#------------------------------------------------------------------------------ #$Date: 2020-05-30 04:29:44 +0300 (Sat, 30 May 2020) $ #$Revision: 252468 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/05/7240588.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_7240588 loop_ _publ_author_name 'Baruah, Jubaraj Bikash' 'Singh, Munendra Pal' _publ_section_title ; Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of \p-Stacking and C-H···O Interactions ; _journal_name_full CrystEngComm _journal_paper_doi 10.1039/D0CE00555J _journal_year 2020 _chemical_formula_sum 'C52 H34 Ag2 N4 O10' _chemical_formula_weight 1090.57 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014/7 _audit_update_record ; 2019-12-30 deposited with the CCDC. 2020-05-29 downloaded from the CCDC. ; _cell_angle_alpha 108.038(7) _cell_angle_beta 100.678(6) _cell_angle_gamma 101.982(7) _cell_formula_units_Z 1 _cell_length_a 7.2353(5) _cell_length_b 11.8726(10) _cell_length_c 14.1900(10) _cell_measurement_reflns_used 2018 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 23.3910 _cell_measurement_theta_min 2.8480 _cell_volume 1092.21(16) _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 0.987 _diffrn_measured_fraction_theta_max 0.987 _diffrn_measurement_device_type 'SuperNova, Single source at offset/far, Eos' _diffrn_measurement_method '\w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0494 _diffrn_reflns_av_unetI/netI 0.0687 _diffrn_reflns_Laue_measured_fraction_full 0.987 _diffrn_reflns_Laue_measured_fraction_max 0.987 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 6926 _diffrn_reflns_point_group_measured_fraction_full 0.987 _diffrn_reflns_point_group_measured_fraction_max 0.987 _diffrn_reflns_theta_full 25.037 _diffrn_reflns_theta_max 25.037 _diffrn_reflns_theta_min 2.852 _exptl_absorpt_coefficient_mu 0.965 _exptl_crystal_colour black _exptl_crystal_density_diffrn 1.658 _exptl_crystal_description block _exptl_crystal_F_000 548 _exptl_crystal_size_max 0.26 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.14 _refine_diff_density_max 0.424 _refine_diff_density_min -0.443 _refine_diff_density_rms 0.087 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.033 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 307 _refine_ls_number_reflns 3813 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.033 _refine_ls_R_factor_all 0.0768 _refine_ls_R_factor_gt 0.0498 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1313 _refine_ls_wR_factor_ref 0.1754 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2794 _reflns_number_total 3813 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0ce00555j2.cif _cod_data_source_block complex1 _cod_original_cell_volume 1092.21(15) _cod_database_code 7240588 _shelx_shelxl_version_number 2014/7 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_res_file ; exp_6226.res created by SHELXL-2014/7 TITL exp_6226 in P-1 CELL 0.71073 7.2353 11.8726 14.1900 108.038 100.678 101.982 ZERR 1 0.0005 0.0010 0.0010 0.007 0.006 0.007 LATT 1 SFAC C H Ag N O UNIT 52 34 2 4 10 OMIT -3 50.1 L.S. 10 ACTA BOND $H FMAP 2 PLAN 10 CONF WGHT 0.100000 FVAR 4.61599 RESI 0 AG1 3 0.558699 0.525270 0.418711 11.00000 0.08018 0.09091 = 0.06699 0.04974 0.03700 0.05356 O1 5 0.592174 0.838126 0.016554 11.00000 0.04600 0.06706 = 0.08566 0.03924 0.00441 0.01484 O2 5 1.137693 0.734739 0.126253 11.00000 0.05818 0.06634 = 0.10832 0.04518 0.01877 0.03176 O4 5 0.308972 0.604587 0.416011 11.00000 0.11501 0.15866 = 0.09445 0.08585 0.06653 0.10330 O3 5 0.747219 0.406623 0.438989 11.00000 0.07196 0.08198 = 0.06091 0.03635 0.02050 0.04283 O5 5 -0.368273 0.950591 0.396130 11.00000 0.14631 0.15107 = 0.11168 0.04564 -0.00331 0.10195 N1 4 0.585714 0.537355 0.259279 11.00000 0.07150 0.05019 = 0.04785 0.02574 0.02079 0.02755 C4 1 0.795200 1.093795 0.090365 11.00000 0.07427 0.06593 = 0.06696 0.03659 0.03255 0.03565 AFIX 43 H4 2 0.662258 1.071721 0.057480 11.00000 -1.20000 AFIX 0 C1 1 0.760534 0.656621 0.024844 11.00000 0.05680 0.06122 = 0.04326 0.02240 0.01373 0.02337 AFIX 23 H1B 2 0.843676 0.609653 -0.005125 11.00000 -1.20000 H1A 2 0.646694 0.643892 -0.029758 11.00000 -1.20000 AFIX 0 C26 1 -0.332514 0.906933 0.459872 11.00000 0.08848 0.09817 = 0.09588 0.02253 0.00025 0.05687 AFIX 43 H26 2 -0.402711 0.916917 0.509087 11.00000 -1.20000 AFIX 0 C3 1 0.881510 1.003750 0.101062 11.00000 0.06141 0.04838 = 0.04576 0.02708 0.02538 0.02266 C8 1 1.083939 1.039387 0.152158 11.00000 0.05325 0.04187 = 0.04330 0.01839 0.01864 0.00832 C7 1 1.193215 1.164660 0.190101 11.00000 0.07752 0.04606 = 0.04729 0.01200 0.02575 -0.00128 C12 1 1.396438 1.196110 0.239537 11.00000 0.07622 0.07348 = 0.06338 0.01968 0.02929 -0.00606 AFIX 43 H12 2 1.471035 1.278287 0.264697 11.00000 -1.20000 AFIX 0 C11 1 1.483930 1.108364 0.250762 11.00000 0.05363 0.08667 = 0.06385 0.02128 0.00135 -0.01869 AFIX 43 H11 2 1.616979 1.131021 0.283616 