# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2006 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'C. Reed' _publ_contact_author_address ; Department of Chemistry University of California Riverside California 92521-0403 UNITED STATES OF AMERICA ; _publ_contact_author_email CHRIS.REED@UCR.EDU _publ_section_title ; Novel weak coordination to silylium ions. Formation of nearly linear Si-H-Si bonds. ; loop_ _publ_author_name 'C. Reed' 'Stephan P. Hoffmann' 'Tsuyoshi Kato' 'Fook S. Tham' data_cr381m _database_code_depnum_ccdc_archive 'CCDC 261758' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C12 H31 B11 Br6 O2 S Si' _chemical_formula_weight 865.89 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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.0817 0.0704 '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' Br Br -0.2901 2.4595 '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 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 15.0241(15) _cell_length_b 14.1648(14) _cell_length_c 16.2817(16) _cell_angle_alpha 90.00 _cell_angle_beta 116.708(2) _cell_angle_gamma 90.00 _cell_volume 3095.3(5) _cell_formula_units_Z 4 _cell_measurement_temperature 218(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description 'prism frag' _exptl_crystal_colour yellow _exptl_crystal_size_max 0.38 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas 0 _exptl_crystal_density_diffrn 1.858 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1656 _exptl_absorpt_coefficient_mu 7.901 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.1532 _exptl_absorpt_correction_T_max 0.3836 _exptl_absorpt_process_details 'Bruker SADABS' _exptl_special_details ; ? ; _diffrn_ambient_temperature 218(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Normal-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 24715 _diffrn_reflns_av_R_equivalents 0.0423 _diffrn_reflns_av_sigmaI/netI 0.0388 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 1.52 _diffrn_reflns_theta_max 26.37 _reflns_number_total 6321 _reflns_number_gt 4554 _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^)+(0.0588P)^2^+1.7373P] 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 6321 _refine_ls_number_parameters 399 _refine_ls_number_restraints 263 _refine_ls_R_factor_all 0.0649 _refine_ls_R_factor_gt 0.0402 _refine_ls_wR_factor_ref 0.1069 _refine_ls_wR_factor_gt 0.0951 _refine_ls_goodness_of_fit_ref 1.026 _refine_ls_restrained_S_all 1.015 _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 C1 C 0.2417(3) 0.2248(3) 0.3282(3) 0.0389(10) Uani 1 1 d . . . H1 H 0.2521 0.2473 0.2677 0.047 Uiso 1 1 calc R . . C2 C 0.1621(4) 0.0451(4) 0.2383(3) 0.0611(15) Uani 1 1 d . . . H2A H 0.2162 0.0014 0.2501 0.092 Uiso 1 1 calc R . . H2B H 0.1481 0.0811 0.1831 0.092 Uiso 1 1 calc R . . H2C H 0.1031 0.0102 0.2299 0.092 Uiso 1 1 calc R . . C3 C 0.4067(4) 0.0967(4) 0.3780(4) 0.0555(13) Uani 1 1 d . . . H3A H 0.4062 0.1259 0.3240 0.083 Uiso 1 1 calc R . . H3B H 0.3953 0.0294 0.3677 0.083 Uiso 1 1 calc R . . H3C H 0.4708 0.1073 0.4305 0.083 Uiso 1 1 calc R . . C4 C 0.4222(4) 0.3250(4) 0.4475(4) 0.0614(15) Uani 1 1 d . . . H4A H 0.4125 0.3492 0.3883 0.092 Uiso 1 1 calc R . . H4B H 0.4828 0.2878 0.4744 0.092 Uiso 1 1 calc R . . H4C H 0.4277 0.3774 0.4879 0.092 Uiso 1 1 calc R . . C5 C 0.1902(4) 0.4174(4) 0.3494(4) 0.0598(14) Uani 1 1 d . . . H5A H 0.1922 0.4231 0.2909 0.090 Uiso 1 1 calc R . . H5B H 0.2424 0.4558 0.3951 0.090 Uiso 1 1 calc R . . H5C H 0.1259 0.4387 0.3428 0.090 Uiso 1 1 calc R . . C6 C 0.0309(4) 0.2457(5) 0.2187(4) 0.0654(16) Uani 1 1 d . . . H6A H 0.0061 0.3078 0.2231 0.098 Uiso 1 1 calc R . . H6B H -0.0216 0.1994 0.2043 0.098 Uiso 1 1 calc R . . H6C H 0.0520 0.2460 0.1705 0.098 Uiso 1 1 calc R . . B2 B 0.1929(4) 0.1146(4) 0.3224(4) 0.0405(12) Uani 1 1 d . . . B3 B 0.3219(4) 0.1414(4) 0.3974(4) 0.0393(12) Uani 1 1 d . . . B4 B 0.3302(4) 0.2608(4) 0.4341(4) 0.0420(13) Uani 1 1 d . . . B5 B 0.2063(4) 0.3106(4) 0.3812(4) 0.0408(12) Uani 1 1 d . . . B6 B 0.1219(4) 0.2198(4) 0.3129(4) 0.0427(13) Uani 1 1 d . . . B7 B 0.1263(3) 0.1287(4) 0.3880(3) 0.0357(11) Uani 1 1 d . . . B8 B 0.2476(4) 0.0804(4) 0.4391(3) 0.0329(10) Uani 1 1 d . . . B9 B 0.3307(3) 0.1689(4) 0.5071(3) 0.0358(11) Uani 1 1 d . . . B10 B 0.2606(4) 0.2721(4) 0.4976(4) 0.0365(11) Uani 1 1 d . . . B11 B 0.1342(3) 0.2481(4) 0.4237(3) 0.0364(11) Uani 1 1 d . . . B12 B 0.2107(4) 0.1607(4) 0.5025(3) 0.0345(11) Uani 1 1 d . . . Br1 Br 0.00936(3) 0.04939(4) 0.36270(4) 0.05194(15) Uani 1 1 d . . . Br2 Br 0.27533(4) -0.05357(3) 0.47201(4) 0.04832(14) Uani 1 1 d . . . Br3 Br 0.45173(4) 0.13754(4) 0.61900(4) 0.05861(17) Uani 1 1 d . . . Br4 Br 0.29978(4) 0.36293(4) 0.59845(4) 0.06214(17) Uani 1 1 d . . . Br5 Br 0.02587(4) 0.31107(4) 0.43714(4) 0.06025(17) Uani 1 1 d . . . Br6 Br 0.18905(4) 0.12005(4) 0.60704(3) 0.04726(14) Uani 1 1 d . . . S1' S 0.8635(3) 0.3810(4) 0.9547(4) 0.0499(10) Uani 0.707(11) 1 d PDU A 1 O1' O 0.7841(9) 0.3701(8) 0.8597(6) 0.046(2) Uani 0.707(11) 1 d PDU A 1 O2' O 0.8850(9) 0.2970(8) 1.0082(8) 0.076(3) Uani 0.707(11) 1 d PDU A 1 Si1' Si 0.6787(5) 0.2952(3) 0.7897(4) 0.0504(11) Uani 0.707(11) 1 d PDU A 1 C1' C 0.5824(10) 0.3852(10) 0.7493(14) 0.079(3) Uani 0.707(11) 1 d PDU A 1 H1'A H 0.5190 0.3535 0.7112 0.094 Uiso 0.707(11) 1 calc PR A 1 H1'B H 0.5775 0.4102 0.8033 0.094 Uiso 0.707(11) 1 calc PR A 1 C2' C 0.5900(10) 0.4652(7) 0.6974(10) 0.083(4) Uani 0.707(11) 1 d PDU A 1 H2'A H 0.5350 0.5081 0.6846 0.124 Uiso 0.707(11) 1 calc PR A 1 H2'B H 0.5875 0.4433 0.6400 0.124 Uiso 0.707(11) 1 calc PR A 1 H2'C H 0.6525 0.4977 0.7329 0.124 Uiso 0.707(11) 1 calc PR A 1 C3' C 0.7253(14) 0.2396(9) 0.7164(11) 0.067(3) Uani 0.707(11) 1 d PDU A 1 H3'A H 0.7856 0.2043 0.7559 0.080 Uiso 0.707(11) 1 calc PR A 1 H3'B H 0.6756 0.1934 0.6776 0.080 Uiso 0.707(11) 1 calc PR A 1 C4' C 0.7492(17) 0.3007(14) 0.6560(13) 0.096(5) Uani 0.707(11) 1 d PDU A 1 H4'A H 0.7861 0.2648 0.6307 0.144 Uiso 0.707(11) 1 calc PR A 1 H4'B H 0.7893 0.3535 0.6912 0.144 Uiso 0.707(11) 1 calc PR A 1 H4'C H 0.6880 0.3241 0.6064 0.144 Uiso 0.707(11) 1 calc PR A 1 C5' C 0.6548(8) 0.2174(6) 0.8662(7) 0.083(3) Uani 0.707(11) 1 d PDU A 1 H5'A H 0.6703 0.2525 0.9230 0.100 Uiso 0.707(11) 1 calc PR A 1 H5'B H 0.5832 0.2039 0.8375 0.100 Uiso 0.707(11) 1 calc PR A 1 C6' C 0.7076(13) 0.1270(6) 0.8921(9) 0.140(6) Uani 0.707(11) 1 d PDU A 1 H6'A H 0.6967 0.0982 0.9409 0.210 Uiso 0.707(11) 1 calc PR A 1 H6'B H 0.7784 0.1375 0.9134 0.210 Uiso 0.707(11) 1 calc PR A 1 H6'C H 0.6827 0.0854 0.8392 0.210 Uiso 0.707(11) 1 calc PR A 1 S1D S 0.8742(8) 0.3412(11) 0.9622(8) 0.054(3) Uani 0.293(11) 1 d PDU A 2 O1D O 0.796(2) 0.346(2) 0.8663(14) 0.049(6) Uani 0.293(11) 1 d PDU A 2 O2D O 0.863(2) 0.266(2) 1.015(2) 0.078(7) Uani 0.293(11) 1 d PDU A 2 Si1D Si 0.6928(11) 0.2778(10) 0.7803(10) 0.064(4) Uani 0.293(11) 1 d PDU A 2 C1D C 0.588(2) 0.351(2) 0.764(3) 0.059(5) Uani 0.293(11) 1 d PDU A 2 H1DA H 0.5270 0.3145 0.7289 0.071 Uiso 0.293(11) 1 calc PR A 2 H1DB H 0.5912 0.3628 0.8248 0.071 Uiso 0.293(11) 1 calc PR A 2 C2D C 0.5755(19) 0.4427(16) 0.718(3) 0.134(15) Uani 0.293(11) 1 d PDU A 2 H2DA H 0.5146 0.4724 0.7123 0.200 Uiso 0.293(11) 1 calc PR A 2 H2DB H 0.5719 0.4335 0.6580 0.200 Uiso 0.293(11) 1 calc PR A 2 H2DC H 0.6319 0.4828 0.7548 0.200 Uiso 0.293(11) 1 calc PR A 2 C3D C 0.738(4) 0.245(2) 0.698(3) 0.074(7) Uani 0.293(11) 1 d PDU A 2 H3DA H 0.8017 0.2119 0.7320 0.088 Uiso 0.293(11) 1 calc PR A 2 H3DB H 0.6911 0.1998 0.6553 0.088 Uiso 0.293(11) 1 calc PR A 2 C4D C 0.754(3) 0.320(3) 0.644(2) 0.076(10) Uani 0.293(11) 1 d PDU A 2 H4DA H 0.7811 0.2927 0.6055 0.114 Uiso 0.293(11) 1 calc PR A 2 H4DB H 0.8005 0.3661 0.6852 0.114 Uiso 0.293(11) 1 calc PR A 2 H4DC H 