#------------------------------------------------------------------------------ #$Date: 2019-09-13 03:43:03 +0300 (Fri, 13 Sep 2019) $ #$Revision: 218237 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/23/38/7233815.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_7233815 loop_ _publ_author_name 'Liu, Wei' 'Chen, Cong-Cong' 'Mao, Ling-Ling' 'Wu, Si-Guo' 'Wang, Long-Fei' 'Tong, Ming-Liang' _publ_section_title ; Tuning the Net Topology of Ternary Ag(I)-1,2,4,5-Tetra(4-pyridyl)benzene-Carboxylate Framework: Structures and Photoluminescence ; _journal_name_full CrystEngComm _journal_paper_doi 10.1039/C9CE01155B _journal_year 2019 _chemical_formula_sum 'C20 H14 Ag N2 O2' _chemical_formula_weight 422.20 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens geom _audit_block_doi 10.5517/ccdc.csd.cc22j3nd _audit_creation_method SHELXL-2014/7 _audit_update_record ; 2019-06-10 deposited with the CCDC. 2019-09-12 downloaded from the CCDC. ; _cell_angle_alpha 83.923(7) _cell_angle_beta 78.995(7) _cell_angle_gamma 84.363(6) _cell_formula_units_Z 2 _cell_length_a 8.2278(6) _cell_length_b 9.2785(8) _cell_length_c 11.2960(11) _cell_measurement_reflns_used 6181 _cell_measurement_temperature 120(2) _cell_measurement_theta_max 55.064 _cell_measurement_theta_min 5.060 _cell_volume 839.05(13) _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _diffrn_ambient_temperature 120(2) _diffrn_measured_fraction_theta_full 0.974 _diffrn_measured_fraction_theta_max 0.956 _diffrn_measurement_device_type 'Bruker AXS' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0935 _diffrn_reflns_av_unetI/netI 0.0622 _diffrn_reflns_Laue_measured_fraction_full 0.974 _diffrn_reflns_Laue_measured_fraction_max 0.956 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 8811 _diffrn_reflns_point_group_measured_fraction_full 0.974 _diffrn_reflns_point_group_measured_fraction_max 0.956 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.542 _diffrn_reflns_theta_min 1.844 _exptl_absorpt_coefficient_mu 1.216 _exptl_absorpt_correction_type multi-scan _exptl_crystal_colour YELLOW _exptl_crystal_density_diffrn 1.671 _exptl_crystal_description BLOCK _exptl_crystal_F_000 422 _exptl_crystal_size_max 0.259 _exptl_crystal_size_mid 0.223 _exptl_crystal_size_min 0.186 _exptl_transmission_factor_max 0.798 _exptl_transmission_factor_min 0.737 _refine_diff_density_max 0.585 _refine_diff_density_min -1.457 _refine_diff_density_rms 0.145 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.061 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 226 _refine_ls_number_reflns 3701 