#------------------------------------------------------------------------------ #$Date: 2023-12-06 16:43:51 +0200 (Wed, 06 Dec 2023) $ #$Revision: 288084 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/76/7247619.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_7247619 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 'C12 H10 Ag F6 N2 Sb' _chemical_formula_weight 525.84 _space_group_crystal_system orthorhombic _space_group_IT_number 62 _space_group_name_Hall '-P 2ac 2n' _space_group_name_H-M_alt 'P n m a' _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 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 12.102(4) _cell_length_b 6.6333(11) _cell_length_c 17.915(4) _cell_measurement_reflns_used 9951 _cell_measurement_temperature 295(2) _cell_measurement_theta_max 27.09 _cell_measurement_theta_min 2.83 _cell_volume 1438.1(6) _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 295(2) _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _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 0.0471 _diffrn_reflns_av_unetI/netI 0.0196 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 23119 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.370 _diffrn_reflns_theta_min 2.031 _exptl_absorpt_coefficient_mu 3.302 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_correction_T_min 0.5219 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SadAbs 2016/2 (Bruker AXS)' _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 2.429 _exptl_crystal_description needle _exptl_crystal_F_000 992 _exptl_crystal_size_max 0.240 _exptl_crystal_size_mid 0.083 _exptl_crystal_size_min 0.072 _refine_diff_density_max 0.378 _refine_diff_density_min -0.685 _refine_diff_density_rms 0.142 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.123 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 185 _refine_ls_number_reflns 1603 _refine_ls_number_restraints 197 _refine_ls_restrained_S_all 1.480 _refine_ls_R_factor_all 0.0226 _refine_ls_R_factor_gt 0.0197 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0227P)^2^+1.2140P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0502 _refine_ls_wR_factor_ref 0.0509 _reflns_Friedel_coverage 0.000 _reflns_number_gt 1499 _reflns_number_total 1603 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d3ce00756a2.cif _cod_data_source_block YB-84 _cod_depositor_comments 'Adding full bibliography for 7247616--7247621.cif.' _cod_database_code 7247619 _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 0.505 _shelx_estimated_absorpt_t_max 0.797 _shelx_res_file ; TITL YB-84_a.res in Pnma YB-84.res created by SHELXL-2018/3 at 08:15:37 on 31-Dec-2022 CELL 0.71073 12.1015 6.6333 17.9148 90.000 90.000 90.000 ZERR 4.000 0.0038 0.0011 0.0036 0.000 0.000 0.000 LATT 1 SYMM 1/2-X, -Y, 1/2+Z SYMM -X, 1/2+Y, -Z SYMM 1/2+X, 1/2-Y, 1/2-Z SFAC C H AG F N SB UNIT 48 40 4 24 8 4 TEMP 22.0 ACTA SHEL 999. 