data_8+SbF6- _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C29 H33 O, F6 Sb, C H2 Cl2' _chemical_formula_sum 'C30 H35 Cl2 F6 O Sb' _chemical_formula_weight 718.23 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' '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' 'Cl' 'Cl' 0.1484 0.1585 '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 P2(1)/c _symmetry_space_group_name_Hall '-P 2ybc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 13.787(3) _cell_length_b 15.652(4) _cell_length_c 15.063(4) _cell_angle_alpha 90.00 _cell_angle_beta 112.361(4) _cell_angle_gamma 90.00 _cell_volume 3006.2(12) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description colorless _exptl_crystal_colour prism _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.587 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1448 _exptl_absorpt_coefficient_mu 1.156 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.7231 _exptl_absorpt_correction_T_max 0.8018 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(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 11076 _diffrn_reflns_av_R_equivalents 0.0505 _diffrn_reflns_av_sigmaI/netI 0.0642 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.96 _diffrn_reflns_theta_max 25.00 _reflns_number_total 5173 _reflns_number_gt 3812 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _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^)+(0.0586P)^2^+13.9364P] 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 5173 _refine_ls_number_parameters 398 _refine_ls_number_restraints 48 _refine_ls_R_factor_all 0.0949 _refine_ls_R_factor_gt 0.0664 _refine_ls_wR_factor_ref 0.1628 _refine_ls_wR_factor_gt 0.1492 _refine_ls_goodness_of_fit_ref 1.125 _refine_ls_restrained_S_all 1.121 _refine_ls_shift/su_max 0.031 _refine_ls_shift/su_mean 0.001 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 Sb1 Sb 0.17632(4) 0.44011(3) 0.28730(4) 0.03585(18) Uani 1 1 d U . . F3 F 0.1098(9) 0.3719(8) 0.1811(8) 0.130(5) Uani 0.805(12) 1 d P A 1 F4 F 0.1772(7) 0.5292(5) 0.2053(7) 0.090(4) Uani 0.805(12) 1 d P A 1 F5 F 0.2500(7) 0.5096(5) 0.3968(6) 0.095(3) Uani 0.805(12) 1 d P A 1 F6 F 0.1800(7) 0.3531(6) 0.3752(7) 0.085(3) Uani 0.805(12) 1 d P A 1 F13 F 0.089(4) 0.336(3) 0.237(4) 0.114(16) Uani 0.195(12) 1 d PU A 2 F14 F 0.108(2) 0.4766(19) 0.1496(19) 0.053(8) Uani 0.195(12) 1 d PU A 2 F15 F 0.214(3) 0.548(3) 0.316(3) 0.104(14) Uani 0.195(12) 1 d PU A 2 F16 F 0.214(3) 0.407(3) 0.407(3) 0.090(13) Uani 0.195(12) 1 d PU A 2 Cl2 Cl 0.50329(17) 0.35873(16) 0.46814(17) 0.0527(6) Uani 1 1 d . . . Cl1 Cl 0.61066(16) 0.21334(17) 0.59425(17) 0.0553(6) Uani 1 1 d . . . O1 O 0.1512(4) 0.3232(3) 