0.6911 0.3504 0.6059 0.114 Uiso 0.293(11) 1 calc PR A 2 C5D C 0.6929(17) 0.1684(11) 0.8382(16) 0.080(6) Uani 0.293(11) 1 d PDU A 2 H5DA H 0.6615 0.1199 0.7909 0.097 Uiso 0.293(11) 1 calc PR A 2 H5DB H 0.7624 0.1495 0.8751 0.097 Uiso 0.293(11) 1 calc PR A 2 C6D C 0.644(2) 0.1665(17) 0.8982(19) 0.096(8) Uani 0.293(11) 1 d PDU A 2 H6DA H 0.6236 0.1024 0.9024 0.144 Uiso 0.293(11) 1 calc PR A 2 H6DB H 0.5858 0.2072 0.8730 0.144 Uiso 0.293(11) 1 calc PR A 2 H6DC H 0.6900 0.1887 0.9590 0.144 Uiso 0.293(11) 1 calc PR 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 C1 0.037(2) 0.049(3) 0.035(2) 0.009(2) 0.020(2) 0.004(2) C2 0.076(4) 0.074(4) 0.039(3) -0.011(3) 0.031(3) -0.009(3) C3 0.046(3) 0.064(3) 0.070(4) 0.006(3) 0.039(3) 0.007(3) C4 0.041(3) 0.066(4) 0.079(4) 0.010(3) 0.030(3) -0.006(3) C5 0.056(3) 0.050(3) 0.073(4) 0.020(3) 0.028(3) 0.005(3) C6 0.049(3) 0.093(5) 0.042(3) 0.015(3) 0.009(3) 0.002(3) B2 0.040(3) 0.053(3) 0.034(3) 0.002(2) 0.022(2) -0.002(2) B3 0.029(2) 0.052(3) 0.038(3) 0.006(2) 0.017(2) 0.004(2) B4 0.029(2) 0.047(3) 0.048(3) 0.005(3) 0.016(2) 0.001(2) B5 0.035(3) 0.045(3) 0.042(3) 0.009(2) 0.017(2) 0.004(2) B6 0.026(2) 0.062(4) 0.035(3) 0.009(3) 0.010(2) 0.000(2) B7 0.026(2) 0.050(3) 0.030(3) 0.001(2) 0.012(2) -0.007(2) B8 0.034(2) 0.036(3) 0.029(3) 0.000(2) 0.015(2) 0.000(2) B9 0.024(2) 0.043(3) 0.035(3) 0.003(2) 0.009(2) 0.001(2) B10 0.033(2) 0.040(3) 0.033(3) -0.001(2) 0.012(2) 0.001(2) B11 0.025(2) 0.049(3) 0.034(3) 0.004(2) 0.012(2) 0.007(2) B12 0.034(2) 0.043(3) 0.030(3) 0.004(2) 0.018(2) 0.002(2) Br1 0.0345(2) 0.0663(3) 0.0511(3) -0.0061(3) 0.0158(2) -0.0160(2) Br2 0.0593(3) 0.0395(3) 0.0575(3) 0.0046(2) 0.0364(3) 0.0057(2) Br3 0.0345(3) 0.0646(4) 0.0517(3) 0.0055(3) -0.0028(2) 0.0046(2) Br4 0.0668(4) 0.0529(3) 0.0590(4) -0.0188(3) 0.0214(3) -0.0055(3) Br5 0.0455(3) 0.0678(4) 0.0782(4) 0.0113(3) 0.0374(3) 0.0193(2) Br6 0.0608(3) 0.0550(3) 0.0348(3) 0.0030(2) 0.0293(2) 0.0031(2) S1' 0.0406(13) 0.066(2) 0.0406(14) -0.0083(19) 0.0156(11) 0.0071(16) O1' 0.044(4) 0.055(6) 0.040(3) -0.012(3) 0.020(3) -0.014(4) O2' 0.085(8) 0.089(7) 0.058(5) 0.020(5) 0.035(5) 0.044(6) Si1' 0.047(2) 0.0492(16) 0.056(2) -0.0111(14) 0.0240(14) -0.0101(13) C1' 0.053(5) 0.084(11) 0.084(10) 0.000(7) 0.017(5) -0.006(7) C2' 0.082(8) 0.070(7) 0.088(9) 0.007(6) 0.030(6) -0.010(6) C3' 0.065(6) 0.071(6) 0.070(7) -0.027(5) 0.037(5) -0.024(5) C4' 0.124(12) 0.104(11) 0.091(11) -0.018(8) 0.076(10) -0.023(9) C5' 0.114(8) 0.072(6) 0.086(7) -0.026(5) 0.064(6) -0.041(5) C6' 0.28(2) 0.052(6) 0.141(12) -0.002(6) 0.137(14) -0.017(8) S1D 0.038(3) 0.080(8) 0.036(4) -0.013(6) 0.009(3) 0.001(5) O1D 0.042(8) 0.058(13) 0.035(7) 0.002(7) 0.006(6) -0.003(9) O2D 0.055(11) 0.13(2) 0.054(10) 0.026(11) 0.031(8) 0.015(12) Si1D 0.034(4) 0.103(8) 0.051(5) -0.023(5) 0.016(3) -0.023(5) C1D 0.044(8) 0.067(14) 0.067(15) -0.008(11) 0.025(9) -0.022(8) C2D 0.062(15) 0.122(18) 0.13(3) 0.091(18) -0.037(17) -0.051(11) C3D 0.10(2) 0.054(14) 0.066(14) -0.013(10) 0.036(12) 0.022(15) C4D 0.031(11) 0.14(3) 0.048(14) 0.011(15) 0.011(10) -0.008(14) C5D 0.073(13) 0.070(11) 0.092(15) -0.017(10) 0.031(11) -0.008(9) C6D 0.11(2) 0.09(2) 0.095(19) 0.012(14) 0.051(14) 0.014(16) _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 C1 B3 1.701(7) . ? C1 B6 1.704(6) . ? C1 B5 1.708(7) . ? C1 B2 1.708(7) . ? C1 B4 1.716(7) . ? C2 B2 1.577(7) . ? C3 B3 1.577(6) . ? C4 B4 1.586(7) . ? C5 B5 1.581(7) . ? C6 B6 1.572(7) . ? B2 B8 1.765(7) . ? B2 B7 1.773(7) . ? B2 B6 1.799(8) . ? B2 B3 1.806(7) . ? B3 B8 1.770(7) . ? B3 B9 1.775(7) . ? B3 B4 1.780(8) . ? B4 B9 1.760(8) . ? B4 B10 1.777(7) . ? B4 B5 1.805(7) . ? B5 B11 1.764(7) . ? B5 B10 1.779(7) . ? B5 B6 1.798(8) . ? B6 B7 1.758(7) . ? B6 B11 1.774(8) . ? B7 B8 1.765(7) . ? B7 B11 1.775(8) . ? B7 B12 1.779(7) . ? B7 Br1 1.967(5) . ? B8 B9 1.765(7) . ? B8 B12 1.784(7) . ? B8 Br2 1.966(5) . ? B9 B10 1.767(7) . ? B9 B12 1.775(7) . ? B9 Br3 1.961(5) . ? B10 B12 1.764(7) . ? B10 B11 1.765(7) . ? B10 Br4 1.957(5) . ? B11 B12 1.782(7) . ? B11 Br5 1.953(5) . ? B12 Br6 1.957(5) . ? S1' O2' 1.424(8) . ? S1' O1' 1.477(5) . ? O1' Si1' 1.820(5) . ? Si1' C3' 1.813(7) . ? Si1' C1' 1.815(7) . ? Si1' C5' 1.816(7) . ? C1' C2' 1.448(9) . ? C3' C4' 1.470(9) . ? C5' C6' 1.465(9) . ? S1D O2D 1.418(11) . ? S1D O1D 1.477(8) . ? O1D Si1D 1.823(8) . ? Si1D C1D 1.809(9) . ? Si1D C3D 1.810(9) . ? Si1D C5D 1.813(9) . ? C1D C2D 1.463(10) . ? C3D C4D 1.464(10) . ? C5D C6D 1.463(10) . ? 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 B3 C1 B6 117.1(4) . . ? B3 C1 B5 116.6(4) . . ? B6 C1 B5 63.6(3) . . ? B3 C1 B2 64.0(3) . . ? B6 C1 B2 63.6(3) . . ? B5 C1 B2 117.1(3) . . ? B3 C1 B4 62.8(3) . . ? B6 C1 B4 116.7(4) . . ? B5 C1 B4 63.6(3) . . ? B2 C1 B4 116.5(4) . . ? C2 B2 C1 124.7(4) . . ? C2 B2 B8 125.2(4) . . ? C1 B2 B8 102.2(4) . . ? C2 B2 B7 124.6(4) . . ? C1 B2 B7 102.0(4) . . ? B8 B2 B7 59.9(3) . . ? C2 B2 B6 120.7(4) . . ? C1 B2 B6 58.1(3) . . ? B8 B2 B6 106.9(4) . . ? B7 B2 B6 59.0(3) . . ? C2 B2 B3 121.7(4) . . ? C1 B2 B3 57.8(3) . . ? B8 B2 B3 59.4(3) . . ? B7 B2 B3 107.1(4) . . ? B6 B2 B3 107.4(4) . . ? C3 B3 C1 122.8(4) . . ? C3 B3 B8 125.9(4) . . ? C1 B3 B8 102.2(3) . . ? C3 B3 B9 126.0(4) . . ? C1 B3 B9 103.0(4) . . ? B8 B3 B9 59.7(3) . . ? C3 B3 B4 120.5(4) . . ? C1 B3 B4 59.0(3) . . ? B8 B3 B4 107.2(4) . . ? B9 B3 B4 59.4(3) . . ? C3 B3 B2 119.9(4) . . ? C1 B3 B2 58.2(3) . . ? B8 B3 B2 59.1(3) . . ? B9 B3 B2 107.4(3) . . ? B4 B3 B2 108.6(4) . . ? C4 B4 C1 122.8(4) . . ? C4 B4 B9 126.3(4) . . ? C1 B4 B9 103.0(4) . . ? C4 B4 B10 125.0(4) . . ? C1 B4 B10 102.6(3) . . ? B9 B4 B10 59.9(3) . . ? C4 B4 B3 121.0(4) . . ? C1 B4 B3 58.2(3) . . ? B9 B4 B3 60.2(3) . . ? B10 B4 B3 108.1(4) . . ? C4 B4 B5 119.3(4) . . ? C1 B4 B5 58.0(3) . . ? B9 B4 B5 107.6(3) . . ? B10 B4 B5 59.5(3) . . ? B3 B4 B5 108.0(4) . . ? C5 B5 C1 123.5(4) . . ? C5 B5 B11 125.2(4) . . ? C1 B5 B11 103.1(4) . . ? C5 B5 B10 124.8(4) . . ? C1 B5 B10 102.9(4) . . ? B11 B5 B10 59.8(3) . . ? C5 B5 B6 121.3(4) . . ? C1 B5 B6 58.1(3) . . ? B11 B5 B6 59.7(3) . . ? B10 B5 B6 107.3(4) . . ? C5 B5 B4 120.2(4) . . ? C1 B5 B4 58.4(3) . . ? B11 B5 B4 107.5(4) . . ? B10 B5 B4 59.4(3) . . ? B6 B5 B4 107.8(4) . . ? C6 B6 C1 122.1(4) . . ? C6 B6 B7 126.5(4) . . ? C1 B6 B7 102.8(3) . . ? C6 B6 B11 125.9(4) . . ? C1 B6 B11 102.8(3) . . ? B7 B6 B11 60.3(3) . . ? C6 B6 B5 119.9(5) . . ? C1 B6 B5 58.3(3) . . ? B7 B6 B5 107.4(4) . . ? B11 B6 B5 59.2(3) . . ? C6 B6 B2 119.9(5) . . ? C1 B6 B2 58.3(3) . . ? B7 B6 B2 59.8(3) . . ? B11 B6 B2 108.3(4) . . ? B5 B6 B2 108.2(3) . . ? B6 B7 B8 108.7(3) . . ? B6 B7 B2 61.3(3) . . ? B8 B7 B2 59.8(3) . . ? B6 B7 B11 60.3(3) . . ? B8 B7 B11 108.2(3) . . ? B2 B7 B11 109.4(3) . . ? B6 B7 B12 109.2(4) . . ? B8 B7 B12 60.5(3) . . ? B2 B7 B12 109.3(3) . . ? B11 B7 B12 60.2(3) . . ? B6 B7 Br1 121.5(3) . . ? B8 B7 Br1 120.9(3) . . ? B2 B7 Br1 120.2(3) . . ? B11 B7 Br1 122.3(3) . . ? B12 B7 Br1 120.9(3) . . ? B2 B8 B9 109.7(4) . . ? B2 B8 B7 60.3(3) . . ? B9 B8 B7 108.1(4) . . ? B2 B8 B3 61.5(3) . . ? B9 B8 B3 60.3(3) . . ? B7 B8 B3 109.0(3) . . ? B2 B8 B12 109.5(4) . . ? B9 B8 B12 60.0(3) . . ? B7 B8 B12 60.2(3) . . ? B3 B8 B12 109.0(4) . . ? B2 B8 Br2 119.8(3) . . ? B9 B8 Br2 120.7(3) . . ? B7 B8 Br2 123.4(3) . . ? B3 B8 Br2 118.9(3) . . ? B12 B8 Br2 122.7(3) . . ? B4 B9 B8 108.3(4) . . ? B4 B9 B10 60.5(3) . . ? B8 B9 B10 107.9(3) . . ? B4 B9 B12 108.9(3) . . ? B8 B9 B12 60.5(3) . . ? B10 B9 B12 59.7(3) . . ? B4 B9 B3 60.5(3) . . ? B8 B9 B3 60.0(3) . . ? B10 B9 B3 108.7(4) . . ? B12 B9 B3 109.2(3) . . ? B4 B9 Br3 121.0(3) . . ? B8 B9 Br3 121.4(3) . . ? B10 B9 Br3 122.4(3) . . ? B12 B9 Br3 121.7(3) . . ? B3 B9 Br3 120.3(3) . . ? B12 B10 B11 60.7(3) . . ? B12 B10 B9 60.4(3) . . ? B11 B10 B9 108.5(4) . . ? B12 