11.00000 -1.20000 AFIX 0 C10 1 1.374516 0.984203 0.213074 11.00000 0.05136 0.08785 = 0.05515 0.02399 0.01003 0.02339 AFIX 43 H10 2 1.435385 0.925010 0.221734 11.00000 -1.20000 AFIX 0 C9 1 1.177413 0.948448 0.163210 11.00000 0.04568 0.06053 = 0.04451 0.02442 0.01069 0.01340 C13 1 1.068092 0.817667 0.121179 11.00000 0.04284 0.05497 = 0.05071 0.02664 0.01305 0.01487 N2 4 0.868659 0.788151 0.070044 11.00000 0.04449 0.04434 = 0.04797 0.02187 0.01269 0.01259 C2 1 0.767141 0.874097 0.059938 11.00000 0.04851 0.05137 = 0.04490 0.02709 0.01394 0.01843 C6 1 1.098646 1.253718 0.178119 11.00000 0.11518 0.03560 = 0.06596 0.01998 0.04149 0.01368 AFIX 43 H6 2 1.168725 1.336865 0.204258 11.00000 -1.20000 AFIX 0 C5 1 0.904746 1.217896 0.128273 11.00000 0.11625 0.06643 = 0.07735 0.04283 0.05097 0.04886 AFIX 43 H5 2 0.843899 1.276955 0.119229 11.00000 -1.20000 AFIX 0 C14 1 0.694422 0.609798 0.105031 11.00000 0.03997 0.03381 = 0.04490 0.01135 0.01460 0.00760 C18 1 0.788484 0.539675 0.145889 11.00000 0.05924 0.05629 = 0.06389 0.02790 0.02615 0.03537 AFIX 43 H18 2 0.891510 0.516234 0.122406 11.00000 -1.20000 AFIX 0 C17 1 0.729952 0.504166 0.221664 11.00000 0.07493 0.06220 = 0.06090 0.03419 0.03018 0.04084 AFIX 43 H17 2 0.793303 0.455189 0.247642 11.00000 -1.20000 AFIX 0 C16 1 0.488665 0.601161 0.217225 11.00000 0.05140 0.04060 = 0.05531 0.01808 0.02048 0.01518 AFIX 43 H16 2 0.381145 0.618971 0.239236 11.00000 -1.20000 AFIX 0 C15 1 0.541114 0.641998 0.142236 11.00000 0.04358 0.05629 = 0.04740 0.02197 0.01023 0.02237 AFIX 43 H15 2 0.474755 0.690315 0.117062 11.00000 -1.20000 AFIX 0 C20 1 0.084304 0.703402 0.480023 11.00000 0.04737 0.04966 = 0.04698 0.01558 0.00796 0.01759 C21 1 0.063242 0.755254 0.405198 11.00000 0.05780 0.05750 = 0.06217 0.02355 0.01346 0.01746 AFIX 43 H21 2 0.137604 0.743815 0.357958 11.00000 -1.20000 AFIX 0 C22 1 -0.069169 0.824511 0.400604 11.00000 0.06444 0.07067 = 0.06648 0.03252 -0.00033 0.02826 AFIX 43 H22 2 -0.079055 0.862004 0.351961 11.00000 -1.20000 AFIX 0 C23 1 -0.185214 0.837945 0.467208 11.00000 0.06677 0.06619 = 0.05811 0.01089 0.00419 0.03452 C24 1 -0.166517 0.785038 0.541305 11.00000 0.06480 0.07899 = 0.05615 0.01229 0.01865 0.03675 AFIX 43 H24 2 -0.243796 0.794612 0.587187 11.00000 -1.20000 AFIX 0 C25 1 -0.032115 0.717538 0.547143 11.00000 0.06477 0.07328 = 0.06075 0.02562 0.01527 0.03814 AFIX 43 H25 2 -0.020537 0.681547 0.596772 11.00000 -1.20000 AFIX 0 C19 1 0.228278 0.627981 