data_4 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common "dimer of 2" _chemical_melting_point ? _chemical_formula_moiety "C24 H6 Br4 F10 S2" _chemical_formula_sum 'C24 H6 Br4 F10 S2' _chemical_formula_weight 868.05 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' 'Br' 'Br' -0.2901 2.4595 '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' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M "P21/c" 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 13.8315(10) _cell_length_b 11.1491(8) _cell_length_c 17.5648(12) _cell_angle_alpha 90.00 _cell_angle_beta 109.2760(10) _cell_angle_gamma 90.00 _cell_volume 2556.8(3) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 8180 _cell_measurement_theta_max 31.32 _cell_measurement_theta_min 2.4 _exptl_crystal_description plate _exptl_crystal_colour colourless _exptl_crystal_size_max 0.45 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.26 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.255 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1648 _exptl_absorpt_coefficient_mu 6.549 _exptl_absorpt_correction_type "multi-scan" _exptl_absorpt_correction_T_min 0.087 _exptl_absorpt_correction_T_max 0.182 _exptl_absorpt_process_details "Bruker SADABS 2008/1 (Bruker, 2008)" _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 "Bruker APEX-II on four-circle goniometer" _diffrn_measurement_method "\w-scans" _diffrn_detector_area_resol_mean . _diffrn_standards_number . _diffrn_standards_interval_count . _diffrn_standards_interval_time . _diffrn_standards_decay_% . _diffrn_reflns_number 27254 _diffrn_reflns_av_R_equivalents 0.0383 _diffrn_reflns_av_sigmaI/netI 0.0402 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 1.56 _diffrn_reflns_theta_max 31.57 _reflns_number_total 8013 _reflns_number_gt 6484 _reflns_threshold_expression >2sigma(I) _computing_cell_refinement "Bruker software" _computing_data_reduction "Bruker software" _computing_structure_solution "SHELXS-97 (Sheldrick, 2008)" _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics "Mercury, ORTEP-III for Windows" _computing_publication_material "WinGX,PLATON " _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^)+(0.0312P)^2^+1.7549P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 8013 _refine_ls_number_parameters 361 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0458 _refine_ls_R_factor_gt 0.0310 _refine_ls_wR_factor_ref 0.0711 _refine_ls_wR_factor_gt 0.0661 _refine_ls_goodness_of_fit_ref 1.013 _refine_ls_restrained_S_all 1.013 _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 Br1 Br 