B10 B4 108.6(4) . . ? B11 B10 B4 108.7(4) . . ? B9 B10 B4 59.6(3) . . ? B12 B10 B5 108.8(4) . . ? B11 B10 B5 59.7(3) . . ? B9 B10 B5 108.5(4) . . ? B4 B10 B5 61.0(3) . . ? B12 B10 Br4 121.6(3) . . ? B11 B10 Br4 121.6(3) . . ? B9 B10 Br4 121.8(3) . . ? B4 B10 Br4 120.9(3) . . ? B5 B10 Br4 120.9(3) . . ? B5 B11 B10 60.6(3) . . ? B5 B11 B6 61.1(3) . . ? B10 B11 B6 109.0(3) . . ? B5 B11 B7 108.2(3) . . ? B10 B11 B7 107.4(3) . . ? B6 B11 B7 59.4(3) . . ? B5 B11 B12 108.7(3) . . ? B10 B11 B12 59.6(3) . . ? B6 B11 B12 108.3(4) . . ? B7 B11 B12 60.0(3) . . ? B5 B11 Br5 120.3(3) . . ? B10 B11 Br5 122.1(3) . . ? B6 B11 Br5 120.4(3) . . ? B7 B11 Br5 122.4(3) . . ? B12 B11 Br5 122.4(3) . . ? B10 B12 B9 59.9(3) . . ? B10 B12 B7 107.3(3) . . ? B9 B12 B7 107.0(3) . . ? B10 B12 B11 59.7(3) . . ? B9 B12 B11 107.4(3) . . ? B7 B12 B11 59.8(3) . . ? B10 B12 B8 107.1(3) . . ? B9 B12 B8 59.5(3) . . ? B7 B12 B8 59.4(3) . . ? B11 B12 B8 107.0(3) . . ? B10 B12 Br6 122.9(3) . . ? B9 B12 Br6 123.0(3) . . ? B7 B12 Br6 121.2(3) . . ? B11 B12 Br6 121.7(3) . . ? B8 B12 Br6 122.2(3) . . ? O2' S1' O1' 114.1(5) . . ? S1' O1' Si1' 141.5(7) . . ? C3' Si1' C1' 123.2(9) . . ? C3' Si1' C5' 116.2(6) . . ? C1' Si1' C5' 107.7(6) . . ? C3' Si1' O1' 100.4(7) . . ? C1' Si1' O1' 98.4(8) . . ? C5' Si1' O1' 108.0(6) . . ? C2' C1' Si1' 120.1(7) . . ? C4' C3' Si1' 117.8(6) . . ? C6' C5' Si1' 118.7(6) . . ? O2D S1D O1D 114.6(9) . . ? S1D O1D Si1D 142.2(17) . . ? C1D Si1D C3D 129.3(19) . . ? C1D Si1D C5D 111.3(11) . . ? C3D Si1D C5D 104.7(14) . . ? C1D Si1D O1D 101(2) . . ? C3D Si1D O1D 103(2) . . ? C5D Si1D O1D 104.4(15) . . ? C2D C1D Si1D 119.0(9) . . ? C4D C3D Si1D 118.4(8) . . ? C6D C5D Si1D 118.7(8) . . ? 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 B3 C1 B2 C2 -108.6(5) . . . . ? B6 C1 B2 C2 107.5(5) . . . . ? B5 C1 B2 C2 143.3(5) . . . . ? B4 C1 B2 C2 -144.3(5) . . . . ? B3 C1 B2 B8 41.4(3) . . . . ? B6 C1 B2 B8 -102.5(4) . . . . ? B5 C1 B2 B8 -66.7(4) . . . . ? B4 C1 B2 B8 5.8(5) . . . . ? B3 C1 B2 B7 102.8(4) . . . . ? B6 C1 B2 B7 -41.1(3) . . . . ? B5 C1 B2 B7 -5.3(5) . . . . ? B4 C1 B2 B7 67.1(4) . . . . ? B3 C1 B2 B6 143.9(4) . . . . ? B5 C1 B2 B6 35.8(4) . . . . ? B4 C1 B2 B6 108.2(4) . . . . ? B6 C1 B2 B3 -143.9(4) . . . . ? B5 C1 B2 B3 -108.1(4) . . . . ? B4 C1 B2 B3 -35.6(4) . . . . ? B6 C1 B3 C3 143.7(5) . . . . ? B5 C1 B3 C3 -143.9(5) . . . . ? B2 C1 B3 C3 107.3(5) . . . . ? B4 C1 B3 C3 -108.5(5) . . . . ? B6 C1 B3 B8 -4.8(5) . . . . ? B5 C1 B3 B8 67.5(5) . . . . ? B2 C1 B3 B8 -41.2(3) . . . . ? B4 C1 B3 B8 102.9(4) . . . . ? B6 C1 B3 B9 -66.2(5) . . . . ? B5 C1 B3 B9 6.2(5) . . . . ? B2 C1 B3 B9 -102.6(4) . . . . ? B4 C1 B3 B9 41.5(3) . . . . ? B6 C1 B3 B4 -107.7(4) . . . . ? B5 C1 B3 B4 -35.3(4) . . . . ? B2 C1 B3 B4 -144.1(4) . . . . ? B6 C1 B3 B2 36.4(4) . . . . ? B5 C1 B3 B2 108.8(4) . . . . ? B4 C1 B3 B2 144.1(4) . . . . ? C2 B2 B3 C3 1.4(7) . . . . ? C1 B2 B3 C3 -112.3(5) . . . . ? B8 B2 B3 C3 116.4(5) . . . . ? B7 B2 B3 C3 154.0(4) . . . . ? B6 B2 B3 C3 -143.9(4) . . . . ? C2 B2 B3 C1 113.7(5) . . . . ? B8 B2 B3 C1 -131.3(4) . . . . ? B7 B2 B3 C1 -93.7(4) . . . . ? B6 B2 B3 C1 -31.6(3) . . . . ? C2 B2 B3 B8 -115.0(5) . . . . ? C1 B2 B3 B8 131.3(4) . . . . ? B7 B2 B3 B8 37.7(3) . . . . ? B6 B2 B3 B8 99.7(4) . . . . ? C2 B2 B3 B9 -151.6(5) . . . . ? C1 B2 B3 B9 94.8(4) . . . . ? B8 B2 B3 B9 -36.6(3) . . . . ? B7 B2 B3 B9 1.1(5) . . . . ? B6 B2 B3 B9 63.1(4) . . . . ? C2 B2 B3 B4 145.7(5) . . . . ? C1 B2 B3 B4 32.0(3) . . . . ? B8 B2 B3 B4 -99.3(4) . . . . ? B7 B2 B3 B4 -61.7(5) . . . . ? B6 B2 B3 B4 0.4(5) . . . . ? B3 C1 B4 C4 108.8(5) . . . . ? B6 C1 B4 C4 -142.9(5) . . . . ? B5 C1 B4 C4 -106.5(5) . . . . ? B2 C1 B4 C4 144.8(5) . . . . ? B3 C1 B4 B9 -42.0(3) . . . . ? B6 C1 B4 B9 66.4(5) . . . . ? B5 C1 B4 B9 102.8(4) . . . . ? B2 C1 B4 B9 -5.9(5) . . . . ? B3 C1 B4 B10 -103.6(4) . . . . ? B6 C1 B4 B10 4.7(5) . . . . ? B5 C1 B4 B10 41.2(3) . . . . ? B2 C1 B4 B10 -67.5(4) . . . . ? B6 C1 B4 B3 108.3(4) . . . . ? B5 C1 B4 B3 144.7(4) . . . . ? B2 C1 B4 B3 36.1(4) . . . . ? B3 C1 B4 B5 -144.7(4) . . . . ? B6 C1 B4 B5 -36.4(4) . . . . ? B2 C1 B4 B5 -108.7(4) . . . . ? C3 B3 B4 C4 0.5(7) . . . . ? C1 B3 B4 C4 -111.8(5) . . . . ? B8 B3 B4 C4 154.0(4) . . . . ? B9 B3 B4 C4 116.9(5) . . . . ? B2 B3 B4 C4 -143.5(4) . . . . ? C3 B3 B4 C1 112.3(5) . . . . ? B8 B3 B4 C1 -94.1(4) . . . . ? B9 B3 B4 C1 -131.3(3) . . . . ? B2 B3 B4 C1 -31.7(3) . . . . ? C3 B3 B4 B9 -116.4(5) . . . . ? C1 B3 B4 B9 131.3(3) . . . . ? B8 B3 B4 B9 37.2(3) . . . . ? B2 B3 B4 B9 99.6(4) . . . . ? C3 B3 B4 B10 -153.7(4) . . . . ? C1 B3 B4 B10 93.9(4) . . . . ? B8 B3 B4 B10 -0.2(5) . . . . ? B9 B3 B4 B10 -37.4(3) . . . . ? B2 B3 B4 B10 62.2(4) . . . . ? C3 B3 B4 B5 143.3(4) . . . . ? C1 B3 B4 B5 31.0(3) . . . . ? B8 B3 B4 B5 -63.2(4) . . . . ? B9 B3 B4 B5 -100.3(4) . . . . ? B2 B3 B4 B5 -0.7(5) . . . . ? B3 C1 B5 C5 142.6(5) . . . . ? B6 C1 B5 C5 -108.8(5) . . . . ? B2 C1 B5 C5 -144.6(5) . . . . ? B4 C1 B5 C5 107.5(5) . . . . ? B3 C1 B5 B11 -67.6(4) . . . . ? B6 C1 B5 B11 41.1(3) . . . . ? B2 C1 B5 B11 5.2(5) . . . . ? B4 C1 B5 B11 -102.6(4) . . . . ? B3 C1 B5 B10 -6.1(5) . . . . ? B6 C1 B5 B10 102.6(4) . . . . ? B2 C1 B5 B10 66.7(5) . . . . ? B4 C1 B5 B10 -41.1(3) . . . . ? B3 C1 B5 B6 -108.7(4) . . . . ? B2 C1 B5 B6 -35.8(4) . . . . ? B4 C1 B5 B6 -143.7(4) . . . . ? B3 C1 B5 B4 35.0(4) . . . . ? B6 C1 B5 B4 143.7(4) . . . . ? B2 C1 B5 B4 107.9(4) . . . . ? C4 B4 B5 C5 -0.6(7) . . . . ? C1 B4 B5 C5 -113.1(5) . . . . ? B9 B4 B5 C5 152.3(5) . . . . ? B10 B4 B5 C5 115.1(5) . . . . ? B3 B4 B5 C5 -144.1(5) . . . . ? C4 B4 B5 C1 112.5(5) . . . . ? B9 B4 B5 C1 -94.6(4) . . . . ? B10 B4 B5 C1 -131.8(4) . . . . ? B3 B4 B5 C1 -31.1(3) . . . . ? C4 B4 B5 B11 -152.7(5) . . . . ? C1 B4 B5 B11 94.9(4) . . . . ? B9 B4 B5 B11 0.3(5) . . . . ? B10 B4 B5 B11 -37.0(4) . . . . ? B3 B4 B5 B11 63.8(5) . . . . ? C4 B4 B5 B10 -115.7(5) . . . . ? C1 B4 B5 B10 131.8(4) . . . . ? B9 B4 B5 B10 37.3(4) . . . . ? B3 B4 B5 B10 100.8(4) . . . . ? C4 B4 B5 B6 144.3(5) . . . . ? C1 B4 B5 B6 31.9(3) . . . . ? B9 B4 B5 B6 -62.7(5) . . . . ? B10 B4 B5 B6 -100.0(4) . . . . ? B3 B4 B5 B6 0.8(5) . . . . ? B3 C1 B6 C6 -144.3(5) . . . . ? B5 C1 B6 C6 107.8(6) . . . . ? B2 C1 B6 C6 -107.8(6) . . . . ? B4 C1 B6 C6 144.2(5) . . . . ? B3 C1 B6 B7 5.1(5) . . . . ? B5 C1 B6 B7 -102.8(4) . . . . ? B2 C1 B6 B7 41.7(3) . . . . ? B4 C1 B6 B7 -66.3(5) . . . . ? B3 C1 B6 B11 67.2(5) . . . . ? B5 C1 B6 B11 -40.7(3) . . . . ? B2 C1 B6 B11 103.7(4) . . . . ? B4 C1 B6 B11 -4.3(5) . . . . ? B3 C1 B6 B5 107.9(4) . . . . ? B2 C1 B6 B5 144.4(4) . . . . ? B4 C1 B6 B5 36.4(4) . . . . ? B3 C1 B6 B2 -36.5(4) . . . . ? B5 C1 B6 B2 -144.4(4) . . . . ? B4 C1 B6 B2 -108.0(4) . . . . ? C5 B5 B6 C6 1.1(7) . . . . ? C1 B5 B6 C6 -111.4(5) . . . . ? B11 B5 B6 C6 116.4(5) . . . . ? B10 B5 B6 C6 154.0(4) . . . . ? B4 B5 B6 C6 -143.3(4) . . . . ? C5 B5 B6 C1 112.5(5) . . . . ? B11 B5 B6 C1 -132.2(4) . . . . ? B10 B5 B6 C1 -94.6(4) . . . . ? B4 B5 B6 C1 -32.0(3) . . . . ? C5 B5 B6 B7 -153.0(4) . . . . ? C1 B5 B6 B7 94.5(4) . . . . ? B11 B5 B6 B7 -37.7(3) . . . . ? B10 B5 B6 B7 -0.1(5) . . . . ? B4 B5 B6 B7 62.6(4) . . . . ? C5 B5 B6 B11 -115.3(5) . . . . ? C1 B5 B6 B11 132.2(4) . . . . ? B10 B5 B6 B11 37.6(3) . . . . ? B4 B5 B6 B11 100.2(4) . . . . ? C5 B5 B6 B2 143.9(4) . . . . ? C1 B5 B6 B2 31.4(3) . . . . ? B11 B5 B6 B2 -100.8(4) . . . . ? B10 B5 B6 B2 -63.2(4) . . . . ? B4 B5 B6 B2 -0.6(5) . . . . ? C2 B2 B6 C6 -2.8(7) . . . . ? C1 B2 B6 C6 111.4(5) . . . . ? B8 B2 B6 C6 -154.6(4) . . . . ? B7 B2 B6 C6 -117.3(5) . . . . ? B3 B2 B6 C6 142.9(4) . . . . ? C2 B2 B6 C1 -114.2(5) . . . . ? B8 B2 B6 C1 94.0(4) . . . . ? B7 B2 B6 C1 131.4(4) . . . . ? B3 B2 B6 C1 