#------------------------------------------------------------------------------ #$Date: 2016-03-26 11:46:54 +0000 (Sat, 26 Mar 2016) $ #$Revision: 180235 $ #$URL: svn://www.crystallography.net/cod/cif/7/11/21/7112132.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_7112132 loop_ _publ_author_name 'Mousumi Garai' 'Kumar Biradha' _publ_section_title ; Coordination polymers of organic polymers synthesized via photopolymerization of single crystals: two-dimensional hydrogen bonding layers with amazing shock absorbing nature ; _journal_name_full Chem.Commun. _journal_page_first 3568 _journal_paper_doi 10.1039/C4CC00625A _journal_volume 50 _journal_year 2014 _chemical_formula_sum 'C20 H22 Ag Cl N4 O6' _chemical_formula_weight 557.74 _chemical_name_systematic ; ? ; _space_group_IT_number 5 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall 'C 2y' _symmetry_space_group_name_H-M 'C 1 2 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 110.762(3) _cell_angle_gamma 90.00 _cell_formula_units_Z 8 _cell_length_a 19.871(2) _cell_length_b 9.8406(10) _cell_length_c 23.807(2) _cell_measurement_reflns_used 8560 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 26.35 _cell_measurement_theta_min 0.91 _cell_volume 4353.0(7) _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.987 _diffrn_measured_fraction_theta_max 0.987 _diffrn_measurement_device_type 'Bruker CCD APEX-2' _diffrn_measurement_method hemisphere _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 0.0797 _diffrn_reflns_av_sigmaI/netI 0.1001 _diffrn_reflns_limit_h_max 24 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_number 28146 _diffrn_reflns_theta_full 26.35 _diffrn_reflns_theta_max 26.35 _diffrn_reflns_theta_min 0.91 _exptl_absorpt_coefficient_mu 1.094 _exptl_absorpt_correction_T_max 0.896 _exptl_absorpt_correction_T_min 0.843 _exptl_absorpt_correction_type empirical _exptl_absorpt_process_details sadabs _exptl_crystal_colour 'light yellow' _exptl_crystal_density_diffrn 1.702 _exptl_crystal_density_method 'not measured' _exptl_crystal_description 'rectangular block' _exptl_crystal_F_000 2256 _exptl_crystal_size_max 0.23 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.10 _refine_diff_density_max 1.495 _refine_diff_density_min -0.698 _refine_diff_density_rms 0.117 _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.00 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.069 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 558 _refine_ls_number_reflns 8560 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.069 _refine_ls_R_factor_all 