0.081357(18) 0.58281(2) 0.125984(14) 0.01760(6) Uani 1 1 d . . . Br2 Br 0.384860(18) 0.07833(2) -0.052976(14) 0.01882(6) Uani 1 1 d . . . Br3 Br 0.17879(2) 0.81689(2) -0.149861(16) 0.02488(7) Uani 1 1 d . . . Br4 Br 0.27375(2) -0.12094(2) 0.227154(16) 0.02505(7) Uani 1 1 d . . . S1 S 0.34623(5) -0.08211(5) 0.07919(4) 0.01646(11) Uani 1 1 d . . . S21 S 0.11012(4) 0.75609(5) -0.00293(4) 0.01634(11) Uani 1 1 d . . . F13 F 0.30645(11) 0.46243(13) 0.26002(8) 0.0198(3) Uani 1 1 d . . . F35 F 0.21509(11) 0.33126(13) -0.19023(8) 0.0203(3) Uani 1 1 d . . . F9 F 0.41208(11) 0.49998(13) 0.03078(9) 0.0206(3) Uani 1 1 d . . . F29 F 0.10281(10) 0.14553(12) 0.00775(8) 0.0167(3) Uani 1 1 d . . . F30 F -0.02260(11) 0.00519(13) -0.10597(9) 0.0223(3) Uani 1 1 d . . . F31 F -0.03407(11) 0.02860(14) -0.26258(9) 0.0245(3) Uani 1 1 d . . . C2 C 0.34717(16) 0.05852(19) 0.03877(13) 0.0121(4) Uani 1 1 d . . . F11 F 0.54013(12) 0.76129(13) 0.24916(10) 0.0298(4) Uani 1 1 d . . . C25 C 0.16405(18) 0.7091(2) -0.07283(14) 0.0161(4) Uani 1 1 d . . . C28 C 0.16552(16) 0.24316(18) -0.08607(13) 0.0119(4) Uani 1 1 d . . . C23 C 0.17013(17) 0.53488(19) 0.00099(13) 0.0130(4) Uani 1 1 d . . . F32 F 0.08449(12) 0.19650(14) -0.30372(8) 0.0241(3) Uani 1 1 d . . . F10 F 0.53503(12) 0.67984(14) 0.10204(11) 0.0306(4) Uani 1 1 d . . . C4 C 0.29041(17) 0.0997(2) 0.14506(13) 0.0138(4) Uani 1 1 d . . . H4 H 0.2674 0.1463 0.1795 0.017 Uiso 1 1 calc R . . C33 C 0.15651(17) 0.25200(19) -0.16697(14) 0.0143(4) Uani 1 1 d . . . C7 C 0.28108(16) 0.37290(19) 0.10407(13) 0.0117(4) Uani 1 1 d . . . H7 H 0.2553 0.3347 0.1438 0.014 Uiso 1 1 calc R . . C8 C 0.35411(16) 0.47304(19) 0.14245(13) 0.0127(4) Uani 1 1 d . . . C26 C 0.18987(17) 0.40597(18) 0.02548(13) 0.0120(4) Uani 1 1 d . . . H26 H 0.1266 0.3695 0.0281 0.014 Uiso 1 1 calc R . . C24 C 0.19220(18) 0.59180(19) -0.06458(14) 0.0151(4) Uani 1 1 d . . . H24 H 0.2224 0.5528 -0.0978 0.018 Uiso 1 1 calc R . . C5 C 0.30264(18) -0.0210(2) 0.15185(14) 0.0155(4) Uani 1 1 d . . . C32 C 0.09012(18) 0.1829(2) -0.22656(14) 0.0165(4) Uani 1 1 d . . . F12 F 0.42753(12) 0.64740(14) 0.32875(9) 0.0267(3) Uani 1 1 d . . . C27 C 0.23673(16) 0.32417(19) -0.02484(13) 0.0116(4) Uani 1 1 d . . . H27 H 0.2723 0.3753 -0.0525 0.014 Uiso 1 1 calc R . . C22 C 0.12630(17) 0.6148(2) 0.03871(14) 0.0133(4) Uani 1 1 d . . . C30 C 0.03566(17) 0.08672(19) -0.12642(14) 0.0143(4) Uani 1 1 d . . . C29 C 0.10187(17) 0.15836(19) -0.06851(13) 0.0127(4) Uani 1 1 d . . . C11 C 0.48156(19) 0.6664(2) 0.21554(16) 0.0210(5) Uani 1 1 d . . . C13 C 0.36210(18) 0.5148(2) 0.21908(14) 0.0157(4) Uani 