0.8 SIZE 0.072 0.083 0.24 L.S. 10 BOND LIST 4 FMAP 2 PLAN 20 WGHT 0.022700 1.214000 FVAR 0.20219 0.50963 SB1 6 0.149991 0.250000 0.549602 10.50000 0.02764 0.05821 = 0.02831 0.00000 0.00141 0.00000 C1 1 0.631015 0.250000 0.718829 10.50000 0.02909 0.06046 = 0.02382 0.00000 -0.00040 0.00000 AFIX 43 H1 2 0.634735 0.250000 0.770681 10.50000 -1.20000 AFIX 0 N1 5 0.530675 0.250000 0.687672 10.50000 0.02438 0.04566 = 0.02578 0.00000 0.00113 0.00000 AG1 3 0.383036 0.250000 0.757572 10.50000 0.02856 0.10222 = 0.03727 0.00000 0.01302 0.00000 C3 1 0.620041 0.250000 0.568892 10.50000 0.02356 0.03823 = 0.02334 0.00000 -0.00206 0.00000 N2 5 0.725761 0.250000 0.681526 10.50000 0.02360 0.05960 = 0.02712 0.00000 -0.00339 0.00000 C2 1 0.719746 0.250000 0.606806 10.50000 0.02186 0.05286 = 0.02747 0.00000 0.00121 0.00000 AFIX 43 H2 2 0.785012 0.250000 0.579397 10.50000 -1.20000 AFIX 0 C4 1 0.525732 0.250000 0.613314 10.50000 0.02112 0.03839 = 0.02685 0.00000 -0.00064 0.00000 AFIX 43 H4 2 0.456820 0.250000 0.590337 10.50000 -1.20000 AFIX 0 C5 1 0.618235 0.250000 0.487251 10.50000 0.02312 0.04734 = 0.02530 0.00000 0.00268 0.00000 AFIX 43 H5 2 0.686134 0.250000 0.462937 10.50000 -1.20000 AFIX 0 C6 1 0.529109 0.250000 0.445095 10.50000 0.02529 0.04423 = 0.02460 0.00000 0.00235 0.00000 AFIX 43 H6 2 0.461325 0.250000 0.469555 10.50000 -1.20000 AFIX 0 C9 1 0.419205 0.250000 0.249485 10.50000 0.03763 0.08184 = 0.03131 0.00000 -0.01372 0.00000 AFIX 43 H9 2 0.350556 0.250000 0.226151 10.50000 -1.20000 AFIX 0 C8 1 0.425605 0.250000 0.326998 10.50000 0.02759 0.05668 = 0.03260 0.00000 -0.00104 0.00000 AFIX 43 H8 2 0.360907 0.250000 0.355014 10.50000 -1.20000 AFIX 0 C7 1 0.526519 0.250000 0.363044 10.50000 0.02856 0.03453 = 0.02368 0.00000 -0.00135 0.00000 C10 1 0.513529 0.250000 0.207491 10.50000 0.05434 0.08040 = 0.02346 0.00000 -0.00448 0.00000 AFIX 43 H10 2 0.509480 0.250000 0.155651 10.50000 -1.20000 AFIX 0 C11 1 0.613694 0.250000 0.242485 10.50000 0.03904 0.09123 = 0.02951 0.00000 0.00810 0.00000 AFIX 43 H11 2 0.677999 0.250000 0.214058 10.50000 -1.20000 AFIX 0 C12 1 0.621203 0.250000 0.319879 10.50000 0.02777 0.07872 = 0.02896 0.00000 -0.00157 0.00000 AFIX 43 H12 2 0.690206 0.250000 0.342731 10.50000 -1.20000 AFIX 0 SIMU 0.04 F1 F2 F3 F4 F5 F1A F2A F3A F4A F5A F5B RIGU 0.004 F1 F2 F3 F4 F5 F1A F2A F3A F4A F5A F5B ISOR 0.005 F1 F2 F3 F4 F5 F1A F2A F3A F4A F5A F5B SADI 0.02 Sb1 F1 Sb1 F2 Sb1 F3 Sb1 F4 Sb1 F5 Sb1 F1A Sb1 F2A = SB1 F3A SB1 F4A SB1 F5A SB1 F5B SADI 0.02 F1 F2 F2 F3 F3 F4 F4 F1 F1A F2A F2A F3A F3A F4A F4A F1A = F1 F5 F2 F5 F3 F5 F4 F5 F1A F5A F2A F5A F3A F5A = F4A F5A F1 F5B F2 F5B F3 F5B F4 F5B part 1 20.5 F1 4 0.280676 0.250000 0.492233 20.50000 0.04283 0.12492 = 0.09014 0.00000 0.04371 0.00000 F2 4 0.250690 0.250000 0.627861 20.50000 0.04564 0.15552 = 0.04728 0.00000 -0.01626 0.00000 F3 4 