31.5(3) . . . . ? C2 B2 B6 B7 114.5(5) . . . . ? C1 B2 B6 B7 -131.4(4) . . . . ? B8 B2 B6 B7 -37.4(3) . . . . ? B3 B2 B6 B7 -99.8(4) . . . . ? C2 B2 B6 B11 151.8(4) . . . . ? C1 B2 B6 B11 -94.1(4) . . . . ? B8 B2 B6 B11 -0.1(5) . . . . ? B7 B2 B6 B11 37.3(3) . . . . ? B3 B2 B6 B11 -62.5(4) . . . . ? C2 B2 B6 B5 -145.6(4) . . . . ? C1 B2 B6 B5 -31.4(3) . . . . ? B8 B2 B6 B5 62.6(4) . . . . ? B7 B2 B6 B5 100.0(4) . . . . ? B3 B2 B6 B5 0.1(5) . . . . ? C6 B6 B7 B8 144.5(5) . . . . ? C1 B6 B7 B8 -3.1(5) . . . . ? B11 B6 B7 B8 -100.7(4) . . . . ? B5 B6 B7 B8 -63.6(4) . . . . ? B2 B6 B7 B8 37.8(3) . . . . ? C6 B6 B7 B2 106.7(6) . . . . ? C1 B6 B7 B2 -40.9(3) . . . . ? B11 B6 B7 B2 -138.5(4) . . . . ? B5 B6 B7 B2 -101.4(4) . . . . ? C6 B6 B7 B11 -114.8(6) . . . . ? C1 B6 B7 B11 97.6(4) . . . . ? B5 B6 B7 B11 37.2(3) . . . . ? B2 B6 B7 B11 138.5(4) . . . . ? C6 B6 B7 B12 -151.2(5) . . . . ? C1 B6 B7 B12 61.2(4) . . . . ? B11 B6 B7 B12 -36.4(3) . . . . ? B5 B6 B7 B12 0.7(5) . . . . ? B2 B6 B7 B12 102.1(4) . . . . ? C6 B6 B7 Br1 -2.9(7) . . . . ? C1 B6 B7 Br1 -150.5(3) . . . . ? B11 B6 B7 Br1 111.9(4) . . . . ? B5 B6 B7 Br1 149.0(3) . . . . ? B2 B6 B7 Br1 -109.6(4) . . . . ? C2 B2 B7 B6 -108.0(5) . . . . ? C1 B2 B7 B6 40.6(3) . . . . ? B8 B2 B7 B6 137.8(4) . . . . ? B3 B2 B7 B6 100.3(4) . . . . ? C2 B2 B7 B8 114.2(6) . . . . ? C1 B2 B7 B8 -97.2(4) . . . . ? B6 B2 B7 B8 -137.8(4) . . . . ? B3 B2 B7 B8 -37.5(3) . . . . ? C2 B2 B7 B11 -145.6(5) . . . . ? C1 B2 B7 B11 3.1(4) . . . . ? B8 B2 B7 B11 100.3(4) . . . . ? B6 B2 B7 B11 -37.6(3) . . . . ? B3 B2 B7 B11 62.8(4) . . . . ? C2 B2 B7 B12 150.2(5) . . . . ? C1 B2 B7 B12 -61.2(4) . . . . ? B8 B2 B7 B12 36.0(4) . . . . ? B6 B2 B7 B12 -101.8(4) . . . . ? B3 B2 B7 B12 -1.4(5) . . . . ? C2 B2 B7 Br1 3.8(7) . . . . ? C1 B2 B7 Br1 152.4(3) . . . . ? B8 B2 B7 Br1 -110.4(4) . . . . ? B6 B2 B7 Br1 111.8(4) . . . . ? B3 B2 B7 Br1 -147.9(3) . . . . ? C2 B2 B8 B9 146.7(4) . . . . ? C1 B2 B8 B9 -3.1(4) . . . . ? B7 B2 B8 B9 -100.1(4) . . . . ? B6 B2 B8 B9 -63.1(4) . . . . ? B3 B2 B8 B9 37.4(3) . . . . ? C2 B2 B8 B7 -113.3(5) . . . . ? C1 B2 B8 B7 96.9(4) . . . . ? B6 B2 B8 B7 37.0(3) . . . . ? B3 B2 B8 B7 137.5(4) . . . . ? C2 B2 B8 B3 109.3(5) . . . . ? C1 B2 B8 B3 -40.5(3) . . . . ? B7 B2 B8 B3 -137.5(4) . . . . ? B6 B2 B8 B3 -100.5(4) . . . . ? C2 B2 B8 B12 -149.2(4) . . . . ? C1 B2 B8 B12 61.0(4) . . . . ? B7 B2 B8 B12 -36.0(3) . . . . ? B6 B2 B8 B12 1.0(5) . . . . ? B3 B2 B8 B12 101.5(4) . . . . ? C2 B2 B8 Br2 0.5(6) . . . . ? C1 B2 B8 Br2 -149.3(3) . . . . ? B7 B2 B8 Br2 113.7(4) . . . . ? B6 B2 B8 Br2 150.7(3) . . . . ? B3 B2 B8 Br2 -108.8(4) . . . . ? B6 B7 B8 B2 -38.4(4) . . . . ? B11 B7 B8 B2 -102.3(4) . . . . ? B12 B7 B8 B2 -140.3(4) . . . . ? Br1 B7 B8 B2 109.2(4) . . . . ? B6 B7 B8 B9 64.4(4) . . . . ? B2 B7 B8 B9 102.8(4) . . . . ? B11 B7 B8 B9 0.5(4) . . . . ? B12 B7 B8 B9 -37.5(3) . . . . ? Br1 B7 B8 B9 -147.9(3) . . . . ? B6 B7 B8 B3 0.5(5) . . . . ? B2 B7 B8 B3 38.9(4) . . . . ? B11 B7 B8 B3 -63.4(4) . . . . ? B12 B7 B8 B3 -101.4(4) . . . . ? Br1 B7 B8 B3 148.1(3) . . . . ? B6 B7 B8 B12 101.9(4) . . . . ? B2 B7 B8 B12 140.3(4) . . . . ? B11 B7 B8 B12 38.0(3) . . . . ? Br1 B7 B8 B12 -110.4(4) . . . . ? B6 B7 B8 Br2 -146.5(3) . . . . ? B2 B7 B8 Br2 -108.1(4) . . . . ? B11 B7 B8 Br2 149.6(3) . . . . ? B12 B7 B8 Br2 111.6(4) . . . . ? Br1 B7 B8 Br2 1.2(5) . . . . ? C3 B3 B8 B2 -106.5(6) . . . . ? C1 B3 B8 B2 40.8(3) . . . . ? B9 B3 B8 B2 138.8(4) . . . . ? B4 B3 B8 B2 101.8(4) . . . . ? C3 B3 B8 B9 114.7(5) . . . . ? C1 B3 B8 B9 -98.0(4) . . . . ? B4 B3 B8 B9 -37.0(3) . . . . ? B2 B3 B8 B9 -138.8(4) . . . . ? C3 B3 B8 B7 -144.9(5) . . . . ? C1 B3 B8 B7 2.4(5) . . . . ? B9 B3 B8 B7 100.4(4) . . . . ? B4 B3 B8 B7 63.4(4) . . . . ? B2 B3 B8 B7 -38.4(3) . . . . ? C3 B3 B8 B12 151.1(5) . . . . ? C1 B3 B8 B12 -61.6(4) . . . . ? B9 B3 B8 B12 36.4(3) . . . . ? B4 B3 B8 B12 -0.6(5) . . . . ? B2 B3 B8 B12 -102.4(4) . . . . ? C3 B3 B8 Br2 3.8(6) . . . . ? C1 B3 B8 Br2 151.1(3) . . . . ? B9 B3 B8 Br2 -110.9(4) . . . . ? B4 B3 B8 Br2 -147.9(3) . . . . ? B2 B3 B8 Br2 110.3(4) . . . . ? C4 B4 B9 B8 -146.0(5) . . . . ? C1 B4 B9 B8 3.4(4) . . . . ? B10 B4 B9 B8 100.6(4) . . . . ? B3 B4 B9 B8 -37.6(3) . . . . ? B5 B4 B9 B8 63.5(5) . . . . ? C4 B4 B9 B10 113.4(6) . . . . ? C1 B4 B9 B10 -97.2(3) . . . . ? B3 B4 B9 B10 -138.2(4) . . . . ? B5 B4 B9 B10 -37.1(4) . . . . ? C4 B4 B9 B12 149.7(5) . . . . ? C1 B4 B9 B12 -60.9(4) . . . . ? B10 B4 B9 B12 36.3(3) . . . . ? B3 B4 B9 B12 -101.8(4) . . . . ? B5 B4 B9 B12 -0.8(5) . . . . ? C4 B4 B9 B3 -108.4(6) . . . . ? C1 B4 B9 B3 40.9(3) . . . . ? B10 B4 B9 B3 138.2(4) . . . . ? B5 B4 B9 B3 101.1(4) . . . . ? C4 B4 B9 Br3 1.1(7) . . . . ? C1 B4 B9 Br3 150.5(3) . . . . ? B10 B4 B9 Br3 -112.3(4) . . . . ? B3 B4 B9 Br3 109.6(4) . . . . ? B5 B4 B9 Br3 -149.4(3) . . . . ? B2 B8 B9 B4 -0.2(5) . . . . ? B7 B8 B9 B4 -64.3(4) . . . . ? B3 B8 B9 B4 37.8(3) . . . . ? B12 B8 B9 B4 -101.8(4) . . . . ? Br2 B8 B9 B4 145.7(3) . . . . ? B2 B8 B9 B10 63.8(4) . . . . ? B7 B8 B9 B10 -0.2(5) . . . . ? B3 B8 B9 B10 101.8(4) . . . . ? B12 B8 B9 B10 -37.8(3) . . . . ? Br2 B8 B9 B10 -150.3(3) . . . . ? B2 B8 B9 B12 101.7(4) . . . . ? B7 B8 B9 B12 37.6(3) . . . . ? B3 B8 B9 B12 139.6(4) . . . . ? Br2 B8 B9 B12 -112.5(4) . . . . ? B2 B8 B9 B3 -37.9(3) . . . . ? B7 B8 B9 B3 -102.0(4) . . . . ? B12 B8 B9 B3 -139.6(4) . . . . ? Br2 B8 B9 B3 107.9(4) . . . . ? B2 B8 B9 Br3 -147.2(3) . . . . ? B7 B8 B9 Br3 148.8(3) . . . . ? B3 B8 B9 Br3 -109.2(4) . . . . ? B12 B8 B9 Br3 111.2(4) . . . . ? Br2 B8 B9 Br3 -1.3(5) . . . . ? C3 B3 B9 B4 107.4(5) . . . . ? C1 B3 B9 B4 -41.4(3) . . . . ? B8 B3 B9 B4 -138.1(4) . . . . ? B2 B3 B9 B4 -101.7(4) . . . . ? C3 B3 B9 B8 -114.5(5) . . . . ? C1 B3 B9 B8 96.7(3) . . . . ? B4 B3 B9 B8 138.1(4) . . . . ? B2 B3 B9 B8 36.3(3) . . . . ? C3 B3 B9 B10 145.3(5) . . . . ? C1 B3 B9 B10 -3.5(4) . . . . ? B8 B3 B9 B10 -100.2(4) . . . . ? B4 B3 B9 B10 37.8(3) . . . . ? B2 B3 B9 B10 -63.9(4) . . . . ? C3 B3 B9 B12 -151.2(5) . . . . ? C1 B3 B9 B12 60.0(4) . . . . ? B8 B3 B9 B12 -36.7(3) . . . . ? B4 B3 B9 B12 101.4(4) . . . . ? B2 B3 B9 B12 -0.4(5) . . . . ? C3 B3 B9 Br3 -3.4(7) . . . . ? C1 B3 B9 Br3 -152.2(3) . . . . ? B8 B3 B9 Br3 111.1(4) . . . . ? B4 B3 B9 Br3 -110.8(4) . . . . ? B2 B3 B9 Br3 147.4(3) . . . . ? B4 B9 B10 B12 139.6(4) . . . . ? B8 B9 B10 B12 38.2(3) . . . . ? B3 B9 B10 B12 101.8(4) . . . . ? Br3 B9 B10 B12 -110.4(4) . . . . ? B4 B9 B10 B11 101.2(4) . . . . ? B8 B9 B10 B11 -0.1(5) . . . . ? B12 B9 B10 B11 -38.3(3) . . . . ? B3 B9 B10 B11 63.5(4) . . . . ? Br3 B9 B10 B11 -148.7(3) . . . . ? B8 B9 B10 B4 -101.4(4) . . . . ? B12 B9 B10 B4 -139.6(4) . . . . ? B3 B9 B10 B4 -37.8(3) . . . . ? Br3 B9 B10 B4 110.0(4) . . . . ? B4 B9 B10 B5 38.0(3) . . . . ? B8 B9 B10 B5 -63.4(4) . . . . ? B12 B9 B10 B5 -101.6(4) . . . . ? B3 B9 B10 B5 0.2(5) . . . . ? Br3 B9 B10 B5 148.0(3) . . . . ? B4 B9 B10 Br4 -109.6(4) . . . . ? B8 B9 B10 Br4 149.0(3) . . . . ? B12 B9 B10 Br4 110.8(4) . . . . ? B3 B9 B10 Br4 -147.4(3) . . . . ? Br3 B9 B10 Br4 0.4(5) . . . . ? C4 B4 B10 B12 -152.0(5) . . . . ? C1 B4 B10 B12 61.3(4) . . . . ? B9 B4 B10 B12 -36.5(3) . . . . ? B3 B4 B10 B12 1.0(5) . . . . ? B5 B4 B10 B12 101.6(4) . . . . ? C4 B4 B10 B11 143.6(5) . . . . ? C1 B4 B10 B11 -3.1(5) . . . . ? B9 B4 B10 B11 -100.9(4) . . . . ? B3 B4 B10 B11 -63.4(5) . . . . ? B5 B4 B10 B11 37.2(4) . . . . ? C4 B4 B10 B9 -115.5(5) . . . . ? C1 B4 B10 B9 97.8(4) . . . . ? B3 B4 B10 B9 37.5(3) . . . . ? B5 B4 B10 B9 138.2(4) . . . . ? C4 B4 B10 B5 106.3(5) . . . . ? C1 B4 B10 B5 -40.3(3) . . . . ? B9 B4 B10 B5 -138.2(4) . . . . ? B3 B4 B10 B5 -100.7(4) . . . . ? C4 B4 B10 Br4 -4.3(7) . . . . ? C1 B4 B10 Br4 -151.0(3) . . . . ? B9 