data_ic9751 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C71 H49 Ag B F4 N4 O' _chemical_formula_weight 1168.82 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' 'O' 'O' 0.0106 0.0060 '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 Monoclinic _symmetry_space_group_name_H-M 'C 2/c' 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 25.7092(12) _cell_length_b 14.4164(6) _cell_length_c 15.6865(7) _cell_angle_alpha 90.00 _cell_angle_beta 109.220(2) _cell_angle_gamma 90.00 _cell_volume 5489.9(4) _cell_formula_units_Z 4 _cell_measurement_temperature 150(1) _cell_measurement_reflns_used 1543 _cell_measurement_theta_min 2.31 _cell_measurement_theta_max 19.90 _exptl_crystal_description plate _exptl_crystal_colour colorless _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas 0 _exptl_crystal_density_diffrn 1.414 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2396 _exptl_absorpt_coefficient_mu 0.432 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.9186 _exptl_absorpt_correction_T_max 0.9787 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(1) _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 'BRUKER SMART ApexCCD area detector' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 17879 _diffrn_reflns_av_R_equivalents 0.0649 _diffrn_reflns_av_sigmaI/netI 0.0744 _diffrn_reflns_limit_h_min -30 _diffrn_reflns_limit_h_max 30 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.64 _diffrn_reflns_theta_max 25.00 _reflns_number_total 4842 _reflns_number_gt 2725 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SAINT' _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^)+(0.1055P)^2^+8.6744P] 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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4842 _refine_ls_number_parameters 425 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1236 _refine_ls_R_factor_gt 0.0677 _refine_ls_wR_factor_ref 0.2136 _refine_ls_wR_factor_gt 0.1774 _refine_ls_goodness_of_fit_ref 1.022 _refine_ls_restrained_S_all 1.022 _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 Ag Ag 0.50078(13) 0.47716(11) 0.5020(2) 0.0596(6) Uani 0.50 1 d P . . N1 N 0.45651(17) 0.5284(4) 0.5934(3) 0.0572(13) Uani 1 1 d . . . N2 N 0.0247(4) 0.8033(6) 0.5723(6) 0.117(3) Uani 1 1 d . . . C1 C 0.4344(2) 0.4595(4) 0.6276(4) 0.0582(15) Uani 1 1 d . . . H1A H 