Electronic Supplementary MAterial for CrystEngComm This journal is © The Royal Society of Chemistry 2005 data_global _journal_name_full CrystEngComm _journal_coden_Cambridge 1350 _publ_contact_author_name M.Hosseini _publ_contact_author_address ; Laboratoire de Chimie de Coordination Organique Universite Louis Pasteur 4 rue Blaise Pascal 67000 Strasbourg FRANCE ; _publ_contact_author_email HOSSEINI@CHIMIE.U-STRASBG.FR _publ_section_title ; Molecular tectonics: on the role of counter ions in the dimensionality of silver coordination networks ; loop_ _publ_author_name 'M. Hosseini' 'Abdelaziz Jouaiti' 'Nathalie Kyritsakas' 'Jean-Marc Planeix' 'David Pocic' data_e365a _database_code_depnum_ccdc_archive 'CCDC 279496' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C8 H10 Ag N2, As F6' _chemical_formula_sum 'C8 H10 Ag As F6 N2' _chemical_formula_weight 430.97 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' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' As As 0.0499 2.0058 '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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M C2/c _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_as_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' _cell_length_a 12.2972(3) _cell_length_b 10.3781(3) _cell_length_c 19.1675(4) _cell_angle_alpha 90.00 _cell_angle_beta 103.598(2) _cell_angle_gamma 90.00 _cell_volume 2377.62(10) _cell_formula_units_Z 8 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 8420 _cell_measurement_theta_min 0.00 _cell_measurement_theta_max 0.00 _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.10 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas none _exptl_crystal_density_diffrn 2.408 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1648 _exptl_absorpt_coefficient_mu 4.518 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6608 _exptl_absorpt_correction_T_max 0.7139 _exptl_absorpt_process_details sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 23492 _diffrn_reflns_av_R_equivalents 0.0380 _diffrn_reflns_av_sigmaI/netI 0.0366 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_theta_min 2.97 _diffrn_reflns_theta_max 34.77 _reflns_number_total 5179 _reflns_number_gt 3971 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0370P)^2^+0.4969P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment riding _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5179 _refine_ls_number_parameters 192 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0482 _refine_ls_R_factor_gt 0.0306 _refine_ls_wR_factor_ref 0.0733 _refine_ls_wR_factor_gt 0.0684 _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_restrained_S_all 1.054 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.275634(13) 0.886057(15) 0.636249(8) 0.02412(5) Uani 1 1 d . . . N1 N 0.34612(15) 0.99989(17) 0.72861(9) 0.0226(3) Uani 1 1 d . . . C1 C 0.37342(19) 0.9398(2) 0.79263(12) 0.0265(4) Uani 1 1 d . . . H1 H 0.3736 0.8482 0.7937 0.032 Uiso 1 1 calc R . . C2 C 0.40121(18) 1.0062(2) 0.85688(11) 0.0245(4) Uani 1 1 d . . . H2 H 0.4210 0.9605 0.9010 0.029 Uiso 1 1 calc R . . C3 C 0.40014(16) 1.14017(19) 0.85674(11) 0.0197(4) Uani 1 1 d . . . C4 C 0.37541(18) 1.2016(2) 0.79060(11) 0.0237(4) Uani 1 1 d . . . H4 H 0.3769 1.2930 0.7882 0.028 Uiso 1 1 calc R . . C5 C 0.34851(19) 1.1294(2) 0.72780(12) 0.0255(4) Uani 1 1 d . . . H5 H 0.3313 1.1729 0.6829 0.031 Uiso 1 1 calc R . . N2 N 0.18168(13) 0.75602(15) 0.55330(8) 0.0163(3) Uani 1 1 d . . . C6 C 0.24909(16) 0.64011(17) 0.54437(10) 0.0175(3) Uani 1 1 d . . . H6A H 0.2022 0.5799 0.5099 0.021 Uiso 1 1 calc R . . H6B H 0.2732 0.5952 0.5910 0.021 Uiso 1 1 calc R . . C7 C 0.35110(16) 0.67739(18) 0.51737(10) 0.0181(3) Uani 1 1 d . . . H7A H 0.3994 0.7350 0.5527 0.022 Uiso 1 1 calc R . . H7B H 0.3947 0.5991 0.5125 0.022 Uiso 1 1 calc R . . C8 C 0.07683(16) 0.7153(2) 0.57369(11) 0.0218(4) Uani 1 1 d . . . H8A H 0.0319 0.6613 0.5348 0.026 Uiso 1 1 calc R . . H8B H 0.0322 0.7927 0.5786 0.026 Uiso 1 1 calc R . . As1 As 0.7500 0.2500 1.0000 0.02069(7) Uani 1 2 d S . . F1 F 0.66615(15) 0.36274(16) 0.94943(11) 0.0586(5) Uani 1 1 d . . . F2 F 0.67193(13) 0.12958(13) 0.94933(8) 0.0354(3) Uani 1 1 d . . . F3 F 0.66250(16) 0.2449(2) 1.05690(10) 0.0600(5) Uani 1 1 d . . . As2 As 0.0000 0.92887(3) 0.2500 0.02217(7) Uani 1 2 d S . . F4 F 0.1080(4) 0.8315(5) 0.2884(3) 0.0638(15) Uani 0.50 1 d P F . F5 F 0.1118(4) 1.0242(5) 0.2915(3) 0.0615(14) Uani 0.50 1 d P G . F6 F 0.0689(5) 0.8865(5) 0.1864(2) 0.0678(14) Uani 0.50 1 d P H . F6A F 0.0661(4) 0.9672(4) 0.1829(2) 0.0570(11) Uani 0.50 1 d P I . F5A F 0.0606(4) 1.0542(4) 0.2999(2) 0.0409(9) Uani 0.50 1 d P J . F4A F 0.0615(4) 0.8005(4) 0.3033(2) 0.0397(9) Uani 0.50 1 d P K . 