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.061 _refine_ls_R_factor_all 0.0434 _refine_ls_R_factor_gt 0.0377 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0387P)^2^+1.0021P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0874 _refine_ls_wR_factor_ref 0.0907 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3367 _reflns_number_total 3701 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c9ce01155b2.cif _cod_data_source_block 1 _cod_depositor_comments ; The following automatic conversions were performed: '_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to 'multi-scan' according to /home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26. Automatic conversion script Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas ; _cod_database_code 7233815 _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_estimated_absorpt_t_min 0.744 _shelx_estimated_absorpt_t_max 0.805 _shelx_res_file ; A.res created by SHELXL-2014/7 TITL A_a.res in P-1 CELL 0.71073 8.2278 9.2785 11.296 83.923 78.995 84.363 ZERR 2.00 0.0006 0.0008 0.0011 0.007 0.007 0.006 LATT 1 SFAC C H N O AG UNIT 40 28 4 4 2 ACTA TEMP -153.15 OMIT 0 1 0 L.S. 20 FMAP 2 BOND $H SIZE 0.186 0.223 0.259 CONF PLAN -1 WGHT 0.038700 1.002100 FVAR 0.24719 AG1 5 1.042188 0.082087 0.103248 11.00000 0.01637 0.01672 = 0.01019 0.00482 0.00029 -0.00261 O1 4 0.788832 0.224848 0.120548 11.00000 0.02287 0.02190 = 0.01268 -0.00022 0.00424 -0.00089 O2 4 0.809299 0.152619 0.311821 11.00000 0.02050 0.04320 = 0.01474 -0.00606 -0.00463 0.00290 N1 3 1.168021 0.200789 -0.068395 11.00000 0.01704 0.01365 = 0.00970 0.00169 0.00019 -0.00366 N2 3 1.881385 0.112320 -0.215054 11.00000 0.01632 0.01783 = 0.00935 0.00320 -0.00242 -0.00322 C1 1 1.421351 0.428155 -0.391267 11.00000 0.01882 0.01033 = 0.00770 0.00155 -0.00139 -0.00459 C2 1 1.595308 0.407513 -0.427945 11.00000 0.01569 0.01170 = 0.00934 0.00116 -0.00217 -0.00315 C3 1 1.669790 0.479397 -0.536234 11.00000 0.01063 0.01432 = 0.01338 0.00147 -0.00156 -0.00391 AFIX 43 H3 2 1.786700 0.464735 -0.561330 11.00000 -1.20000 AFIX 0 C4 1 1.331323 0.348293 -0.280962 11.00000 0.01407 0.01222 = 0.00912 0.00213 -0.00321 -0.00528 C5 1 1.205726 0.419209 -0.201220 11.00000 0.02055 0.01233 = 0.01563 0.00283 -0.00087 -0.00296 AFIX 43 H5 2 1.174248 0.519525 -0.217716 11.00000 -1.20000 AFIX 0 C6 1 1.127640 0.342225 -0.098131 11.00000 0.01696 0.01552 = 0.01512 -0.00097 0.00198 -0.00068 AFIX 43 H6 2 1.041040 0.391662 -0.045575 11.00000 -1.20000 AFIX 0 C7 1 1.285355 0.131803 -0.146550 11.00000 0.01777 0.01110 = 0.01504 0.00134 -0.00224 -0.00513 AFIX 43 H7 2 1.313838 0.031386 -0.127704 11.00000 -1.20000 AFIX 0 C8 1 1.367127 0.199340 -0.253275 11.00000 0.01294 0.01233 = 0.01012 -0.00192 0.00172 -0.00308 AFIX 43 H8 2 1.446838 0.145151 -0.307280 11.00000 -1.20000 AFIX 0 C9 1 1.702634 0.311725 -0.354779 11.00000 0.01303 0.01375 = 0.01115 0.00362 -0.00173 -0.00622 C10 1 1.692322 0.324164 -0.231564 11.00000 0.01817 0.01433 = 0.01079 -0.00106 -0.00319 -0.00436 AFIX 43 H10 2 1.624984 0.401500 -0.193557 11.00000 -1.20000 AFIX 0 C11 1 1.781850 0.221938 -0.165263 11.00000 0.01779 0.01775 = 0.00957 -0.00089 -0.00348 -0.00381 AFIX 43 H11 2 1.772302 0.229858 -0.081009 11.00000 -1.20000 AFIX 0 C12 1 1.898488 0.105815 -0.335376 11.00000 0.01516 0.01827 = 0.01177 0.00223 -0.00036 -0.00203 AFIX 43 H12 2 1.973493 0.032111 -0.372397 11.00000 -1.20000 AFIX 0 C13 1 1.811208 0.202185 -0.407444 11.00000 0.01600 0.01922 = 0.00858 0.00129 0.00002 -0.00191 AFIX 43 H13 2 1.825440 0.193464 -0.491913 11.00000 -1.20000 AFIX 0 C14 1 0.727236 0.199062 0.231643 11.00000 0.01822 0.01319 = 0.01201 -0.00367 -0.00275 -0.00282 C15 1 0.539863 0.220749 0.267054 11.00000 0.01714 0.01435 = 0.01681 -0.00676 -0.00289 -0.00255 C16 1 0.443225 0.280997 0.183326 11.00000 0.02213 0.01983 = 0.02510 -0.00506 -0.00742 -0.00104 AFIX 43 H16 2 0.494752 0.310428 0.102919 11.00000 -1.20000 AFIX 0 C17 1 0.270622 0.298508 0.216816 11.00000 0.02144 0.02652 = 0.04283 -0.01381 -0.01617 0.00239 AFIX 43 H17 2 0.204773 0.340691 0.159626 11.00000 -1.20000 AFIX 0 C18 1 0.195376 0.253871 0.334429 11.00000 0.01757 0.03448 = 0.05043 -0.02015 -0.00168 -0.00566 AFIX 43 H18 2 0.077916 0.265214 0.357420 11.00000 -1.20000 AFIX 0 C19 1 0.290974 0.193291 0.417497 11.00000 0.02701 0.03788 = 0.02864 -0.01084 0.00520 -0.01334 AFIX 43 H19 2 0.239365 0.162777 0.497634 11.00000 -1.20000 AFIX 0 C20 1 0.462982 0.176780 0.384111 11.00000 0.01911 0.02693 = 0.01841 -0.00545 -0.00228 -0.00847 AFIX 43 H20 2 0.528411 0.135142 0.441738 11.00000 -1.20000 AFIX 0 HKLF 4 REM A_a.res in P-1 REM R1 = 0.0377 for 3367 Fo > 4sig(Fo) and 0.0434 for all 3701 data REM 226 parameters refined using 0 restraints END WGHT 0.0387 1.0021 REM Highest difference peak 0.585, deepest hole -1.457, 1-sigma level 0.145 Q1 1 1.0723 0.1576 0.1216 11.00000 0.05 0.58 ; _shelx_res_checksum 2438 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 Ag1 Ag 1.04219(3) 0.08209(2) 0.10325(2) 0.01514(9) Uani 1 1 d . . O1 O 0.7888(3) 0.2248(2) 0.1205(2) 0.0203(5) Uani 1 1 d . . O2 O 0.8093(3) 0.1526(3) 0.3118(2) 0.0261(5) Uani 1 1 d . . N1 N 1.1680(3) 0.2008(3) -0.0684(2) 0.0138(5) Uani 1 1 d . . N2 N 1.8814(3) 0.1123(3) -0.2151(2) 0.0147(5) Uani 1 1 