0.4368 0.3979 0.6076 0.070 Uiso 1 1 calc R . . C2 C 0.4083(2) 0.4737(4) 0.6900(4) 0.0553(15) Uani 1 1 d . . . H2A H 0.3928 0.4226 0.7115 0.066 Uiso 1 1 calc R . . C3 C 0.40435(19) 0.5629(4) 0.7224(3) 0.0435(12) Uani 1 1 d . . . C4 C 0.4267(2) 0.6330(4) 0.6849(3) 0.0520(14) Uani 1 1 d . . . H4A H 0.4247 0.6955 0.7028 0.062 Uiso 1 1 calc R . . C5 C 0.4513(2) 0.6130(5) 0.6226(4) 0.0593(16) Uani 1 1 d . . . H5A H 0.4658 0.6633 0.5983 0.071 Uiso 1 1 calc R . . C6 C 0.37847(19) 0.5809(3) 0.7923(3) 0.0404(12) Uani 1 1 d . . . C7 C 0.3996(2) 0.6505(4) 0.8559(3) 0.0485(13) Uani 1 1 d . . . H7A H 0.4310 0.6844 0.8543 0.058 Uiso 1 1 calc R . . C8 C 0.3762(2) 0.6716(4) 0.9212(3) 0.0512(14) Uani 1 1 d . . . H8A H 0.3905 0.7207 0.9627 0.061 Uiso 1 1 calc R . . C9 C 0.3317(2) 0.6201(3) 0.9253(3) 0.0421(12) Uani 1 1 d . . . C10 C 0.3102(2) 0.5496(3) 0.8622(3) 0.0394(11) Uani 1 1 d . . . C11 C 0.3329(2) 0.5293(3) 0.7962(3) 0.0402(12) Uani 1 1 d . . . H11A H 0.3179 0.4811 0.7538 0.048 Uiso 1 1 calc R . . C12 C 0.2997(2) 0.6227(4) 0.9882(3) 0.0464(13) Uani 1 1 d . . . C13 C 0.3053(3) 0.6814(4) 1.0626(3) 0.0606(16) Uani 1 1 d . . . H13A H 0.3327 0.7284 1.0795 0.073 Uiso 1 1 calc R . . C14 C 0.2691(3) 0.6672(5) 1.1095(4) 0.0694(19) Uani 1 1 d . . . H14A H 0.2717 0.7053 1.1602 0.083 Uiso 1 1 calc R . . C15 C 0.2295(3) 0.5998(5) 1.0851(4) 0.0699(19) Uani 1 1 d . . . H15A H 0.2054 0.5922 1.1194 0.084 Uiso 1 1 calc R . . C16 C 0.2235(3) 0.5422(4) 1.0116(3) 0.0546(14) Uani 1 1 d . . . H16A H 0.1958 0.4957 0.9944 0.065 Uiso 1 1 calc R . . C17 C 0.2603(2) 0.5560(4) 0.9641(3) 0.0448(13) Uani 1 1 d . . . C18 C 0.2620(2) 0.5015(3) 0.8810(3) 0.0406(11) Uani 1 1 d . . . C19 C 0.2703(2) 0.3978(4) 0.8964(3) 0.0447(12) Uani 1 1 d . . . C20 C 0.3125(3) 0.3514(4) 0.9595(4) 0.0714(19) Uani 1 1 d . . . H20A H 0.3414 0.3851 1.0017 0.086 Uiso 1 1 calc R . . C21 C 0.3125(4) 0.2560(5) 0.9609(5) 0.098(3) Uani 1 1 d . . . H21A H 0.3415 0.2236 1.0041 0.118 Uiso 1 1 calc R . . C22 C 0.2700(3) 0.2069(5) 0.8993(5) 0.089(2) Uani 1 1 d . . . H22A H 0.2709 0.1410 0.9004 0.107 Uiso 1 1 calc R . . C23 C 0.2264(3) 0.2520(4) 0.8362(4) 0.0612(16) Uani 1 1 d . . . H23A H 0.1974 0.2181 0.7947 0.073 Uiso 1 1 calc R . . C24 C 0.2267(2) 0.3487(3) 0.8357(3) 0.0428(12) Uani 1 1 d . . . C25 C 0.1871(2) 0.4151(4) 0.7812(3) 0.0420(12) Uani 1 1 d . . . C26 C 0.2067(2) 