#------------------------------------------------------------------------------ #$Date: 2020-09-03 04:44:59 +0300 (Thu, 03 Sep 2020) $ #$Revision: 255815 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/53/7705336.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_7705336 loop_ _publ_author_name 'Li, Zili' 'Mackie , Emily R. R.' 'Ramkissoon , Pria' 'Mather , Joel' 'Wiratpruk, Nuchareenat' 'Soares da Costa, Tatiana P.' 'Barnard, Peter' _publ_section_title ; Synthesis, Conformational Analysis and Antibacterial Activity of Au(I)-Ag(I) and Au(I)-Hg(II) Heterobimetallic N-Heterocyclic Carbene Complexes ; _journal_name_full 'Dalton Transactions' _journal_paper_doi 10.1039/D0DT02225J _journal_year 2020 _chemical_formula_moiety 'C22 H32 Ag2 N8, 2(B F4)' _chemical_formula_sum 'C22 H32 Ag2 B2 F8 N8' _chemical_formula_weight 797.91 _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 _atom_sites_solution_primary dual _audit_creation_date 2019-11-20 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2020-06-21 deposited with the CCDC. 2020-09-01 downloaded from the CCDC. ; _cell_angle_alpha 82.3560(10) _cell_angle_beta 67.8470(10) _cell_angle_gamma 85.3190(10) _cell_formula_units_Z 1 _cell_length_a 8.72610(10) _cell_length_b 9.47660(10) _cell_length_c 9.62530(10) _cell_measurement_reflns_used 23082 _cell_measurement_temperature 150(2) _cell_measurement_theta_max 68.3070 _cell_measurement_theta_min 4.6740 _cell_volume 730.215(15) _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_temperature 150.00(10) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.993 _diffrn_measurement_device_type 'Rigaku Oxford Diffraction SuperNova' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0586 _diffrn_reflns_av_unetI/netI 0.0188 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.993 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_number 24497 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.993 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 68.392 _diffrn_reflns_theta_min 4.711 _exptl_absorpt_coefficient_mu 11.483 _exptl_absorpt_correction_T_max 0.47857 _exptl_absorpt_correction_T_min 0.43286 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019) Spherical absorption correction using equivalent radius and absorption coefficient. Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear colourless' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.814 _exptl_crystal_description plate _exptl_crystal_F_000 396 _exptl_crystal_size_max 0.07 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.04 _refine_diff_density_max 0.668 _refine_diff_density_min -1.178 _refine_diff_density_rms 0.118 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.114 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 192 _refine_ls_number_reflns 2681 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.114 _refine_ls_R_factor_all 0.0266 _refine_ls_R_factor_gt 