0.487623 11.00000 0.04595 0.05976 = 0.05845 0.02439 0.01512 0.01814 HKLF 4 REM exp_6226 in P-1 REM R1 = 0.0498 for 2794 Fo > 4sig(Fo) and 0.0768 for all 3813 data REM 307 parameters refined using 0 restraints END WGHT 0.0349 1.7785 REM Highest difference peak 0.424, deepest hole -0.443, 1-sigma level 0.087 Q1 1 0.5955 0.5674 0.3552 11.00000 0.05 0.42 Q2 1 0.7460 0.5551 0.4557 11.00000 0.05 0.40 Q3 1 0.6282 0.4663 0.3958 11.00000 0.05 0.39 Q4 1 0.5183 0.5851 0.2871 11.00000 0.05 0.39 Q5 1 0.3941 0.5556 0.4622 11.00000 0.05 0.35 Q6 1 0.5820 0.5839 0.0976 11.00000 0.05 0.34 Q7 1 0.3861 0.5386 0.4073 11.00000 0.05 0.34 Q8 1 0.6466 1.2763 0.0863 11.00000 0.05 0.34 Q9 1 0.6191 0.7038 -0.0379 11.00000 0.05 0.34 Q10 1 0.4181 0.6002 0.2910 11.00000 0.05 0.34 ; _shelx_res_checksum 72253 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.55870(7) 0.52527(5) 0.41871(4) 0.0669(3) Uani 1 1 d . . . . . O1 O 0.5922(5) 0.8381(4) 0.0166(4) 0.0655(12) Uani 1 1 d . . . . . O2 O 1.1377(6) 0.7347(4) 0.1263(4) 0.0725(13) Uani 1 1 d . . . . . O4 O 0.3090(8) 0.6046(6) 0.4160(4) 0.097(2) Uani 1 1 d . . . . . O3 O 0.7472(6) 0.4066(4) 0.4390(3) 0.0653(12) Uani 1 1 d . . . . . O5 O -0.3683(10) 0.9506(6) 0.3961(5) 0.133(3) Uani 1 1 d . . . . . N1 N 0.5857(7) 0.5374(4) 0.2593(4) 0.0522(12) Uani 1 1 d . . . . . C4 C 0.7952(10) 1.0938(6) 0.0904(5) 0.0615(17) Uani 1 1 d . . . . . H4 H 0.6623 1.0717 0.0575 0.074 Uiso 1 1 calc R U . . . C1 C 0.7605(8) 0.6566(5) 0.0248(4) 0.0518(14) Uani 1 1 d . . . . . H1B H 0.8437 0.6097 -0.0051 0.062 Uiso 1 1 calc R U . . . H1A H 0.6467 0.6439 -0.0298 0.062 Uiso 1 1 calc R U . . . C26 C -0.3325(12) 0.9069(8) 0.4599(7) 0.096(3) Uani 1 1 d . . . . . H26 H -0.4027 0.9169 0.5091 0.115 Uiso 1 1 calc R U . . . C3 C 0.8815(8) 1.0037(5) 0.1011(4) 0.0467(13) Uani 1 1 d . . . . . C8 C 1.0839(8) 1.0394(5) 0.1522(4) 0.0454(12) Uani 1 1 d . . . . . C7 C 1.1932(10) 1.1647(6) 0.1901(5) 0.0599(16) Uani 1 1 d . . . . . C12 C 1.3964(11) 1.1961(7) 0.2395(5) 0.075(2) Uani 1 1 d . . . . . H12 H 1.4710 1.2783 0.2647 0.090 Uiso 1 1 calc R U . . . C11 C 1.4839(10) 1.1084(8) 0.2508(6) 0.078(2) Uani 1 1 d . . . . . H11 H 1.6170 1.1310 0.2836 0.093 Uiso 1 1 calc R U . . . C10 C 1.3745(8) 0.9842(7) 0.2131(5) 0.0653(17) Uani 1 1 d . . . . . H10 H 1.4354 0.9250 0.2217 0.078 Uiso 1 1 calc R U . . . C9 C 1.1774(8) 0.9484(5) 0.1632(4) 0.0494(13) Uani 1 1 d . . . . . C13 C 1.0681(7) 0.8177(5) 0.1212(4) 0.0474(13) Uani 1 1 d . . . . . N2 N 0.8687(6) 0.7882(4) 0.0700(3) 0.0443(10) Uani 1 1 d . . . . . C2 C 0.7671(8) 0.8741(5) 0.0599(4) 0.0450(12) Uani 1 1 d . . . . . C6 C 1.0986(12) 1.2537(6) 0.1781(5) 0.0706(19) Uani 1 1 d . . . . . H6 H 1.1687 1.3369 0.2043 0.085 Uiso 1 1 calc R U . . . C5 C 0.9047(13) 1.2179(7) 0.1283(6) 0.075(2) Uani 1 1 d . . . . . H5 H 0.8439 1.2770 0.1192 0.090 Uiso 1 1 calc R U . . . C14 C 0.6944(7) 0.6098(5) 0.1050(4) 0.0403(11) Uani 1 1 d . . . . . C18 C 0.7885(8) 0.5397(5) 0.1459(5) 0.0539(15) Uani 1 1 d . . . . . H18 H 0.8915 0.5162 0.1224 0.065 Uiso 1 1 calc R U . . . C17 C 0.7300(9) 0.5042(5) 0.2217(5) 0.0579(16) Uani 1 1 d . . . . . H17 H 0.7933 0.4552 0.2476 0.069 Uiso 1 1 calc R U . . . C16 C 0.4887(8) 0.6012(5) 0.2172(4) 0.0477(13) Uani 1 1 d . . . . . H16 H 0.3811 0.6190 0.2392 0.057 Uiso 1 1 calc R U . . . C15 C 0.5411(7) 0.6420(5) 0.1422(4) 0.0473(13) Uani 1 1 d . . . . . H15 H 0.4748 0.6903 0.1171 0.057 Uiso 1 1 calc R U . . . C20 C 0.0843(8) 0.7034(5) 0.4800(4) 0.0485(13) Uani 1 1 d . . . . . C21 C 0.0632(9) 0.7553(6) 0.4052(5) 0.0589(15) Uani 1 1 d . . . . . H21 H 0.1376 0.7438 0.3580 0.071 Uiso 1 1 calc R U . . . C22 C -0.0692(9) 0.8245(6) 0.4006(5) 0.0664(18) Uani 1 1 d . . . . . H22 H -0.0791 0.8620 0.3520 0.080 Uiso 1 1 calc R U . . . C23 C -0.1852(9) 0.8379(6) 0.4672(5) 0.0658(18) Uani 1 1 d . . . . . C24 C -0.1665(9) 0.7850(6) 0.5413(5) 0.0667(18) Uani 1 1 d . . . . . H24 H -0.2438 0.7946 0.5872 0.080 Uiso 1 1 calc R U . . . C25 C -0.0321(9) 0.7175(6) 0.5471(5) 0.0632(17) Uani 1 1 d . . . . . H25 H -0.0205 0.6815 0.5968 0.076 Uiso 1 1 calc R U . . . C19 C 0.2283(8) 0.6280(6) 0.4876(5) 0.0533(14) 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 0.0802(4) 0.0909(5) 0.0670(4) 0.0497(3) 0.0370(3) 0.0536(3) O1 0.046(2) 0.067(3) 0.086(3) 0.039(3) 0.004(2) 0.015(2) O2 0.058(2) 0.066(3) 0.108(4) 0.045(3) 0.019(3) 0.032(2) O4 0.115(4) 0.159(6) 0.094(4) 0.086(4) 0.067(3) 0.103(4) O3 0.072(3) 0.082(3) 0.061(3) 0.036(2) 0.021(2) 0.043(3) O5 0.146(6) 0.151(6) 0.112(5) 0.046(5) -0.003(4) 0.102(5) N1 0.071(3) 0.050(3) 0.048(3) 0.026(2) 0.021(2) 0.028(3) C4 0.074(4) 0.066(5) 0.067(4) 0.037(3) 0.033(3) 0.036(4) C1 0.057(3) 0.061(4) 0.043(3) 0.022(3) 0.014(3) 0.023(3) C26 0.088(5) 0.098(6) 0.096(6) 0.023(5) 0.000(5) 0.057(5) C3 0.061(3) 0.048(4) 0.046(3) 0.027(3) 0.025(3) 0.023(3) C8 0.053(3) 0.042(3) 0.043(3) 0.018(3) 0.019(3) 0.008(3) C7 0.078(4) 0.046(4) 0.047(3) 0.012(3) 