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 0.02999(9) 0.02534(8) 0.01622(8) -0.00647(5) 0.00383(6) -0.00027(6) N1 0.0260(8) 0.0251(9) 0.0173(8) -0.0057(6) 0.0061(6) 0.0001(6) C1 0.0336(11) 0.0223(9) 0.0231(10) -0.0040(7) 0.0057(8) 0.0032(8) C2 0.0307(10) 0.0263(10) 0.0157(9) -0.0016(7) 0.0041(8) 0.0045(8) C3 0.0180(8) 0.0245(9) 0.0174(8) -0.0045(7) 0.0057(7) -0.0014(7) C4 0.0317(10) 0.0208(9) 0.0204(9) -0.0026(7) 0.0097(8) -0.0037(8) C5 0.0331(11) 0.0267(10) 0.0185(9) -0.0011(7) 0.0099(8) -0.0029(8) N2 0.0198(7) 0.0166(7) 0.0121(7) 0.0023(5) 0.0031(6) 0.0017(5) C6 0.0231(9) 0.0152(8) 0.0139(8) 0.0026(6) 0.0038(7) 0.0017(6) C7 0.0206(8) 0.0189(8) 0.0135(8) 0.0042(6) 0.0016(6) 0.0039(6) C8 0.0194(8) 0.0278(10) 0.0177(9) 0.0052(7) 0.0035(7) 0.0019(7) As1 0.02230(14) 0.01832(13) 0.01926(14) 0.00243(10) 0.00049(11) -0.00286(10) F1 0.0450(9) 0.0321(8) 0.0779(14) 0.0193(8) -0.0269(9) -0.0060(7) F2 0.0357(7) 0.0272(7) 0.0363(8) -0.0040(5) -0.0056(6) -0.0079(6) F3 0.0575(11) 0.0861(14) 0.0447(10) -0.0162(9) 0.0284(9) -0.0259(10) As2 0.02430(14) 0.01880(13) 0.02106(14) 0.000 0.00059(11) 0.000 F4 0.058(3) 0.047(3) 0.063(3) -0.017(2) -0.032(2) 0.027(2) F5 0.051(3) 0.059(3) 0.058(3) 0.016(2) -0.018(2) -0.030(2) F6 0.090(3) 0.076(3) 0.048(2) 0.007(2) 0.037(2) 0.033(3) F6A 0.071(3) 0.065(3) 0.047(2) -0.016(2) 0.038(2) -0.025(2) F5A 0.051(2) 0.0264(17) 0.0379(18) -0.0139(13) -0.0034(19) -0.0065(17) F4A 0.048(3) 0.0274(18) 0.0353(18) 0.0038(13) -0.0072(18) 0.0122(17) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 N1 2.1353(17) . ? Ag1 N2 2.1954(16) . ? N1 C5 1.345(3) . ? N1 C1 1.347(3) . ? C1 C2 1.383(3) . ? C1 H1 0.9500 . ? C2 C3 1.390(3) . ? C2 H2 0.9500 . ? C3 C4 1.387(3) . ? C3 C8 1.513(3) 4_556 ? C4 C5 1.390(3) . ? C4 H4 0.9500 . ? C5 H5 0.9500 . ? N2 C7 1.489(2) 7_566 ? N2 C6 1.493(2) . ? N2 C8 1.494(2) . ? C6 C7 1.515(3) . ? C6 H6A 0.9900 . ? C6 H6B 0.9900 . ? C7 N2 1.489(2) 7_566 ? C7 H7A 0.9900 . ? C7 H7B 0.9900 . ? C8 C3 1.513(3) 4_546 ? C8 H8A 0.9900 . ? C8 H8B 0.9900 . ? As1 F3 1.7034(16) 7_657 ? As1 F3 1.7034(16) . ? As1 F1 1.7035(16) . ? As1 F1 1.7035(16) 7_657 ? As1 F2 1.7287(13) 7_657 ? As1 F2 1.7287(13) . ? As2 F5A 1.681(4) . ? As2 F5A 1.681(4) 2 ? As2 F4 1.693(5) . ? As2 F4 1.693(5) 2 ? As2 F6 1.698(4) 2 ? As2 F6 1.698(4) . ? As2 F6A 1.721(4) . ? As2 F6A 1.721(4) 2 ? As2 F5 1.729(4) . ? As2 F5 1.729(4) 2 ? As2 F4A 1.740(4) 2 ? As2 F4A 1.740(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 N1 Ag1 N2 169.24(6) . . ? C5 N1 C1 118.18(18) . . ? C5 N1 Ag1 123.31(14) . . ? C1 N1 Ag1 117.68(14) . . ? N1 C1 C2 122.5(2) . . ? N1 C1 H1 118.8 . . ? C2 C1 H1 118.8 . . ? C1 C2 C3 119.81(19) . . ? C1 C2 H2 120.1 . . ? C3 C2 H2 120.1 . . ? C4 C3 C2 117.46(18) . . ? C4 C3 C8 121.61(19) . 4_556 ? C2 C3 C8 120.91(19) . 4_556 ? C3 C4 C5 120.00(19) . . ? C3 C4 H4 120.0 . . ? C5 C4 H4 120.0 . . ? N1 C5 C4 122.0(2) . . ? N1 C5 H5 119.0 . . ? C4 C5 H5 119.0 . . ? C7 N2 C6 107.96(14) 7_566 . ? C7 N2 C8 107.68(14) 7_566 . ? C6 N2 C8 109.78(14) . . ? C7 N2 Ag1 110.93(11) 7_566 . ? C6 N2 Ag1 111.49(11) . . ? C8 N2 Ag1 108.92(12) . . ? N2 C6 C7 111.09(14) . . ? N2 C6 H6A 109.4 . . ? C7 C6 H6A 109.4 . . ? N2 C6 H6B 109.4 . . ? C7 C6 H6B 109.4 . . ? H6A C6 H6B 108.0 . . ? N2 C7 C6 111.12(15) 7_566 . ? N2 C7 H7A 109.4 7_566 . ? C6 C7 H7A 109.4 . . ? N2 C7 H7B 109.4 7_566 . ? C6 C7 H7B 109.4 . . ? H7A C7 H7B 108.0 . . ? N2 C8 C3 112.48(16) . 4_546 ? N2 C8 H8A 109.1 . . ? C3 C8 H8A 109.1 4_546 . ? N2 C8 H8B 109.1 . . ? C3 C8 H8B 109.1 4_546 . ? H8A C8 H8B 107.8 . . ? F3 As1 F3 179.999(1) 7_657 . ? F3 As1 F1 90.20(11) 7_657 . ? F3 As1 F1 89.80(11) . . ? F3 As1 F1 89.81(11) 7_657 7_657 ? F3 As1 F1 90.19(11) . 7_657 ? F1 As1 F1 179.998(1) . 7_657 ? F3 As1 F2 89.22(8) 7_657 7_657 ? F3 As1 F2 90.78(8) . 7_657 ? F1 As1 F2 90.29(8) . 7_657 ? F1 As1 F2 89.71(8) 7_657 7_657 ? F3 As1 F2 90.78(8) 7_657 . ? F3 As1 F2 89.22(8) . . ? F1 As1 F2 89.71(8) . . ? F1 As1 F2 90.29(8) 7_657 . ? F2 As1 F2 180.0 7_657 . ? F5A As2 F5A 78.6(3) . 2 ? F5A As2 F4 91.0(2) . . ? F5A As2 F4 155.1(3) 2 . ? F5A As2 F4 155.1(2) . 2 ? F5A As2 F4 91.0(2) 2 2 ? F4 As2 F4 106.7(4) . 