#------------------------------------------------------------------------------ #$Date: 2023-12-06 16:43:51 +0200 (Wed, 06 Dec 2023) $ #$Revision: 288084 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/76/7247620.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_7247620 loop_ _publ_author_name 'Baig, K. Mohamed Yusuf' 'Kole, Goutam Kumar' _publ_section_title ; Silver(i) coordination polymers of trans-5-styrylpyrimidine -- from structural diversity to solid-state reactivity under sunlight ; _journal_issue 44 _journal_name_full CrystEngComm _journal_page_first 6204 _journal_page_last 6214 _journal_paper_doi 10.1039/D3CE00756A _journal_volume 25 _journal_year 2023 _chemical_formula_sum 'C14 H10 Ag F3 N2 O2' _chemical_formula_weight 403.11 _space_group_crystal_system monoclinic _space_group_IT_number 15 _space_group_name_Hall '-C 2yc' _space_group_name_H-M_alt 'C 1 2/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary difmap _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2023-06-23 deposited with the CCDC. 2023-10-09 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 110.695(16) _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 36.304(10) _cell_length_b 5.3887(9) _cell_length_c 15.575(4) _cell_measurement_reflns_used 9985 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 27.13 _cell_measurement_theta_min 2.62 _cell_volume 2850.4(12) _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0341 _diffrn_reflns_av_unetI/netI 0.0266 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_limit_h_max 44 _diffrn_reflns_limit_h_min -44 _diffrn_reflns_limit_k_max 6 _diffrn_reflns_limit_k_min -6 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 17957 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.371 _diffrn_reflns_theta_min 2.624 _exptl_absorpt_coefficient_mu 1.455 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_correction_T_min 0.6294 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SadAbs 2016/2 (Bruker AXS)' _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.879 _exptl_crystal_description block _exptl_crystal_F_000 1584 _exptl_crystal_size_max 0.180 _exptl_crystal_size_mid 0.150 _exptl_crystal_size_min 0.120 _refine_diff_density_max 0.452 _refine_diff_density_min -0.800 _refine_diff_density_rms 0.071 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.056 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 247 _refine_ls_number_reflns 2911 _refine_ls_number_restraints 120 _refine_ls_restrained_S_all 1.174 _refine_ls_R_factor_all 0.0292 _refine_ls_R_factor_gt 0.0262 _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^)+(0.0309P)^2^+3.3525P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0661 _refine_ls_wR_factor_ref 0.0686 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2670 _reflns_number_total 2911 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d3ce00756a2.cif _cod_data_source_block YB84O_0m_a _cod_depositor_comments 'Adding full bibliography for 7247616--7247621.cif.' _cod_original_sg_symbol_H-M 'C 2/c' _cod_database_code 7247620 _shelx_shelxl_version_number 2018/3 _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 0.780 _shelx_estimated_absorpt_t_max 0.845 _shelx_res_file ; TITL YB84O_0m_a.res in C2/c YB84O_0m_a.res created by SHELXL-2018/3 at 22:04:04 on 30-Mar-2023 REM Old TITL Integration of YB84O REM SHELXT solution in C2/c: R1 0.189, Rweak 0.009, Alpha 0.042 REM 0.600 for 324 systematic absences, Orientation as input REM Formula found by SHELXT: C15 Ag F3 N2 O CELL 0.71073 36.3044 5.3887 15.5751 90.000 110.695 90.000 ZERR 8.000 0.0101 0.0009 0.0040 0.000 0.016 0.000 LATT 7 SYMM -X, Y, 1/2-Z SFAC C H AG F N O UNIT 112 80 8 24 16 16 SIZE 0.120 0.150 0.180 TEMP 20.0 ACTA SHEL 999. 0.8 L.S. 10 BOND LIST 4 FMAP 2 PLAN 20 WGHT 0.030900 3.352500 FVAR 0.25177 0.64088 AG1 3 0.500000 0.088231 0.750000 10.50000 0.03165 0.06016 = 0.07472 0.00000 0.00343 0.00000 N1 5 0.466318 0.350479 0.625434 11.00000 0.03620 0.04721 = 0.05669 0.00446 0.00901 -0.00376 C1 1 0.483698 0.539523 0.600487 11.00000 0.03449 0.05176 = 0.05604 -0.00203 0.01087 -0.00632 AFIX 43 H1 2 0.510637 0.558748 0.631081 11.00000 -1.20000 AFIX 0 C3 1 0.405591 0.487003 0.513238 11.00000 0.03855 0.04451 = 0.03991 -0.00150 0.01328 -0.00576 AG2 3 0.500000 1.000000 0.500000 10.50000 0.04249 0.05377 = 0.07838 0.00707 0.02390 -0.01230 SIMU 0.005 F1 F2 F3 F1a F2a F3a ISOR 0.005 F1 F2 F3 F1a F2a F3a SADI 0.005 C14 F1 C14 F2 C14 F3 C14 F1a C14 F2a C14 F3a SADI 0.005 F1 F2 F2 F3 F3 F1 F1a F2a F2a F3a F3a F1a SIMU 0.005 O1 O2 O1a O2a SADI 0.005 C13 O1 C13 O2 C13 O1a C13 O2a part 1 21.0 F1 4 0.364914 -0.217888 0.650776 21.00000 0.06231 0.15851 = 0.06184 -0.01029 0.00250 -0.04021 F2 4 0.361716 -0.099730 0.779242 21.00000 0.05301 0.17763 = 0.11112 0.03990 0.04829 0.01017 F3 4 0.381704 -0.464712 0.765186 21.00000 0.11550 0.12772 = 0.12201 0.02856 0.02659 -0.05924 O1 6 0.443402 -0.113829 0.724958 21.00000 0.04328 0.06963 = 0.07177 0.00058 0.01939 -0.02716 O2 6 0.436415 -0.126997 0.863398 21.00000 0.04697 0.09339 = 0.06301 -0.02322 0.00951 -0.00568 part 0 part 2 -21.0 F1A 4 0.365149 -0.110958 0.661180 -21.00000 0.05283 0.14487 = 0.06516 0.03147 -0.01142 -0.01741 F2A 4 0.359255 -0.207426 0.788202 -21.00000 0.07068 0.16563 = 0.09355 0.03976 0.05253 -0.02252 F3A 4 0.382294 -0.471100 