B4 B10 Br4 111.2(4) . . . . ? B3 B4 B10 Br4 148.7(3) . . . . ? B5 B4 B10 Br4 -110.6(4) . . . . ? C5 B5 B10 B12 151.1(4) . . . . ? C1 B5 B10 B12 -60.8(4) . . . . ? B11 B5 B10 B12 37.0(3) . . . . ? B6 B5 B10 B12 -0.6(5) . . . . ? B4 B5 B10 B12 -101.4(4) . . . . ? C5 B5 B10 B11 114.1(5) . . . . ? C1 B5 B10 B11 -97.8(4) . . . . ? B6 B5 B10 B11 -37.6(3) . . . . ? B4 B5 B10 B11 -138.4(4) . . . . ? C5 B5 B10 B9 -144.9(4) . . . . ? C1 B5 B10 B9 3.3(4) . . . . ? B11 B5 B10 B9 101.1(4) . . . . ? B6 B5 B10 B9 63.5(4) . . . . ? B4 B5 B10 B9 -37.3(3) . . . . ? C5 B5 B10 B4 -107.5(5) . . . . ? C1 B5 B10 B4 40.6(3) . . . . ? B11 B5 B10 B4 138.4(4) . . . . ? B6 B5 B10 B4 100.8(4) . . . . ? C5 B5 B10 Br4 3.1(6) . . . . ? C1 B5 B10 Br4 151.2(3) . . . . ? B11 B5 B10 Br4 -111.0(4) . . . . ? B6 B5 B10 Br4 -148.6(3) . . . . ? B4 B5 B10 Br4 110.6(4) . . . . ? C5 B5 B11 B10 -113.5(6) . . . . ? C1 B5 B11 B10 97.4(4) . . . . ? B6 B5 B11 B10 137.6(4) . . . . ? B4 B5 B11 B10 36.8(4) . . . . ? C5 B5 B11 B6 108.9(5) . . . . ? C1 B5 B11 B6 -40.2(3) . . . . ? B10 B5 B11 B6 -137.6(4) . . . . ? B4 B5 B11 B6 -100.8(4) . . . . ? C5 B5 B11 B7 146.4(5) . . . . ? C1 B5 B11 B7 -2.8(4) . . . . ? B10 B5 B11 B7 -100.2(4) . . . . ? B6 B5 B11 B7 37.4(3) . . . . ? B4 B5 B11 B7 -63.3(5) . . . . ? C5 B5 B11 B12 -150.0(5) . . . . ? C1 B5 B11 B12 60.9(4) . . . . ? B10 B5 B11 B12 -36.5(3) . . . . ? B6 B5 B11 B12 101.1(4) . . . . ? B4 B5 B11 B12 0.3(5) . . . . ? C5 B5 B11 Br5 -1.3(7) . . . . ? C1 B5 B11 Br5 -150.5(3) . . . . ? B10 B5 B11 Br5 112.1(4) . . . . ? B6 B5 B11 Br5 -110.3(4) . . . . ? B4 B5 B11 Br5 148.9(3) . . . . ? B12 B10 B11 B5 -139.2(4) . . . . ? B9 B10 B11 B5 -101.0(4) . . . . ? B4 B10 B11 B5 -37.8(4) . . . . ? Br4 B10 B11 B5 109.7(4) . . . . ? B12 B10 B11 B6 -100.6(4) . . . . ? B9 B10 B11 B6 -62.4(5) . . . . ? B4 B10 B11 B6 0.8(5) . . . . ? B5 B10 B11 B6 38.6(4) . . . . ? Br4 B10 B11 B6 148.4(4) . . . . ? B12 B10 B11 B7 -37.7(3) . . . . ? B9 B10 B11 B7 0.4(5) . . . . ? B4 B10 B11 B7 63.6(4) . . . . ? B5 B10 B11 B7 101.5(4) . . . . ? Br4 B10 B11 B7 -148.8(3) . . . . ? B9 B10 B11 B12 38.2(3) . . . . ? B4 B10 B11 B12 101.4(4) . . . . ? B5 B10 B11 B12 139.2(4) . . . . ? Br4 B10 B11 B12 -111.1(4) . . . . ? B12 B10 B11 Br5 111.5(4) . . . . ? B9 B10 B11 Br5 149.7(3) . . . . ? B4 B10 B11 Br5 -147.1(3) . . . . ? B5 B10 B11 Br5 -109.3(4) . . . . ? Br4 B10 B11 Br5 0.4(6) . . . . ? C6 B6 B11 B5 -106.6(6) . . . . ? C1 B6 B11 B5 40.3(3) . . . . ? B7 B6 B11 B5 137.8(3) . . . . ? B2 B6 B11 B5 100.8(4) . . . . ? C6 B6 B11 B10 -144.9(5) . . . . ? C1 B6 B11 B10 1.9(5) . . . . ? B7 B6 B11 B10 99.5(4) . . . . ? B5 B6 B11 B10 -38.4(4) . . . . ? B2 B6 B11 B10 62.4(5) . . . . ? C6 B6 B11 B7 115.6(6) . . . . ? C1 B6 B11 B7 -97.6(4) . . . . ? B5 B6 B11 B7 -137.8(3) . . . . ? B2 B6 B11 B7 -37.1(3) . . . . ? C6 B6 B11 B12 151.7(5) . . . . ? C1 B6 B11 B12 -61.4(4) . . . . ? B7 B6 B11 B12 36.2(3) . . . . ? B5 B6 B11 B12 -101.7(4) . . . . ? B2 B6 B11 B12 -0.9(5) . . . . ? C6 B6 B11 Br5 3.6(7) . . . . ? C1 B6 B11 Br5 150.4(3) . . . . ? B7 B6 B11 Br5 -112.0(4) . . . . ? B5 B6 B11 Br5 110.2(4) . . . . ? B2 B6 B11 Br5 -149.0(3) . . . . ? B6 B7 B11 B5 -38.2(3) . . . . ? B8 B7 B11 B5 63.4(4) . . . . ? B2 B7 B11 B5 -0.2(5) . . . . ? B12 B7 B11 B5 101.5(4) . . . . ? Br1 B7 B11 B5 -148.7(3) . . . . ? B6 B7 B11 B10 -102.1(4) . . . . ? B8 B7 B11 B10 -0.6(4) . . . . ? B2 B7 B11 B10 -64.1(4) . . . . ? B12 B7 B11 B10 37.6(3) . . . . ? Br1 B7 B11 B10 147.3(3) . . . . ? B8 B7 B11 B6 101.6(4) . . . . ? B2 B7 B11 B6 38.0(3) . . . . ? B12 B7 B11 B6 139.7(3) . . . . ? Br1 B7 B11 B6 -110.5(4) . . . . ? B6 B7 B11 B12 -139.7(3) . . . . ? B8 B7 B11 B12 -38.1(3) . . . . ? B2 B7 B11 B12 -101.7(4) . . . . ? Br1 B7 B11 B12 109.7(4) . . . . ? B6 B7 B11 Br5 108.7(4) . . . . ? B8 B7 B11 Br5 -149.7(3) . . . . ? B2 B7 B11 Br5 146.7(3) . . . . ? B12 B7 B11 Br5 -111.6(4) . . . . ? Br1 B7 B11 Br5 -1.8(5) . . . . ? B11 B10 B12 B9 137.6(4) . . . . ? B4 B10 B12 B9 36.2(3) . . . . ? B5 B10 B12 B9 101.0(4) . . . . ? Br4 B10 B12 B9 -111.3(4) . . . . ? B11 B10 B12 B7 37.6(3) . . . . ? B9 B10 B12 B7 -100.0(4) . . . . ? B4 B10 B12 B7 -63.8(4) . . . . ? B5 B10 B12 B7 1.0(4) . . . . ? Br4 B10 B12 B7 148.7(3) . . . . ? B9 B10 B12 B11 -137.6(4) . . . . ? B4 B10 B12 B11 -101.4(4) . . . . ? B5 B10 B12 B11 -36.6(3) . . . . ? Br4 B10 B12 B11 111.1(4) . . . . ? B11 B10 B12 B8 100.1(4) . . . . ? B9 B10 B12 B8 -37.5(3) . . . . ? B4 B10 B12 B8 -1.3(5) . . . . ? B5 B10 B12 B8 63.5(4) . . . . ? Br4 B10 B12 B8 -148.8(3) . . . . ? B11 B10 B12 Br6 -110.3(4) . . . . ? B9 B10 B12 Br6 112.1(4) . . . . ? B4 B10 B12 Br6 148.3(3) . . . . ? B5 B10 B12 Br6 -146.9(3) . . . . ? Br4 B10 B12 Br6 0.8(5) . . . . ? B4 B9 B12 B10 -36.6(4) . . . . ? B8 B9 B12 B10 -137.5(4) . . . . ? B3 B9 B12 B10 -101.0(4) . . . . ? Br3 B9 B12 B10 111.7(4) . . . . ? B4 B9 B12 B7 63.8(5) . . . . ? B8 B9 B12 B7 -37.0(3) . . . . ? B10 B9 B12 B7 100.5(4) . . . . ? B3 B9 B12 B7 -0.5(5) . . . . ? Br3 B9 B12 B7 -147.8(3) . . . . ? B4 B9 B12 B11 0.9(5) . . . . ? B8 B9 B12 B11 -99.9(4) . . . . ? B10 B9 B12 B11 37.6(3) . . . . ? B3 B9 B12 B11 -63.4(5) . . . . ? Br3 B9 B12 B11 149.3(3) . . . . ? B4 B9 B12 B8 100.8(4) . . . . ? B10 B9 B12 B8 137.5(4) . . . . ? B3 B9 B12 B8 36.5(3) . . . . ? Br3 B9 B12 B8 -110.8(4) . . . . ? B4 B9 B12 Br6 -148.5(4) . . . . ? B8 B9 B12 Br6 110.7(4) . . . . ? B10 B9 B12 Br6 -111.8(4) . . . . ? B3 B9 B12 Br6 147.2(3) . . . . ? Br3 B9 B12 Br6 -0.1(6) . . . . ? B6 B7 B12 B10 -1.1(5) . . . . ? B8 B7 B12 B10 100.0(4) . . . . ? B2 B7 B12 B10 64.2(4) . . . . ? B11 B7 B12 B10 -37.6(3) . . . . ? Br1 B7 B12 B10 -149.6(3) . . . . ? B6 B7 B12 B9 -64.1(4) . . . . ? B8 B7 B12 B9 37.0(3) . . . . ? B2 B7 B12 B9 1.2(5) . . . . ? B11 B7 B12 B9 -100.6(4) . . . . ? Br1 B7 B12 B9 147.4(3) . . . . ? B6 B7 B12 B11 36.5(3) . . . . ? B8 B7 B12 B11 137.6(3) . . . . ? B2 B7 B12 B11 101.8(4) . . . . ? Br1 B7 B12 B11 -112.0(4) . . . . ? B6 B7 B12 B8 -101.1(4) . . . . ? B2 B7 B12 B8 -35.8(3) . . . . ? B11 B7 B12 B8 -137.6(3) . . . . ? Br1 B7 B12 B8 110.4(4) . . . . ? B6 B7 B12 Br6 147.5(3) . . . . ? B8 B7 B12 Br6 -111.4(4) . . . . ? B2 B7 B12 Br6 -147.2(3) . . . . ? B11 B7 B12 Br6 111.0(4) . . . . ? Br1 B7 B12 Br6 -1.0(5) . . . . ? B5 B11 B12 B10 36.9(4) . . . . ? B6 B11 B12 B10 101.7(4) . . . . ? B7 B11 B12 B10 137.6(3) . . . . ? Br5 B11 B12 B10 -110.9(4) . . . . ? B5 B11 B12 B9 -0.8(5) . . . . ? B10 B11 B12 B9 -37.7(3) . . . . ? B6 B11 B12 B9 64.0(4) . . . . ? B7 B11 B12 B9 99.9(4) . . . . ? Br5 B11 B12 B9 -148.6(3) . . . . ? B5 B11 B12 B7 -100.7(4) . . . . ? B10 B11 B12 B7 -137.6(3) . . . . ? B6 B11 B12 B7 -35.9(3) . . . . ? Br5 B11 B12 B7 111.5(4) . . . . ? B5 B11 B12 B8 -63.3(5) . . . . ? B10 B11 B12 B8 -100.2(4) . . . . ? B6 B11 B12 B8 1.5(5) . . . . ? B7 B11 B12 B8 37.4(3) . . . . ? Br5 B11 B12 B8 148.9(3) . . . . ? B5 B11 B12 Br6 149.1(3) . . . . ? B10 B11 B12 Br6 112.2(4) . . . . ? B6 B11 B12 Br6 -146.1(3) . . . . ? B7 B11 B12 Br6 -110.2(4) . . . . ? Br5 B11 B12 Br6 1.3(6) . . . . ? B2 B8 B12 B10 -64.3(4) . . . . ? B9 B8 B12 B10 37.7(3) . . . . ? B7 B8 B12 B10 -100.3(4) . . . . ? B3 B8 B12 B10 1.2(5) . . . . ? Br2 B8 B12 B10 147.0(3) . . . . ? B2 B8 B12 B9 -102.0(4) . . . . ? B7 B8 B12 B9 -138.0(4) . . . . ? B3 B8 B12 B9 -36.5(3) . . . . ? Br2 B8 B12 B9 109.3(4) . . . . ? B2 B8 B12 B7 36.0(3) . . . . ? B9 B8 B12 B7 138.0(4) . . . . ? B3 B8 B12 B7 101.5(4) . . . . ? Br2 B8 B12 B7 -112.7(4) . . . . ? B2 B8 B12 B11 -1.5(5) . . . . ? B9 B8 B12 B11 100.5(4) . . . . ? B7 B8 B12 B11 -37.6(3) . . . . ? B3 B8 B12 B11 64.0(4) . . . . ? Br2 B8 B12 B11 -150.2(3) . . . . ? B2 B8 B12 Br6 145.8(3) . . . . ? B9 B8 B12 Br6 -112.1(4) . . . . ? B7 B8 B12 Br6 109.8(4) . . . . ? B3 B8 B12 Br6 -148.7(3) . . . . ? Br2 B8 