19 C20 2.1(15) . . . . ? C18 C19 C20 C21 -1.4(16) . . . . ? C19 C20 C21 C22 1.5(15) . . . . ? C18 N6 C22 C21 3.2(12) . . . . ? Ag1 N6 C22 C21 179.7(7) . . . . ? C18 N6 C22 C23 -172.0(7) . . . . ? Ag1 N6 C22 C23 4.4(10) . . . . ? C20 C21 C22 N6 -2.5(14) . . . . ? C20 C21 C22 C23 172.6(9) . . . . ? N6 C22 C23 N5 86.9(9) . . . . ? C21 C22 C23 N5 -88.5(10) . . . . ? C24 N5 C23 C22 174.1(7) . . . . ? Ag2 N5 C23 C22 -64.2(8) . . . . ? C23 N5 C24 C17 93.9(11) . . . . ? Ag2 N5 C24 C17 -30.9(11) . . . . ? N4 C17 C24 N5 28.9(14) . . . . ? C16 C17 C24 N5 -155.4(10) . . . . ? loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 PubChem 139129149