1 1 d . . . C3 C 0.31679(16) 0.14700(19) 0.07924(13) 0.0110(4) Uani 1 1 d . . . C6 C 0.31816(16) 0.27664(19) 0.05571(13) 0.0109(4) Uani 1 1 d . . . H6 H 0.3871 0.2976 0.0559 0.013 Uiso 1 1 calc R . . C31 C 0.02946(18) 0.0988(2) -0.20598(14) 0.0161(4) Uani 1 1 d . . . C10 C 0.47793(19) 0.6268(2) 0.14055(16) 0.0201(5) Uani 1 1 d . . . C12 C 0.42392(19) 0.6099(2) 0.25560(15) 0.0194(5) Uani 1 1 d . . . C9 C 0.41411(18) 0.5320(2) 0.10501(14) 0.0163(4) Uani 1 1 d . . . 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 Br1 0.02122(12) 0.01873(11) 0.01625(11) 0.00153(9) 0.01078(9) 0.00366(8) Br2 0.02442(12) 0.02065(12) 0.01669(12) 0.00406(9) 0.01393(10) 0.00657(9) Br3 0.03928(15) 0.01573(11) 0.02705(14) 0.00833(10) 0.02097(12) 0.00720(10) Br4 0.03920(15) 0.01750(11) 0.02685(14) 0.01036(10) 0.02224(12) 0.00580(10) S1 0.0229(3) 0.0113(2) 0.0187(3) 0.0019(2) 0.0116(2) 0.0028(2) S21 0.0208(3) 0.0118(2) 0.0191(3) 0.0005(2) 0.0102(2) 0.0033(2) F13 0.0265(7) 0.0228(7) 0.0119(7) -0.0016(6) 0.0086(6) -0.0032(6) F35 0.0278(8) 0.0214(7) 0.0146(7) 0.0018(6) 0.0110(6) -0.0063(6) F9 0.0272(7) 0.0205(7) 0.0185(7) -0.0006(6) 0.0136(6) -0.0061(6) F29 0.0178(7) 0.0229(7) 0.0116(6) 0.0025(5) 0.0077(5) -0.0012(5) F30 0.0209(7) 0.0212(7) 0.0250(8) -0.0001(6) 0.0079(6) -0.0077(6) F31 0.0248(8) 0.0277(8) 0.0179(7) -0.0100(6) 0.0029(6) -0.0066(6) C2 0.0139(10) 0.0127(9) 0.0113(10) 0.0009(8) 0.0065(8) 0.0020(7) F11 0.0295(8) 0.0169(7) 0.0323(9) -0.0028(6) -0.0040(7) -0.0083(6) C25 0.0194(11) 0.0156(10) 0.0155(11) 0.0026(9) 0.0087(9) 0.0017(8) C28 0.0146(10) 0.0110(9) 0.0109(10) 0.0002(8) 0.0053(8) 0.0026(7) C23 0.0142(10) 0.0116(9) 0.0123(10) -0.0009(8) 0.0033(8) 0.0005(8) F32 0.0329(8) 0.0311(8) 0.0080(6) -0.0031(6) 0.0064(6) -0.0031(6) F10 0.0284(8) 0.0256(8) 0.0406(10) 0.0038(7) 0.0154(8) -0.0126(6) C4 0.0164(10) 0.0152(10) 0.0113(10) -0.0001(8) 0.0067(9) 0.0014(8) C33 0.0186(11) 0.0126(10) 0.0132(10) 0.0009(8) 0.0074(9) 0.0006(8) C7 0.0144(10) 0.0110(9) 0.0104(10) 0.0010(8) 0.0051(8) -0.0001(7) C8 0.0126(10) 0.0116(9) 0.0137(10) 0.0022(8) 0.0041(8) 0.0006(7) C26 0.0145(10) 0.0109(9) 0.0110(10) -0.0003(8) 0.0047(8) 0.0004(7) C24 0.0193(11) 0.0137(10) 0.0134(10) -0.0005(8) 0.0069(9) 0.0023(8) C5 0.0200(11) 0.0139(10) 0.0149(11) 0.0038(9) 0.0088(9) 0.0016(8) C32 0.0217(11) 0.0192(11) 0.0090(10) -0.0014(9) 0.0058(9) 0.0022(9) F12 0.0363(9) 0.0232(7) 0.0144(7) -0.0061(6) 0.0001(7) -0.0011(6) C27 0.0147(10) 0.0108(9) 0.0105(10) 0.0014(8) 0.0056(8) 0.0017(7) C22 0.0145(10) 0.0132(9) 0.0133(10) 0.0003(8) 0.0062(8) 0.0012(8) C30 0.0145(10) 0.0119(9) 0.0175(11) 0.0010(8) 