0.026(3) -0.001(3) C12 0.076(5) 0.073(5) 0.063(4) 0.020(4) 0.029(4) -0.006(4) C11 0.054(4) 0.087(6) 0.064(4) 0.021(4) 0.001(3) -0.019(4) C10 0.051(3) 0.088(5) 0.055(4) 0.024(4) 0.010(3) 0.023(4) C9 0.046(3) 0.061(4) 0.045(3) 0.024(3) 0.011(3) 0.013(3) C13 0.043(3) 0.055(4) 0.051(3) 0.027(3) 0.013(3) 0.015(3) N2 0.044(2) 0.044(3) 0.048(3) 0.022(2) 0.013(2) 0.013(2) C2 0.049(3) 0.051(4) 0.045(3) 0.027(3) 0.014(3) 0.018(3) C6 0.115(6) 0.036(4) 0.066(4) 0.020(3) 0.041(4) 0.014(4) C5 0.116(6) 0.066(5) 0.077(5) 0.043(4) 0.051(5) 0.049(5) C14 0.040(3) 0.034(3) 0.045(3) 0.011(2) 0.015(2) 0.008(2) C18 0.059(3) 0.056(4) 0.064(4) 0.028(3) 0.026(3) 0.035(3) C17 0.075(4) 0.062(4) 0.061(4) 0.034(3) 0.030(3) 0.041(3) C16 0.051(3) 0.041(3) 0.055(3) 0.018(3) 0.020(3) 0.015(3) C15 0.044(3) 0.056(4) 0.047(3) 0.022(3) 0.010(2) 0.022(3) C20 0.047(3) 0.050(4) 0.047(3) 0.016(3) 0.008(3) 0.018(3) C21 0.058(3) 0.057(4) 0.062(4) 0.024(3) 0.013(3) 0.017(3) C22 0.064(4) 0.071(5) 0.066(4) 0.033(4) 0.000(3) 0.028(4) C23 0.067(4) 0.066(5) 0.058(4) 0.011(3) 0.004(3) 0.035(4) C24 0.065(4) 0.079(5) 0.056(4) 0.012(3) 0.019(3) 0.037(4) C25 0.065(4) 0.073(5) 0.061(4) 0.026(3) 0.015(3) 0.038(4) C19 0.046(3) 0.060(4) 0.058(4) 0.024(3) 0.015(3) 0.018(3) 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' 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 O3 Ag1 O4 161.45(19) . . ? O3 Ag1 N1 101.25(16) . . ? O4 Ag1 N1 92.33(17) . . ? O3 Ag1 Ag1 82.56(11) . 2_666 ? O4 Ag1 Ag1 81.49(12) . 2_666 ? N1 Ag1 Ag1 166.80(14) . 2_666 ? C19 O4 Ag1 124.0(4) . . ? C19 O3 Ag1 123.9(4) 2_666 . ? C16 N1 C17 118.1(5) . . ? C16 N1 Ag1 120.7(4) . . ? C17 N1 Ag1 119.5(4) . . ? C3 C4 C5 120.9(6) . . ? C3 C4 H4 119.5 . . ? C5 C4 H4 119.5 . . ? N2 C1 C14 111.4(4) . . ? N2 C1 H1B 109.3 . . ? C14 C1 H1B 109.3 . . ? N2 C1 H1A 109.3 . . ? C14 C1 H1A 109.3 . . ? H1B C1 H1A 108.0 . . ? O5 C26 C23 125.2(9) . . ? O5 C26 H26 117.4 . . ? C23 C26 H26 117.4 . . ? C4 C3 C8 118.7(6) . . ? C4 C3 C2 120.7(5) . . ? C8 C3 C2 120.6(4) . . ? C7 C8 C3 120.0(5) . . ? C7 C8 C9 120.0(5) . . ? C3 C8 C9 119.9(5) . . ? C6 C7 C8 119.4(6) . . ? C6 C7 C12 122.5(6) . . ? C8 C7 C12 118.2(6) . . ? C11 C12 C7 121.3(7) . . ? C11 C12 H12 119.4 . . ? C7 C12 H12 119.4 . . ? C12 C11 C10 120.2(6) . . ? C12 C11 H11 119.9 . . ? C10 C11 H11 119.9 . . ? C9 C10 C11 120.8(6) . . ? C9 C10 H10 119.6 . . ? C11 C10 H10 119.6 . . ? C10 C9 C8 119.4(6) . . ? C10 C9 C13 119.7(5) . . ? C8 C9 C13 120.8(5) . . ? O2 