0.718666 -21.00000 0.09511 0.11801 = 0.11984 0.00570 0.02407 -0.05691 O1A 6 0.439305 -0.161946 0.717125 -21.00000 0.04006 0.05748 = 0.06921 -0.01508 0.02160 -0.02145 O2A 6 0.440266 -0.022720 0.851324 -21.00000 0.05945 0.10525 = 0.07997 -0.05453 0.00807 0.00286 part 0 N2 5 0.465906 0.702906 0.535738 11.00000 0.04185 0.05004 = 0.05010 0.00166 0.01553 -0.00937 C2 1 0.427431 0.325907 0.581850 11.00000 0.03755 0.04460 = 0.05298 0.00544 0.01129 -0.00576 AFIX 43 H2 2 0.414521 0.195331 0.598270 11.00000 -1.20000 AFIX 0 C4 1 0.427050 0.675794 0.492518 11.00000 0.04032 0.05130 = 0.04439 0.00456 0.01267 -0.00752 AFIX 43 H4 2 0.413894 0.788335 0.446661 11.00000 -1.20000 AFIX 0 C5 1 0.363257 0.465516 0.464765 11.00000 0.03700 0.05068 = 0.04095 0.00673 0.00832 -0.00521 AFIX 43 H5 2 0.351220 0.590281 0.423021 11.00000 -1.20000 AFIX 0 C6 1 0.340488 0.285932 0.474595 11.00000 0.04140 0.04782 = 0.04053 0.00498 0.00997 -0.00317 AFIX 43 H6 2 0.352717 0.163168 0.517076 11.00000 -1.20000 AFIX 0 C7 1 0.298102 0.257910 0.426162 11.00000 0.03855 0.04436 = 0.03788 -0.00372 0.01402 -0.00752 C9 1 0.238769 0.024138 0.402960 11.00000 0.05497 0.05450 = 0.06843 -0.00703 0.02825 -0.02095 AFIX 43 H9 2 0.226264 -0.112566 0.416841 11.00000 -1.20000 AFIX 0 C8 1 0.278987 0.053015 0.445340 11.00000 0.05133 0.04729 = 0.05518 0.00432 0.01892 -0.00851 AFIX 43 H8 2 0.293410 -0.065634 0.487072 11.00000 -1.20000 AFIX 0 C10 1 0.217231 0.196451 0.340482 11.00000 0.03941 0.06752 = 0.06034 -0.01683 0.01614 -0.01277 AFIX 43 H10 2 0.190172 0.176582 0.312135 11.00000 -1.20000 AFIX 0 C11 1 0.235640 0.398021 0.319867 11.00000 0.04250 0.05884 = 0.05365 -0.00112 0.00654 -0.00265 AFIX 43 H11 2 0.221066 0.514396 0.277296 11.00000 -1.20000 AFIX 0 C12 1 0.275880 0.428439 0.362346 11.00000 0.04310 0.04586 = 0.04747 0.00310 0.01243 -0.00962 AFIX 43 H12 2 0.288157 0.565289 0.347821 11.00000 -1.20000 AFIX 0 C13 1 0.425282 -0.136790 0.778279 11.00000 0.03533 0.05480 = 0.05661 -0.00507 0.00821 0.00450 C14 1 0.383162 -0.229402 0.740735 11.00000 0.04329 0.11760 = 0.05902 0.01219 0.01657 -0.01314 HKLF 4 REM YB84O_0m_a.res in C2/c REM wR2 = 0.068560, GooF = S = 1.05643, Restrained GooF = 1.17436 for all data REM R1 = 0.026182 for 2670 Fo > 4sig(Fo) and 0.029209 for all 2911 data REM 247 parameters refined using 120 restraints END WGHT 0.0309 3.3535 REM Highest difference peak 0.452, deepest hole -0.800, 1-sigma level 0.071 Q1 1 0.4866 0.1610 0.7689 11.00000 0.05 0.45 Q2 1 0.3733 -0.3846 0.6643 11.00000 0.05 0.35 Q3 1 0.3180 0.2790 0.4415 11.00000 0.05 0.26 Q4 1 0.3680 0.0359 0.7530 11.00000 0.05 0.26 Q5 1 0.4689 -0.0492 0.7524 11.00000 0.05 0.25 Q6 1 0.4056 -0.1742 