0.0266 _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^)+(0.0424P)^2^+1.0437P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0702 _refine_ls_wR_factor_ref 0.0702 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2681 _reflns_number_total 2681 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; exp_95.res created by SHELXL-2014/7 TITL exp_95_a.res in P-1 REM Old TITL exp_95 in P-1 REM SHELXT solution in P-1 REM R1 0.057, Rweak 0.013, Alpha 0.207, Orientation as input REM Formula found by SHELXT: C12 N4 F4 Ag CELL 1.54184 8.7261 9.4766 9.6253 82.356 67.847 85.319 ZERR 1 0.0001 0.0001 0.0001 0.001 0.001 0.001 LATT 1 SFAC C H Ag B F N UNIT 22 32 2 2 8 8 L.S. 4 0 0 PLAN 20 SIZE 0.07 0.06 0.04 TEMP -123.15(10) list 4 fmap 2 53 ACTA SHEL 20 0.8 REM REM REM WGHT 0.042400 1.043700 FVAR 0.69434 AG1 3 0.420096 0.604251 0.395149 11.00000 0.01522 0.01413 = 0.01907 -0.00304 -0.00585 0.00303 B1 4 0.867730 0.743265 0.138746 11.00000 0.01626 0.01912 = 0.02656 -0.00595 -0.00609 0.00021 C1 1 0.462529 0.449629 0.247169 11.00000 0.01637 0.01478 = 0.01978 0.00209 -0.00633 -0.00133 F1 5 0.890609 0.634945 0.048175 11.00000 0.02876 0.02248 = 0.03282 -0.01119 -0.00458 -0.00111 N1 6 0.601238 0.371527 0.176302 11.00000 0.01371 0.01271 = 0.01729 0.00073 -0.00457 -0.00034 C2 1 0.578848 0.293003 0.075518 11.00000 0.02295 0.01643 = 0.01729 -0.00147 -0.00605 -0.00064 AFIX 43 H2 2 0.658074 0.230421 0.013442 11.00000 -1.20000 AFIX 0 F2 5 0.812978 0.686330 0.289506 11.00000 0.05761 0.03449 = 0.02413 -0.00296 -0.00663 -0.01004 N2 6 0.354626 0.418143 0.186691 11.00000 0.01841 0.01691 = 0.01985 0.00068 -0.00791 -0.00038 C3 1 0.423447 0.321936 0.081891 11.00000 0.02328 0.01775 = 0.02194 -0.00107 -0.00951 -0.00343 AFIX 43 H3 2 0.371012 0.283762 0.025423 11.00000 -1.20000 AFIX 0 F3 5 1.016589 0.809290 0.101010 11.00000 0.02724 0.04194 = 0.04748 -0.00731 -0.01111 -0.01417 N3 6 0.738658 0.230509 0.321504 11.00000 0.01161 0.01326 = 0.02065 -0.00301 -0.00610 0.00326 C4 1 0.664111 0.225079 0.473734 11.00000 0.01107 0.01537 = 0.02419 -0.00071 -0.00812 0.00103 F4 5 0.751056 0.841132 0.115520 11.00000 0.03883 0.03526 = 0.06100 -0.01924 -0.02802 0.01779 N4 6 0.674664 0.086226 0.523240 11.00000 0.01770 0.01471 = 0.02372 -0.00107 -0.00813 0.00081 C5 1 0.795851 0.096475 0.276765 11.00000 0.02168 0.01641 = 0.02823 -0.00915 -0.01009 0.00630 AFIX 43 H5 2 0.852414 0.073379 0.176482 11.00000 -1.20000 AFIX 0 C6 1 0.754811 0.005853 0.404494 11.00000 0.02754 0.01471 = 0.03365 -0.00578 -0.01444 0.00407 AFIX 43 H6 2 0.776688 -0.094159 0.411730 11.00000 -1.20000 AFIX 0 C7 1 0.746420 0.358828 0.218395 11.00000 0.01253 0.01463 = 0.02122 0.00058 -0.00491 -0.00186 AFIX 23 H7A 2 0.848235 0.354893 0.126849 11.00000 -1.20000 H7B 2 0.750429 0.443219 0.267351 11.00000 -1.20000 AFIX 0 C8 1 0.181344 0.471293 0.236149 11.00000 0.01753 0.02683 = 0.03203 -0.00499 -0.01267 0.00498 AFIX 23 H8A 2 