C13 N2 118.8(5) . . ? O2 C13 C9 124.7(5) . . ? N2 C13 C9 116.5(4) . . ? C2 N2 C13 125.2(5) . . ? C2 N2 C1 118.3(4) . . ? C13 N2 C1 116.5(4) . . ? O1 C2 N2 119.6(5) . . ? O1 C2 C3 123.6(5) . . ? N2 C2 C3 116.9(5) . . ? C5 C6 C7 119.9(6) . . ? C5 C6 H6 120.1 . . ? C7 C6 H6 120.1 . . ? C6 C5 C4 121.1(6) . . ? C6 C5 H5 119.4 . . ? C4 C5 H5 119.4 . . ? C18 C14 C15 118.0(5) . . ? C18 C14 C1 121.6(5) . . ? C15 C14 C1 120.3(5) . . ? C14 C18 C17 119.8(5) . . ? C14 C18 H18 120.1 . . ? C17 C18 H18 120.1 . . ? N1 C17 C18 122.4(5) . . ? N1 C17 H17 118.8 . . ? C18 C17 H17 118.8 . . ? N1 C16 C15 122.6(5) . . ? N1 C16 H16 118.7 . . ? C15 C16 H16 118.7 . . ? C16 C15 C14 118.9(5) . . ? C16 C15 H15 120.5 . . ? C14 C15 H15 120.5 . . ? C25 C20 C21 119.2(5) . . ? C25 C20 C19 119.4(5) . . ? C21 C20 C19 121.4(5) . . ? C20 C21 C22 120.0(6) . . ? C20 C21 H21 120.0 . . ? C22 C21 H21 120.0 . . ? C23 C22 C21 120.5(6) . . ? C23 C22 H22 119.7 . . ? C21 C22 H22 119.7 . . ? C22 C23 C24 119.7(5) . . ? C22 C23 C26 120.9(7) . . ? C24 C23 C26 119.5(7) . . ? C23 C24 C25 119.9(6) . . ? C23 C24 H24 120.1 . . ? C25 C24 H24 120.1 . . ? C20 C25 C24 120.6(6) . . ? C20 C25 H25 119.7 . . ? C24 C25 H25 119.7 . . ? O3 C19 O4 125.8(5) 2_666 . ? O3 C19 C20 118.3(5) 2_666 . ? O4 C19 C20 115.9(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 O3 2.198(4) . ? Ag1 O4 2.204(4) . ? Ag1 N1 2.352(5) . ? Ag1 Ag1 2.7885(9) 2_666 ? O1 C2 1.220(6) . ? O2 C13 1.210(6) . ? O4 C19 1.250(7) . ? O3 C19 1.229(7) 2_666 ? O5 C26 1.189(10) . ? N1 C16 1.330(7) . ? N1 C17 1.333(7) . ? C4 C3 1.378(7) . ? C4 C5 1.398(10) . ? C4 H4 0.9300 . ? C1 N2 1.466(7) . ? C1 C14 1.522(7) . ? C1 H1B 0.9700 . ? C1 H1A 0.9700 . ? C26 C23 1.480(9) . ? C26 H26 0.9300 . ? C3 C8 1.417(7) . ? C3 C2 1.460(8) . ? C8 C7 1.409(8) . ? C8 C9 1.420(7) . ? C7 C6 1.408(9) . ? C7 C12 1.422(10) . ? C12 C11 1.360(10) . ? C12 H12 0.9300 . ? C11 C10 1.399(9) . ? C11 H11 0.9300 . ? C10 C9 1.380(7) . ? C10 H10 0.9300 . ? C9 C13 1.461(8) . ? C13 N2 1.406(6) . ? N2 C2 1.401(6) . ? C6 C5 1.359(10) . ? C6 H6 0.9300 . ? C5 H5 0.9300 . ? C14 C18 1.371(7) . ? C14 C15 1.387(7) . ? C18 C17 1.374(8) . ? C18 H18 0.9300 . ? C17 H17 0.9300 . ? C16 C15 1.380(8) . ? C16 H16 0.9300 . ? C15 H15 0.9300 . ? C20 C25 1.379(8) . ? C20 C21 1.383(8) . ? C20 C19 1.518(7) . ? C21 C22 1.391(8) . ? C21 H21 0.9300 . ? C22 C23 1.371(9) . ? C22 H22 0.9300 . ? C23 C24 1.382(9) . ? C24 C25 1.389(8) . ? C24 H24 0.9300 . ? C25 H25 0.9300 . ? C19 O3 1.229(7) 2_666 ? 