2 ? F5A As2 F6 91.2(2) . 2 ? F5A As2 F6 112.3(3) 2 2 ? F4 As2 F6 90.3(3) . 2 ? F4 As2 F6 71.6(3) 2 2 ? F5A As2 F6 112.3(3) . . ? F5A As2 F6 91.2(2) 2 . ? F4 As2 F6 71.6(3) . . ? F4 As2 F6 90.3(3) 2 . ? F6 As2 F6 150.0(4) 2 . ? F5A As2 F6A 91.2(2) . . ? F5A As2 F6A 67.7(2) 2 . ? F4 As2 F6A 90.2(3) . . ? F4 As2 F6A 105.9(3) 2 . ? F6 As2 F6A 177.5(2) 2 . ? F5A As2 F6A 67.7(2) . 2 ? F5A As2 F6A 91.2(2) 2 2 ? F4 As2 F6A 105.9(3) . 2 ? F4 As2 F6A 90.2(3) 2 2 ? F6 As2 F6A 177.5(2) . 2 ? F6A As2 F6A 153.3(3) . 2 ? F5A As2 F5 91.0(2) 2 . ? F4 As2 F5 71.6(3) . . ? F4 As2 F5 177.9(2) 2 . ? F6 As2 F5 107.2(2) 2 . ? F6 As2 F5 90.1(3) . . ? F6A As2 F5 75.4(2) . . ? F6A As2 F5 89.3(3) 2 . ? F5A As2 F5 91.0(2) . 2 ? F4 As2 F5 177.9(2) . 2 ? F4 As2 F5 71.6(2) 2 2 ? F6 As2 F5 90.1(3) 2 2 ? F6 As2 F5 107.2(2) . 2 ? F6A As2 F5 89.3(3) . 2 ? F6A As2 F5 75.4(2) 2 2 ? F5 As2 F5 110.2(4) . 2 ? F5A As2 F4A 178.7(2) . 2 ? F5A As2 F4A 100.7(2) 2 2 ? F4 As2 F4A 89.19(19) . 2 ? F6 As2 F4A 90.1(2) 2 2 ? F6 As2 F4A 66.5(2) . 2 ? F6A As2 F4A 87.4(2) . 2 ? F6A As2 F4A 113.5(2) 2 2 ? F5 As2 F4A 153.8(2) . 2 ? F5 As2 F4A 88.8(2) 2 2 ? F5A As2 F4A 100.7(2) . . ? F5A As2 F4A 178.7(2) 2 . ? F4 As2 F4A 89.19(19) 2 . ? F6 As2 F4A 66.5(2) 2 . ? F6 As2 F4A 90.1(2) . . ? F6A As2 F4A 113.5(2) . . ? F6A As2 F4A 87.4(2) 2 . ? F5 As2 F4A 88.8(2) . . ? F5 As2 F4A 153.8(2) 2 . ? F4A As2 F4A 80.0(3) 2 . ? _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 34.77 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 0.972 _refine_diff_density_min -0.532 _refine_diff_density_rms 0.135 data_e366a _database_code_depnum_ccdc_archive 'CCDC 279497' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C8 H10 Ag N2, F6 Sb' _chemical_formula_sum 'C8 H10 Ag F6 N2 Sb' _chemical_formula_weight 477.80 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' F F 0.0171 0.0103 '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' Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M C2/c _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_as_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' _cell_length_a 12.3792(5) _cell_length_b 10.6135(3) _cell_length_c 19.1059(7) _cell_angle_alpha 90.00 _cell_angle_beta 101.732(2) _cell_angle_gamma 90.00 _cell_volume 2457.82(15) _cell_formula_units_Z 8 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 3749 _cell_measurement_theta_min 2.18 _cell_measurement_theta_max 29.77 _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.08 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas none _exptl_crystal_density_diffrn 2.582 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1792 _exptl_absorpt_coefficient_mu 3.849 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6768 _exptl_absorpt_correction_T_max 0.8612 _exptl_absorpt_process_details sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 10233 _diffrn_reflns_av_R_equivalents 0.0270 _diffrn_reflns_av_sigmaI/netI 0.0324 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 2.55 _diffrn_reflns_theta_max 30.03 _reflns_number_total 3591 _reflns_number_gt 2968 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0370P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment riding _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3591 _refine_ls_number_parameters 193 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0351 _refine_ls_R_factor_gt 0.0259 _refine_ls_wR_factor_ref 0.0667 _refine_ls_wR_factor_gt 0.0641 _refine_ls_goodness_of_fit_ref 1.047 _refine_ls_restrained_S_all 1.047 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.277173(19) 0.87725(2) 0.638607(10) 0.02466(7) Uani 1 1 d . . . N1 N 0.3461(2) 0.9912(2) 0.72919(12) 0.0242(5) Uani 1 1 d . . . C1 C 0.3754(3) 0.9368(3) 0.79351(15) 0.0265(6) Uani 1 1 d . . . H1 H 0.3777 0.8474 0.7961 0.032 Uiso 1 1 calc R . . C2 C 0.4025(3) 1.0051(3) 0.85614(14) 0.0249(6) Uani 1 1 d . . . H2 H 0.4240 0.9626 0.9005 0.030 Uiso 1 1 calc R . . C3 C 0.3983(2) 1.1349(3) 0.85440(14) 0.0198(5) Uani 1 1 d . . . C4 C 0.3710(3) 1.1920(3) 0.78746(14) 0.0251(6) Uani 1 1 d . . . H4 H 0.3700 1.2813 0.7836 0.030 Uiso 1 1 calc R . . C5 C 0.3452(3) 1.1177(3) 0.72633(15) 0.0253(6) Uani 1 1 d . . . H5 H 0.3264 1.1577 0.6810 0.030 Uiso 1 1 calc R . . N2 N 0.18331(19) 0.7533(2) 0.55558(11) 0.0168(4) Uani 1 1 d . . . C6 C 0.2488(2) 0.6406(2) 0.54249(13) 0.0176(5) Uani 1 1 d . . . H6A H 0.2017 0.5840 0.5080 0.021 Uiso 1 1 calc R . . H6B H 0.2727 0.5938 0.5878 0.021 Uiso 1 