0.1521 _refine_ls_R_factor_gt 0.0708 _refine_ls_shift/su_max 0.019 _refine_ls_shift/su_mean 0.001 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1648 _refine_ls_wR_factor_ref 0.2057 _reflns_number_gt 4649 _reflns_number_total 8560 _reflns_threshold_expression >2sigma(I) _cod_data_source_file c4cc00625a.cif _cod_data_source_block 3' _cod_original_cell_volume 4352.9(8) _cod_original_sg_symbol_H-M C2 _cod_database_code 7112132 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' 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 Ag1 Ag 0.87686(6) 0.45393(9) 0.86296(4) 0.0720(4) Uani 1 1 d . Ag2 Ag 0.88489(6) 0.91426(9) 1.37433(4) 0.0742(4) Uani 1 1 d . Cl2 Cl 1.0000 0.6991(9) 1.5000 0.119(2) Uani 1 2 d S Cl1 Cl 0.7217(2) 0.6620(4) 0.7409(2) 0.0910(13) Uani 1 1 d . Cl3 Cl 1.0000 0.2389(7) 1.0000 0.186(5) Uani 1 2 d S O21A O 1.2489(5) 0.8470(9) 1.5332(4) 0.069(3) Uani 1 1 d . N11A N 1.3963(6) 0.5764(11) 1.4359(4) 0.057(3) Uani 1 1 d . O11A O 1.4654(5) 0.5050(8) 1.6991(4) 0.069(3) Uani 1 1 d . C11A C 1.3923(6) 0.6551(10) 1.5301(4) 0.048(3) Uani 1 1 d . C12A C 1.3929(6) 0.5557(12) 1.4895(5) 0.048(3) Uani 1 1 d . H12A H 1.3907 0.4659 1.5010 0.058 Uiso 1 1 calc R C13A C 1.4027(8) 0.7073(15) 1.4191(5) 0.081(5) Uani 1 1 d . H13A H 1.4030 0.7257 1.3809 0.097 Uiso 1 1 calc R C14A C 1.4087(12) 0.8097(15) 1.4584(7) 0.126(8) Uani 1 1 d . H14A H 1.4170 0.8976 1.4480 0.151 Uiso 1 1 calc R C15A C 1.4026(11) 0.7861(13) 1.5137(6) 0.108(7) Uani 1 1 d . H15A H 1.4055 0.8580 1.5397 0.129 Uiso 1 1 calc R C16A C 1.3808(6) 0.6173(11) 1.5871(4) 0.039(3) Uani 1 1 d . H16A H 1.3943 0.5221 1.5970 0.047 Uiso 1 1 calc R C17A C 1.4148(6) 0.7080(11) 1.6446(4) 0.040(3) Uani 1 1 d . H17A H 1.4374 0.7912 1.6372 0.048 Uiso 1 1 calc R C18A C 1.4615(6) 0.6285(11) 1.6970(5) 0.042(3) Uani 1 1 d . N21A N 1.3475(5) 0.7832(11) 1.8043(4) 0.054(3) Uani 1 1 d . C21A C 1.3272(5) 0.6992(11) 1.7040(4) 0.037(2) Uani 1 1 d . C22A C 1.3434(6) 0.8032(11) 1.7460(5) 0.043(3) Uani 1 1 d . H22A H 1.3518 0.8899 1.7343 0.052 Uiso 1 1 calc R C23A C 1.3309(7) 0.6573(15) 1.8199(5) 0.063(3) Uani 1 1 d . H23A H 1.3330 0.6415 1.8591 0.075 Uiso 1 1 calc R C24A C 1.3112(6) 0.5543(14) 1.7787(5) 0.058(3) Uani 1 1 d . H24A H 1.2979 0.4704 1.7894 0.070 Uiso 1 1 calc R C25A C 1.3112(7) 0.5740(12) 1.7220(5) 0.055(3) Uani 1 1 d . H25A H 1.3001 0.5019 1.6950 0.066 Uiso 1 1 calc R C26A C 1.3372(6) 0.7308(10) 1.6460(4) 0.041(3) Uani 1 1 d . H26A H 1.3239 0.8260 1.6359 0.049 Uiso 1 1 calc R C27A C 1.3021(5) 0.6434(10) 1.5885(4) 0.037(3) Uani 1 1 d . H27A H 1.2796 0.5604 