0.143295 0.479554 0.150551 11.00000 -1.20000 H8B 2 0.173268 0.567251 0.268874 11.00000 -1.20000 AFIX 0 C9 1 0.071015 0.371656 0.365505 11.00000 0.01591 0.03902 = 0.04627 -0.00566 -0.00619 -0.00387 AFIX 137 H9A 2 0.071674 0.278980 0.330607 11.00000 -1.50000 H9B 2 -0.042279 0.412248 0.401401 11.00000 -1.50000 H9C 2 0.112361 0.359359 0.448089 11.00000 -1.50000 AFIX 0 C10 1 0.620977 0.029402 0.683351 11.00000 0.02634 0.02328 = 0.02665 0.00569 -0.00858 -0.00076 AFIX 23 H10A 2 0.591425 -0.071319 0.694961 11.00000 -1.20000 H10B 2 0.520933 0.083771 0.742262 11.00000 -1.20000 AFIX 0 C11 1 0.755427 0.038727 0.745053 11.00000 0.05384 0.03579 = 0.03634 0.00233 -0.02799 -0.00337 AFIX 137 H11A 2 0.855874 -0.012192 0.684653 11.00000 -1.50000 H11B 2 0.718067 -0.004496 0.850161 11.00000 -1.50000 H11C 2 0.779346 0.138904 0.740274 11.00000 -1.50000 AFIX 0 HKLF 4 REM exp_95_a.res in P-1 REM R1 = 0.0266 for 2681 Fo > 4sig(Fo) and 0.0266 for all 2681 data REM 192 parameters refined using 0 restraints END WGHT 0.0424 1.0438 REM Highest difference peak 0.668, deepest hole -1.178, 1-sigma level 0.118 Q1 1 0.3720 0.4626 0.4311 11.00000 0.05 0.67 Q2 1 0.4798 0.7338 0.3609 11.00000 0.05 0.60 Q3 1 0.4140 0.6039 0.2960 11.00000 0.05 0.52 Q4 1 0.4168 0.6004 0.4974 11.00000 0.05 0.50 Q5 1 0.5805 0.6621 0.3833 11.00000 0.05 0.43 Q6 1 0.4960 0.4868 0.4387 11.00000 0.05 0.42 Q7 1 0.2604 0.5393 0.4163 11.00000 0.05 0.42 Q8 1 0.1435 0.5794 0.4181 11.00000 0.05 0.36 Q9 1 0.4649 0.4388 0.3476 11.00000 0.05 0.34 Q10 1 0.3362 0.7182 0.3570 11.00000 0.05 0.33 Q11 1 0.6961 0.6345 0.3758 11.00000 0.05 0.32 Q12 1 0.6809 0.6205 0.4870 11.00000 0.05 0.31 Q13 1 0.4936 0.0588 0.7059 11.00000 0.05 0.31 Q14 1 0.3828 0.4042 0.2437 11.00000 0.05 0.30 Q15 1 0.8678 0.2230 0.5960 11.00000 0.05 0.29 Q16 1 0.3972 0.2118 0.7031 11.00000 0.05 0.29 Q17 1 0.8851 0.1971 0.6333 11.00000 0.05 0.29 Q18 1 0.6417 0.1948 0.7380 11.00000 0.05 0.28 Q19 1 0.2894 0.2798 0.2668 11.00000 0.05 0.28 Q20 1 0.3646 0.1813 0.1800 11.00000 0.05 0.28 REM The information below was added by Olex2. REM REM R1 = 0.0266 for 2681 Fo > 4sig(Fo) and 0.0266 for all 24497 data REM n/a parameters refined using n/a restraints REM Highest difference peak 0.67, deepest hole -1.18 REM Mean Shift 0, Max Shift 0.000. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0266 REM R1_gt = 0.0266 REM wR_ref = 0.0702 REM GOOF = 1.114 REM Shift_max = 0.000 REM Shift_mean = 0 REM Reflections_all = 24497 REM Reflections_gt = 2681 REM Parameters = n/a REM Hole = -1.18 REM Peak = 0.67 REM Flack = n/a ; _cod_data_source_file d0dt02225j2.cif _cod_data_source_block 8b _cod_original_cell_volume 730.216(15) _cod_database_code 7705336 _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_max 0.657 _shelx_estimated_absorpt_t_min 0.500 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2.a Secondary CH2 refined with riding coordinates: C7(H7A,H7B), C8(H8A,H8B), C10(H10A,H10B) 