0.0064(9) 0.0002(8) C29 0.0153(10) 0.0136(10) 0.0103(10) 0.0008(8) 0.0056(8) 0.0029(8) C11 0.0185(11) 0.0119(10) 0.0256(13) 0.0008(9) -0.0022(10) -0.0020(8) C13 0.0174(11) 0.0138(10) 0.0146(11) 0.0016(9) 0.0035(9) 0.0019(8) C3 0.0106(9) 0.0108(9) 0.0114(10) 0.0009(8) 0.0034(8) -0.0002(7) C6 0.0128(10) 0.0116(9) 0.0098(10) -0.0005(8) 0.0058(8) 0.0001(7) C31 0.0156(11) 0.0167(10) 0.0145(11) -0.0045(9) 0.0029(9) 0.0015(8) C10 0.0188(11) 0.0149(11) 0.0244(13) 0.0043(10) 0.0044(10) -0.0024(8) C12 0.0239(12) 0.0155(10) 0.0132(11) -0.0011(9) -0.0014(9) 0.0024(9) C9 0.0186(11) 0.0150(10) 0.0158(11) 0.0007(9) 0.0062(9) -0.0006(8) _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 Br1 C22 1.869(2) . ? Br2 C2 1.863(2) . ? Br3 C25 1.870(2) . ? Br4 C5 1.870(2) . ? S1 C5 1.722(2) . ? S1 C2 1.723(2) . ? S21 C25 1.715(2) . ? S21 C22 1.720(2) . ? F13 C13 1.348(3) . ? F35 C33 1.350(2) . ? F9 C9 1.343(3) . ? F29 C29 1.343(3) . ? F30 C30 1.340(3) . ? F31 C31 1.341(3) . ? C2 C3 1.361(3) . ? F11 C11 1.345(3) . ? C25 C24 1.359(3) . ? C28 C33 1.388(3) . ? C28 C29 1.394(3) . ? C28 C27 1.498(3) . ? C23 C22 1.366(3) . ? C23 C24 1.433(3) . ? C23 C26 1.499(3) . ? F32 C32 1.340(3) . ? F10 C10 1.336(3) . ? C4 C5 1.357(3) . ? C4 C3 1.423(3) . ? C4 H4 0.9300 . ? C33 C32 1.378(3) . ? C7 C8 1.507(3) . ? C7 C6 1.557(3) . ? C7 C26 1.576(3) . ? C7 H7 0.9800 . ? C8 C9 1.384(3) . ? C8 C13 1.394(3) . ? C26 C27 1.553(3) . ? C26 H26 0.9800 . ? C24 H24 0.9300 . ? C32 C31 1.383(3) . ? F12 C12 1.336(3) . ? C27 C6 1.581(3) . ? C27 H27 0.9800 . ? C30 C29 1.377(3) . ? C30 C31 1.378(3) . ? C11 C10 1.374(4) . ? C11 C12 1.377(4) . ? C13 C12 1.380(3) . ? C3 C6 1.505(3) . ? C6 H6 0.9800 . ? C10 C9 1.386(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 C5 S1 C2 89.87(10) . . ? C25 S21 C22 89.91(11) . . ? C3 C2 S1 113.50(16) . . ? C3 C2 Br2 126.05(17) . . ? S1 C2 Br2 120.44(12) . . ? C24 C25 S21 113.25(17) . . ? C24 C25 Br3 126.85(18) . . ? S21 C25 Br3 119.90(13) . . ? C33 C28 C29 115.1(2) . . ? C33 C28 C27 120.51(19) . . ? C29 C28 C27 124.31(19) . . ? C22 C23 C24 110.33(19) . . ? C22 C23 C26 123.6(2) . . ? C24 C23 C26 126.02(19) . . ? C5 C4 C3 112.4(2) . . ? C5 C4 H4 123.8 . . ? C3 C4 H4 123.8 . . ? F35 C33 C32 116.9(2) . . ? F35 C33 C28 119.7(2) . . ? C32 C33 C28 123.4(2) . . ? C8 C7 C6 117.50(18) . . ? C8 C7 C26 116.30(17) . . ? C6 C7 C26 89.77(16) . . ? C8 C7 H7 110.6 . . ? C6 C7 H7 110.6 . . ? C26 C7 H7 110.6 . . ? C9 C8 C13 115.5(2) . . ? C9 C8 C7 123.9(2) . . ? C13 C8 C7 120.49(19) . . ? C23 C26 C27 118.06(18) . . ? C23 C26 C7 119.53(18) . . ? C27 C26 C7 89.85(16) . . ? C23 