0.032197 0.186584 0.612262 20.50000 0.08750 0.08551 = 0.08978 -0.00074 0.01464 -0.00130 F4 4 0.078562 0.110662 0.472479 20.50000 0.10829 0.09365 = 0.05640 -0.01636 -0.00728 -0.04471 part 0 part 2 -20.5 F1A 4 0.265729 0.177967 0.487277 -20.50000 0.06995 0.07346 = 0.07515 -0.00240 0.03200 -0.01496 F2A 4 0.236070 0.120474 0.625092 -20.50000 0.06683 0.07118 = 0.05816 0.00089 -0.01034 0.02168 F3A 4 0.027016 0.250000 0.616077 -20.50000 0.02871 0.08782 = 0.06283 0.00000 0.02826 0.00000 F4A 4 0.047130 0.250000 0.471373 -20.50000 0.08780 0.15841 = 0.05454 0.00000 -0.02054 0.00000 part 0 part 3 10.33333 F5 4 0.168805 0.493858 0.599414 10.33333 0.09529 0.07155 = 0.09424 -0.04158 0.02294 -0.02620 part 0 part 4 10.33333 F5A 4 0.140970 0.501829 0.503483 10.33333 0.10769 0.08044 = 0.11667 0.04782 0.00010 -0.01795 part 5 10.33333 F5B 4 0.147840 0.534619 0.552765 10.33333 0.07489 0.07457 = 0.11913 -0.00153 0.01433 -0.01952 part 0 HKLF 4 REM YB-84_a.res in Pnma REM wR2 = 0.050947, GooF = S = 1.12254, Restrained GooF = 1.48026 for all data REM R1 = 0.019698 for 1499 Fo > 4sig(Fo) and 0.022630 for all 1603 data REM 185 parameters refined using 197 restraints END WGHT 0.0227 1.2144 REM Highest difference peak 0.378, deepest hole -0.685, 1-sigma level 0.142 Q1 1 0.2139 0.4802 0.6202 11.00000 0.05 0.38 Q2 1 0.1505 0.5321 0.5800 11.00000 0.05 0.32 Q3 1 0.1494 0.4514 0.4704 11.00000 0.05 0.32 Q4 1 0.0798 -0.0019 0.4768 11.00000 0.05 0.31 Q5 1 0.3025 0.1398 0.5117 11.00000 0.05 0.30 Q6 1 0.4226 0.1743 0.7896 11.00000 0.05 0.30 Q7 1 0.2723 0.1442 0.6067 11.00000 0.05 0.28 Q8 1 0.4042 0.1004 0.7423 11.00000 0.05 0.27 Q9 1 0.3900 0.0574 0.7672 11.00000 0.05 0.27 Q10 1 -0.0053 0.1428 0.5781 11.00000 0.05 0.26 Q11 1 0.0560 0.5015 0.5758 11.00000 0.05 0.26 Q12 1 0.1471 0.5399 0.5236 11.00000 0.05 0.24 Q13 1 0.1551 0.4292 0.5396 11.00000 0.05 0.23 Q14 1 0.5601 0.0226 0.4787 11.00000 0.05 0.23 Q15 1 0.3450 0.0707 0.2254 11.00000 0.05 0.22 Q16 1 0.0621 0.0089 0.4419 11.00000 0.05 0.21 Q17 1 0.2792 -0.0048 0.4286 11.00000 0.05 0.21 Q18 1 0.2996 0.0410 0.6305 11.00000 0.05 0.21 Q19 1 0.3201 -0.0027 0.4898 11.00000 0.05 0.21 Q20 1 0.2437 0.0414 0.4965 11.00000 0.05 0.21 ; _shelx_res_checksum 70123 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z' 'x+1/2, -y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'x, -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 Sb1 Sb 0.14999(2) 0.250000 0.54960(2) 0.03806(10) Uani 1 2 d DS T P . . C1 C 0.6310(3) 0.250000 0.71883(19) 0.0378(8) Uani 1 2 d S T P . . H1 H 0.634735 0.250000 0.770681 0.045 Uiso 1 2 calc R U P . . N1 N 0.5307(2) 0.250000 0.68767(14) 0.0319(6) Uani 1 2 d S T P . . Ag1 Ag 0.38304(3) 0.250000 0.75757(2) 0.05602(12) Uani 1 2 d S T P . . C3 C 0.6200(3) 0.250000 0.56889(17) 0.0284(6) Uani 1 2 d S T P . . N2 N 0.7258(2) 0.250000 0.68153(15) 0.0368(6) Uani 1 2 d S T P . . C2 C 