1 calc R . . C7 C 0.3490(2) 0.6777(3) 0.51343(13) 0.0186(5) Uani 1 1 d . . . H7A H 0.3976 0.7320 0.5486 0.022 Uiso 1 1 calc R . . H7B H 0.3911 0.6012 0.5061 0.022 Uiso 1 1 calc R . . C8 C 0.0795(2) 0.7125(3) 0.57778(14) 0.0223(6) Uani 1 1 d . . . H8A H 0.0345 0.6622 0.5388 0.027 Uiso 1 1 calc R . . H8B H 0.0362 0.7880 0.5852 0.027 Uiso 1 1 calc R . . Sb1 Sb 0.7500 0.2500 1.0000 0.02122(7) Uani 1 2 d S . . F1 F 0.6523(2) 0.3706(2) 0.95389(17) 0.0736(10) Uani 1 1 d . . . F2 F 0.66613(18) 0.12140(17) 0.94705(10) 0.0378(5) Uani 1 1 d . . . F3 F 0.6653(3) 0.2336(3) 1.06883(14) 0.0774(10) Uani 1 1 d . . . Sb2 Sb 0.0000 0.93914(2) 0.2500 0.02345(7) Uani 1 2 d S . . F4 F 0.1169(6) 0.8368(6) 0.2884(3) 0.0510(19) Uani 0.497(9) 1 d P A 1 F5 F 0.1230(6) 1.0374(6) 0.2949(3) 0.0514(18) Uani 0.497(9) 1 d P A 1 F6 F 0.0755(5) 0.8887(8) 0.1816(3) 0.065(2) Uani 0.497(9) 1 d P A 1 F6A F 0.0725(4) 0.9874(7) 0.1751(2) 0.0476(17) Uani 0.503(9) 1 d P A 2 F5A F 0.0607(7) 1.0750(4) 0.3029(3) 0.0487(17) Uani 0.503(9) 1 d P A 2 F4A F 0.0619(6) 0.8012(5) 0.3100(3) 0.0432(15) Uani 0.503(9) 1 d P A 2 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 0.03306(13) 0.02361(12) 0.01637(10) -0.00661(8) 0.00282(8) 0.00035(9) N1 0.0294(13) 0.0256(13) 0.0174(10) -0.0055(9) 0.0045(10) -0.0010(10) C1 0.0336(16) 0.0218(14) 0.0237(13) -0.0053(11) 0.0046(12) 0.0036(12) C2 0.0289(15) 0.0286(16) 0.0171(12) -0.0002(11) 0.0041(11) 0.0066(12) C3 0.0202(13) 0.0220(14) 0.0185(12) -0.0061(10) 0.0073(10) -0.0031(10) C4 0.0397(17) 0.0177(13) 0.0205(12) -0.0018(11) 0.0125(12) -0.0040(12) C5 0.0336(16) 0.0263(15) 0.0172(12) -0.0002(11) 0.0076(12) -0.0014(12) N2 0.0233(12) 0.0146(11) 0.0123(9) 0.0024(8) 0.0033(9) 0.0032(8) C6 0.0269(14) 0.0103(11) 0.0145(11) 0.0012(9) 0.0019(10) 0.0022(10) C7 0.0241(13) 0.0160(12) 0.0149(11) 0.0025(10) 0.0019(10) 0.0061(10) C8 0.0233(14) 0.0239(14) 0.0202(12) 0.0042(10) 0.0051(11) 0.0011(11) Sb1 0.02647(14) 0.01676(13) 0.01853(12) 0.00132(9) 0.00007(10) -0.00362(10) F1 0.0551(16) 0.0262(11) 0.116(2) 0.0163(13) -0.0388(16) -0.0037(10) F2 0.0444(11) 0.0251(10) 0.0363(10) -0.0032(8) -0.0096(9) -0.0096(8) F3 0.113(3) 0.0734(19) 0.0638(17) -0.0227(14) 0.0606(18) -0.0428(17) Sb2 0.02705(14) 0.01740(13) 0.02462(13) 0.000 0.00226(11) 0.000 F4 0.047(3) 0.043(3) 0.051(3) -0.006(2) -0.018(3) 0.021(3) F5 0.041(3) 0.050(3) 0.056(3) 0.002(2) -0.006(3) -0.024(3) F6 0.077(4) 0.086(6) 0.039(3) -0.006(3) 0.029(3) 0.021(3) F6A 0.049(3) 0.058(4) 0.042(2) -0.003(2) 0.023(2) -0.013(2) F5A 0.070(5) 0.027(2) 0.042(2) -0.0117(19) -0.006(3) -0.009(3) F4A 0.051(4) 0.030(2) 0.041(2) 0.0047(19) -0.008(2) 0.016(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 N1 2.142(2) . ? Ag1 N2 2.202(2) . ? N1 C1 1.340(4) . ? N1 C5 1.343(4) . ? C1 C2 1.381(4) . ? C1 H1 0.9500 . ? C2 C3 1.379(4) . ? C2 H2 0.9500 . ? C3 C4 1.393(4) . ? C3 C8 1.513(4) 4_556 ? C4 C5 1.392(4) . ? C4 H4 0.9500 . ? C5 H5 0.9500 . ? N2 C7 1.490(3) 7_566 ? N2 C6 1.495(3) . ? N2 C8 1.497(4) . ? C6 C7 1.511(4) . ? C6 H6A 0.9900 . ? C6 H6B 0.9900 . ? C7 N2 1.490(3) 7_566 ? C7 H7A 0.9900 . ? C7 H7B 0.9900 . ? C8 C3 1.513(4) 4_546 ? C8 H8A 0.9900 . ? C8 H8B 0.9900 . ? Sb1 F3 1.849(2) . ? Sb1 F3 1.849(2) 7_657 ? Sb1 F1 1.856(2) 7_657 ? Sb1 F1 1.856(2) . ? Sb1 F2 1.8808(18) 7_657 ? Sb1 F2 1.8808(18) . ? Sb2 F5A 1.832(4) 2 ? Sb2 F5A 1.832(4) . ? Sb2 F6 1.835(5) 2 ? Sb2 F6 1.835(5) . ? Sb2 F4 1.839(4) . ? Sb2 F4 1.839(4) 2 ? Sb2 F5 1.900(4) 2 ? Sb2 F5 1.900(5) . ? Sb2 F6A 1.907(4) 2 ? Sb2 F6A 1.907(4) . ? Sb2 F4A 1.920(4) 2 ? Sb2 F4A 1.920(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 N1 Ag1 N2 170.06(9) . . ? C1 N1 C5 117.8(2) . . ? C1 N1 Ag1 119.11(19) . . ? C5 N1 Ag1 122.21(18) . . ? N1 C1 C2 122.7(3) . . ? N1 C1 H1 118.6 . . ? C2 C1 H1 118.6 . . ? C3 C2 C1 120.2(3) . . ? C3 C2 H2 119.9 . . ? C1 C2 H2 119.9 . . ? C2 C3 C4 117.2(2) . . ? C2 C3 C8 121.6(2) . 4_556 ? C4 C3 C8 121.1(2) . 4_556 ? C5 C4 C3 119.7(3) . . ? C5 C4 H4 120.2 . . ? C3 C4 H4 120.2 . . ? N1 C5 C4 122.3(3) . . ? N1 C5 H5 118.9 . . ? C4 C5 H5 118.9 . . ? C7 N2 C6 107.6(2) 7_566 . ? C7 N2 C8 107.5(2) 7_566 . ? C6 N2 C8 110.0(2) . . ? C7 N2 Ag1 110.61(15) 7_566 . ? C6 N2 Ag1 111.95(16) . . ? C8 N2 Ag1 109.06(16) . . ? N2 C6 C7 111.5(2) . . ? N2 C6 H6A 109.3 . . ? C7 C6 H6A 109.3 . . ? N2 C6 H6B 109.3 . . ? C7 C6 H6B 109.3 . . ? H6A C6 H6B 108.0 . . ? N2 C7 C6 111.1(2) 7_566 . ? N2 C7 H7A 109.4 7_566 . ? C6 C7 H7A 109.4 . . ? N2 C7 H7B 109.4 7_566 . ? C6 C7 H7B 109.4 . . ? H7A C7 H7B 108.0 . . ? N2 C8 C3 112.5(2) . 