0.5046(3) 0.8039(3) 0.0395(11) Uani 1 1 d . . . C27 C 0.1766(2) 0.5810(4) 0.7637(3) 0.0460(13) Uani 1 1 d . . . H27A H 0.1909 0.6415 0.7803 0.055 Uiso 1 1 calc R . . C28 C 0.1246(2) 0.5693(4) 0.6980(4) 0.0528(14) Uani 1 1 d . A . C29 C 0.1053(2) 0.4789(4) 0.6758(4) 0.0567(15) Uani 1 1 d . . . H29A H 0.0702 0.4699 0.6316 0.068 Uiso 1 1 calc R . . C30 C 0.1356(2) 0.4027(4) 0.7157(3) 0.0503(13) Uani 1 1 d . . . H30A H 0.1216 0.3420 0.6989 0.060 Uiso 1 1 calc R . . C31 C 0.0903(3) 0.6505(6) 0.6563(5) 0.0698(18) Uani 1 1 d . . . C32 C 0.1167(6) 0.7429(9) 0.6547(8) 0.055(3) Uani 0.50 1 d P A 1 H32A H 0.1555 0.7492 0.6800 0.066 Uiso 0.50 1 calc PR A 1 C33 C 0.0852(7) 0.8180(12) 0.6170(10) 0.063(4) Uani 0.50 1 d P A 1 H33A H 0.1011 0.8777 0.6192 0.075 Uiso 0.50 1 calc PR A 1 C34 C 0.0062(6) 0.7348(12) 0.6019(11) 0.086(4) Uani 0.50 1 d P A 1 H34A H -0.0314 0.7361 0.5980 0.103 Uiso 0.50 1 calc PR A 1 C35 C 0.0373(5) 0.6556(10) 0.6407(9) 0.074(4) Uani 0.50 1 d P A 1 H35A H 0.0190 0.6041 0.6559 0.088 Uiso 0.50 1 calc PR A 1 C35' C 0.0885(9) 0.7260(16) 0.6846(12) 0.103(7) Uani 0.50 1 d P A 2 H35B H 0.1107 0.7390 0.7450 0.124 Uiso 0.50 1 calc PR A 2 C32' C 0.0514(5) 0.6357(9) 0.5572(9) 0.073(4) Uani 0.50 1 d P A 2 H32B H 0.0493 0.5786 0.5259 0.088 Uiso 0.50 1 calc PR A 2 C33' C 0.0205(6) 0.7119(10) 0.5189(9) 0.076(4) Uani 0.50 1 d P A 2 H33B H -0.0039 0.7084 0.4584 0.091 Uiso 0.50 1 calc PR A 2 C34' C 0.0549(9) 0.7991(15) 0.6328(18) 0.109(8) Uani 0.50 1 d P A 2 H34B H 0.0630 0.8574 0.6624 0.130 Uiso 0.50 1 calc PR A 2 B1 B 0.0198(6) 0.3675(13) 0.792(2) 0.117(10) Uani 0.50 1 d P . . F1 F -0.0183(2) 0.3253(3) 0.8051(5) 0.142(2) Uani 1 1 d . . . F2 F 0.0734(4) 0.3470(6) 0.8581(7) 0.110(3) Uani 0.50 1 d P . . F3 F -0.009(3) 0.4598(7) 0.732(7) 0.38(3) Uani 0.50 1 d P . . O1 O -0.0884(7) 0.6302(11) 0.5976(11) 0.155(5) Uiso 0.50 1 d P . . H1B H -0.0657 0.6525 0.6448 0.232 Uiso 1 1 calc R . . C36 C -0.0801(14) 0.527(2) 0.596(2) 0.208(13) Uiso 0.50 1 d P . . H36A H -0.0454 0.5101 0.6425 0.311 Uiso 0.50 1 calc PR . . H36B H -0.0789 0.5086 0.5366 0.311 Uiso 0.50 1 calc PR . . H36C H -0.1107 0.4953 0.6079 0.311 Uiso 0.50 1 calc PR . . 