1.5963 0.044 Uiso 1 1 calc R C28A C 1.2542(6) 0.7194(11) 1.5332(5) 0.042(3) Uani 1 1 d . N31A N 0.7338(5) 0.6883(9) 0.9963(5) 0.047(3) Uani 1 1 d . H31A H 0.7361 0.6010 0.9970 0.057 Uiso 1 1 calc R N32A N 1.4990(5) 0.7063(10) 1.7454(4) 0.050(3) Uani 1 1 d . H32A H 1.4985 0.7932 1.7414 0.060 Uiso 1 1 calc R C31A C 0.6871(7) 0.7568(13) 0.9437(5) 0.058(3) Uani 1 1 d . H31B H 0.6614 0.8278 0.9561 0.069 Uiso 1 1 calc . H31C H 0.7163 0.8001 0.9237 0.069 Uiso 1 1 calc . C32A C 0.6357(7) 0.6695(14) 0.9016(5) 0.064(4) Uani 1 1 d . H32B H 0.6048 0.6305 0.9211 0.076 Uiso 1 1 calc . H32C H 0.6615 0.5952 0.8915 0.076 Uiso 1 1 calc . C33A C 0.5897(7) 0.7350(12) 0.8453(5) 0.062(4) Uani 1 1 d . H33A H 0.5634 0.8082 0.8555 0.074 Uiso 1 1 calc . H33B H 0.6207 0.7755 0.8263 0.074 Uiso 1 1 calc . C34A C 1.5389(6) 0.6490(13) 1.8023(5) 0.061(4) Uani 1 1 d . H34A H 1.5647 0.5706 1.7956 0.073 Uiso 1 1 calc . H34B H 1.5050 0.6161 1.8200 0.073 Uiso 1 1 calc . O11B O 0.7711(5) 0.8849(9) 1.0463(4) 0.076(3) Uani 1 1 d . N11B N 0.8743(6) 0.7636(12) 1.3084(4) 0.064(3) Uani 1 1 d . C11B C 0.8679(5) 0.7057(11) 1.2082(4) 0.038(3) Uani 1 1 d . C12B C 0.8703(6) 0.7954(11) 1.2547(5) 0.047(3) Uani 1 1 d . H12B H 0.8688 0.8877 1.2458 0.056 Uiso 1 1 calc R C13B C 0.8750(7) 0.6240(15) 1.3208(5) 0.063(4) Uani 1 1 d . H13B H 0.8755 0.5958 1.3583 0.076 Uiso 1 1 calc R C14B C 0.8748(7) 0.5290(12) 1.2792(6) 0.059(3) Uani 1 1 d . H14B H 0.8769 0.4373 1.2892 0.071 Uiso 1 1 calc R C15B C 0.8717(6) 0.5655(12) 1.2240(5) 0.054(3) Uani 1 1 d . H15B H 0.8721 0.4994 1.1962 0.065 Uiso 1 1 calc R C18B C 0.7735(7) 0.7601(15) 1.0440(5) 0.056(3) Uani 1 1 d . C17B C 0.8286(6) 0.6761(11) 1.0913(5) 0.037(3) Uani 1 1 d . H17B H 0.8086 0.5902 1.0992 0.044 Uiso 1 1 calc R C16B C 0.8682(6) 0.7601(11) 1.1512(5) 0.044(3) Uani 1 1 d . H16B H 0.8526 0.8552 1.1463 0.053 Uiso 1 1 calc R O21B O 1.0182(4) 0.5587(8) 1.1849(3) 0.061(2) Uani 1 1 d . N21B N 0.8939(5) 0.6210(9) 0.9253(4) 0.050(2) Uani 1 1 d . C21B C 0.9032(5) 0.6932(11) 1.0219(4) 0.040(3) Uani 1 1 d . C22B C 0.8995(5) 0.5969(13) 0.9801(4) 0.045(3) Uani 1 1 d . H22B H 0.9011 0.5064 0.9918 0.054 Uiso 1 1 calc R C23B C 0.8947(6) 0.7472(12) 0.9073(5) 0.050(3) Uani 1 1 d . H23B H 0.8901 0.7634 0.8676 0.060 Uiso 1 1 calc R C24B C 0.9025(7) 0.8585(13) 0.9463(5) 0.059(3) Uani 1 1 d . H24B H 0.9054 0.9477 0.9344 0.071 Uiso 1 1 calc R C25B C 0.9053(6) 0.8265(12) 1.0017(5) 0.054(3) Uani 1 1 d . H25B H 0.9089 0.8971 1.0285 0.064 Uiso 1 1 calc R C26B C 0.9009(6) 0.6562(9) 1.0819(4) 0.035(3) Uani 1 1 d . H26B H 0.9158 0.5611 1.0902 0.041 Uiso 