B12 Br6 -2.8(5) . . . . ? O2' S1' O1' Si1' 21(2) . . . . ? S1' O1' Si1' C3' -111.6(19) . . . . ? S1' O1' Si1' C1' 122.3(18) . . . . ? S1' O1' Si1' C5' 11(2) . . . . ? C3' Si1' C1' C2' -49(2) . . . . ? C5' Si1' C1' C2' 171.2(15) . . . . ? O1' Si1' C1' C2' 59.2(17) . . . . ? C1' Si1' C3' C4' 45.8(19) . . . . ? C5' Si1' C3' C4' -177.7(15) . . . . ? O1' Si1' C3' C4' -61.5(17) . . . . ? C3' Si1' C5' C6' 23.5(13) . . . . ? C1' Si1' C5' C6' 166.4(12) . . . . ? O1' Si1' C5' C6' -88.3(11) . . . . ? O2D S1D O1D Si1D -12(6) . . . . ? S1D O1D Si1D C1D 115(5) . . . . ? S1D O1D Si1D C3D -109(5) . . . . ? S1D O1D Si1D C5D 0(6) . . . . ? C3D Si1D C1D C2D -48(5) . . . . ? C5D Si1D C1D C2D 180(3) . . . . ? O1D Si1D C1D C2D 70(4) . . . . ? C1D Si1D C3D C4D 50(5) . . . . ? C5D Si1D C3D C4D -176(3) . . . . ? O1D Si1D C3D C4D -67(4) . . . . ? C1D Si1D C5D C6D -26(3) . . . . ? C3D Si1D C5D C6D -170(3) . . . . ? O1D Si1D C5D C6D 82(3) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 26.37 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.901 _refine_diff_density_min -0.512 _refine_diff_density_rms 0.106 data_cr421m _database_code_depnum_ccdc_archive 'CCDC 280853' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C16 H26 B11 Cl13 Si' _chemical_formula_weight 826.22 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' Si Si 0.0817 0.0704 '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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/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 14.9219(10) _cell_length_b 13.6733(9) _cell_length_c 18.5433(13) _cell_angle_alpha 90.00 _cell_angle_beta 110.906(2) _cell_angle_gamma 90.00 _cell_volume 3534.3(4) _cell_formula_units_Z 4 _cell_measurement_temperature 223(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description 'prism frag' _exptl_crystal_colour colorless _exptl_crystal_size_max 0.44 _exptl_crystal_size_mid 0.33 _exptl_crystal_size_min 0.14 _exptl_crystal_density_meas 0 _exptl_crystal_density_diffrn 1.553 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1648 _exptl_absorpt_coefficient_mu 1.063 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6519 _exptl_absorpt_correction_T_max 0.8654 _exptl_absorpt_process_details 'Bruker SADABS' _exptl_special_details ; ? ; _diffrn_ambient_temperature 223(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Normal-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 38098 _diffrn_reflns_av_R_equivalents 0.0365 _diffrn_reflns_av_sigmaI/netI 0.0279 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.46 _diffrn_reflns_theta_max 28.28 _reflns_number_total 8766 _reflns_number_gt 7027 _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^)+(0.0453P)^2^+1.3835P] 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 8766 _refine_ls_number_parameters 475 _refine_ls_number_restraints 77 _refine_ls_R_factor_all 0.0456 _refine_ls_R_factor_gt 0.0320 _refine_ls_wR_factor_ref 0.0894 _refine_ls_wR_factor_gt 0.0789 _refine_ls_goodness_of_fit_ref 1.031 _refine_ls_restrained_S_all 1.028 _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 C1 C 0.10457(12) 0.65148(12) -0.00040(10) 0.0268(3) Uani 1 1 d . . . H1 H 0.0505 0.6076 -0.0457 0.042(6) Uiso 1 1 calc R . . B2 B 0.09774(14) 0.65242(13) 0.09015(11) 0.0253(4) Uani 1 1 d . . . B3 B 0.19176(14) 0.58890(13) 0.07070(11) 0.0264(4) Uani 1 1 d . . . B4 B 0.21839(15) 0.65558(15) -0.00225(12) 0.0297(4) Uani 1 1 d . . . B5 B 0.14141(15) 0.76043(15) -0.02787(12) 0.0297(4) Uani 1 1 d . . . B6 B 0.06669(14) 0.75750(14) 0.02902(12) 0.0273(4) Uani 1 1 d . . . B7 B 0.14139(14) 0.76927(13) 0.12811(11) 0.0257(4) Uani 1 1 d . . . B8 B 0.21853(14) 0.66499(13) 0.15361(11) 0.0243(4) Uani 1 1 d . . . B9 B 0.29374(14) 0.66667(14) 0.09626(12) 0.0275(4) Uani 1 1 d . . . B10 B 0.26263(15) 0.77303(15) 0.03534(12) 0.0289(4) Uani 1 1 d . . . B11 B 0.16795(14) 0.83629(14) 0.05509(12) 0.0271(4) Uani 1 1 d . . . B12 B 0.26254(13) 0.77861(14) 0.13160(11) 0.0254(4) Uani 1 1 d . . . Cl2 Cl 0.00711(3) 0.58722(3) 0.11061(3) 0.03748(11) Uani 1 1 d . . . Cl3 Cl 0.19526(4) 0.45953(3) 0.07242(3) 0.03876(11) Uani 1 1 d . . . Cl4 Cl 0.24738(4) 0.59247(4) -0.07423(3) 0.04785(13) Uani 1 1 d . . . Cl5 Cl 0.09727(4) 0.80111(4) -0.12436(3) 0.04645(13) Uani 1 1 d . . . Cl6 Cl -0.05469(3) 0.79411(4) -0.01264(3) 0.04365(13) Uani 1 1 d . . . Cl7 Cl 0.10218(4) 0.82783(3) 0.19700(3) 0.03857(11) Uani 1 1 d . . . Cl8 Cl 0.25834(4) 0.61631(3) 0.24883(3) 0.03662(11) Uani 1 1 d . . . Cl9 Cl 0.41164(3) 0.61711(4) 0.13168(3) 0.04374(13) Uani 1 1 d . . . Cl10 Cl 0.34788(4) 0.83652(4) 0.00596(3) 0.04684(13) Uani 1 1 d . . . Cl11 Cl 0.15254(4) 0.96512(3) 0.04778(3) 0.04346(12) Uani 1 1 d . . . Cl12 Cl 0.34964(3) 0.84826(4) 0.20435(3) 0.03884(11) Uani 1 1 d . . . Si1' Si 0.25412(4) 0.23107(3) 0.83074(3) 0.02845(11) Uani 1 1 d . . . C1' C 0.14206(13) 0.15918(13) 0.81022(11) 0.0333(4) Uani 1 1 d . A . H1' H 0.0944 0.2041 0.8181 0.047(6) Uiso 1 1 calc R . . C2' C 0.14691(16) 0.07009(16) 0.86101(14) 0.0453(5) Uani 1 1 d . . . H2'1 H 0.0829 0.0440 0.8496 0.053(7) Uiso 1 1 calc R A . H2'2 H 0.1736 0.0891 0.9149 0.080(10) Uiso 1 1 calc R . . H2'3 H 0.1873 0.0205 0.8508 0.063(8) Uiso 1 1 calc R . . C3' C 0.10319(17) 0.13077(17) 0.72478(13) 0.0487(5) Uani 1 1 d . . . H3'1 H 0.1449 0.0821 0.7152 0.062(8) Uiso 1 1 calc R A . H3'2 H 0.1009 0.1882 0.6935 0.062(8) Uiso 1 1 calc R . . H3'3 H 0.0391 0.1040 0.7115 0.085(10) Uiso 1 1 calc R . . C4' C 0.37408(14) 0.17307(14) 0.85292(12) 0.0367(4) Uani 1 1 d . A . H4' H 0.4233 0.2222 0.8799 0.046(6) Uiso 1 1 calc R . . C5' C 0.38343(19) 0.1522(2) 0.77369(16) 0.0556(6) Uani 1 1 d . . . H5'1 H 0.4462 0.1248 0.7818 0.080(10) Uiso 1 1 calc R A . H5'2 H 0.3756 0.2127 0.7448 0.059(8) Uiso 1 1 calc R . . H5'3 H 0.3343 0.1060 0.7450 0.073(9) Uiso 1 1 calc R . . C6' C 0.39586(17) 0.07991(16) 0.90173(14) 0.0470(5) Uani 1 1 d . . . H6'1 H 0.3497 0.0297 0.8758 0.065(8) Uiso 1 1 calc R A . H6'2 H 0.3916 0.0935 0.9517 0.073(9) Uiso 1 1 calc R . . H6'3 H 0.4601 0.0574 0.9086 0.063(8) Uiso 1 1 calc R . . C7' C 0.23603(16) 0.34495(14) 0.77225(12) 0.0385(4) Uani 1 1 d . A . H7' H 0.2283 0.3237 0.7193 0.063(8) Uiso 1 1 calc R . . C8' C 0.32323(18) 0.41399(17) 0.79791(16) 0.0527(6) Uani 1 1 d . . . H8'1 H 0.3108 0.4694 0.7630 0.067(8) Uiso 1 1 calc R A . H8'2 H 0.3794 0.3791 0.7970 0.072(9) Uiso 1 1 calc R . . H8'3 H 0.3345 0.4370 0.8499 0.059(8) Uiso 1 1 calc R . . C9' C 0.14363(17) 0.40005(16) 0.76494(15) 0.0502(6) Uani 1 1 d . . . H9'1 H 0.1494 0.4275 0.8146 0.064(8) Uiso 1 1 calc R A . H9'2 H 0.0897 0.3552 0.7481 0.060(8) Uiso 1 1 calc R . . H9'3 H 0.1333 0.4523 0.7275 0.081(10) Uiso 1 1 calc R . . C1S C 0.34641(15) 0.24611(15) 1.02683(12) 0.0311(4) Uani 0.919(2) 1 d PD A 1 C2S C 0.44008(16) 0.27951(16) 1.05522(13) 0.0384(5) Uani 0.919(2) 1 d PD A 1 C3S C 0.5060(2) 0.2293(3) 1.11598(19) 0.0476(7) Uani 0.919(2) 1 d PD A 1 H3S H 0.5703 0.2499 1.1358 0.052(8) Uiso 0.919(2) 1 calc PR A 1 C4S C 0.47764(19) 0.1494(2) 1.14736(14) 0.0520(7) Uani 0.919(2) 1 d PD A 1 H4S H 0.5228 0.1159 1.1888 0.054(8) Uiso 0.919(2) 1 calc PR A 1 C5S C 0.3834(2) 0.1174(2) 1.11889(17) 0.0479(6) Uani 0.919(2) 1 d PD A 1 H5S H 0.3650 0.0626 1.1409 0.070(9) Uiso 0.919(2) 1 calc PR A 1 C6S C 0.3159(3) 0.1666(3) 1.0575(2) 0.0401(7) Uani 0.919(2) 1 d PD A 1 H6S H 0.2515 0.1461 1.0376 0.049(7) Uiso 0.919(2) 1 calc PR A 1 Cl1S Cl 0.26044(8) 0.30562(7) 0.94781(7) 0.0347(3) Uani 0.919(2) 1 d PD A 1 Cl2S Cl 0.47535(7) 0.38007(6) 1.01618(5) 0.0631(3) Uani 0.919(2) 1 d PD A 1 C1D C 0.3688(12) 0.3025(12) 1.0124(10) 0.048(5) Uani 0.081(2) 1 d PDU A 2 C2D C 0.3992(14) 0.2385(12) 1.0712(10) 0.053(5) Uani 0.081(2) 1 d PDU A 2 C3D C 0.4917(16) 0.2418(19) 1.1248(14) 0.052(7) Uani 0.081(2) 1 d PDU A 2 