2.b Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C5(H5), C6(H6) 2.c Idealised Me refined as rotating group: C9(H9A,H9B,H9C), C11(H11A,H11B,H11C) ; _olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems' _olex2_exptl_crystal_mounting_method 'The crystal was mounted on a mylar loop in perfluoroether oil' _olex2_submission_special_instructions 'No special instructions were received' 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 0.42010(2) 0.60425(2) 0.39515(2) 0.01638(9) Uani 1 1 d . . . . . B1 B 0.8677(4) 0.7433(4) 0.1387(4) 0.0209(7) Uani 1 1 d . . . . . C1 C 0.4625(4) 0.4496(3) 0.2472(3) 0.0174(6) Uani 1 1 d . . . . . F1 F 0.8906(2) 0.63494(19) 0.0482(2) 0.0292(4) Uani 1 1 d . . . . . N1 N 0.6012(3) 0.3715(2) 0.1763(3) 0.0152(4) Uani 1 1 d . . . . . C2 C 0.5788(4) 0.2930(3) 0.0755(3) 0.0193(6) Uani 1 1 d . . . . . H2 H 0.6581 0.2304 0.0134 0.023 Uiso 1 1 calc R . . . . F2 F 0.8130(3) 0.6863(2) 0.2895(2) 0.0408(5) Uani 1 1 d . . . . . N2 N 0.3546(3) 0.4181(2) 0.1867(3) 0.0184(5) Uani 1 1 d . . . . . C3 C 0.4234(4) 0.3219(3) 0.0819(3) 0.0206(6) Uani 1 1 d . . . . . H3 H 0.3710 0.2838 0.0254 0.025 Uiso 1 1 calc R . . . . F3 F 1.0166(3) 0.8093(2) 0.1010(2) 0.0387(5) Uani 1 1 d . . . . . N3 N 0.7387(3) 0.2305(2) 0.3215(3) 0.0152(5) Uani 1 1 d . . . . . C4 C 0.6641(3) 0.2251(3) 0.4737(3) 0.0166(5) Uani 1 1 d . . . . . F4 F 0.7511(3) 0.8411(2) 0.1155(3) 0.0420(5) Uani 1 1 d . . . . . N4 N 0.6747(3) 0.0862(2) 0.5232(3) 0.0188(5) Uani 1 1 d . . . . . C5 C 0.7959(4) 0.0965(3) 0.2768(4) 0.0216(6) Uani 1 1 d . . . . . H5 H 0.8524 0.0734 0.1765 0.026 Uiso 1 1 calc R . . . . C6 C 0.7548(4) 0.0059(3) 0.4045(4) 0.0244(6) Uani 1 1 d . . . . . H6 H 0.7767 -0.0942 0.4117 0.029 Uiso 1 1 calc R . . . . C7 C 0.7464(3) 0.3588(3) 0.2184(3) 0.0167(5) Uani 1 1 d . . . . . H7A H 0.8482 0.3549 0.1268 0.020 Uiso 1 1 calc R . . . . H7B H 0.7504 0.4432 0.2674 0.020 Uiso 1 1 calc R . . . . C8 C 0.1813(4) 0.4713(3) 0.2361(4) 0.0246(6) Uani 1 1 d . . . . . H8A H 0.1433 0.4796 0.1506 0.030 Uiso 1 1 calc R . . . . H8B H 0.1733 0.5673 0.2689 0.030 Uiso 1 1 calc R . . . . C9 C 0.0710(4) 0.3717(4) 0.3655(4) 0.0350(8) Uani 1 1 d . . . . . H9A H 0.0717 0.2790 0.3306 0.053 Uiso 1 1 calc GR . . . . H9B H -0.0423 0.4122 0.4014 0.053 Uiso 1 1 calc GR . . . . H9C H 0.1124 0.3594 0.4481 0.053 Uiso 1 1 calc GR . . . . C10 C 0.6210(4) 0.0294(3) 0.6834(4) 0.0266(7) Uani 1 1 d . . . . . H10A H 0.5914 -0.0713 0.6950 0.032 Uiso 1 1 calc R . . . . H10B H 0.5209 0.0838 0.7423 0.032 Uiso 1 1 calc R . . . . C11 C 0.7554(5) 0.0387(4) 0.7451(4) 0.0392(9) Uani 1 1 d . . . . . H11A H 0.8559 -0.0122 0.6847 0.059 Uiso 1 1 calc GR . . . . H11B H 0.7181 -0.0045 0.8502 0.059 Uiso 1 1 calc GR . . . . H11C H 0.7793 0.1389 0.7403 0.059 Uiso 1 1 calc GR . . . . 