1 1 calc R C27B C 0.9408(5) 0.7427(12) 1.1392(4) 0.039(3) Uani 1 1 d . H27B H 0.9557 0.8301 1.1277 0.046 Uiso 1 1 calc R C28B C 1.0018(5) 0.6787(12) 1.1869(4) 0.042(3) Uani 1 1 d . N31B N 1.2204(5) 0.6426(10) 1.4856(4) 0.056(3) Uani 1 1 d . H31D H 1.2251 0.5558 1.4888 0.067 Uiso 1 1 calc R N32B N 1.0386(5) 0.7586(10) 1.2323(4) 0.058(3) Uani 1 1 d . H32D H 1.0283 0.8437 1.2299 0.070 Uiso 1 1 calc R C31B C 1.1742(9) 0.7021(18) 1.4267(6) 0.087(6) Uani 1 1 d . H31E H 1.1447 0.7737 1.4339 0.104 Uiso 1 1 calc . H31F H 1.2049 0.7426 1.4074 0.104 Uiso 1 1 calc . C32B C 1.1296(10) 0.6055(16) 1.3883(7) 0.113(7) Uani 1 1 d . H32E H 1.1072 0.5522 1.4111 0.135 Uiso 1 1 calc . H32F H 1.1596 0.5443 1.3754 0.135 Uiso 1 1 calc . C33B C 1.0691(8) 0.6610(14) 1.3312(6) 0.073(4) Uani 1 1 d . H33C H 1.0344 0.5892 1.3142 0.087 Uiso 1 1 calc . H33D H 1.0443 0.7344 1.3430 0.087 Uiso 1 1 calc . C34B C 1.0952(6) 0.7101(14) 1.2857(5) 0.057(3) Uani 1 1 d . H34C H 1.1210 0.6373 1.2746 0.069 Uiso 1 1 calc . H34D H 1.1291 0.7834 1.3024 0.069 Uiso 1 1 calc . O101 O 0.7511(12) 0.720(3) 0.7998(8) 0.295(16) Uani 1 1 d . O102 O 0.7496(7) 0.5573(12) 0.7386(11) 0.307(19) Uani 1 1 d . O103 O 0.7330(6) 0.7754(12) 0.7045(7) 0.126(5) Uani 1 1 d . O104 O 0.6469(5) 0.6441(11) 0.7248(4) 0.085(3) Uani 1 1 d . O201 O 0.9929(12) 0.590(3) 1.5431(10) 0.223(9) Uiso 1 1 d . O202 O 0.9311(12) 0.696(2) 1.4730(10) 0.214(9) Uiso 1 1 d . O301 O 1.007(2) 0.137(3) 0.9778(17) 0.332(18) Uiso 1 1 d . O302 O 1.0038(12) 0.322(3) 0.9547(9) 0.221(8) 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 Ag1 0.1100(9) 0.0655(8) 0.0357(4) -0.0216(5) 0.0198(5) 0.0029(6) Ag2 0.1063(9) 0.0771(9) 0.0414(5) -0.0207(5) 0.0291(5) 0.0046(6) Cl2 0.104(6) 0.134(6) 0.107(5) 0.000 0.021(4) 0.000 Cl1 0.058(2) 0.062(3) 0.129(4) -0.007(2) 0.004(2) -0.003(2) Cl3 0.329(15) 0.041(3) 0.260(13) 0.000 0.193(12) 0.000 O21A 0.081(7) 0.053(5) 0.048(5) -0.003(4) -0.008(5) 0.018(5) N11A 0.081(8) 0.058(7) 0.039(5) -0.003(5) 0.030(5) -0.016(6) O11A 0.083(7) 0.040(5) 0.059(5) -0.003(4) -0.003(5) 0.009(4) C11A 0.080(8) 0.028(6) 0.030(6) 0.003(5) 0.012(6) 0.006(6) C12A 0.044(7) 0.047(7) 0.047(7) -0.012(6) 0.007(6) 0.009(6) C13A 0.135(13) 0.084(10) 0.023(6) -0.002(6) 0.027(7) -0.027(9) C14A 0.26(3) 0.046(9) 0.061(10) 0.003(7) 0.047(13) -0.037(12) C15A 0.26(2) 0.038(7) 0.053(8) -0.024(6) 0.084(11) -0.044(10) C16A 0.059(8) 0.029(5) 0.027(5) -0.003(4) 0.013(5) 0.004(5) C17A 0.061(8) 0.028(6) 0.031(6) -0.003(5) 0.015(6) 0.001(5) C18A 0.050(7) 0.036(7) 0.035(6) -0.005(5) 0.008(6) -0.002(6) N21A 0.067(7) 0.057(7) 