0.5732(3) 0.0308(11) Uani 1 1 d . . . F2 F 0.3058(5) 0.4029(5) 0.2866(5) 0.085(2) Uani 1 1 d . A . C6 C 0.3363(5) 0.3223(5) 0.6405(5) 0.0283(15) Uani 1 1 d . . . F1 F 0.0468(4) 0.4784(5) 0.2888(5) 0.100(3) Uani 1 1 d . A . C1 C 0.2372(5) 0.2796(5) 0.5734(5) 0.0296(16) Uani 1 1 d . . . C4 C 0.0364(6) 0.2360(5) 0.4485(5) 0.0328(17) Uani 1 1 d . . . C12 C 0.3264(5) 0.1637(5) 0.5169(5) 0.0314(16) Uani 1 1 d . . . H12 H 0.3875 0.1976 0.5603 0.038 Uiso 1 1 calc R . . C18 C 0.1067(6) 0.1018(5) 0.3951(5) 0.0353(17) Uani 1 1 d . . . H18 H 0.0293 0.0928 0.3627 0.042 Uiso 1 1 calc R . . C3 C 0.1217(6) 0.1836(5) 0.4542(5) 0.0338(17) Uani 1 1 d . . . C2 C 0.2272(5) 0.2090(5) 0.5168(5) 0.0313(17) Uani 1 1 d . . . C23 C -0.1941(6) 0.2618(5) 0.4690(6) 0.042(2) Uani 1 1 d . . . H23 H -0.2470 0.2359 0.4915 0.050 Uiso 1 1 calc R . . C7 C 0.3550(6) 0.4080(5) 0.6254(5) 0.0332(17) Uani 1 1 d . . . H7 H 0.3064 0.4385 0.5727 0.040 Uiso 1 1 calc R . . C5 C 0.0536(5) 0.3030(5) 0.5124(5) 0.0327(17) Uani 1 1 d . . . C10 C 0.4974(5) 0.3185(5) 0.7833(5) 0.0362(18) Uani 1 1 d . . . H10 H 0.5453 0.2886 0.8369 0.043 Uiso 1 1 calc R . . C27 C -0.0285(5) 0.3583(5) 0.5300(5) 0.0321(17) Uani 1 1 d . . . H27 H 0.0097 0.3951 0.5869 0.039 Uiso 1 1 calc R . . C17 C 0.1518(6) 0.0210(5) 0.4597(5) 0.0365(18) Uani 1 1 d . . . H17A H 0.1377 0.0270 0.5191 0.044 Uiso 1 1 calc R . . H17B H 0.1131 -0.0300 0.4251 0.044 Uiso 1 1 calc R . . C16 C 0.2706(6) 0.0049(5) 0.4882(5) 0.0370(18) Uani 1 1 d . . . H16 H 0.2876 -0.0526 0.5191 0.044 Uiso 1 1 calc R . . C11 C 0.4068(6) 0.2776(5) 0.7195(5) 0.0346(17) Uani 1 1 d . . . H11 H 0.3934 0.2197 0.7299 0.042 Uiso 1 1 calc R . . C9 C 0.5160(6) 0.4033(5) 0.7668(6) 0.0405(19) Uani 1 1 d . . . H9 H 0.5774 0.4309 0.8094 0.049 Uiso 1 1 calc R . . C20 C 0.1507(6) 0.1079(5) 0.3136(6) 0.0415(19) Uani 1 1 d . . . H20A H 0.1140 0.0653 0.2635 0.050 Uiso 1 1 calc R . . H20B H 0.1342 0.1652 0.2839 0.050 Uiso 1 1 calc R . . C22 C -0.1526(6) 0.1896(5) 0.4206(7) 0.044(2) Uani 1 1 d . . . H22A H -0.1160 0.1460 0.4694 0.053 Uiso 1 1 calc R . . H22B H -0.2132 0.1615 0.3704 0.053 Uiso 1 1 calc R . . C14 C 0.2691(6) 0.0930(5) 0.3469(5) 0.0403(19) Uani 1 1 d . . . H14 H 0.2882 0.0922 0.2891 0.048 Uiso 1 1 calc R . . C26 C -0.0850(6) 0.4192(5) 0.4441(5) 0.0366(18) Uani 1 1 d . . . H26A H -0.0324 0.4450 0.4222 0.044 Uiso 1 1 calc R . . H26B H -0.1191 0.4659 0.4658 0.044 Uiso 1 1 calc R . . C19 C 0.3398(6) 0.0717(5) 0.5596(5) 0.0366(18) Uani 1 1 d . . . H19A H 0.4142 0.0546 0.5800 0.044 Uiso 1 1 calc R . . H19B H 0.3219 0.0723 0.6174 0.044 Uiso 1 1 calc R . . C15 C 0.2972(6) 0.0042(5) 0.3978(5) 0.0392(19) Uani 1 1 d . . . H15A H 0.2570 -0.0414 0.3536 0.047 