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 C5 C4 C3 C8 0.5(8) . . . . ? C5 C4 C3 C2 -179.0(5) . . . . ? C4 C3 C8 C7 -0.5(7) . . . . ? C2 C3 C8 C7 179.0(5) . . . . ? C4 C3 C8 C9 -179.2(5) . . . . ? C2 C3 C8 C9 0.3(7) . . . . ? C3 C8 C7 C6 1.0(8) . . . . ? C9 C8 C7 C6 179.7(5) . . . . ? C3 C8 C7 C12 -179.1(5) . . . . ? C9 C8 C7 C12 -0.4(8) . . . . ? C6 C7 C12 C11 179.5(6) . . . . ? C8 C7 C12 C11 -0.4(9) . . . . ? C7 C12 C11 C10 0.3(10) . . . . ? C12 C11 C10 C9 0.6(10) . . . . ? C11 C10 C9 C8 -1.4(9) . . . . ? C11 C10 C9 C13 177.7(6) . . . . ? C7 C8 C9 C10 1.3(8) . . . . ? C3 C8 C9 C10 180.0(5) . . . . ? C7 C8 C9 C13 -177.8(5) . . . . ? C3 C8 C9 C13 0.9(7) . . . . ? C10 C9 C13 O2 -0.1(9) . . . . ? C8 C9 C13 O2 179.0(5) . . . . ? C10 C9 C13 N2 -179.0(5) . . . . ? C8 C9 C13 N2 0.1(7) . . . . ? O2 C13 N2 C2 178.6(5) . . . . ? C9 C13 N2 C2 -2.4(7) . . . . ? O2 C13 N2 C1 -1.0(7) . . . . ? C9 C13 N2 C1 178.0(4) . . . . ? C14 C1 N2 C2 -97.7(5) . . . . ? C14 C1 N2 C13 81.9(5) . . . . ? C13 N2 C2 O1 -177.7(5) . . . . ? C1 N2 C2 O1 1.8(7) . . . . ? C13 N2 C2 C3 3.6(7) . . . . ? C1 N2 C2 C3 -176.9(4) . . . . ? C4 C3 C2 O1 -1.5(8) . . . . ? C8 C3 C2 O1 179.0(5) . . . . ? C4 C3 C2 N2 177.1(5) . . . . ? C8 C3 C2 N2 -2.4(7) . . . . ? C8 C7 C6 C5 -1.5(9) . . . . ? C12 C7 C6 C5 178.6(6) . . . . ? C7 C6 C5 C4 1.5(10) . . . . ? C3 C4 C5 C6 -1.0(9) . . . . ? N2 C1 C14 C18 -103.7(6) . . . . ? N2 C1 C14 C15 73.5(6) . . . . ? C15 C14 C18 C17 -0.3(9) . . . . ? C1 C14 C18 C17 176.9(6) . . . . ? C16 N1 C17 C18 3.9(10) . . . . ? Ag1 N1 C17 C18 -161.6(5) . . . . ? C14 C18 C17 N1 -1.3(10) . . . . ? C17 N1 C16 C15 -5.1(9) . . . . ? Ag1 N1 C16 C15 160.2(4) . . . . ? N1 C16 C15 C14 3.6(9) . . . . ? C18 C14 C15 C16 -0.8(8) . . . . ? C1 C14 C15 C16 -178.0(5) . . . . ? C25 C20 C21 C22 2.3(10) . . . . ? C19 C20 C21 C22 -179.6(6) . . . . ? C20 C21 C22 C23 -2.6(10) . . . . ? C21 C22 C23 C24 1.8(11) . . . . ? C21 C22 C23 C26 -177.3(7) . . . . ? O5 C26 C23 C22 3.2(14) . . . . ? O5 C26 C23 C24 -175.9(9) . . . . ? C22 C23 C24 C25 -0.7(11) . . . . ? C26 C23 C24 C25 178.4(7) . . . . ? C21 C20 C25 C24 -1.3(10) . . . . ? C19 C20 C25 C24 -179.4(6) . . . . ? C23 C24 C25 C20 0.5(11) . . . . ? Ag1 O4 C19 O3 -12.3(10) . . . 2_666 ? Ag1 O4 C19 C20 169.2(4) . . . . ? C25 C20 C19 O3 -8.2(9) . . . 2_666 ? C21 C20 C19 O3 173.8(6) . . . 2_666 ? C25 C20 C19 O4 170.4(6) . . . . ? C21 C20 C19 O4 -7.6(9) . . . . ?