0.7575 11.00000 0.05 0.23 Q7 1 0.3691 -0.3570 0.7546 11.00000 0.05 0.22 Q8 1 0.4458 0.0143 0.7581 11.00000 0.05 0.21 Q9 1 0.4125 0.5976 0.5078 11.00000 0.05 0.21 Q10 1 0.3683 -0.0348 0.8220 11.00000 0.05 0.21 Q11 1 0.2578 0.0606 0.4166 11.00000 0.05 0.20 Q12 1 0.4752 0.4083 0.5990 11.00000 0.05 0.20 Q13 1 0.4706 0.6773 0.5846 11.00000 0.05 0.19 Q14 1 0.4028 -0.4256 0.8071 11.00000 0.05 0.19 Q15 1 0.4056 -0.0835 0.8767 11.00000 0.05 0.19 Q16 1 0.4527 0.1118 0.8517 11.00000 0.05 0.18 Q17 1 0.4032 -0.1088 0.6192 11.00000 0.05 0.18 Q18 1 0.4033 -0.2141 0.8867 11.00000 0.05 0.18 Q19 1 0.4062 0.2671 0.6232 11.00000 0.05 0.18 Q20 1 0.4762 0.5680 0.5456 11.00000 0.05 0.18 ; _shelx_res_checksum 46343 loop_ _space_group_symop_operation_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_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 0.500000 0.08823(6) 0.750000 0.05964(11) Uani 1 2 d S T P . . N1 N 0.46632(5) 0.3505(4) 0.62543(13) 0.0487(4) Uani 1 1 d . . . . . C1 C 0.48370(6) 0.5395(5) 0.60049(16) 0.0488(5) Uani 1 1 d . . . . . H1 H 0.510637 0.558748 0.631081 0.059 Uiso 1 1 calc R U . . . C3 C 0.40559(6) 0.4870(4) 0.51324(14) 0.0411(5) Uani 1 1 d . . . . . Ag2 Ag 0.500000 1.000000 0.500000 0.05753(11) Uani 1 2 d S . P . . F1 F 0.36491(17) -0.2179(15) 0.65078(19) 0.0994(15) Uani 0.641(13) 1 d D U P A 1 F2 F 0.36172(14) -0.0997(14) 0.7792(4) 0.1087(16) Uani 0.641(13) 1 d D U P A 1 F3 F 0.38170(16) -0.4647(8) 0.7652(6) 0.1259(19) Uani 0.641(13) 1 d D U P A 1 O1 O 0.4434(5) -0.114(3) 0.7250(9) 0.062(2) Uani 0.641(13) 1 d D U P A 1 O2 O 0.4364(2) -0.1270(15) 0.8634(2) 0.0705(16) Uani 0.641(13) 1 d D U P A 1 F1A F 0.3651(3) -0.111(2) 0.6612(5) 0.096(2) Uani 0.359(13) 1 d D U P A 2 F2A F 0.3593(3) -0.207(2) 0.7882(6) 0.104(2) Uani 0.359(13) 1 d D U P A 2 F3A F 0.3823(3) -0.4711(10) 0.7187(9) 0.115(3) Uani 0.359(13) 1 d D U P A 2 O1A O 0.4393(8) -0.162(5) 0.7171(16) 0.055(3) Uani 0.359(13) 1 d D U P A 2 O2A O 0.4403(4) -0.023(3) 0.8513(6) 0.086(3) Uani 0.359(13) 1 d D U P A 2 N2 N 0.46591(5) 0.7029(4) 0.53574(13) 0.0475(4) Uani 1 1 d . . . . . C2 C 0.42743(6) 0.3259(4) 0.58185(15) 0.0463(5) Uani 1 1 d . . . . . H2 H 0.414521 0.195331 0.598270 0.056 Uiso 1 1 calc R U . . . C4 C 0.42705(6) 0.6758(5) 0.49252(15) 0.0460(5) Uani 1 1 d . . . . . H4 H 0.413894 0.788335 0.446661 0.055 Uiso 1 1 calc R U . . . C5 C 0.36326(6) 0.4655(4) 0.46477(15) 0.0443(5) Uani 1 1 d . . . . . H5 H 0.351220 0.590281 0.423021 0.053 Uiso 1 1 calc R U . . . C6 C 0.34049(6) 0.2859(4) 0.47459(14) 0.0445(5) Uani 1 1 d . . . . . H6 H 0.352717 0.163168 0.517076 0.053 Uiso 1 1 calc R U . . . C7 C 0.29810(6) 0.2579(4) 0.42616(13) 0.0401(4) Uani 