Uiso 1 1 calc R . . H15B H 0.3729 -0.0076 0.4159 0.047 Uiso 1 1 calc R . . C21 C -0.0769(5) 0.2229(5) 0.3745(6) 0.0370(18) Uani 1 1 d . . . H21 H -0.0730 0.1773 0.3296 0.044 Uiso 1 1 calc R . . C8 C 0.4458(6) 0.4489(5) 0.6885(6) 0.0401(19) Uani 1 1 d . . . H8 H 0.4596 0.5067 0.6781 0.048 Uiso 1 1 calc R . . C13 C 0.3346(6) 0.1632(5) 0.4163(5) 0.0392(19) Uani 1 1 d . . . H13A H 0.3117 0.2196 0.3857 0.047 Uiso 1 1 calc R . . H13B H 0.4091 0.1557 0.4255 0.047 Uiso 1 1 calc R . . C25 C -0.1703(6) 0.3712(5) 0.3574(6) 0.0402(19) Uani 1 1 d . . . H25 H -0.2078 0.4144 0.3071 0.048 Uiso 1 1 calc R . . C29 C -0.1085(6) 0.3038(5) 0.5559(6) 0.0397(19) Uani 1 1 d . . . H29A H -0.0698 0.2585 0.6015 0.048 Uiso 1 1 calc R . . H29B H -0.1425 0.3409 0.5889 0.048 Uiso 1 1 calc R . . C24 C -0.2501(6) 0.3307(5) 0.3933(6) 0.042(2) Uani 1 1 d . . . H24A H -0.3081 0.3044 0.3390 0.051 Uiso 1 1 calc R . . H24B H -0.2801 0.3750 0.4222 0.051 Uiso 1 1 calc R . . C30 C 0.6031(7) 0.3249(7) 0.5796(7) 0.065(3) Uani 1 1 d . . . H30A H 0.6719 0.3465 0.5829 0.078 Uiso 1 1 calc R . . H30B H 0.5889 0.3507 0.6334 0.078 Uiso 1 1 calc R . . C28 C -0.1224(6) 0.3037(6) 0.3119(5) 0.041(2) Uani 1 1 d . . . H28A H -0.0656 0.3309 0.2969 0.049 Uiso 1 1 calc R . . H28B H -0.1771 0.2851 0.2503 0.049 Uiso 1 1 calc R . . 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 0.0374(3) 0.0383(3) 0.0358(3) 0.0075(3) 0.0183(2) 0.0066(3) F3 0.143(9) 0.135(10) 0.077(7) -0.056(7) 0.002(7) -0.055(8) F4 0.115(7) 0.072(6) 0.105(8) 0.063(6) 0.068(6) 0.040(5) F5 0.112(7) 0.075(6) 0.076(6) -0.037(5) 0.012(5) -0.005(5) F6 0.083(6) 0.083(6) 0.094(7) 0.062(5) 0.039(5) 0.011(5) F13 0.112(18) 0.116(18) 0.112(18) -0.007(10) 0.040(11) -0.006(10) F14 0.058(11) 0.063(12) 0.042(11) 0.009(8) 0.022(8) 0.004(8) F15 0.101(16) 0.110(17) 0.102(17) -0.011(10) 0.039(10) -0.003(9) F16 0.089(15) 0.101(16) 0.086(15) 0.004(9) 0.039(10) -0.003(9) Cl2 0.0433(11) 0.0643(14) 0.0522(13) 0.0003(11) 0.0200(10) 0.0003(10) Cl1 0.0322(10) 0.0818(17) 0.0500(13) 0.0074(12) 0.0135(10) 0.0071(11) O1 0.028(3) 0.033(3) 0.031(3) 0.000(2) 0.010(2) 0.000(2) F2 0.071(4) 0.118(5) 0.089(4) 0.043(4) 0.056(4) 0.053(4) C6 0.027(3) 0.034(4) 0.024(4) -0.001(3) 0.009(3) 0.001(3) F1 0.058(4) 0.165(7) 0.095(5) 0.068(5) 0.047(3) 0.056(4) C1 0.027(4) 0.038(4) 0.025(4) 0.002(3) 0.011(3) 0.000(3) C4 0.031(4) 0.044(5) 0.026(4) -0.001(3) 0.014(3) -0.011(3) C12 0.025(4) 0.038(4) 0.030(4) -0.001(3) 0.008(3) -0.005(3) C18 0.034(4) 0.040(4) 0.026(4) -0.001(3) 0.004(3) -0.007(4) C3 0.030(4) 0.042(4) 0.032(4) 0.001(3) 0.013(3) -0.006(3) C2 0.033(4) 0.030(4) 0.029(4) 0.004(3) 0.010(3) -0.006(3) C23 0.029(4) 0.050(5) 0.052(5) 0.001(4) 