0.038(6) -0.014(5) 0.019(5) -0.006(6) C21A 0.025(6) 0.042(6) 0.033(6) -0.008(5) -0.003(4) -0.001(5) C22A 0.055(8) 0.030(6) 0.043(7) 0.000(5) 0.017(6) 0.013(5) C23A 0.063(9) 0.084(10) 0.037(7) 0.007(7) 0.011(6) 0.005(8) C24A 0.057(8) 0.069(8) 0.053(7) 0.001(7) 0.024(6) -0.027(7) C25A 0.070(9) 0.046(7) 0.046(7) -0.009(6) 0.018(6) -0.016(6) C26A 0.049(7) 0.030(6) 0.036(6) -0.013(4) 0.006(5) -0.005(5) C27A 0.035(6) 0.035(6) 0.033(6) -0.003(4) 0.003(5) 0.000(5) C28A 0.033(6) 0.037(6) 0.035(6) -0.006(5) -0.014(5) 0.007(5) N31A 0.048(7) 0.034(5) 0.047(6) -0.001(5) 0.001(5) 0.002(5) N32A 0.070(6) 0.042(6) 0.021(5) -0.005(4) -0.005(4) -0.003(5) C31A 0.059(8) 0.055(8) 0.034(6) 0.003(6) -0.015(6) -0.002(6) C32A 0.058(9) 0.073(9) 0.034(7) -0.006(6) -0.015(6) 0.014(7) C33A 0.091(10) 0.036(7) 0.027(6) -0.016(5) -0.017(6) 0.001(7) C34A 0.052(8) 0.061(8) 0.036(7) 0.017(6) -0.024(6) 0.001(7) O11B 0.094(7) 0.038(5) 0.063(6) -0.016(4) -0.015(5) 0.006(5) N11B 0.071(8) 0.071(8) 0.043(6) -0.020(6) 0.012(6) 0.020(6) C11B 0.040(6) 0.042(6) 0.027(5) -0.002(5) 0.007(5) 0.005(5) C12B 0.068(9) 0.027(6) 0.050(7) -0.002(5) 0.028(6) 0.001(5) C13B 0.078(10) 0.075(10) 0.037(7) 0.020(7) 0.020(7) 0.004(7) C14B 0.072(9) 0.033(6) 0.071(9) 0.002(6) 0.025(7) -0.007(6) C15B 0.073(9) 0.049(7) 0.036(6) -0.015(5) 0.014(6) -0.002(6) C18B 0.056(8) 0.075(10) 0.027(6) -0.002(6) 0.002(6) 0.007(7) C17B 0.034(6) 0.039(6) 0.031(6) 0.002(5) 0.003(5) -0.012(5) C16B 0.050(8) 0.033(6) 0.043(6) 0.004(5) 0.009(6) 0.013(6) O21B 0.058(6) 0.058(5) 0.048(5) -0.021(4) -0.005(4) 0.020(4) N21B 0.077(7) 0.036(5) 0.033(5) -0.003(4) 0.013(5) 0.001(5) C21B 0.033(6) 0.053(7) 0.026(5) -0.004(5) 0.003(5) 0.011(5) C22B 0.041(7) 0.066(8) 0.014(5) -0.020(5) -0.007(5) 0.003(6) C23B 0.055(8) 0.062(8) 0.029(5) -0.010(5) 0.010(5) -0.021(6) C24B 0.083(10) 0.055(8) 0.029(6) -0.003(5) 0.007(6) -0.010(7) C25B 0.062(8) 0.054(8) 0.030(6) -0.003(5) -0.003(6) 0.006(6) C26B 0.076(8) 0.014(4) 0.011(4) -0.005(3) 0.011(5) 0.010(5) C27B 0.042(7) 0.051(7) 0.017(5) -0.009(4) 0.004(5) -0.004(5) C28B 0.035(6) 0.059(8) 0.028(6) -0.001(5) 0.006(5) 0.006(6) N31B 0.064(7) 0.039(6) 0.047(6) -0.006(5) -0.003(5) -0.002(5) N32B 0.078(7) 0.050(6) 0.030(5) -0.007(4) -0.001(5) 0.006(5) C31B 0.087(11) 0.094(13) 0.045(9) 0.004(9) -0.021(8) 0.033(10) C32B 0.144(16) 0.057(9) 0.072(10) 0.020(8) -0.043(11) -0.019(10) C33B 0.073(10) 0.058(9) 0.061(10) 0.022(7) -0.008(8) -0.006(8) C34B 0.037(7) 0.075(9) 0.042(7) -0.005(6) -0.008(6) 0.006(6) O101 0.31(3) 0.32(3) 0.129(14) 0.034(17) -0.083(16) -0.18(2) O102 0.103(11) 0.033(7) 0.70(5) 0.106(15) 0.035(19) 0.026(7) O103 0.095(9) 0.086(8) 0.219(15) 0.013(9) 0.083(9) -0.028(7) O104 0.060(6) 0.105(8) 0.083(7) -0.013(6) 0.018(5) -0.034(6) 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 N21A Ag1 N21B 172.3(4) 3_444 . N11B Ag2 N11A 175.7(4) . 