H3DA H 0.5125 0.1970 1.1659 0.062 Uiso 0.081(2) 1 calc PR A 2 C4D C 0.5523(15) 0.3126(18) 1.1160(13) 0.061(7) Uani 0.081(2) 1 d PDU A 2 H4DA H 0.6156 0.3162 1.1513 0.074 Uiso 0.081(2) 1 calc PR A 2 C5D C 0.5212(16) 0.3789(17) 1.0557(13) 0.065(8) Uani 0.081(2) 1 d PDU A 2 H5DA H 0.5635 0.4271 1.0506 0.078 Uiso 0.081(2) 1 calc PR A 2 C6D C 0.4265(14) 0.3747(15) 1.0017(13) 0.061(8) Uani 0.081(2) 1 d PDU A 2 H6DA H 0.4042 0.4192 0.9605 0.073 Uiso 0.081(2) 1 calc PR A 2 Cl1D Cl 0.2511(12) 0.3009(15) 0.9423(11) 0.075(6) Uani 0.081(2) 1 d PDU A 2 Cl2D Cl 0.3268(11) 0.1489(11) 1.0845(7) 0.069(4) Uani 0.081(2) 1 d PDU 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 C1 0.0258(8) 0.0263(8) 0.0254(8) -0.0008(6) 0.0055(7) -0.0005(6) B2 0.0231(9) 0.0244(8) 0.0283(9) -0.0003(7) 0.0090(7) -0.0010(7) B3 0.0288(10) 0.0220(8) 0.0274(9) -0.0020(7) 0.0087(8) 0.0019(7) B4 0.0320(10) 0.0325(9) 0.0263(10) -0.0040(8) 0.0124(8) -0.0002(8) B5 0.0309(10) 0.0301(9) 0.0259(10) 0.0031(7) 0.0072(8) -0.0007(8) B6 0.0232(9) 0.0250(8) 0.0313(10) 0.0023(7) 0.0068(8) 0.0021(7) B7 0.0257(9) 0.0240(8) 0.0291(9) -0.0007(7) 0.0118(8) 0.0012(7) B8 0.0246(9) 0.0240(8) 0.0230(9) 0.0005(7) 0.0071(7) 0.0020(7) B9 0.0239(9) 0.0305(9) 0.0280(10) -0.0026(7) 0.0090(7) 0.0018(7) B10 0.0275(10) 0.0323(9) 0.0286(10) -0.0014(8) 0.0120(8) -0.0045(8) B11 0.0268(9) 0.0241(8) 0.0301(10) 0.0010(7) 0.0098(8) -0.0007(7) B12 0.0228(9) 0.0265(8) 0.0264(9) -0.0045(7) 0.0083(7) -0.0033(7) Cl2 0.0307(2) 0.0358(2) 0.0480(3) 0.00393(19) 0.0165(2) -0.00714(17) Cl3 0.0507(3) 0.0238(2) 0.0400(3) -0.00320(17) 0.0139(2) 0.00471(18) Cl4 0.0593(3) 0.0532(3) 0.0381(3) -0.0134(2) 0.0260(2) 0.0024(2) Cl5 0.0547(3) 0.0509(3) 0.0269(2) 0.0097(2) 0.0061(2) -0.0040(2) Cl6 0.0255(2) 0.0425(3) 0.0553(3) 0.0073(2) 0.0052(2) 0.00842(19) Cl7 0.0420(3) 0.0380(2) 0.0432(3) -0.00820(19) 0.0244(2) 0.00274(19) Cl8 0.0408(3) 0.0388(2) 0.0260(2) 0.00601(17) 0.00680(18) 0.00063(19) Cl9 0.0259(2) 0.0573(3) 0.0465(3) -0.0013(2) 0.0110(2) 0.0118(2) Cl10 0.0431(3) 0.0558(3) 0.0503(3) 0.0013(2) 0.0272(2) -0.0141(2) Cl11 0.0532(3) 0.0233(2) 0.0538(3) 0.00547(19) 0.0189(2) -0.00041(19) Cl12 0.0343(2) 0.0397(2) 0.0366(2) -0.01010(19) 0.00543(19) -0.01036(18) Si1' 0.0283(2) 0.0282(2) 0.0301(2) -0.00050(19) 0.0120(2) -0.00064(18) C1' 0.0281(9) 0.0317(9) 0.0405(10) -0.0037(8) 0.0129(8) -0.0009(7) C2' 0.0421(12) 0.0428(11) 0.0524(13) 0.0031(10) 0.0184(10) -0.0093(9) C3' 0.0499(13) 0.0442(12) 0.0437(12) -0.0073(10) 0.0066(10) -0.0031(10) C4' 0.0286(9) 0.0364(9) 0.0453(11) -0.0075(8) 0.0135(8) -0.0011(7) C5' 0.0549(15) 0.0614(15) 0.0637(16) -0.0073(13) 0.0371(13) 0.0041(12) C6' 0.0424(12) 0.0408(11) 0.0529(13) -0.0041(10) 0.0112(10) 0.0108(9) C7' 0.0472(12) 0.0354(9) 0.0346(10) 0.0051(8) 0.0166(9) -0.0005(8) C8' 0.0553(14) 0.0438(12) 0.0667(16) 0.0098(11) 0.0313(12) -0.0082(10) C9' 0.0482(13) 0.0379(11) 0.0574(14) 0.0099(10) 0.0101(11) 0.0055(9) C1S 0.0312(10) 0.0376(10) 0.0239(10) -0.0035(8) 0.0090(8) 0.0016(8) C2S 0.0389(12) 0.0420(12) 0.0364(12) -0.0106(9) 0.0159(10) -0.0090(9) C3S 0.0335(13) 0.0681(18) 0.0365(14) -0.0113(13) 0.0069(11) -0.0033(12) C4S 0.0497(15) 0.0686(17) 0.0306(12) 0.0022(11) 0.0058(11) 0.0102(12) C5S 0.0555(17) 0.0533(14) 0.0333(13) 0.0090(11) 0.0141(13) 0.0019(12) C6S 0.0353(14) 0.0516(17) 0.0285(19) 0.0015(14) 0.0053(15) -0.0017(12) Cl1S 0.0388(5) 0.0358(4) 0.0300(4) -0.0027(3) 0.0131(3) 0.0084(3) Cl2S 0.0628(6) 0.0585(4) 0.0691(6) -0.0044(4) 0.0248(4) -0.0295(4) C1D 0.036(9) 0.075(15) 0.042(11) -0.013(9) 0.026(7) -0.009(9) C2D 0.042(10) 0.067(15) 0.051(13) -0.012(9) 0.018(9) -0.007(9) C3D 0.040(11) 0.079(17) 0.037(13) -0.037(10) 0.014(9) -0.004(10) C4D 0.029(11) 0.096(19) 0.038(13) -0.012(11) -0.012(10) -0.008(10) C5D 0.053(13) 0.060(15) 0.052(15) -0.024(11) -0.019(12) -0.014(12) C6D 0.015(10) 0.082(17) 0.076(17) 0.014(13) 0.003(10) -0.002(10) Cl1D 0.043(6) 0.116(13) 0.056(9) 0.022(7) 0.006(5) -0.029(6) Cl2D 0.059(7) 0.093(9) 0.043(8) 0.010(6) 0.006(7) -0.023(6) _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 C1 B4 1.712(3) . ? C1 B3 1.714(3) . ? C1 B6 1.714(3) . ? C1 B2 1.718(3) . ? C1 B5 1.727(3) . ? B2 Cl2 1.7703(19) . ? B2 B7 1.773(3) . ? B2 B8 1.775(3) . ? B2 B6 1.786(3) . ? B2 B3 1.793(3) . ? B3 Cl3 1.7696(19) . ? B3 B9 1.777(3) . ? B3 B8 1.780(3) . ? B3 B4 1.790(3) . ? B4 Cl4 1.768(2) . ? B4 B9 1.777(3) . ? B4 B10 1.781(3) . ? B4 B5 1.792(3) . ? B5 Cl5 1.762(2) . ? B5 B10 1.778(3) . ? B5 B11 1.779(3) . ? B5 B6 1.788(3) . ? B6 Cl6 1.769(2) . ? B6 B11 1.777(3) . ? B6 B7 1.784(3) . ? B7 Cl7 1.7745(19) . ? B7 B8 1.787(3) . ? B7 B12 1.790(3) . ? B7 B11 1.793(3) . ? B8 Cl8 1.7789(19) . ? B8 B12 1.790(3) . ? B8 B9 1.801(3) . ? B9 Cl9 1.778(2) . ? B9 B12 1.791(3) . ? B9 B10 1.798(3) . ? B10 Cl10 1.779(2) . ? B10 B12 1.787(3) . ? B10 B11 1.802(3) . ? B11 Cl11 1.7755(19) . ? B11 B12 1.788(3) . ? B12 Cl12 1.7789(19) . ? Si1' C1' 1.8581(19) . ? Si1' C7' 1.861(2) . ? Si1' C4' 1.865(2) . ? Si1' Cl1D 2.294(19) . ? Si1' Cl1S 2.3695(11) . ? C1' C2' 1.526(3) . ? C1' C3' 1.530(3) . ? C4' C6' 1.529(3) . ? C4' C5' 1.551(3) . ? C7' C9' 1.534(3) . ? C7' C8' 1.539(3) . ? C1S C6S 1.377(4) . ? C1S C2S 1.384(3) . ? C1S Cl1S 1.765(2) . ? C2S C3S 1.385(4) . ? C2S Cl2S 1.721(2) . ? C3S C4S 1.374(5) . ? C4S C5S 1.385(4) . ? C5S C6S 1.395(4) . ? C1D C2D 1.345(16) . ? C1D C6D 1.370(18) . ? C1D Cl1D 1.773(16) . ? C2D C3D 1.385(17) . ? C2D Cl2D 1.707(16) . ? C3D C4D 1.374(19) . ? C4D C5D 1.385(18) . ? C5D C6D 1.411(18) . ? 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 B4 C1 B3 62.98(11) . . ? B4 C1 B6 114.88(13) . . ? B3 C1 B6 115.04(13) . . ? B4 C1 B2 115.12(13) . . ? B3 C1 B2 62.97(11) . . ? B6 C1 B2 62.71(11) . . ? B4 C1 B5 62.82(12) . . ? B3 C1 B5 115.05(13) . . ? B6 C1 B5 62.62(11) . . ? B2 C1 B5 114.71(13) . . ? C1 B2 Cl2 121.46(12) . . ? C1 B2 B7 104.67(13) . . ? Cl2 B2 B7 124.68(13) . . ? C1 B2 B8 104.39(13) . . ? Cl2 B2 B8 125.41(13) . . ? B7 B2 B8 60.48(10) . . ? C1 B2 B6 58.55(11) . . ? Cl2 B2 B6 119.74(12) . . ? B7 B2 B6 60.16(11) . . ? B8 B2 B6 108.37(13) . . ? C1 B2 B3 58.41(10) . . ? Cl2 B2 B3 120.78(12) . . ? B7 B2 B3 108.27(13) . . ? B8 B2 B3 59.86(11) . . ? B6 B2 B3 107.85(13) . . ? C1 B3 Cl3 121.48(12) . . ? C1 B3 B9 104.43(13) . . ? Cl3 B3 B9 125.20(13) . . ? C1 B3 B8 104.32(12) . . ? Cl3 B3 B8 124.94(13) . . ? B9 B3 B8 60.85(11) . . ? C1 B3 B4 58.45(11) . . ? Cl3 B3 B4 120.65(13) . . ? B9 B3 B4 59.77(11) . . ? B8 B3 B4 108.25(13) . . ? C1 B3 B2 58.62(11) . . ? Cl3 B3 B2 120.06(13) . . ? B9 B3 B2 108.28(13) . . ? B8 B3 B2 59.57(10) . . ? B4 B3 B2 107.82(13) . . ? C1 B4 Cl4 120.72(13) . . ? C1 B4 B9 104.51(14) . . ? Cl4 B4 B9 125.60(14) . . ? C1 B4 B10 104.69(13) . . ? Cl4 B4 B10 125.39(14) . . ? B9 B4 B10 60.70(11) . . ? C1 B4 B3 58.58(11) . . ? Cl4 B4 B3 120.14(13) . . ? B9 B4 B3 59.75(11) . . ? B10 B4 B3 108.36(13) . . ? C1 B4 B5 58.99(11) . . ? Cl4 B4 B5 119.79(13) . . ? B9 B4 B5 108.35(14) . . ? B10 B4 B5 59.70(11) . . ? B3 B4 B5 108.29(14) . . ? C1 B5 Cl5 121.94(13) . . ? C1 B5 B10 104.19(13) . . ? Cl5 B5 B10 124.23(14) . . ? C1 B5 B11 104.13(13) . . ? Cl5 B5 B11 125.55(13) . . ? B10 B5 B11 60.88(11) . . ? C1 B5 B6 58.36(11) . . ? Cl5 B5 B6 121.36(13) . . ? B10 B5 B6 108.37(14) . . ? B11 B5 B6 59.75(11) . . ? C1 B5 B4 58.19(11) . . ? Cl5 B5 B4 119.59(14) . . ? B10 B5 B4 59.84(11) . . ? B11 B5 B4 108.26(14) . . ? B6 B5 B4 107.54(14) . . ? C1 B6 Cl6 120.18(13) . . ? C1 B6 B11 104.73(13) . . ? Cl6 B6 B11 125.89(13) . . ? C1 B6 B7 104.37(13) . . ? Cl6 B6 B7 126.19(13) . . ? B11 B6 B7 60.46(11) . . ? C1 B6 B2 58.75(10) . . ? Cl6 B6 B2 119.89(13) . . ? B11 B6 B2 108.20(13) . . ? B7 B6 B2 59.57(11) . . ? C1 B6 B5 59.03(11) . . ? Cl6 B6 B5 119.52(13) . . ? B11 B6 B5 59.87(11) . . ? B7 B6 B5 108.28(13) . . ? B2 