C26 H26 109.3 . . ? C27 C26 H26 109.3 . . ? C7 C26 H26 109.3 . . ? C25 C24 C23 112.5(2) . . ? C25 C24 H24 123.8 . . ? C23 C24 H24 123.8 . . ? C4 C5 S1 113.02(17) . . ? C4 C5 Br4 127.11(18) . . ? S1 C5 Br4 119.84(13) . . ? F32 C32 C33 120.5(2) . . ? F32 C32 C31 120.2(2) . . ? C33 C32 C31 119.3(2) . . ? C28 C27 C26 117.63(18) . . ? C28 C27 C6 123.08(18) . . ? C26 C27 C6 89.74(16) . . ? C28 C27 H27 108.2 . . ? C26 C27 H27 108.2 . . ? C6 C27 H27 108.2 . . ? C23 C22 S21 114.03(17) . . ? C23 C22 Br1 126.49(17) . . ? S21 C22 Br1 119.46(12) . . ? F30 C30 C29 120.5(2) . . ? F30 C30 C31 119.8(2) . . ? C29 C30 C31 119.7(2) . . ? F29 C29 C30 117.4(2) . . ? F29 C29 C28 119.61(19) . . ? C30 C29 C28 123.0(2) . . ? F11 C11 C10 120.0(2) . . ? F11 C11 C12 120.1(2) . . ? C10 C11 C12 119.9(2) . . ? F13 C13 C12 117.4(2) . . ? F13 C13 C8 119.5(2) . . ? C12 C13 C8 123.0(2) . . ? C2 C3 C4 111.22(19) . . ? C2 C3 C6 121.24(19) . . ? C4 C3 C6 127.48(19) . . ? C3 C6 C7 118.41(17) . . ? C3 C6 C27 119.85(18) . . ? C7 C6 C27 89.51(15) . . ? C3 C6 H6 109.2 . . ? C7 C6 H6 109.2 . . ? C27 C6 H6 109.2 . . ? F31 C31 C30 120.1(2) . . ? F31 C31 C32 120.5(2) . . ? C30 C31 C32 119.4(2) . . ? F10 C10 C11 120.2(2) . . ? F10 C10 C9 120.3(2) . . ? C11 C10 C9 119.5(2) . . ? F12 C12 C11 120.3(2) . . ? F12 C12 C13 120.5(2) . . ? C11 C12 C13 119.2(2) . . ? F9 C9 C8 120.7(2) . . ? F9 C9 C10 116.5(2) . . ? C8 C9 C10 122.8(2) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C5 S1 C2 C3 0.59(18) . . . . ? C5 S1 C2 Br2 -178.28(14) . . . . ? C22 S21 C25 C24 0.3(2) . . . . ? C22 S21 C25 Br3 -179.70(15) . . . . ? C29 C28 C33 F35 -179.79(19) . . . . ? C27 C28 C33 F35 2.4(3) . . . . ? C29 C28 C33 C32 0.0(3) . . . . ? C27 C28 C33 C32 -177.9(2) . . . . ? C6 C7 C8 C9 42.0(3) . . . . ? C26 C7 C8 C9 -62.6(3) . . . . ? C6 C7 C8 C13 -140.2(2) . . . . ? C26 C7 C8 C13 115.1(2) . . . . ? C22 C23 C26 C27 177.9(2) . . . . ? C24 C23 C26 C27 -1.2(3) . . . . ? C22 C23 C26 C7 -74.8(3) . . . . ? C24 C23 C26 C7 106.2(3) . . . . ? C8 C7 C26 C23 -9.9(3) . . . . ? C6 C7 C26 C23 -130.7(2) . . . . ? C8 C7 C26 C27 112.75(19) . . . . ? C6 C7 C26 C27 -8.12(16) . . . . ? S21 C25 C24 C23 -0.1(3) . . . . ? Br3 C25 C24 C23 179.88(17) . . . . ? C22 C23 C24 C25 -0.2(3) . . . . ? C26 C23 C24 C25 178.9(2) . . . . ? C3 C4 C5 S1 0.0(3) . . . . ? C3 C4 C5 Br4 -178.06(17) . . . . ? C2 S1 C5 C4 -0.29(19) . . . . ? C2 S1 C5 Br4 177.88(15) . . . . ? F35 C33 C32 F32 -0.8(3) . . . . ? C28 C33 C32 F32 179.5(2) . . . . ? F35 C33 C32 C31 178.9(2) . . . . ? C28 C33 C32 C31 -0.8(4) . . . . ? C33 C28 C27 C26 120.9(2) . . . . ? C29 C28 