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 Ag 0.0427(4) 0.0932(18) 0.0490(5) 0.0132(14) 0.0235(3) 0.0145(14) N1 0.034(2) 0.093(4) 0.046(2) 0.006(3) 0.014(2) 0.000(2) N2 0.090(6) 0.115(7) 0.134(7) 0.049(6) 0.020(5) 0.052(5) C1 0.062(4) 0.068(4) 0.056(3) -0.010(3) 0.034(3) 0.001(3) C2 0.056(3) 0.055(4) 0.063(3) -0.003(3) 0.030(3) -0.010(3) C3 0.030(2) 0.053(3) 0.043(3) -0.001(3) 0.006(2) 0.000(2) C4 0.043(3) 0.059(4) 0.049(3) 0.010(3) 0.008(3) -0.008(3) C5 0.042(3) 0.082(5) 0.050(3) 0.013(3) 0.011(3) -0.012(3) C6 0.036(3) 0.044(3) 0.039(3) -0.001(2) 0.008(2) 0.001(2) C7 0.041(3) 0.046(3) 0.054(3) -0.007(3) 0.009(2) 0.000(2) C8 0.049(3) 0.051(3) 0.044(3) -0.015(3) 0.001(2) 0.003(3) C9 0.041(3) 0.043(3) 0.038(3) -0.002(2) 0.006(2) 0.010(2) C10 0.045(3) 0.038(3) 0.035(2) -0.002(2) 0.013(2) 0.004(2) C11 0.046(3) 0.034(3) 0.040(3) -0.002(2) 0.013(2) 0.003(2) C12 0.055(3) 0.050(3) 0.031(2) 0.004(2) 0.010(2) 0.015(3) C13 0.071(4) 0.067(4) 0.039(3) -0.011(3) 0.012(3) 0.015(3) C14 0.097(5) 0.071(5) 0.040(3) -0.006(3) 0.023(3) 0.030(4) C15 0.099(5) 0.077(5) 0.048(3) 0.013(3) 0.044(4) 0.036(4) C16 0.070(4) 0.057(4) 0.044(3) 0.010(3) 0.027(3) 0.011(3) C17 0.060(3) 0.044(3) 0.034(3) 0.006(2) 0.018(2) 0.017(3) C18 0.048(3) 0.043(3) 0.034(2) 0.000(2) 0.019(2) 0.006(2) C19 0.055(3) 0.042(3) 0.040(3) 0.005(2) 0.020(2) 0.010(3) C20 0.089(5) 0.050(4) 0.056(4) 0.000(3) -0.002(3) 0.022(3) C21 0.130(7) 0.049(4) 0.077(5) -0.002(4) -0.018(5) 0.034(4) C22 0.128(7) 0.046(4) 0.077(4) 0.005(4) 0.011(5) 0.021(4) C23 0.082(4) 0.043(3) 0.056(3) -0.003(3) 0.020(3) -0.002(3) C24 0.055(3) 0.040(3) 0.038(3) 0.006(2) 0.022(2) 0.007(3) C25 0.047(3) 0.045(3) 0.041(3) 0.001(2) 0.024(2) 0.000(2) C26 0.044(3) 0.045(3) 0.036(2) 0.004(2) 0.022(2) 0.006(2) C27 0.051(3) 0.045(3) 0.049(3) 0.015(2) 0.026(3) 0.012(3) C28 0.047(3) 0.060(4) 0.056(3) 0.014(3) 0.023(3) 0.013(3) C29 0.043(3) 0.072(4) 0.057(3) 0.006(3) 0.019(3) 0.006(3) C30 0.047(3) 0.055(4) 0.054(3) 0.004(3) 0.024(3) -0.002(3) C31 0.054(4) 0.088(5) 0.068(4) 0.027(4) 0.023(3) 0.021(4) C32 0.068(9) 0.047(8) 0.042(7) 0.005(6) 0.009(6) 0.021(7) C33 0.066(10) 0.052(9) 0.058(8) -0.001(6) 0.004(8) 0.017(8) C34 0.071(10) 0.094(12) 0.087(10) 0.023(9) 0.019(9) 0.011(9) C35 0.052(7) 0.073(9) 0.080(9) 0.014(7) 0.002(7) 0.024(7) C35' 0.116(17) 0.105(15) 0.065(11) -0.024(11) -0.002(10) 0.049(14) C32' 0.054(7) 0.072(9) 0.083(9) 0.015(7) 0.009(7) -0.006(7) C33' 0.068(8) 0.065(9) 0.075(9) 0.024(8) -0.002(7) 0.007(7) C34' 0.077(15) 0.068(14) 0.14(2) -0.025(13) -0.015(14) 0.038(13) B1 