0.021(4) -0.003(4) C7 0.032(4) 0.044(4) 0.023(4) -0.004(3) 0.009(3) -0.002(3) C5 0.024(4) 0.044(5) 0.027(4) 0.005(3) 0.006(3) -0.005(3) C10 0.026(4) 0.057(5) 0.026(4) -0.006(4) 0.010(3) 0.008(4) C27 0.023(4) 0.041(4) 0.029(4) -0.006(3) 0.005(3) -0.001(3) C17 0.047(5) 0.037(4) 0.029(4) -0.008(3) 0.018(4) -0.012(4) C16 0.046(5) 0.035(4) 0.028(4) 0.001(3) 0.012(4) -0.004(4) C11 0.034(4) 0.042(4) 0.032(4) 0.002(3) 0.018(4) 0.000(3) C9 0.028(4) 0.047(5) 0.045(5) -0.016(4) 0.013(4) -0.007(4) C20 0.055(5) 0.028(4) 0.035(4) -0.007(3) 0.010(4) -0.008(4) C22 0.038(4) 0.042(5) 0.059(6) 0.001(4) 0.025(4) -0.010(4) C14 0.055(5) 0.047(5) 0.024(4) -0.006(4) 0.020(4) -0.011(4) C26 0.029(4) 0.042(5) 0.037(4) 0.002(3) 0.012(3) -0.003(3) C19 0.032(4) 0.047(5) 0.030(4) -0.005(4) 0.011(3) 0.002(3) C15 0.041(4) 0.040(5) 0.033(4) -0.008(4) 0.009(4) -0.004(4) C21 0.025(4) 0.046(5) 0.037(4) -0.006(4) 0.008(3) -0.008(3) C8 0.035(4) 0.039(5) 0.047(5) -0.004(4) 0.016(4) -0.006(4) C13 0.039(4) 0.049(5) 0.037(4) -0.001(4) 0.023(4) -0.005(4) C25 0.032(4) 0.044(5) 0.043(5) 0.008(4) 0.011(4) 0.001(4) C29 0.039(4) 0.050(5) 0.035(4) 0.004(4) 0.019(4) 0.006(4) C24 0.022(4) 0.051(5) 0.052(5) -0.006(4) 0.012(4) -0.002(4) C30 0.035(5) 0.107(9) 0.051(6) -0.025(6) 0.013(4) -0.008(5) C28 0.025(4) 0.064(6) 0.028(4) -0.003(4) 0.003(3) -0.011(4) _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 Sb1 F15 1.78(4) . ? Sb1 F16 1.76(4) . ? Sb1 F3 1.850(8) . ? Sb1 F4 1.865(7) . ? Sb1 F2 1.881(5) . ? Sb1 F6 1.886(7) . ? Sb1 F1 1.892(5) . ? Sb1 F5 1.913(7) . ? Sb1 F13 2.00(5) . ? Sb1 F14 2.01(3) . ? Cl2 C30 1.799(10) . ? Cl1 C30 1.758(12) . ? O1 C5 1.347(8) . ? O1 C1 1.368(8) . ? C6 C7 1.401(10) . ? C6 C11 1.403(10) . ? C6 C1 1.511(10) . ? C1 C2 1.370(10) . ? C4 C5 1.382(11) . ? C4 C3 1.409(11) . ? C4 C21 1.548(10) . ? C12 C2 1.539(10) . ? C12 C19 1.559(11) . ? C12 C13 1.563(10) . ? C18 C3 1.528(11) . ? C18 C20 1.565(11) . ? C18 C17 1.573(11) . ? C3 C2 1.456(10) . ? C23 C29 1.538(11) . ? C23 C24 1.545(11) . ? C23 C22 1.567(11) . ? C7 C8 1.404(10) . ? C5 C27 1.525(10) . ? C10 C9 1.392(12) . ? C10 C11 1.407(10) . ? C27 C29 1.556(11) . ? C27 C26 1.557(10) . ? C17 C16 1.547(11) . ? C16 C15 1.539(11) . ? C16 C19 1.543(10) . ? C9 C8 1.402(11) . ? C20 C14 1.532(11) . ? C22 C21 1.548(11) . ? C14 C13 1.548(11) . ? C14 C15 1.564(11) . ? C26 C25 1.577(11) . ? C21 C28 1.559(11) . ? C25 C24 1.537(11) . ? C25 C28 1.539(11) . ? 