C27 C26 -56.7(3) . . . . ? C33 C28 C27 C6 -129.5(2) . . . . ? C29 C28 C27 C6 52.9(3) . . . . ? C23 C26 C27 C28 -100.3(2) . . . . ? C7 C26 C27 C28 135.86(19) . . . . ? C23 C26 C27 C6 131.85(19) . . . . ? C7 C26 C27 C6 7.99(15) . . . . ? C24 C23 C22 S21 0.4(3) . . . . ? C26 C23 C22 S21 -178.74(17) . . . . ? C24 C23 C22 Br1 178.64(17) . . . . ? C26 C23 C22 Br1 -0.5(3) . . . . ? C25 S21 C22 C23 -0.39(19) . . . . ? C25 S21 C22 Br1 -178.75(15) . . . . ? F30 C30 C29 F29 -2.1(3) . . . . ? C31 C30 C29 F29 178.1(2) . . . . ? F30 C30 C29 C28 178.9(2) . . . . ? C31 C30 C29 C28 -1.0(3) . . . . ? C33 C28 C29 F29 -178.08(19) . . . . ? C27 C28 C29 F29 -0.4(3) . . . . ? C33 C28 C29 C30 1.0(3) . . . . ? C27 C28 C29 C30 178.7(2) . . . . ? C9 C8 C13 F13 -179.90(19) . . . . ? C7 C8 C13 F13 2.2(3) . . . . ? C9 C8 C13 C12 1.1(3) . . . . ? C7 C8 C13 C12 -176.8(2) . . . . ? S1 C2 C3 C4 -0.7(2) . . . . ? Br2 C2 C3 C4 178.07(16) . . . . ? S1 C2 C3 C6 176.58(16) . . . . ? Br2 C2 C3 C6 -4.6(3) . . . . ? C5 C4 C3 C2 0.5(3) . . . . ? C5 C4 C3 C6 -176.6(2) . . . . ? C2 C3 C6 C7 179.3(2) . . . . ? C4 C3 C6 C7 -3.9(3) . . . . ? C2 C3 C6 C27 71.9(3) . . . . ? C4 C3 C6 C27 -111.3(2) . . . . ? C8 C7 C6 C3 124.0(2) . . . . ? C26 C7 C6 C3 -116.18(19) . . . . ? C8 C7 C6 C27 -111.85(19) . . . . ? C26 C7 C6 C27 7.97(15) . . . . ? C28 C27 C6 C3 -8.6(3) . . . . ? C26 C27 C6 C3 114.85(19) . . . . ? C28 C27 C6 C7 -131.5(2) . . . . ? C26 C27 C6 C7 -8.09(16) . . . . ? F30 C30 C31 F31 -0.5(3) . . . . ? C29 C30 C31 F31 179.3(2) . . . . ? F30 C30 C31 C32 -179.8(2) . . . . ? C29 C30 C31 C32 0.1(3) . . . . ? F32 C32 C31 F31 1.3(3) . . . . ? C33 C32 C31 F31 -178.5(2) . . . . ? F32 C32 C31 C30 -179.5(2) . . . . ? C33 C32 C31 C30 0.8(3) . . . . ? F11 C11 C10 F10 2.2(4) . . . . ? C12 C11 C10 F10 -178.8(2) . . . . ? F11 C11 C10 C9 -177.3(2) . . . . ? C12 C11 C10 C9 1.6(4) . . . . ? F11 C11 C12 F12 -1.5(3) . . . . ? C10 C11 C12 F12 179.6(2) . . . . ? F11 C11 C12 C13 178.2(2) . . . . ? C10 C11 C12 C13 -0.8(4) . . . . ? F13 C13 C12 F12 0.0(3) . . . . ? C8 C13 C12 F12 179.0(2) . . . . ? F13 C13 C12 C11 -179.6(2) . . . . ? C8 C13 C12 C11 -0.6(4) . . . . ? C13 C8 C9 F9 -179.5(2) . . . . ? C7 C8 C9 F9 -1.7(3) . . . . ? C13 C8 C9 C10 -0.2(3) . . . . ? C7 C8 C9 C10 177.6(2) . . . . ? F10 C10 C9 F9 -1.3(3) . . . . ? C11 C10 C9 F9 178.2(2) . . . . ? F10 C10 C9 C8 179.3(2) . . . . ? C11 C10 C9 C8 -1.1(4) . . . . ? _diffrn_measured_fraction_theta_max 0.934 _diffrn_reflns_theta_full 27.50 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 1.123 _refine_diff_density_min -0.933 _refine_diff_density_rms 0.116