0.048(10) 0.075(13) 0.26(4) 0.029(16) 0.101(15) 0.022(7) F1 0.094(4) 0.090(4) 0.244(7) 0.000(4) 0.058(4) 0.002(3) F2 0.092(6) 0.086(6) 0.159(9) 0.011(6) 0.052(6) 0.008(5) F3 0.36(5) 0.065(6) 0.94(9) -0.12(4) 0.53(6) -0.06(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 Ag Ag 0.661(3) 5_666 ? Ag N1 2.129(6) 5_666 ? Ag N1 2.230(6) . ? N1 C5 1.326(7) . ? N1 C1 1.341(8) . ? N1 Ag 2.129(6) 5_666 ? N2 C34' 1.01(2) . ? N2 C34 1.249(16) . ? N2 C33 1.495(18) . ? N2 C33' 1.547(16) . ? C1 C2 1.373(8) . ? C2 C3 1.398(7) . ? C3 C4 1.385(7) . ? C3 C6 1.481(7) . ? C4 C5 1.358(8) . ? C6 C7 1.392(7) . ? C6 C11 1.407(7) . ? C7 C8 1.382(7) . ? C8 C9 1.384(7) . ? C9 C10 1.400(7) . ? C9 C12 1.477(7) . ? C10 C11 1.376(7) . ? C10 C18 1.532(7) . ? C12 C17 1.359(8) . ? C12 C13 1.409(7) . ? C13 C14 1.379(9) . ? C14 C15 1.368(10) . ? C15 C16 1.388(8) . ? C16 C17 1.398(7) . ? C17 C18 1.535(7) . ? C18 C19 1.518(7) . ? C18 C26 1.534(7) . ? C19 C20 1.378(7) . ? C19 C24 1.399(7) . ? C20 C21 1.376(8) . ? C21 C22 1.389(10) . ? C22 C23 1.389(9) . ? C23 C24 1.394(7) . ? C24 C25 1.453(7) . ? C25 C26 1.389(7) . ? C25 C30 1.394(7) . ? C26 C27 1.374(7) . ? C27 C28 1.404(7) . ? C28 C29 1.396(8) . ? C28 C31 1.482(8) . ? C29 C30 1.373(8) . ? C31 C35' 1.182(19) . ? C31 C35 1.304(14) . ? C31 C32 1.499(17) . ? C31 C32' 1.561(15) . ? C32 C33 1.36(2) . ? C34 C35 1.412(19) . ? C35' C34' 1.43(3) . ? C32' C33' 1.372(17) . ? B1 F1 1.223(16) . ? B1 B1 1.38(6) 2_556 ? B1 F3 1.39(3) 2_556 ? B1 F2 1.45(2) . ? B1 F1 1.63(3) 2_556 ? B1 F3 1.66(7) . ? F1 B1 1.63(3) 2_556 ? F3 F3 0.6(2) 2_556 ? F3 B1 1.39(3) 2_556 ? O1 C36 1.50(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 Ag Ag N1 90.1(6) 5_666 5_666 ? Ag Ag N1 72.7(5) 5_666 . ? N1 Ag N1 162.75(9) 5_666 . ? C5 N1 C1 116.1(5) . . ? C5 N1 Ag 114.3(4) . 5_666 ? C1 N1 Ag 129.6(5) . 5_666 ? C5 N1 Ag 131.1(4) . . ? C1 N1 Ag 112.7(4) . . ? Ag N1 Ag 17.25(8) 5_666 . ? C34' N2 C34 82.7(18) . . ? C34' N2 C33 37.7(18) . . ? C34 N2 C33 113.7(11) . . ? C34' N2 C33' 110.6(14) . . ? C34 N2 C33' 63.9(10) . . ? C33 N2 C33' 104.5(9) . . ? N1 C1 C2 123.0(6) . . ? C1 C2 C3 120.5(5) . . ? C4 C3 C2 115.2(5) . . ? C4 C3 C6 122.5(5) . . ? C2 C3 C6 122.3(5) . . ? C5 C4 C3 120.6(6) . . ? N1 C5 C4 124.5(6) . . ? C7 C6 C11 119.0(5) . . ? C7 C6 C3 119.5(5) . . ? C11 C6 C3 121.5(4) . . ? C8 C7 C6 121.8(5) . . ? C7 C8 C9 