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 F15 Sb1 F16 95(2) . . ? F15 Sb1 F3 139.7(16) . . ? F16 Sb1 F3 124.9(16) . . ? F15 Sb1 F4 51.1(15) . . ? F16 Sb1 F4 146.0(16) . . ? F3 Sb1 F4 89.2(5) . . ? F15 Sb1 F2 95.9(13) . . ? F16 Sb1 F2 90.4(13) . . ? F3 Sb1 F2 88.6(5) . . ? F4 Sb1 F2 89.0(3) . . ? F15 Sb1 F6 126.3(16) . . ? F16 Sb1 F6 31.3(14) . . ? F3 Sb1 F6 93.6(6) . . ? F4 Sb1 F6 177.2(5) . . ? F2 Sb1 F6 90.5(3) . . ? F15 Sb1 F1 83.6(13) . . ? F16 Sb1 F1 89.4(13) . . ? F3 Sb1 F1 91.9(5) . . ? F4 Sb1 F1 90.9(3) . . ? F2 Sb1 F1 179.5(4) . . ? F6 Sb1 F1 89.6(3) . . ? F15 Sb1 F5 40.4(15) . . ? F16 Sb1 F5 55.4(16) . . ? F3 Sb1 F5 177.8(5) . . ? F4 Sb1 F5 90.6(5) . . ? F2 Sb1 F5 89.2(4) . . ? F6 Sb1 F5 86.6(5) . . ? F1 Sb1 F5 90.2(4) . . ? F15 Sb1 F13 161.6(19) . . ? F16 Sb1 F13 93(2) . . ? F3 Sb1 F13 33.9(14) . . ? F4 Sb1 F13 120.7(16) . . ? F2 Sb1 F13 100.6(14) . . ? F6 Sb1 F13 62.1(16) . . ? F1 Sb1 F13 79.9(14) . . ? F5 Sb1 F13 147.0(16) . . ? F15 Sb1 F14 87.6(17) . . ? F16 Sb1 F14 170.0(15) . . ? F3 Sb1 F14 52.3(10) . . ? F4 Sb1 F14 38.9(8) . . ? F2 Sb1 F14 98.9(8) . . ? F6 Sb1 F14 143.9(9) . . ? F1 Sb1 F14 81.4(8) . . ? F5 Sb1 F14 128.0(10) . . ? F13 Sb1 F14 81.9(17) . . ? C5 O1 C1 121.7(6) . . ? C7 C6 C11 120.2(7) . . ? C7 C6 C1 119.4(6) . . ? C11 C6 C1 120.3(7) . . ? O1 C1 C2 121.3(6) . . ? O1 C1 C6 110.0(6) . . ? C2 C1 C6 128.6(6) . . ? C5 C4 C3 118.7(7) . . ? C5 C4 C21 117.4(7) . . ? C3 C4 C21 123.9(7) . . ? C2 C12 C19 113.1(6) . . ? C2 C12 C13 113.1(6) . . ? C19 C12 C13 110.8(6) . . ? C3 C18 C20 113.5(6) . . ? C3 C18 C17 112.3(6) . . ? C20 C18 C17 110.8(6) . . ? C4 C3 C2 119.1(7) . . ? C4 C3 C18 121.8(6) . . ? C2 C3 C18 119.1(6) . . ? C1 C2 C3 117.5(7) . . ? C1 C2 C12 119.5(6) . . ? C3 C2 C12 122.9(7) . . ? C29 C23 C24 109.6(7) . . ? C29 C23 C22 114.0(6) . . ? C24 C23 C22 109.2(7) . . ? C6 C7 C8 119.9(7) . . ? O1 C5 C4 120.9(7) . . ? O1 C5 C27 111.3(6) . . ? C4 C5 C27 127.6(6) . . ? C9 C10 C11 119.2(7) . . ? C5 C27 C29 112.1(6) . . ? C5 C27 C26 111.9(6) . . ? C29 C27 C26 111.4(6) . . ? C16 C17 C18 115.4(6) . . ? C15 C16 C19 109.3(6) . . ? C15 C16 C17 109.9(6) . . ? C19 C16 C17 113.1(6) . . ? C6 C11 C10 120.1(7) . . ? C10 C9 C8 121.3(7) . . ? C14 C20 C18 114.6(6) . . ? C21 C22 C23 113.2(7) . . ? C20 C14 C13 112.8(7) . . ? C20 C14 C15 109.3(6) . . ? C13 C14 C15 109.1(6) . . ? C27 C26 C25 112.2(6) . . ? C16 C19 C12 113.1(6) . . ? C16 C15 C14 109.2(6) . . ? C22 C21 C4 112.9(6) . . ? C22 C21 C28 111.1(6) . . ? C4 C21 C28 113.1(6) . . ? C9 C8 C7 119.3(8) . . ? C14 C13 C12 114.8(6) . . ? C24 C25 C28 111.1(7) . . ? C24 C25 C26 108.2(7) . . ? C28 C25 C26 112.7(6) . . ? C23 C29 C27 114.2(6) . . ? C25 C24 C23 108.9(6) . . ? Cl1 C30 Cl2 113.4(5) . . ? C25 C28 C21 115.4(7) . . ? _diffrn_measured_fraction_theta_max 0.977 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.977 _refine_diff_density_max 1.526 _refine_diff_density_min -1.081 _refine_diff_density_rms 0.125