d . . C1 C 1.4214(4) 0.4282(3) -0.3913(2) 0.0124(6) Uani 1 1 d . . C2 C 1.5953(4) 0.4075(3) -0.4279(3) 0.0123(6) Uani 1 1 d . . C3 C 1.6698(4) 0.4794(3) -0.5362(3) 0.0129(6) Uani 1 1 d . . H3 H 1.7867 0.4647 -0.5613 0.015 Uiso 1 1 calc R U C4 C 1.3313(4) 0.3483(3) -0.2810(3) 0.0116(6) Uani 1 1 d . . C5 C 1.2057(4) 0.4192(3) -0.2012(3) 0.0167(6) Uani 1 1 d . . H5 H 1.1742 0.5195 -0.2177 0.020 Uiso 1 1 calc R U C6 C 1.1276(4) 0.3422(3) -0.0981(3) 0.0166(6) Uani 1 1 d . . H6 H 1.0410 0.3917 -0.0456 0.020 Uiso 1 1 calc R U C7 C 1.2854(4) 0.1318(3) -0.1466(3) 0.0147(6) Uani 1 1 d . . H7 H 1.3138 0.0314 -0.1277 0.018 Uiso 1 1 calc R U C8 C 1.3671(4) 0.1993(3) -0.2533(3) 0.0121(6) Uani 1 1 d . . H8 H 1.4468 0.1452 -0.3073 0.015 Uiso 1 1 calc R U C9 C 1.7026(4) 0.3117(3) -0.3548(3) 0.0127(6) Uani 1 1 d . . C10 C 1.6923(4) 0.3242(3) -0.2316(3) 0.0142(6) Uani 1 1 d . . H10 H 1.6250 0.4015 -0.1936 0.017 Uiso 1 1 calc R U C11 C 1.7819(4) 0.2219(3) -0.1653(3) 0.0148(6) Uani 1 1 d . . H11 H 1.7723 0.2299 -0.0810 0.018 Uiso 1 1 calc R U C12 C 1.8985(4) 0.1058(3) -0.3354(3) 0.0156(6) Uani 1 1 d . . H12 H 1.9735 0.0321 -0.3724 0.019 Uiso 1 1 calc R U C13 C 1.8112(4) 0.2022(3) -0.4074(3) 0.0150(6) Uani 1 1 d . . H13 H 1.8254 0.1935 -0.4919 0.018 Uiso 1 1 calc R U C14 C 0.7272(4) 0.1991(3) 0.2316(3) 0.0142(6) Uani 1 1 d . . C15 C 0.5399(4) 0.2207(3) 0.2671(3) 0.0156(6) Uani 1 1 d . . C16 C 0.4432(4) 0.2810(4) 0.1833(3) 0.0218(7) Uani 1 1 d . . H16 H 0.4948 0.3104 0.1029 0.026 Uiso 1 1 calc R U C17 C 0.2706(5) 0.2985(4) 0.2168(4) 0.0284(8) Uani 1 1 d . . H17 H 0.2048 0.3407 0.1596 0.034 Uiso 1 1 calc R U C18 C 0.1954(5) 0.2539(4) 0.3344(4) 0.0333(9) Uani 1 1 d . . H18 H 0.0779 0.2652 0.3574 0.040 Uiso 1 1 calc R U C19 C 0.2910(5) 0.1933(4) 0.4175(4) 0.0312(9) Uani 1 1 d . . H19 H 0.2394 0.1628 0.4976 0.037 Uiso 1 1 calc R U C20 C 0.4630(4) 0.1768(4) 0.3841(3) 0.0209(7) Uani 1 1 d . . H20 H 0.5284 0.1351 0.4417 0.025 Uiso 1 1 calc R U 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 0.01637(14) 0.01672(13) 0.01019(13) 0.00482(8) 0.00029(8) -0.00261(9) O1 0.0229(12) 0.0219(11) 0.0127(10) -0.0002(9) 0.0042(9) -0.0009(10) O2 0.0205(13) 0.0432(15) 0.0147(11) -0.0061(10) -0.0046(9) 0.0029(11) N1 0.0170(13) 0.0136(12) 0.0097(11) 0.0017(9) 0.0002(10) -0.0037(10) N2 0.0163(13) 0.0178(13) 0.0093(11) 0.0032(9) -0.0024(10) -0.0032(10) C1 0.0188(15) 0.0103(13) 0.0077(12) 0.0016(10) -0.0014(11) -0.0046(11) C2 0.0157(15) 0.0117(13) 0.0093(13) 0.0012(10) -0.0022(11) -0.0032(11) C3 0.0106(14) 0.0143(14) 0.0134(14) 0.0015(11) -0.0016(11) -0.0039(11) C4 0.0141(14) 0.0122(13) 0.0091(13) 