1 1 d . . . . . C9 C 0.23877(8) 0.0241(5) 0.40296(19) 0.0576(6) Uani 1 1 d . . . . . H9 H 0.226264 -0.112566 0.416841 0.069 Uiso 1 1 calc R U . . . C8 C 0.27899(7) 0.0530(5) 0.44534(17) 0.0512(5) Uani 1 1 d . . . . . H8 H 0.293410 -0.065634 0.487072 0.061 Uiso 1 1 calc R U . . . C10 C 0.21723(7) 0.1965(5) 0.34048(17) 0.0562(6) Uani 1 1 d . . . . . H10 H 0.190172 0.176582 0.312135 0.067 Uiso 1 1 calc R U . . . C11 C 0.23564(7) 0.3980(5) 0.31987(17) 0.0545(6) Uani 1 1 d . . . . . H11 H 0.221066 0.514396 0.277296 0.065 Uiso 1 1 calc R U . . . C12 C 0.27588(7) 0.4284(4) 0.36235(15) 0.0464(5) Uani 1 1 d . . . . . H12 H 0.288157 0.565289 0.347821 0.056 Uiso 1 1 calc R U . . . C13 C 0.42528(6) -0.1368(5) 0.77828(14) 0.0511(6) Uani 1 1 d D . . . . C14 C 0.38316(7) -0.2294(5) 0.74074(15) 0.0737(9) Uani 1 1 d 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 0.03165(13) 0.06016(19) 0.07472(19) 0.000 0.00343(11) 0.000 N1 0.0362(9) 0.0472(11) 0.0567(11) 0.0045(9) 0.0090(8) -0.0038(8) C1 0.0345(11) 0.0518(13) 0.0560(13) -0.0020(11) 0.0109(9) -0.0063(9) C3 0.0386(11) 0.0445(12) 0.0399(10) -0.0015(9) 0.0133(9) -0.0058(9) Ag2 0.04249(15) 0.05377(18) 0.0784(2) 0.00707(13) 0.02390(13) -0.01230(11) F1 0.0623(19) 0.159(4) 0.0618(18) -0.010(2) 0.0025(15) -0.040(3) F2 0.0530(18) 0.178(4) 0.111(3) 0.040(3) 0.0483(17) 0.010(3) F3 0.116(3) 0.128(3) 0.122(4) 0.029(3) 0.027(3) -0.059(2) O1 0.043(3) 0.070(6) 0.072(3) 0.001(3) 0.019(3) -0.027(3) O2 0.047(2) 0.093(5) 0.063(2) -0.0232(19) 0.0095(15) -0.006(3) F1A 0.053(3) 0.145(5) 0.065(3) 0.031(3) -0.011(3) -0.017(4) F2A 0.071(3) 0.166(5) 0.094(3) 0.040(4) 0.053(3) -0.023(4) F3A 0.095(4) 0.118(4) 0.120(5) 0.006(4) 0.024(4) -0.057(3) O1A 0.040(5) 0.057(7) 0.069(3) -0.015(3) 0.022(4) -0.021(4) O2A 0.059(5) 0.105(8) 0.080(4) -0.055(5) 0.008(4) 0.003(6) N2 0.0419(9) 0.0500(11) 0.0501(10) 0.0017(9) 0.0155(8) -0.0094(8) C2 0.0375(10) 0.0446(12) 0.0530(12) 0.0054(10) 0.0113(9) -0.0058(9) C4 0.0403(11) 0.0513(13) 0.0444(11) 0.0046(10) 0.0127(9) -0.0075(10) C5 0.0370(11) 0.0507(13) 0.0410(11) 0.0067(9) 0.0083(9) -0.0052(9) C6 0.0414(11) 0.0478(12) 0.0405(10) 0.0050(9) 0.0100(8) -0.0032(9) C7 0.0385(10) 0.0444(11) 0.0379(10) -0.0037(9) 0.0140(8) -0.0075(9) C9 0.0550(15) 0.0545(15) 0.0684(15) -0.0070(12) 0.0283(13) -0.0210(12) C8 0.0513(13) 0.0473(13) 0.0552(13) 0.0043(11) 0.0189(11) -0.0085(10) C10 0.0394(11) 0.0675(16) 0.0603(14) -0.0168(13) 0.0161(10) -0.0128(11) C11 0.0425(12) 0.0588(15) 0.0537(13) -0.0011(11) 0.0065(10) -0.0026(11) C12 0.0431(12) 0.0459(12) 0.0475(12) 0.0031(10) 0.0124(9) -0.0096(9) C13 0.0353(11) 0.0548(14) 0.0566(14) -0.0051(11) 0.0082(10) 0.0045(10) C14 0.0433(13) 0.118(3) 0.0590(15) 0.0122(17) 0.0166(12) -0.0131(16) 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' F F 0.0171 0.0103 '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 O1 Ag1 O1 121.7(9) . 