3_455 O202 Cl2 O202 177(2) . 2_758 O202 Cl2 O201 88.9(13) . 2_758 O202 Cl2 O201 89.0(13) 2_758 2_758 O202 Cl2 O201 89.0(13) . . O202 Cl2 O201 88.9(13) 2_758 . O201 Cl2 O201 90.4(17) 2_758 . O102 Cl1 O101 111.0(16) . . O102 Cl1 O104 110.3(9) . . O101 Cl1 O104 110.0(12) . . O102 Cl1 O103 117.3(12) . . O101 Cl1 O103 100.2(11) . . O104 Cl1 O103 107.5(7) . . O301 Cl3 O301 61(3) . 2_757 O301 Cl3 O302 96.0(17) . . O301 Cl3 O302 156(2) 2_757 . O301 Cl3 O302 156(2) . 2_757 O301 Cl3 O302 96.0(17) 2_757 2_757 O302 Cl3 O302 107(2) . 2_757 C12A N11A C13A 118.0(11) . . C12A N11A Ag2 121.5(8) . 3_545 C13A N11A Ag2 120.3(8) . 3_545 C12A C11A C15A 115.1(10) . . C12A C11A C16A 120.0(10) . . C15A C11A C16A 124.9(10) . . N11A C12A C11A 125.8(11) . . C14A C13A N11A 119.7(11) . . C13A C14A C15A 121.1(13) . . C14A C15A C11A 119.8(12) . . C11A C16A C17A 119.4(9) . . C11A C16A C27A 116.3(9) . . C17A C16A C27A 90.8(8) . . C18A C17A C16A 112.3(9) . . C18A C17A C26A 112.6(9) . . C16A C17A C26A 88.7(8) . . O11A C18A N32A 121.1(10) . . O11A C18A C17A 124.9(10) . . N32A C18A C17A 113.9(9) . . C23A N21A C22A 118.1(10) . . C23A N21A Ag1 124.9(8) . 3_556 C22A N21A Ag1 117.0(8) . 3_556 C25A C21A C22A 117.1(10) . . C25A C21A C26A 126.5(9) . . C22A C21A C26A 116.1(9) . . N21A C22A C21A 122.5(10) . . N21A C23A C24A 120.7(11) . . C25A C24A C23A 120.3(12) . . C24A C25A C21A 121.1(11) . . C21A C26A C27A 122.1(9) . . C21A C26A C17A 116.3(8) . . C27A C26A C17A 92.3(7) . . C26A C27A C28A 116.0(9) . . C26A C27A C16A 88.2(7) . . C28A C27A C16A 112.2(9) . . O21A C28A N31B 123.4(10) . . O21A C28A C27A 121.1(10) . . N31B C28A C27A 115.6(10) . . C18B N31A C31A 119.9(10) . . C18A N32A C34A 122.4(9) . . C32A C31A N31A 114.1(10) . . C31A C32A C33A 115.5(11) . . C34A C33A C32A 116.4(11) 1_454 . N32A C34A C33A 117.5(11) . 1_656 C12B N11B C13B 116.0(11) . . C12B N11B Ag2 121.3(9) . . C13B N11B Ag2 122.6(9) . . C12B C11B C16B 119.5(10) . . C12B C11B C15B 114.6(9) . . C16B C11B C15B 125.7(10) . . N11B C12B C11B 127.0(11) . . C14B C13B N11B 121.4(11) . . C15B C14B C13B 121.1(11) . . C14B C15B C11B 119.8(10) . . O11B C18B N31A 123.1(11) . . O11B C18B C17B 122.9(11) . . N31A C18B C17B 113.5(11) . . C18B C17B C26B 115.3(9) . . C18B C17B C16B 112.4(10) . . C26B C17B C16B 90.3(7) . . C11B C16B C27B 115.7(9) . . C11B C16B