0.0021(10) -0.0032(11) -0.0053(11) C5 0.0205(16) 0.0123(14) 0.0156(14) 0.0028(11) -0.0009(12) -0.0030(12) C6 0.0170(15) 0.0155(14) 0.0151(14) -0.0010(11) 0.0020(12) -0.0007(12) C7 0.0178(15) 0.0111(13) 0.0150(14) 0.0013(11) -0.0022(12) -0.0051(12) C8 0.0129(14) 0.0123(13) 0.0101(13) -0.0019(11) 0.0017(11) -0.0031(11) C9 0.0130(14) 0.0138(13) 0.0111(13) 0.0036(11) -0.0017(11) -0.0062(11) C10 0.0182(15) 0.0143(14) 0.0108(13) -0.0011(11) -0.0032(11) -0.0044(12) C11 0.0178(15) 0.0178(14) 0.0096(13) -0.0009(11) -0.0035(11) -0.0038(12) C12 0.0152(15) 0.0183(15) 0.0118(14) 0.0022(11) -0.0004(11) -0.0020(12) C13 0.0160(15) 0.0192(15) 0.0086(13) 0.0013(11) 0.0000(11) -0.0019(12) C14 0.0182(15) 0.0132(14) 0.0120(14) -0.0037(11) -0.0027(11) -0.0028(12) C15 0.0171(16) 0.0144(14) 0.0168(15) -0.0068(12) -0.0029(12) -0.0025(12) C16 0.0221(17) 0.0198(16) 0.0251(17) -0.0051(13) -0.0074(14) -0.0010(13) C17 0.0214(18) 0.0265(18) 0.043(2) -0.0138(16) -0.0162(16) 0.0024(15) C18 0.0176(18) 0.034(2) 0.050(2) -0.0201(18) -0.0017(17) -0.0057(16) C19 0.027(2) 0.038(2) 0.0286(19) -0.0108(16) 0.0052(16) -0.0133(17) C20 0.0191(17) 0.0269(17) 0.0184(15) -0.0054(13) -0.0023(13) -0.0085(14) 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' 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 N2 Ag1 N1 132.89(10) 2_855 . N2 Ag1 O1 130.38(9) 2_855 . N1 Ag1 O1 96.63(9) . . N2 Ag1 Ag1 96.76(7) 2_855 2_755 N1 Ag1 Ag1 75.76(7) . 2_755 O1 Ag1 Ag1 92.04(6) . 2_755 C14 O1 Ag1 102.1(2) . . C7 N1 C6 117.2(2) . . C7 N1 Ag1 120.82(19) . . C6 N1 Ag1 121.9(2) . . C11 N2 C12 117.8(3) . . C11 N2 Ag1 121.25(19) . 2_855 C12 N2 Ag1 118.8(2) . 2_855 C3 C1 C2 119.0(3) 2_864 . C3 C1 C4 118.8(3) 2_864 . C2 C1 C4 122.2(3) . . C3 C2 C1 118.9(3) . . C3 C2 C9 118.6(3) . . C1 C2 C9 122.4(2) . . C1 C3 C2 122.1(3) 2_864 . C1 C3 H3 118.9 2_864 . C2 C3 H3 118.9 . . C5 C4 C8 117.2(3) . . C5 C4 C1 121.1(3) . . C8 C4 C1 121.7(3) . . C6 C5 C4 119.4(3) . . C6 C5 H5 120.3 . . C4 C5 H5 120.3 . . N1 C6 C5 123.3(3) . . N1 C6 H6 118.3 . . C5 C6 H6 118.3 . . N1 C7 C8 123.3(3) . . N1 C7 H7 118.3 . . C8 C7 H7 118.3 . . C7 C8 C4 119.4(3) . . C7 C8 H8 120.3 . . C4 C8 H8 120.3 . . C13 C9 C10 118.1(3) . . C13 C9 C2 120.2(3) . . C10 C9 C2 121.6(3) . . C11 C10 C9 119.0(3) . . C11 C10 H10 120.5 . . C9 C10 H10 120.5 . . N2 C11 C10 122.8(3) . . N2 C11 H11 118.6 . . C10 C11 H11 118.6 . . N2 C12 C13 122.7(3) . . N2 C12 H12 118.6 . . C13 C12 H12 118.6 . . C12 C13 C9 119.3(3) . . C12 C13 H13 120.4 . . C9 C13 H13 120.4 . . O2 C14 O1 124.6(3) . . O2 C14 C15 118.5(3) . . O1 C14 C15 116.9(3) . . C16 C15 C20 119.4(3) . . C16 C15 C14 120.9(3) . . C20 C15 C14 119.7(3) . . C15 C16 C17 120.3(3) . . C15 C16 H16 119.9 . . C17 C16 H16 119.9 . . C18 C17 C16 119.7(4) . . C18 C17 H17 120.1 . . C16 C17 H17 120.1 . . C19 C18 C17 120.1(4) . . C19 C18 H18 119.9 . . C17 C18 H18 119.9 . . C18 C19 C20 120.0(4) . . C18 C19 H19 120.0 . . C20 C19 H19 120.0 . . C15 C20 C19 120.5(3) . . C15 C20 H20 119.8 . . C19 C20 H20 119.8 . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Ag1 N2 2.201(3) 2_855 Ag1 N1 2.247(2) . Ag1 O1 2.344(2) . Ag1 Ag1 3.1339(5) 2_755 O1 C14 1.267(4) . O2 C14 1.247(4) . N1 C7 1.339(4) . N1 C6 1.345(4) . N2 C11 1.343(4) . N2 C12 1.347(4) . N2 Ag1 2.200(3) 2_855 C1 C3 1.389(4) 2_864 C1 C2 1.412(4) . C1 C4 1.487(4) . C2 C3 1.392(4) . C2 C9 1.491(4) . C3 C1 1.389(4) 2_864 C3 H3 0.9500 . C4 C5 1.396(4) . C4 C8 1.399(4) . C5 C6 1.381(4) . C5 H5 0.9500 . C6 H6 0.9500 . C7 C8 1.383(4) . C7 H7 0.9500 . C8 H8 0.9500 . C9 C13 1.390(4) . C9 C10 1.395(4) . C10 C11 1.388(4) . C10 H10 0.9500 . C11 H11 0.9500 . C12 C13 1.386(4) . C12 H12 0.9500 . C13 H13 0.9500 . C14 C15 1.516(5) . C15 C16 1.388(5) . C15 C20 1.390(4) . C16 C17 1.396(5) . C16 H16 0.9500 . C17 C18 1.393(6) . C17 H17 0.9500 . C18 C19 1.378(6) . C18 H18 0.9500 . C19 C20 1.391(5) . C19 H19 0.9500 . C20 H20 0.9500 . 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_4 C3 C1 C2 C3 -0.6(5) 2_864 . C4 C1 C2 C3 176.1(3) . . C3 C1 C2 C9 179.2(3) 2_864 . C4 C1 C2 C9 -4.1(4) . . C1 C2 C3 C1 0.6(5) . 2_864 C9 C2 C3 C1 -179.2(3) . 2_864 C3 C1 C4 C5 -46.4(4) 2_864 . C2 C1 C4 C5 136.9(3) . . C3 C1 C4 C8 132.9(3) 2_864 . C2 C1 C4 C8 -43.8(4) . . C8 C4 C5 C6 2.3(5) . . C1 C4 C5 C6 -178.4(3) . . C7 N1 C6 C5 -2.9(5) . . Ag1 N1 C6 C5 178.2(2) . . C4 C5 C6 N1 1.1(5) . . C6 N1 C7 C8 1.2(5) . . Ag1 N1 C7 C8 -179.8(2) . . N1 C7 C8 C4 2.2(5) . . C5 C4 C8 C7 -3.8(4) . . C1 C4 C8 C7 176.9(3) . . C3 C2 C9 C13 -53.5(4) . . C1 C2 C9 C13 126.6(3) . . C3 C2 C9 C10 129.5(3) . . C1 C2 C9 C10 -50.4(4) . . C13 C9 C10 C11 -4.1(4) . . C2 C9 C10 C11 173.0(3) . . C12 N2 C11 C10 2.5(4) . . Ag1 N2 C11 C10 -160.6(2) 2_855 . C9 C10 C11 N2 1.4(5) . . C11 N2 C12 C13 -3.6(4) . . Ag1 N2 C12 C13 159.9(2) 2_855 . N2 C12 C13 C9 0.8(5) . . C10 C9 C13 C12 3.1(4) . . C2 C9 C13 C12 -174.0(3) . . Ag1 O1 C14 O2 21.6(4) . . Ag1 O1 C14 C15 -155.7(2) . . O2 C14 C15 C16 175.8(3) . . O1 C14 C15 C16 -6.7(4) . . O2 C14 C15 C20 -5.7(4) . . O1 C14 C15 C20 171.8(3) . . C20 C15 C16 C17 0.6(5) . . C14 C15 C16 C17 179.1(3) . . C15 C16 C17 C18 -0.7(5) . . C16 C17 C18 C19 0.3(6) . . C17 C18 C19 C20 0.1(6) . . C16 C15 C20 C19 -0.2(5) . . C14 C15 C20 C19 -178.8(3) . . C18 C19 C20 C15 -0.1(6) . .