2_656 ? O1 Ag1 N1 88.3(5) . . ? O1 Ag1 N1 127.74(19) 2_656 . ? O1 Ag1 N1 127.74(19) . 2_656 ? O1 Ag1 N1 88.3(5) 2_656 2_656 ? N1 Ag1 N1 106.51(10) . 2_656 ? O1 Ag1 O1A 117.8(3) . 2_656 ? O1 Ag1 O1A 4.4(8) 2_656 2_656 ? N1 Ag1 O1A 131.3(3) . 2_656 ? N1 Ag1 O1A 89.5(8) 2_656 2_656 ? N1 Ag1 O1A 89.5(8) . . ? N1 Ag1 O1A 131.3(3) 2_656 . ? O1A Ag1 O1A 114.1(15) 2_656 . ? C1 N1 C2 116.9(2) . . ? C1 N1 Ag1 122.56(15) . . ? C2 N1 Ag1 120.27(15) . . ? N2 C1 N1 125.4(2) . . ? C4 C3 C2 115.0(2) . . ? C4 C3 C5 120.9(2) . . ? C2 C3 C5 124.1(2) . . ? N2 Ag2 N2 180.0 . 5_676 ? N2 Ag2 O2A 96.2(3) . 2_666 ? N2 Ag2 O2A 83.8(3) 5_676 2_666 ? N2 Ag2 O2A 83.8(3) . 6_565 ? N2 Ag2 O2A 96.2(3) 5_676 6_565 ? C13 O1 Ag1 127.4(8) . . ? C13 O1A Ag1 111.1(13) . . ? C13 O2A Ag2 144.4(10) . 2_646 ? C1 N2 C4 117.0(2) . . ? C1 N2 Ag2 120.52(15) . . ? C4 N2 Ag2 122.43(16) . . ? N1 C2 C3 122.8(2) . . ? N2 C4 C3 122.8(2) . . ? C6 C5 C3 126.1(2) . . ? C5 C6 C7 127.3(2) . . ? C12 C7 C8 118.2(2) . . ? C12 C7 C6 122.8(2) . . ? C8 C7 C6 119.0(2) . . ? C10 C9 C8 120.2(2) . . ? C9 C8 C7 120.6(2) . . ? C11 C10 C9 119.9(2) . . ? C10 C11 C12 120.1(2) . . ? C11 C12 C7 120.9(2) . . ? O1A C13 O2A 126.6(14) . . ? O1 C13 O2 131.6(8) . . ? O1 C13 C14 118.6(7) . . ? O1A C13 C14 107.5(12) . . ? O2A C13 C14 125.0(8) . . ? O2 C13 C14 109.2(4) . . ? F1 C14 F3 107.0(3) . . ? F1 C14 F2 107.3(3) . . ? F3 C14 F2 106.4(3) . . ? F2A C14 F1A 105.7(3) . . ? F2A C14 F3A 105.5(3) . . ? F1A C14 F3A 105.4(3) . . ? F1 C14 C13 116.9(3) . . ? F2A C14 C13 121.6(5) . . ? F3 C14 C13 109.9(3) . . ? F2 C14 C13 108.9(3) . . ? F1A C14 C13 107.2(5) . . ? F3A C14 C13 110.3(4) . . ? 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 O1 2.235(12) . ? Ag1 O1 2.235(12) 2_656 ? Ag1 N1 2.362(2) . ? Ag1 N1 2.362(2) 2_656 ? Ag1 O1A 2.48(2) 2_656 ? Ag1 O1A 2.48(2) . ? N1 C1 1.327(3) . ? N1 C2 1.339(3) . ? C1 N2 1.322(3) . ? C3 C4 1.387(3) . ? C3 C2 1.388(3) . ? C3 C5 1.458(3) . ? Ag2 N2 2.2118(19) . ? Ag2 N2 2.2118(19) 5_676 ? Ag2 O2A 2.556(10) 2_666 ? Ag2 O2A 2.556(10) 6_565 ? F1 C14 1.323(3) . ? F2 C14 1.336(3) . ? F3 C14 1.330(3) . ? O1 C13 1.234(4) . ? O2 C13 1.243(3) . ? F1A C14 1.341(4) . ? F2A C14 1.329(4) . ? F3A C14 1.345(4) . ? O1A C13 1.236(4) . ? O2A C13 1.237(4) . ? N2 C4 1.339(3) . ? C5 C6 1.316(3) . ? C6 C7 1.463(3) . ? C7 C12 1.384(3) . ? C7 C8 1.392(3) . ? C9 C10 1.372(4) . ? C9 C8 1.382(4) . ? C10 C11 1.372(4) . ? C11 C12 1.384(3) . ? C13 C14 1.516(4) . ?