C17B 118.5(9) . . C27B C16B C17B 88.6(8) . . C22B N21B C23B 119.7(10) . . C22B N21B Ag1 119.4(8) . . C23B N21B Ag1 120.8(7) . . C22B C21B C25B 113.7(10) . . C22B C21B C26B 121.4(10) . . C25B C21B C26B 124.9(9) . . N21B C22B C21B 125.1(12) . . N21B C23B C24B 122.1(10) . . C25B C24B C23B 115.0(12) . . C24B C25B C21B 124.2(11) . . C21B C26B C17B 117.0(8) . . C21B C26B C27B 121.7(9) . . C17B C26B C27B 90.8(7) . . C28B C27B C16B 117.5(8) . . C28B C27B C26B 117.6(9) . . C16B C27B C26B 90.2(8) . . O21B C28B N32B 121.5(10) . . O21B C28B C27B 122.5(10) . . N32B C28B C27B 116.1(10) . . C28A N31B C31B 122.2(11) . . C28B N32B C34B 123.5(10) . . C32B C31B N31B 112.5(14) . . C31B C32B C33B 116.5(13) . . C34B C33B C32B 113.6(14) . . C33B C34B N32B 113.3(11) . . Cl3 O301 O301 59.3(16) . 2_757 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Ag1 N21A 2.130(10) 3_444 Ag1 N21B 2.159(9) . Ag2 N11B 2.114(10) . Ag2 N11A 2.123(10) 3_455 Cl2 O202 1.29(2) . Cl2 O202 1.29(2) 2_758 Cl2 O201 1.53(2) 2_758 Cl2 O201 1.53(2) . Cl1 O102 1.181(14) . Cl1 O101 1.434(19) . Cl1 O104 1.408(9) . Cl1 O103 1.479(12) . Cl3 O301 1.17(3) . Cl3 O301 1.17(3) 2_757 Cl3 O302 1.37(2) . Cl3 O302 1.37(2) 2_757 O21A C28A 1.261(13) . N11A C12A 1.320(14) . N11A C13A 1.368(17) . N11A Ag2 2.123(10) 3_545 O11A C18A 1.218(13) . C11A C12A 1.377(14) . C11A C15A 1.383(16) . C11A C16A 1.502(13) . C13A C14A 1.35(2) . C14A C15A 1.383(19) . C16A C17A 1.572(14) . C16A C27A 1.595(15) . C17A C18A 1.486(15) . C17A C26A 1.569(15) . C18A N32A 1.364(13) . N21A C23A 1.368(17) . N21A C22A 1.375(13) . N21A Ag1 2.130(10) 3_556 C21A C25A 1.378(15) . C21A C22A 1.387(14) . C21A C26A 1.494(14) . C23A C24A 1.369(18) . C24A C25A 1.364(15) . C26A C27A 1.557(13) . C27A C28A 1.520(14) . C28A N31B 1.329(14) . N31A C18B 1.333(15) . N31A C31A 1.434(14) . N32A C34A 1.421(13) . C31A C32A 1.437(17) . C32A C33A 1.476(17) . C33A C34A 1.431(16) 1_454 C34A C33A 1.431(16) 1_656 O11B C18B 1.231(15) . N11B C12B 1.292(15) . N11B C13B 1.405(17) . C11B C12B 1.403(15) . C11B C16B 1.462(14) . C11B C15B 1.425(16) . C13B C14B 1.361(17) . C14B C15B 1.342(15) . C18B C17B 1.509(16) . C17B C26B 1.544(15) . C17B C16B 1.594(16) . C16B C27B 1.575(15) . O21B C28B 1.230(13) . N21B C22B 1.293(13) . N21B C23B 1.315(14) . C21B C22B 1.357(14) . C21B C25B 1.403(16) . C21B C26B 1.489(13) . C23B C24B 1.409(16) . C24B C25B 1.337(15) . C26B C27B 1.565(13) . C27B C28B 1.476(14) . C28B N32B 1.327(13) . N31B C31B 1.495(16) . N32B C34B 1.447(13) . C31B C32B 1.40(2) . C32B C33B 1.559(19) . C33B C34B 1.439(19) . O301 O301 1.19(7) 2_757