0.7197(3) 0.250000 0.60681(17) 0.0341(7) Uani 1 2 d S T P . . H2 H 0.785012 0.250000 0.579397 0.041 Uiso 1 2 calc R U P . . C4 C 0.5257(3) 0.250000 0.61331(17) 0.0288(6) Uani 1 2 d S T P . . H4 H 0.456820 0.250000 0.590337 0.035 Uiso 1 2 calc R U P . . C5 C 0.6182(3) 0.250000 0.48725(17) 0.0319(7) Uani 1 2 d S T P . . H5 H 0.686134 0.250000 0.462937 0.038 Uiso 1 2 calc R U P . . C6 C 0.5291(3) 0.250000 0.44510(16) 0.0314(7) Uani 1 2 d S T P . . H6 H 0.461325 0.250000 0.469555 0.038 Uiso 1 2 calc R U P . . C9 C 0.4192(4) 0.250000 0.2495(2) 0.0503(10) Uani 1 2 d S T P . . H9 H 0.350556 0.250000 0.226151 0.060 Uiso 1 2 calc R U P . . C8 C 0.4256(3) 0.250000 0.32700(19) 0.0390(8) Uani 1 2 d S T P . . H8 H 0.360907 0.250000 0.355014 0.047 Uiso 1 2 calc R U P . . C7 C 0.5265(3) 0.250000 0.36304(16) 0.0289(6) Uani 1 2 d S T P . . C10 C 0.5135(4) 0.250000 0.2075(2) 0.0527(10) Uani 1 2 d S T P . . H10 H 0.509480 0.250000 0.155651 0.063 Uiso 1 2 calc R U P . . C11 C 0.6137(4) 0.250000 0.2425(2) 0.0533(11) Uani 1 2 d S T P . . H11 H 0.677999 0.250000 0.214058 0.064 Uiso 1 2 calc R U P . . C12 C 0.6212(3) 0.250000 0.3199(2) 0.0452(9) Uani 1 2 d S T P . . H12 H 0.690206 0.250000 0.342731 0.054 Uiso 1 2 calc R U P . . F1 F 0.2807(7) 0.250000 0.4922(6) 0.086(4) Uani 0.510(16) 2 d DS TU P A 1 F2 F 0.2507(5) 0.250000 0.6279(3) 0.083(4) Uani 0.510(16) 2 d DS TU P A 1 F3 F 0.0322(9) 0.187(3) 0.6123(6) 0.088(5) Uani 0.255(8) 1 d D U P A 1 F4 F 0.0786(10) 0.111(2) 0.4725(4) 0.086(4) Uani 0.255(8) 1 d D U P A 1 F1A F 0.2657(9) 0.178(2) 0.4873(6) 0.073(3) Uani 0.245(8) 1 d D U P A 2 F2A F 0.2361(8) 0.1205(17) 0.6251(4) 0.065(3) Uani 0.245(8) 1 d D U P A 2 F3A F 0.0270(6) 0.250000 0.6161(5) 0.060(3) Uani 0.490(16) 2 d DS TU P A 2 F4A F 0.0471(7) 0.250000 0.4714(4) 0.100(4) Uani 0.490(16) 2 d DS TU P A 2 F5 F 0.1688(8) 0.4939(12) 0.5994(5) 0.087(3) Uani 0.3333 1 d D U P A 3 F5A F 0.1410(8) 0.5018(14) 0.5035(7) 0.102(3) Uani 0.3333 1 d D U P A 4 F5B F 0.1478(8) 0.5346(13) 0.5528(7) 0.090(3) Uani 0.3333 1 d D U P B 5 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 Sb1 0.02764(14) 0.05821(16) 0.02831(13) 0.000 0.00141(9) 0.000 C1 0.0291(18) 0.060(2) 0.0238(15) 0.000 -0.0004(13) 0.000 N1 0.0244(14) 0.0457(15) 0.0258(12) 0.000 0.0011(11) 0.000 Ag1 0.02856(17) 0.1022(3) 0.03727(17) 0.000 0.01302(12) 0.000 C3 0.0236(16) 0.0382(16) 0.0233(14) 0.000 -0.0021(12) 0.000 N2 0.0236(14) 0.0596(18) 0.0271(13) 0.000 -0.0034(11) 0.000 C2 0.0219(16) 0.0529(19) 0.0275(15) 0.000 0.0012(13) 0.000 C4 0.0211(15) 0.0384(16) 0.0268(14) 0.000 -0.0006(12) 0.000 C5 0.0231(16) 0.0473(18) 0.0253(15) 0.000 0.0027(12) 0.000 C6 0.0253(16) 0.0442(17) 0.0246(14) 0.000 0.0024(12) 0.000 C9 0.038(2) 0.082(3) 0.0313(17) 0.000 -0.0137(16) 0.000 C8 0.0276(18) 0.057(2) 0.0326(17) 0.000 -0.0010(14) 0.000 C7 0.0286(16) 0.0345(15) 0.0237(14) 0.000 -0.0014(12) 0.000 C10 