4_546 ? N2 C8 H8A 109.1 . . ? C3 C8 H8A 109.1 4_546 . ? N2 C8 H8B 109.1 . . ? C3 C8 H8B 109.1 4_546 . ? H8A C8 H8B 107.8 . . ? F3 Sb1 F3 179.998(1) . 7_657 ? F3 Sb1 F1 90.36(16) . 7_657 ? F3 Sb1 F1 89.64(16) 7_657 7_657 ? F3 Sb1 F1 89.64(16) . . ? F3 Sb1 F1 90.36(16) 7_657 . ? F1 Sb1 F1 180.000(1) 7_657 . ? F3 Sb1 F2 90.96(11) . 7_657 ? F3 Sb1 F2 89.05(11) 7_657 7_657 ? F1 Sb1 F2 90.58(10) 7_657 7_657 ? F1 Sb1 F2 89.42(10) . 7_657 ? F3 Sb1 F2 89.04(11) . . ? F3 Sb1 F2 90.95(11) 7_657 . ? F1 Sb1 F2 89.42(10) 7_657 . ? F1 Sb1 F2 90.58(10) . . ? F2 Sb1 F2 179.999(1) 7_657 . ? F5A Sb2 F5A 76.2(4) 2 . ? F5A Sb2 F6 114.3(3) 2 2 ? F5A Sb2 F6 92.7(4) . 2 ? F5A Sb2 F6 92.7(4) 2 . ? F5A Sb2 F6 114.3(3) . . ? F6 Sb2 F6 146.1(6) 2 . ? F5A Sb2 F4 152.4(3) 2 . ? F5A Sb2 F4 92.5(3) . . ? F6 Sb2 F4 91.0(3) 2 . ? F6 Sb2 F4 68.8(3) . . ? F5A Sb2 F4 92.5(3) 2 2 ? F5A Sb2 F4 152.4(3) . 2 ? F6 Sb2 F4 68.8(3) 2 2 ? F6 Sb2 F4 91.0(3) . 2 ? F4 Sb2 F4 107.6(4) . 2 ? F5A Sb2 F5 28.1(2) 2 2 ? F5A Sb2 F5 91.0(4) . 2 ? F6 Sb2 F5 90.2(3) 2 2 ? F6 Sb2 F5 108.4(3) . 2 ? F4 Sb2 F5 176.2(2) . 2 ? F4 Sb2 F5 69.5(4) 2 2 ? F5A Sb2 F5 91.0(4) 2 . ? F5A Sb2 F5 28.1(2) . . ? F6 Sb2 F5 108.4(3) 2 . ? F6 Sb2 F5 90.2(3) . . ? F4 Sb2 F5 69.5(4) . . ? F4 Sb2 F5 176.2(2) 2 . ? F5 Sb2 F5 113.4(5) 2 . ? F5A Sb2 F6A 90.0(2) 2 2 ? F5A Sb2 F6A 65.0(4) . 2 ? F6 Sb2 F6A 32.7(2) 2 2 ? F6 Sb2 F6A 176.9(3) . 2 ? F4 Sb2 F6A 108.1(3) . 2 ? F4 Sb2 F6A 90.3(4) 2 2 ? F5 Sb2 F6A 74.6(2) 2 2 ? F5 Sb2 F6A 88.3(4) . 2 ? F5A Sb2 F6A 65.0(4) 2 . ? F5A Sb2 F6A 90.0(2) . . ? F6 Sb2 F6A 176.9(3) 2 . ? F6 Sb2 F6A 32.7(2) . . ? F4 Sb2 F6A 90.3(4) . . ? F4 Sb2 F6A 108.1(3) 2 . ? F5 Sb2 F6A 88.3(4) 2 . ? F5 Sb2 F6A 74.6(2) . . ? F6A Sb2 F6A 148.9(4) 2 . ? F5A Sb2 F4A 101.6(2) 2 2 ? F5A Sb2 F4A 176.9(2) . 2 ? F6 Sb2 F4A 90.2(4) 2 2 ? F6 Sb2 F4A 63.4(3) . 2 ? F4 Sb2 F4A 88.6(3) . 2 ? F4 Sb2 F4A 29.0(2) 2 2 ? F5 Sb2 F4A 87.9(3) 2 2 ? F5 Sb2 F4A 150.9(3) . 2 ? F6A Sb2 F4A 117.4(4) 2 2 ? F6A Sb2 F4A 87.0(2) . 2 ? F5A Sb2 F4A 176.9(2) 2 . ? F5A Sb2 F4A 101.6(2) . . ? F6 Sb2 F4A 63.4(3) 2 . ? F6 Sb2 F4A 90.2(4) . . ? F4 Sb2 F4A 29.0(2) . . ? F4 Sb2 F4A 88.6(3) 2 . ? F5 Sb2 F4A 150.9(3) 2 . ? F5 Sb2 F4A 87.9(3) . . ? F6A Sb2 F4A 87.0(2) 2 . ? F6A Sb2 F4A 117.4(4) . . ? F4A Sb2 F4A 80.7(3) 2 . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 30.03 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.478 _refine_diff_density_min -0.930 _refine_diff_density_rms 0.127 data_e370a _database_code_depnum_ccdc_archive 'CCDC 279498' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C8 H10 Ag N2, F6 P' _chemical_formula_sum 'C8 H10 Ag F6 N2 P' _chemical_formula_weight 387.02 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' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 '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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M C2/c _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_as_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' _cell_length_a 12.3034(3) _cell_length_b 10.1981(3) _cell_length_c 19.2165(6) _cell_angle_alpha 90.00 _cell_angle_beta 105.0770(10) _cell_angle_gamma 90.00 _cell_volume 2328.12(11) _cell_formula_units_Z 8 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 9489 _cell_measurement_theta_min 2.20 _cell_measurement_theta_max 29.97 _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas none _exptl_crystal_density_diffrn 2.208 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1504 _exptl_absorpt_coefficient_mu 1.930 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7606 _exptl_absorpt_correction_T_max 0.9097 _exptl_absorpt_process_details sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 20706 _diffrn_reflns_av_R_equivalents 0.0281 _diffrn_reflns_av_sigmaI/netI 0.0212 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 2.63 _diffrn_reflns_theta_max 30.02 _reflns_number_total 3399 _reflns_number_gt 2908 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0450P)^2^+4.7693P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment riding _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3399 _refine_ls_number_parameters 193 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0335 _refine_ls_R_factor_gt 0.0261 _refine_ls_wR_factor_ref 0.0756 _refine_ls_wR_factor_gt 0.0713 _refine_ls_goodness_of_fit_ref 1.001 _refine_ls_restrained_S_all 