119.1(5) . . ? C8 C9 C10 119.7(5) . . ? C8 C9 C12 131.9(5) . . ? C10 C9 C12 108.4(4) . . ? C11 C10 C9 121.4(5) . . ? C11 C10 C18 128.2(4) . . ? C9 C10 C18 110.3(4) . . ? C10 C11 C6 119.0(4) . . ? C17 C12 C13 121.2(5) . . ? C17 C12 C9 109.0(4) . . ? C13 C12 C9 129.8(5) . . ? C14 C13 C12 116.8(6) . . ? C15 C14 C13 121.8(6) . . ? C14 C15 C16 121.8(6) . . ? C15 C16 C17 116.6(6) . . ? C12 C17 C16 121.8(5) . . ? C12 C17 C18 111.8(4) . . ? C16 C17 C18 126.4(5) . . ? C19 C18 C10 113.4(4) . . ? C19 C18 C26 101.5(4) . . ? C10 C18 C26 115.7(4) . . ? C19 C18 C17 114.3(4) . . ? C10 C18 C17 100.6(4) . . ? C26 C18 C17 112.0(4) . . ? C20 C19 C24 120.6(5) . . ? C20 C19 C18 128.9(5) . . ? C24 C19 C18 110.6(4) . . ? C21 C20 C19 119.4(6) . . ? C20 C21 C22 120.2(6) . . ? C23 C22 C21 121.5(6) . . ? C22 C23 C24 117.9(6) . . ? C23 C24 C19 120.4(5) . . ? C23 C24 C25 131.1(5) . . ? C19 C24 C25 108.5(4) . . ? C26 C25 C30 119.0(5) . . ? C26 C25 C24 109.6(4) . . ? C30 C25 C24 131.4(5) . . ? C27 C26 C25 121.6(5) . . ? C27 C26 C18 128.4(5) . . ? C25 C26 C18 109.8(4) . . ? C26 C27 C28 119.8(5) . . ? C29 C28 C27 118.0(5) . . ? C29 C28 C31 121.1(5) . . ? C27 C28 C31 120.9(6) . . ? C30 C29 C28 122.1(5) . . ? C29 C30 C25 119.5(5) . . ? C35' C31 C35 81.5(13) . . ? C35' C31 C28 130.7(11) . . ? C35 C31 C28 124.0(8) . . ? C35' C31 C32 42.4(11) . . ? C35 C31 C32 113.4(10) . . ? C28 C31 C32 120.2(7) . . ? C35' C31 C32' 114.1(11) . . ? C35 C31 C32' 62.2(8) . . ? C28 C31 C32' 115.2(8) . . ? C32 C31 C32' 104.5(7) . . ? C33 C32 C31 120.3(13) . . ? C32 C33 N2 118.0(14) . . ? N2 C34 C35 124.7(14) . . ? C31 C35 C34 122.3(14) . . ? C31 C35' C34' 123.7(17) . . ? C33' C32' C31 114.6(12) . . ? C32' C33' N2 121.2(11) . . ? N2 C34' C35' 135(2) . . ? F1 B1 B1 77.4(11) . 2_556 ? F1 B1 F3 115(3) . 2_556 ? B1 B1 F3 74(4) 2_556 2_556 ? F1 B1 F2 114(2) . . ? B1 B1 F2 155(2) 2_556 . ? F3 B1 F2 116(4) 2_556 . ? F1 B1 F1 101.2(19) . 2_556 ? B1 B1 F1 46.9(15) 2_556 2_556 ? F3 B1 F1 99(4) 2_556 2_556 ? F2 B1 F1 108.2(11) . 2_556 ? F1 B1 F3 105(2) . . ? B1 B1 F3 53(3) 2_556 . ? F3 B1 F3 21(7) 2_556 . ? F2 B1 F3 135(3) . . ? F1 B1 F3 84(3) 2_556 . ? B1 F1 B1 56(2) . 2_556 ? F3 F3 B1 106(4) 2_556 2_556 ? F3 F3 B1 53(3) 2_556 . ? B1 F3 B1 53(3) 2_556 . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.786 _refine_diff_density_min -0.458 _refine_diff_density_rms 0.076