0.054(3) 0.080(3) 0.0235(16) 0.000 -0.0045(17) 0.000 C11 0.039(2) 0.091(3) 0.0295(18) 0.000 0.0081(16) 0.000 C12 0.0278(18) 0.079(3) 0.0290(17) 0.000 -0.0016(14) 0.000 F1 0.043(4) 0.125(10) 0.090(6) 0.000 0.044(4) 0.000 F2 0.046(3) 0.156(10) 0.047(3) 0.000 -0.016(2) 0.000 F3 0.087(6) 0.086(6) 0.090(6) -0.001(4) 0.015(4) -0.001(4) F4 0.108(7) 0.094(7) 0.056(4) -0.016(5) -0.007(5) -0.045(6) F1A 0.070(5) 0.073(5) 0.075(5) -0.002(4) 0.032(4) -0.015(4) F2A 0.067(4) 0.071(5) 0.058(4) 0.001(3) -0.010(3) 0.022(4) F3A 0.029(3) 0.088(8) 0.063(4) 0.000 0.028(3) 0.000 F4A 0.088(5) 0.158(10) 0.055(4) 0.000 -0.021(3) 0.000 F5 0.095(5) 0.072(5) 0.094(5) -0.042(4) 0.023(5) -0.026(4) F5A 0.108(6) 0.080(5) 0.117(6) 0.048(5) 0.000(5) -0.018(4) F5B 0.075(5) 0.075(4) 0.119(7) -0.002(6) 0.014(6) -0.020(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' 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' Sb Sb -0.5866 1.5461 '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 F2 Sb1 F5 63.8(4) . 7_565 ? F5 Sb1 F5 120.7(7) 7_565 . ? F2 Sb1 F3 92.7(4) . . ? F2 Sb1 F3 92.7(4) . 7_565 ? F3 Sb1 F3 26.1(12) . 7_565 ? F2 Sb1 F5A 111.9(4) . 7_565 ? F3 Sb1 F5A 91.1(6) . 7_565 ? F3 Sb1 F5A 115.1(7) 7_565 7_565 ? F2 Sb1 F4 149.2(5) . 7_565 ? F3 Sb1 F4 101.7(6) . 7_565 ? F3 Sb1 F4 88.8(4) 7_565 7_565 ? F2 Sb1 F4 149.2(5) . . ? F3 Sb1 F4 88.8(4) . . ? F3 Sb1 F4 101.7(6) 7_565 . ? F4 Sb1 F4 59.1(9) 7_565 . ? F1A Sb1 F4A 92.9(4) . . ? F1A Sb1 F4A 92.9(4) 7_565 . ? N2 C1 N1 125.1(3) . . ? C4 N1 C1 117.3(3) . . ? C4 N1 Ag1 122.5(2) . . ? C1 N1 Ag1 120.3(2) . . ? N1 Ag1 N2 174.80(10) . 6_557 ? C2 C3 C4 115.7(3) . . ? C2 C3 C5 120.2(3) . . ? C4 C3 C5 124.0(3) . . ? C1 N2 C2 117.1(3) . . ? C1 N2 Ag1 119.9(2) . 6_657 ? C2 N2 Ag1 122.9(2) . 6_657 ? N2 C2 C3 122.5(3) . . ? N1 C4 C3 122.3(3) . . ? C6 C5 C3 125.9(3) . . ? C5 C6 C7 126.2(3) . . ? C10 C9 C8 120.2(4) . . ? C7 C8 C9 121.1(3) . . ? C8 C7 C12 118.1(3) . . ? C8 C7 C6 119.1(3) . . ? C12 C7 C6 122.8(3) . . ? C11 C10 C9 119.3(3) . . ? C10 C11 C12 121.1(4) . . ? C7 C12 C11 120.3(3) . . ? F3 F3 Sb1 76.9(6) 7_565 . ? F1A F1A Sb1 75.1(5) 7_565 . ? F2A F2A Sb1 63.3(4) 7_565 . ? 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 Sb1 F1A 1.854(9) . ? Sb1 F1A 1.854(9) 7_565 ? Sb1 F2 1.858(5) . ? Sb1 F5 1.861(6) 7_565 ? Sb1 F5 1.861(6) . ? Sb1 F3 1.863(10) . ? Sb1 F3 1.863(9) 7_565 ? Sb1 F5A 1.867(7) . ? Sb1 F5A 1.867(7) 7_565 ? Sb1 F4 1.874(7) 7_565 ? Sb1 F4 1.874(7) . ? Sb1 F4A 1.874(7) . ? C1 N2 1.327(4) . ? C1 N1 1.336(4) . ? N1 C4 1.333(4) . ? N1 Ag1 2.182(3) . ? Ag1 N2 2.194(3) 6_557 ? C3 C2 1.385(5) . ? C3 C4 1.391(4) . ? C3 C5 1.463(4) . ? N2 C2 1.341(4) . ? C5 C6 1.317(5) . ? C6 C7 1.470(4) . ? C9 C10 1.367(6) . ? C9 C8 1.391(5) . ? C8 C7 1.381(5) . ? C7 C12 1.382(5) . ? C10 C11 1.365(6) . ? C11 C12 1.389(5) . ? F3 F3 0.84(4) 7_565 ? F1A F1A 0.96(3) 7_565 ? F2A F2A 1.72(2) 7_565 ?