1.001 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.276157(15) 0.891985(17) 0.634805(9) 0.02438(7) Uani 1 1 d . . . N1 N 0.34751(16) 1.0062(2) 0.72846(10) 0.0233(4) Uani 1 1 d . . . C1 C 0.3738(2) 0.9430(2) 0.79216(13) 0.0268(5) Uani 1 1 d . . . H1 H 0.3737 0.8498 0.7923 0.032 Uiso 1 1 calc R . . C2 C 0.4009(2) 1.0082(2) 0.85736(12) 0.0246(4) Uani 1 1 d . . . H2 H 0.4194 0.9602 0.9012 0.030 Uiso 1 1 calc R . . C3 C 0.40108(18) 1.1442(2) 0.85861(11) 0.0194(4) Uani 1 1 d . . . C4 C 0.3779(2) 1.2098(2) 0.79293(12) 0.0236(4) Uani 1 1 d . . . H4 H 0.3805 1.3029 0.7916 0.028 Uiso 1 1 calc R . . C5 C 0.3510(2) 1.1378(2) 0.72921(13) 0.0248(5) Uani 1 1 d . . . H5 H 0.3344 1.1834 0.6846 0.030 Uiso 1 1 calc R . . N2 N 0.18152(15) 0.75827(17) 0.55193(9) 0.0163(3) Uani 1 1 d . . . C6 C 0.24907(18) 0.6399(2) 0.54515(11) 0.0175(4) Uani 1 1 d . . . H6A H 0.2018 0.5779 0.5105 0.021 Uiso 1 1 calc R . . H6B H 0.2733 0.5954 0.5925 0.021 Uiso 1 1 calc R . . C7 C 0.35160(18) 0.6764(2) 0.51970(11) 0.0184(4) Uani 1 1 d . . . H7A H 0.4001 0.7361 0.5552 0.022 Uiso 1 1 calc R . . H7B H 0.3956 0.5964 0.5164 0.022 Uiso 1 1 calc R . . C8 C 0.07586(18) 0.7179(2) 0.57103(12) 0.0223(4) Uani 1 1 d . . . H8A H 0.0306 0.6617 0.5321 0.027 Uiso 1 1 calc R . . H8B H 0.0309 0.7971 0.5743 0.027 Uiso 1 1 calc R . . P1 P 0.7500 0.2500 1.0000 0.02243(17) Uani 1 2 d S . . F1 F 0.67096(18) 0.35781(19) 0.95329(14) 0.0662(7) Uani 1 1 d . . . F2 F 0.67359(14) 0.13818(16) 0.95152(10) 0.0385(4) Uani 1 1 d . . . F3 F 0.67087(18) 0.2445(3) 1.05298(12) 0.0699(7) Uani 1 1 d . . . P2 P 0.0000 0.92294(8) 0.2500 0.02391(17) Uani 1 2 d S . . F4 F 0.0974(13) 0.8256(13) 0.2905(8) 0.086(4) Uani 0.48(2) 1 d P . . F5 F 0.1006(13) 1.0188(14) 0.2906(6) 0.082(4) Uani 0.48(2) 1 d P . . F6 F 0.0704(11) 0.8932(14) 0.1973(5) 0.101(4) Uani 0.48(2) 1 d P . . F6A F 0.0653(10) 0.9510(13) 0.1883(5) 0.079(3) Uani 0.52(2) 1 d P . . F5A F 0.0602(7) 1.0379(6) 0.2982(4) 0.0444(16) Uani 0.52(2) 1 d P . . F4A F 0.0591(7) 0.8045(8) 0.2995(4) 0.0425(16) Uani 0.52(2) 1 d P . . 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 0.03019(11) 0.02579(11) 0.01662(10) -0.00674(6) 0.00512(7) -0.00073(6) N1 0.0265(10) 0.0262(10) 0.0183(9) -0.0060(7) 0.0077(7) -0.0007(7) C1 0.0328(13) 0.0219(11) 0.0256(12) -0.0047(9) 0.0075(9) 0.0040(9) C2 0.0312(12) 0.0254(11) 0.0168(10) 0.0000(8) 0.0056(8) 0.0053(9) C3 0.0170(9) 0.0260(10) 0.0160(9) -0.0055(8) 0.0056(7) -0.0023(8) C4 0.0310(12) 0.0223(11) 0.0203(10) -0.0043(8) 0.0119(9) -0.0045(9) C5 0.0298(12) 0.0282(11) 0.0182(10) -0.0018(9) 0.0096(8) -0.0018(9) N2 0.0198(8) 0.0179(8) 0.0111(7) 0.0029(6) 0.0041(6) 0.0026(6) C6 0.0233(10) 0.0148(9) 0.0143(9) 0.0028(7) 0.0045(7) 0.0025(7) C7 0.0221(10) 0.0182(9) 0.0140(9) 0.0038(7) 0.0029(7) 0.0044(8) C8 0.0201(10) 0.0296(11) 0.0172(10) 0.0069(8) 0.0049(7) 0.0017(8) P1 0.0228(4) 0.0188(4) 0.0231(4) 0.0031(3) 0.0012(3) -0.0030(3) F1 0.0489(12) 0.0310(9) 0.0918(17) 0.0228(10) -0.0302(11) -0.0082(8) F2 0.0369(9) 0.0285(7) 0.0423(9) -0.0041(7) -0.0035(7) -0.0081(7) F3 0.0560(13) 0.113(2) 0.0481(12) -0.0211(13) 0.0276(10) -0.0348(13) P2 0.0250(4) 0.0201(4) 0.0232(4) 0.000 0.0000(3) 0.000 F4 0.073(7) 0.055(6) 0.090(7) -0.039(5) -0.048(5) 0.040(5) F5 0.069(7) 0.081(6) 0.070(5) 0.035(4) -0.026(4) -0.046(5) F6 0.133(7) 0.106(7) 0.098(5) 0.057(5) 0.093(5) 0.064(6) F6A 0.106(6) 0.093(6) 0.054(4) -0.014(4) 0.050(4) -0.049(5) F5A 0.052(4) 0.028(2) 0.043(2) -0.0219(19) -0.004(2) -0.007(2) F4A 0.052(4) 0.032(2) 0.031(2) 0.0073(17) -0.013(2) 0.010(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 N1 2.1316(19) . ? Ag1 N2 2.1879(18) . ? N1 C5 1.343(3) . ? N1 C1 1.346(3) . ? C1 C2 1.381(3) . ? C1 H1 0.9500 . ? C2 C3 1.387(3) . ? C2 H2 0.9500 . ? C3 C4 1.391(3) . ? C3 C8 1.508(3) 4_556 ? C4 C5 1.392(3) . ? C4 H4 0.9500 . ? C5 H5 0.9500 . ? N2 C7 1.487(3) 7_566 ? N2 C6 1.491(3) . ? N2 C8 1.497(3) . ? C6 C7 1.513(3) . ? C6 H6A 0.9900 . ? C6 H6B 0.9900 . ? C7 N2 1.488(3) 7_566 ? C7 H7A 0.9900 . ? C7 H7B 0.9900 . ? C8 C3 1.508(3) 4_546 ? C8 H8A 0.9900 . ? C8 H8B 0.9900 . ? P1 F3 1.5821(19) . ? P1 F3 1.5821(19) 7_657 ? P1 F1 1.5831(18) . ? P1 F1 1.5832(18) 7_657 ? P1 F2 1.6114(16) . ? P1 F2 1.6114(16) 7_657 ? 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 N1 Ag1 N2 168.34(7) . . ? C5 N1 C1 118.0(2) . . ? C5 N1 Ag1 124.05(16) . . ? C1 N1 Ag1 117.06(16) . . ? N1 C1 C2 122.6(2) . . ? N1 C1 H1 118.7 . . ? C2 C1 H1 118.7 . . ? C1 C2 C3 119.8(2) . . ? C1 C2 H2 120.1 . . ? C3 C2 H2 120.1 . . ? C2 C3 C4 117.8(2) . . ? C2 C3 C8 120.9(2) . 