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 0.01522(13) 0.01413(13) 0.01907(13) -0.00304(8) -0.00585(9) 0.00303(8) B1 0.0163(16) 0.0191(15) 0.0266(17) -0.0059(13) -0.0061(13) 0.0002(12) C1 0.0164(13) 0.0148(13) 0.0198(13) 0.0021(10) -0.0063(11) -0.0013(10) F1 0.0288(10) 0.0225(9) 0.0328(10) -0.0112(7) -0.0046(8) -0.0011(7) N1 0.0137(11) 0.0127(10) 0.0173(11) 0.0007(9) -0.0046(9) -0.0003(9) C2 0.0230(15) 0.0164(13) 0.0173(13) -0.0015(10) -0.0060(11) -0.0006(11) F2 0.0576(14) 0.0345(11) 0.0241(10) -0.0030(8) -0.0066(9) -0.0100(10) N2 0.0184(12) 0.0169(11) 0.0198(11) 0.0007(9) -0.0079(9) -0.0004(9) C3 0.0233(15) 0.0178(13) 0.0219(14) -0.0011(11) -0.0095(12) -0.0034(11) F3 0.0272(10) 0.0419(12) 0.0475(12) -0.0073(9) -0.0111(9) -0.0142(9) N3 0.0116(11) 0.0133(11) 0.0207(11) -0.0030(9) -0.0061(9) 0.0033(8) C4 0.0111(13) 0.0154(13) 0.0242(14) -0.0007(11) -0.0081(11) 0.0010(10) F4 0.0388(12) 0.0353(11) 0.0610(14) -0.0192(10) -0.0280(11) 0.0178(9) N4 0.0177(12) 0.0147(11) 0.0237(12) -0.0011(9) -0.0081(10) 0.0008(9) C5 0.0217(15) 0.0164(13) 0.0282(15) -0.0091(12) -0.0101(12) 0.0063(11) C6 0.0275(16) 0.0147(13) 0.0336(17) -0.0058(12) -0.0144(13) 0.0041(12) C7 0.0125(13) 0.0146(12) 0.0212(13) 0.0006(10) -0.0049(10) -0.0019(10) C8 0.0175(15) 0.0268(15) 0.0320(16) -0.0050(13) -0.0127(13) 0.0050(12) C9 0.0159(15) 0.0390(19) 0.046(2) -0.0057(16) -0.0062(14) -0.0039(14) C10 0.0263(16) 0.0233(15) 0.0267(16) 0.0057(12) -0.0086(13) -0.0008(12) C11 0.054(2) 0.0358(19) 0.0363(19) 0.0023(15) -0.0280(18) -0.0034(17) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 '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 C1 Ag1 Ag1 91.49(8) . 2_666 ? C1 Ag1 C4 167.40(11) . 2_666 ? C4 Ag1 Ag1 99.84(8) 2_666 2_666 ? F1 B1 F2 109.5(3) . . ? F1 B1 F3 109.5(3) . . ? F3 B1 F2 109.5(3) . . ? F4 B1 F1 108.8(3) . . ? F4 B1 F2 109.8(3) . . ? F4 B1 F3 109.7(3) . . ? N1 C1 Ag1 131.0(2) . . ? N2 C1 Ag1 124.9(2) . . ? N2 C1 N1 103.7(2) . . ? C1 N1 C2 111.5(2) . . ? C1 N1 C7 123.3(2) . . ? C2 N1 C7 124.7(2) . . ? C3 C2 N1 106.7(3) . . ? C1 N2 C3 111.6(2) . . ? C1 N2 C8 123.6(3) . . ? C3 N2 C8 124.6(2) . . ? C2 C3 N2 106.5(3) . . ? C4 N3 C5 111.4(2) . . ? C4 N3 C7 124.0(2) . . ? C5 N3 C7 124.4(2) . . ? N3 C4 Ag1 128.0(2) . 2_666 ? N4 C4 Ag1 127.3(2) . 2_666 ? N4 C4 N3 104.3(2) . . ? C4 N4 C6 111.4(2) . . ? C4 N4 C10 124.2(3) . . ? C6 N4 C10 124.3(2) . . ? C6 C5 N3 106.0(3) . . ? C5 C6 N4 106.9(3) . . ? N3 C7 N1 109.8(2) . . ? N2 C8 C9 110.8(3) . . ? N4 C10 C11 111.5(3) . . ? 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 Ag1 3.2458(3) 2_666 ? Ag1 C1 2.093(3) . ? Ag1 C4 2.097(3) 2_666 ? B1 F1 1.388(4) . ? B1 F2 1.391(4) . ? B1 F3 1.388(4) . ? B1 F4 1.382(4) . ? C1 N1 1.358(4) . ? C1 N2 1.349(4) . ? N1 C2 1.375(4) . ? N1 C7 1.460(4) . ? C2 C3 1.341(4) . ? N2 C3 1.381(4) . ? N2 C8 1.471(4) . ? N3 C4 1.356(4) . ? N3 C5 1.388(4) . ? N3 C7 1.453(3) . ? C4 Ag1 2.097(3) 2_666 ? C4 N4 1.347(4) . ? N4 C6 1.385(4) . ? N4 C10 1.470(4) . ? C5 C6 1.347(5) . ? C8 C9 1.517(5) . ? C10 C11 1.514(5) . ?