4_556 ? C4 C3 C8 121.4(2) . 4_556 ? C3 C4 C5 119.3(2) . . ? C3 C4 H4 120.3 . . ? C5 C4 H4 120.3 . . ? N1 C5 C4 122.5(2) . . ? N1 C5 H5 118.8 . . ? C4 C5 H5 118.8 . . ? C7 N2 C6 107.86(15) 7_566 . ? C7 N2 C8 107.67(16) 7_566 . ? C6 N2 C8 109.75(17) . . ? C7 N2 Ag1 111.12(13) 7_566 . ? C6 N2 Ag1 111.42(12) . . ? C8 N2 Ag1 108.94(13) . . ? N2 C6 C7 111.05(17) . . ? N2 C6 H6A 109.4 . . ? C7 C6 H6A 109.4 . . ? N2 C6 H6B 109.4 . . ? C7 C6 H6B 109.4 . . ? H6A C6 H6B 108.0 . . ? N2 C7 C6 111.02(16) 7_566 . ? N2 C7 H7A 109.4 7_566 . ? C6 C7 H7A 109.4 . . ? N2 C7 H7B 109.4 7_566 . ? C6 C7 H7B 109.4 . . ? H7A C7 H7B 108.0 . . ? N2 C8 C3 112.57(17) . 4_546 ? N2 C8 H8A 109.1 . . ? C3 C8 H8A 109.1 4_546 . ? N2 C8 H8B 109.1 . . ? C3 C8 H8B 109.1 4_546 . ? H8A C8 H8B 107.8 . . ? F3 P1 F3 179.998(2) . 7_657 ? F3 P1 F1 89.96(15) . . ? F3 P1 F1 90.04(15) 7_657 . ? F3 P1 F1 90.04(15) . 7_657 ? F3 P1 F1 89.96(15) 7_657 7_657 ? F1 P1 F1 180.000(1) . 7_657 ? F3 P1 F2 89.03(11) . . ? F3 P1 F2 90.97(11) 7_657 . ? F1 P1 F2 89.07(10) . . ? F1 P1 F2 90.93(10) 7_657 . ? F3 P1 F2 90.97(11) . 7_657 ? F3 P1 F2 89.03(11) 7_657 7_657 ? F1 P1 F2 90.94(10) . 7_657 ? F1 P1 F2 89.06(10) 7_657 7_657 ? F2 P1 F2 180.00(12) . 7_657 ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 30.02 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.069 _refine_diff_density_min -0.534 _refine_diff_density_rms 0.099 data_e372a _database_code_depnum_ccdc_archive 'CCDC 279499' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C8 H10 Ag N2, B F4' _chemical_formula_sum 'C8 H10 Ag B F4 N2' _chemical_formula_weight 328.86 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' B B 0.0013 0.0007 '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' F F 0.0171 0.0103 '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' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M Pbca _symmetry_space_group_name_Hall '-P 2ac 2ab' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'x, -y-1/2, z-1/2' '-x-1/2, y-1/2, z' _cell_length_a 11.830(2) _cell_length_b 10.034(2) _cell_length_c 17.741(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2105.9(7) _cell_formula_units_Z 8 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.09 _exptl_crystal_size_min 0.09 _exptl_crystal_density_meas none _exptl_crystal_density_diffrn 2.074 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1280 _exptl_absorpt_coefficient_mu 1.941 _exptl_absorpt_correction_type multi_scan _exptl_absorpt_correction_T_min 0.8005 _exptl_absorpt_correction_T_max 0.8447 _exptl_absorpt_process_details sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 41497 _diffrn_reflns_av_R_equivalents 0.0309 _diffrn_reflns_av_sigmaI/netI 0.0142 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 2.87 _diffrn_reflns_theta_max 30.07 _reflns_number_total 3082 _reflns_number_gt 2636 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker XSCANS' _computing_cell_refinement 'Bruker XSCANS' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0374P)^2^+1.3814P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment riding _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3082 _refine_ls_number_parameters 173 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0292 _refine_ls_R_factor_gt 0.0228 _refine_ls_wR_factor_ref 0.0638 _refine_ls_wR_factor_gt 0.0595 _refine_ls_goodness_of_fit_ref 1.020 _refine_ls_restrained_S_all 1.020 _refine_ls_shift/su_max 0.023 _refine_ls_shift/su_mean 0.005 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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.075461(12) 0.135314(14) 0.636462(8) 0.02484(6) Uani 1 1 d . . 1 N1 N 0.17180(13) 0.16022(16) 0.73868(9) 0.0242(3) Uani 1 1 d . . 1 C1 C 0.13158(16) 0.11226(18) 0.80378(11) 0.0249(4) Uani 1 1 d . . 1 H1 H 0.0608 0.0675 0.8034 0.030 Uiso 1 1 calc R . 1 C2 C 0.18853(17) 0.12490(18) 0.87159(10) 0.0234(4) Uani 1 1 d . . 1 H2 H 0.1571 0.0892 0.9165 0.028 Uiso 1 1 calc R . 1 C3 C 0.29213(15) 0.19040(17) 0.87332(9) 0.0200(3) Uani 1 1 d . . 1 C4 C 0.33261(15) 0.24232(19) 0.80574(11) 0.0257(4) Uani 1 1 d . . 1 H4 H 0.4021 0.2898 0.8047 0.031 Uiso 1 1 calc R . 1 C5 C 0.27160(16) 0.22458(19) 0.74028(10) 0.0273(4) Uani 1 1 d . . 1 H5 H 0.3012 0.2592 0.6945 0.033 Uiso 1 1 calc R . 1 C6 C 0.35621(15) 0.20634(17) 0.94629(10) 0.0227(3) Uani 1 1 d . . 1 H6A H 0.3883 0.2974 0.9486 0.027 Uiso 1 1 calc R . 1 H6B H 0.3030 0.1963 0.9890 0.027 Uiso 1 1 calc R . 1 C7 C 0.00278(15) 0.13082(16) 0.47033(9) 0.0188(3) Uani 1 1 d . . 1 H7A H 0.0345 0.2221 0.4689 0.023 Uiso 1 1 calc R . 1 H7B H -0.0558 0.1241 0.4306 0.023 Uiso 1 1 calc R . 1 N2 N -0.05002(12) 0.10680(14) 0.54539(8) 0.0178(3) Uani 1 1 d . . 1 C8 C -0.09589(14) -0.03099(16) 0.54556(9) 0.0189(3) Uani 1 1 d . . 1 H8A H -0.1555 -0.0390 0.5067 0.023 Uiso 1 1 calc R . 1 H8B H -0.1303 -0.0504 0.5952 0.023 Uiso 1 1 calc R . 1 B1 B 0.1369(2) 0.4686(2) 0.60807(15) 0.0321(5) Uani 1 1 d . A 1 F1 F 0.09808(15) 0.44545(17) 0.68047(10) 0.0614(5) Uani 1 1 d . A 1 F2 F 0.25483(17) 0.4522(3) 0.61323(12) 0.0491(7) Uani 0.716(5) 1 d P A 1 F3 F 0.0976(3) 0.3790(3) 0.55893(18) 0.0661(10) Uani 0.716(5) 1 d P A 1 F4 F 0.1133(4) 0.5972(2) 0.59166(15) 0.0598(9) Uani 0.716(5) 1 d P A 1 F2A F 0.1941(9) 0.3592(7) 0.5805(4) 0.085(4) Uani 0.284(5) 1 d P A 1 F3A F 0.0317(7) 0.4634(13) 0.5683(6) 0.120(4) Uani 0.284(5) 1 d P A 1 F4A F 0.1890(7) 0.5783(6) 0.5829(3) 0.0514(19) Uani 0.284(5) 1 d P A 1 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 0.02566(9) 0.02997(9) 0.01889(9) -0.00105(5) -0.00697(5) -0.00024(5) N1 0.0231(7) 0.0292(7) 0.0203(7) 0.0008(6) -0.0038(6) 0.0004(6) C1 0.0193(8) 0.0306(9) 0.0249(9) 0.0009(7) -0.0031(7) -0.0033(7) C2 0.0201(8) 0.0295(9) 0.0206(8) 0.0020(6) 0.0006(6) 0.0014(6) C3 0.0184(8) 0.0212(7) 0.0203(8) -0.0019(6) -0.0026(6) 0.0029(6) C4 0.0204(8) 0.0304(8) 0.0262(9) 0.0048(7) -0.0033(7) -0.0041(7) C5 0.0255(9) 0.0365(9) 0.0199(8) 0.0060(7) -0.0007(7) -0.0027(8) C6 0.0225(8) 0.0257(8) 0.0198(8) -0.0046(6) -0.0039(6) 0.0049(6) C7 0.0197(8) 0.0219(7) 0.0147(7) 0.0029(5) 0.0023(6) -0.0021(6) N2 0.0184(6) 0.0203(6) 0.0148(6) 0.0018(5) 0.0019(5) -0.0004(5) C8 0.0175(7) 0.0224(7) 0.0169(7) 0.0019(6) 0.0017(6) -0.0036(6) B1 0.0299(11) 0.0261(10) 0.0403(13) 0.0035(9) 0.0071(10) -0.0022(8) F1 0.0631(10) 0.0633(10) 0.0577(10) 0.0212(8) 0.0318(8) 0.0314(8) F2 0.0291(10) 0.0689(16) 0.0493(12) 0.0000(10) 0.0099(9) -0.0090(9) F3 0.074(2) 0.0583(17) 0.0657(18) -0.0162(12) -0.0158(15) -0.0257(16) F4 0.099(3) 0.0318(10) 0.0482(14) 0.0147(10) 0.0038(16) 0.0094(13) F2A 0.129(9) 0.064(4) 0.063(5) 0.029(4) 0.064(6) 0.057(5) F3A 0.047(4) 0.183(11) 0.130(8) -0.077(8) -0.007(5) -0.017(6) F4A 0.069(5) 0.047(3) 0.038(3) -0.001(2) 0.016(3) -0.022(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 N1 2.1563(15) . ? Ag1 N2 2.2127(15) . ? N1 C1 1.339(2) . ? N1 C5 1.346(2) . ? C1 C2 1.385(3) . ? C1 H1 0.9500 . ? C2 C3 1.391(3) . ? C2 H2 0.9500 . ? C3 C4 1.392(2) . ? C3 C6 1.509(2) . ? C4 C5 1.379(3) . ? C4 H4 0.9500 . ? C5 H5 0.9500 . ? C6 N2 1.500(2) 6_657 ? C6 H6A 0.9900 . ? C6 H6B 0.9900 . ? C7 N2 1.490(2) . ? C7 C8 1.515(2) 5_556 ? C7 H7A 0.9900 . ? C7 H7B 0.9900 . ? N2 C8 1.485(2) . ? N2 C6 1.500(2) 6_557 ? C8 C7 1.515(2) 5_556 ? C8 H8A 0.9900 . ? C8 H8B 0.9900 . ? B1 F3 1.336(3) . ? B1 F4 1.352(3) . ? B1 F1 1.384(3) . ? B1 F2 1.408(3) . ? 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 N1 Ag1 N2 169.62(6) . . ? C1 N1 C5 117.78(16) . . ? C1 N1 Ag1 119.73(12) . . ? C5 N1 Ag1 122.48(12) . . ? N1 C1 C2 122.93(17) . . ? N1 C1 H1 118.5 . . ? C2 C1 H1 118.5 . . ? C1 C2 C3 119.42(17) . . ? C1 C2 H2 120.3 . . ? C3 C2 H2 120.3 . . ? C2 C3 C4 117.45(16) . . ? C2 C3 C6 120.78(16) . . ? C4 C3 C6 121.76(16) . . ? C5 C4 C3 119.79(16) . . ? C5 C4 H4 120.1 . . ? C3 C4 H4 120.1 . . ? N1 C5 C4 122.61(17) . . ? N1 C5 H5 118.7 . . ? C4 C5 H5 118.7 . . ? N2 C6 C3 112.66(14) 6_657 . ? N2 C6 H6A 109.1 6_657 . ? C3 C6 H6A 109.1 . . ? N2 C6 H6B 109.1 6_657 . ? C3 C6 H6B 109.1 . . ? H6A C6 H6B 107.8 . . ? N2 C7 C8 111.34(13) . 5_556 ? N2 C7 H7A 109.4 . . ? C8 C7 H7A 109.4 5_556 . ? N2 C7 H7B 109.4 . . ? C8 C7 H7B 109.4 5_556 . ? H7A C7 H7B 108.0 . . ? C8 N2 C7 107.78(13) . . ? C8 N2 C6 110.46(13) . 6_557 ? C7 N2 C6 106.87(13) . 6_557 ? C8 N2 Ag1 111.34(10) . . ? C7 N2 Ag1 110.51(10) . . ? C6 N2 Ag1 109.76(10) 6_557 . ? N2 C8 C7 110.46(13) . 5_556 ? N2 C8 H8A 109.6 . . ? C7 C8 H8A 109.6 5_556 . ? N2 C8 H8B 109.6 . . ? C7 C8 H8B 109.6 5_556 . ? H8A C8 H8B 108.1 . . ? F3 B1 F4 115.5(3) . . ? F3 B1 F1 112.2(2) . . ? F4 B1 F1 107.0(2) . . ? F3 B1 F2 108.0(2) . . ? F4 B1 F2 109.3(3) . . ? F1 B1 F2 104.4(2) . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 30.07 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.090 _refine_diff_density_min -0.856 _refine_diff_density_rms 0.082