B6 B5 108.50(13) . . ? B2 B7 Cl7 121.57(13) . . ? B2 B7 B6 60.27(11) . . ? Cl7 B7 B6 122.47(13) . . ? B2 B7 B8 59.79(10) . . ? Cl7 B7 B8 121.08(13) . . ? B6 B7 B8 107.90(13) . . ? B2 B7 B12 107.56(13) . . ? Cl7 B7 B12 121.99(13) . . ? B6 B7 B12 107.19(13) . . ? B8 B7 B12 60.04(11) . . ? B2 B7 B11 108.04(13) . . ? Cl7 B7 B11 122.12(12) . . ? B6 B7 B11 59.57(11) . . ? B8 B7 B11 108.22(13) . . ? B12 B7 B11 59.88(11) . . ? B2 B8 Cl8 121.49(12) . . ? B2 B8 B3 60.58(11) . . ? Cl8 B8 B3 122.09(12) . . ? B2 B8 B7 59.73(11) . . ? Cl8 B8 B7 121.11(12) . . ? B3 B8 B7 108.24(13) . . ? B2 B8 B12 107.54(13) . . ? Cl8 B8 B12 122.10(12) . . ? B3 B8 B12 107.34(13) . . ? B7 B8 B12 60.07(10) . . ? B2 B8 B9 108.01(13) . . ? Cl8 B8 B9 122.22(12) . . ? B3 B8 B9 59.49(11) . . ? B7 B8 B9 108.17(13) . . ? B12 B8 B9 59.83(11) . . ? B3 B9 B4 60.47(11) . . ? B3 B9 Cl9 120.72(13) . . ? B4 B9 Cl9 121.80(13) . . ? B3 B9 B12 107.42(13) . . ? B4 B9 B12 107.30(14) . . ? Cl9 B9 B12 122.88(13) . . ? B3 B9 B10 108.18(13) . . ? B4 B9 B10 59.76(11) . . ? Cl9 B9 B10 122.68(13) . . ? B12 B9 B10 59.73(11) . . ? B3 B9 B8 59.66(11) . . ? B4 B9 B8 107.87(14) . . ? Cl9 B9 B8 121.33(13) . . ? B12 B9 B8 59.77(10) . . ? B10 B9 B8 107.80(13) . . ? B5 B10 Cl10 121.06(13) . . ? B5 B10 B4 60.46(11) . . ? Cl10 B10 B4 121.74(13) . . ? B5 B10 B12 107.41(14) . . ? Cl10 B10 B12 122.73(13) . . ? B4 B10 B12 107.28(13) . . ? B5 B10 B9 108.04(14) . . ? Cl10 B10 B9 122.33(13) . . ? B4 B10 B9 59.54(11) . . ? B12 B10 B9 59.94(11) . . ? B5 B10 B11 59.57(11) . . ? Cl10 B10 B11 121.75(13) . . ? B4 B10 B11 107.71(14) . . ? B12 B10 B11 59.76(11) . . ? B9 B10 B11 107.82(13) . . ? Cl11 B11 B6 120.43(13) . . ? Cl11 B11 B5 121.99(13) . . ? B6 B11 B5 60.39(11) . . ? Cl11 B11 B12 122.83(13) . . ? B6 B11 B12 107.60(13) . . ? B5 B11 B12 107.35(13) . . ? Cl11 B11 B7 120.49(13) . . ? B6 B11 B7 59.98(11) . . ? B5 B11 B7 108.31(13) . . ? B12 B11 B7 60.00(11) . . ? Cl11 B11 B10 123.39(13) . . ? B6 B11 B10 107.83(13) . . ? B5 B11 B10 59.55(11) . . ? B12 B11 B10 59.70(11) . . ? B7 B11 B10 107.99(13) . . ? Cl12 B12 B10 121.30(12) . . ? Cl12 B12 B11 121.46(12) . . ? B10 B12 B11 60.53(11) . . ? Cl12 B12 B8 121.33(13) . . ? B10 B12 B8 108.77(13) . . ? B11 B12 B8 108.29(13) . . ? Cl12 B12 B7 121.38(12) . . ? B10 B12 B7 108.75(13) . . ? B11 B12 B7 60.12(11) . . ? B8 B12 B7 59.89(10) . . ? Cl12 B12 B9 121.34(12) . . ? B10 B12 B9 60.33(11) . . ? B11 B12 B9 108.74(13) . . ? B8 B12 B9 60.39(11) . . ? B7 B12 B9 108.47(13) . . ? C1' Si1' C7' 112.98(9) . . ? C1' Si1' C4' 122.90(9) . . ? C7' Si1' C4' 114.36(10) . . ? C1' Si1' Cl1D 95.7(5) . . ? C7' Si1' Cl1D 97.6(5) . . ? C4' Si1' Cl1D 107.7(4) . . ? C1' Si1' Cl1S 98.85(7) . . ? C7' Si1' Cl1S 97.12(7) . . ? C4' Si1' Cl1S 105.05(7) . . ? Cl1D Si1' Cl1S 3.3(5) . . ? C2' C1' C3' 110.70(17) . . ? C2' C1' Si1' 117.07(14) . . ? C3' C1' Si1' 109.10(15) . . ? C6' C4' C5' 109.59(18) . . ? C6' C4' Si1' 118.00(15) . . ? C5' C4' Si1' 105.86(15) . . ? C9' C7' C8' 111.10(18) . . ? C9' C7' Si1' 113.65(15) . . ? C8' C7' Si1' 113.72(15) . . ? C6S C1S C2S 122.8(3) . . ? C6S C1S Cl1S 117.2(2) . . ? C2S C1S Cl1S 120.01(18) . . ? C1S C2S C3S 118.3(2) . . ? C1S C2S Cl2S 121.51(18) . . ? C3S C2S Cl2S 120.2(2) . . ? C4S C3S C2S 120.1(3) . . ? C3S C4S C5S 120.9(3) . . ? C4S C5S C6S 119.9(3) . . ? C1S C6S C5S 117.9(3) . . ? C1S Cl1S Si1' 109.99(7) . . ? C2D C1D C6D 122.6(16) . . ? C2D C1D Cl1D 123.0(15) . . ? C6D C1D Cl1D 114.4(15) . . ? C1D C2D C3D 121.4(18) . . ? C1D C2D Cl2D 122.5(15) . . ? C3D C2D Cl2D 116.1(16) . . ? C4D C3D C2D 118(2) . . ? C3D C4D C5D 120.9(18) . . ? C4D C5D C6D 120.5(19) . . ? C1D C6D C5D 116.7(19) . . ? C1D Cl1D Si1' 109.4(7) . . ? 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 B4 C1 B2 Cl2 -145.77(13) . . . . ? B3 C1 B2 Cl2 -109.14(15) . . . . ? B6 C1 B2 Cl2 107.91(15) . . . . ? B5 C1 B2 Cl2 144.09(13) . . . . ? B4 C1 B2 B7 66.05(17) . . . . ? B3 C1 B2 B7 102.68(14) . . . . ? B6 C1 B2 B7 -40.27(12) . . . . ? B5 C1 B2 B7 -4.09(18) . . . . ? B4 C1 B2 B8 3.35(17) . . . . ? B3 C1 B2 B8 39.98(12) . . . . ? B6 C1 B2 B8 -102.97(13) . . . . ? B5 C1 B2 B8 -66.79(16) . . . . ? B4 C1 B2 B6 106.32(15) . . . . ? B3 C1 B2 B6 142.94(13) . . . . ? B5 C1 B2 B6 36.18(14) . . . . ? B4 C1 B2 B3 -36.62(13) . . . . ? B6 C1 B2 B3 -142.94(13) . . . . ? B5 C1 B2 B3 -106.77(15) . . . . ? B4 C1 B3 Cl3 -108.99(16) . . . . ? B6 C1 B3 Cl3 144.56(14) . . . . ? B2 C1 B3 Cl3 108.33(16) . . . . ? B5 C1 B3 Cl3 -145.44(14) . . . . ? B4 C1 B3 B9 39.83(12) . . . . ? B6 C1 B3 B9 -66.62(17) . . . . ? B2 C1 B3 B9 -102.85(13) . . . . ? B5 C1 B3 B9 3.38(18) . . . . ? B4 C1 B3 B8 102.86(14) . . . . ? B6 C1 B3 B8 -3.58(18) . . . . ? B2 C1 B3 B8 -39.82(12) . . . . ? B5 C1 B3 B8 66.42(17) . . . . ? B6 C1 B3 B4 -106.44(15) . . . . ? B2 C1 B3 B4 -142.68(13) . . . . ? B5 C1 B3 B4 -36.44(14) . . . . ? B4 C1 B3 B2 142.68(13) . . . . ? B6 C1 B3 B2 36.23(13) . . . . ? B5 C1 B3 B2 106.23(15) . . . . ? Cl2 B2 B3 C1 110.30(15) . . . . ? B7 B2 B3 C1 -96.32(14) . . . . ? B8 B2 B3 C1 -133.98(13) . . . . ? B6 B2 B3 C1 -32.69(12) . . . . ? C1 B2 B3 Cl3 -110.72(15) . . . . ? Cl2 B2 B3 Cl3 -0.4(2) . . . . ? B7 B2 B3 Cl3 152.97(13) . . . . ? B8 B2 B3 Cl3 115.31(15) . . . . ? B6 B2 B3 Cl3 -143.41(13) . . . . ? C1 B2 B3 B9 96.08(14) . . . . ? Cl2 B2 B3 B9 -153.62(13) . . . . ? B7 B2 B3 B9 -0.24(18) . . . . ? B8 B2 B3 B9 -37.90(13) . . . . ? B6 B2 B3 B9 63.39(17) . . . . ? C1 B2 B3 B8 133.98(13) . . . . ? Cl2 B2 B3 B8 -115.73(15) . . . . ? B7 B2 B3 B8 37.66(13) . . . . ? B6 B2 B3 B8 101.29(14) . . . . ? C1 B2 B3 B4 32.87(12) . . . . ? Cl2 B2 B3 B4 143.17(13) . . . . ? B7 B2 B3 B4 -63.45(17) . . . . ? B8 B2 B3 B4 -101.11(14) . . . . ? B6 B2 B3 B4 0.18(17) . . . . ? B3 C1 B4 Cl4 108.75(16) . . . . ? B6 C1 B4 Cl4 -144.56(14) . . . . ? B2 C1 B4 Cl4 145.37(13) . . . . ? B5 C1 B4 Cl4 -108.48(16) . . . . ? B3 C1 B4 B9 -39.83(12) . . . . ? B6 C1 B4 B9 66.86(17) . . . . ? B2 C1 B4 B9 -3.21(18) . . . . ? B5 C1 B4 B9 102.94(14) . . . . ? B3 C1 B4 B10 -102.79(14) . . . . ? B6 C1 B4 B10 3.91(19) . . . . ? B2 C1 B4 B10 -66.17(17) . . . . ? B5 C1 B4 B10 39.99(13) . . . . ? B6 C1 B4 B3 106.69(15) . . . . ? B2 C1 B4 B3 36.62(13) . . . . ? B5 C1 B4 B3 142.77(14) . . . . ? B3 C1 B4 B5 -142.77(14) . . . . ? B6 C1 B4 B5 -36.08(14) . . . . ? B2 C1 B4 B5 -106.15(15) . . . . ? Cl3 B3 B4 C1 110.39(15) . . . . ? B9 B3 B4 C1 -134.12(14) . . . . ? B8 B3 B4 C1 -95.92(14) . . . . ? B2 B3 B4 C1 -32.94(12) . . . . ? C1 B3 B4 Cl4 -109.73(16) . . . . ? Cl3 B3 B4 Cl4 0.7(2) . . . . ? B9 B3 B4 Cl4 116.15(16) . . . . ? B8 B3 B4 Cl4 154.35(13) . . . . ? B2 B3 B4 Cl4 -142.67(13) . . . . ? C1 B3 B4 B9 134.12(14) . . . . ? Cl3 B3 B4 B9 -115.48(16) . . . . ? B8 B3 B4 B9 38.20(13) . . . . ? B2 B3 B4 B9 101.19(14) . . . . ? C1 B3 B4 B10 96.34(15) . . . . ? Cl3 B3 B4 B10 -153.27(13) . . . . ? B9 B3 B4 B10 -37.78(13) . . . . ? B8 B3 B4 B10 0.42(18) . . . . ? B2 B3 B4 B10 63.40(17) . . . . ? C1 B3 B4 B5 33.10(13) . . . . ? Cl3 B3 B4 B5 143.49(13) . . . . ? B9 B3 B4 B5 -101.02(15) . . . . ? B8 B3 B4 B5 -62.82(17) . . . . ? B2 B3 B4 B5 0.16(18) . . . . ? B4 C1 B5 Cl5 107.34(17) . . . . ? B3 C1 B5 Cl5 143.85(14) . . . . ? B6 C1 B5 Cl5 -109.65(17) . . . . ? B2 C1 B5 Cl5 -145.86(14) . . . . ? B4 C1 B5 B10 -39.95(13) . . . . ? B3 C1 B5 B10 -3.45(19) . . . . ? B6 C1 B5 B10 103.06(15) . . . . ? B2 C1 B5 B10 66.85(17) . . . . ? B4 C1 B5 B11 -102.95(14) . . . . ? B3 C1 B5 B11 -66.45(17) . . . . ? B6 C1 B5 B11 40.06(13) . . . . ? B2 C1 B5 B11 3.85(18) . . . . ? B4 C1 B5 B6 -143.01(14) . . . . ? B3 C1 B5 B6 -106.51(15) . . . . ? B2 C1 B5 B6 -36.21(14) . . . . ? B3 C1 B5 B4 36.50(14) . . . . ? B6 C1 B5 B4 143.01(14) . . . . ? B2 C1 B5 B4 106.80(15) . . . . ? Cl4 B4 B5 C1 110.05(16) . . . . ? B9 B4 B5 C1 -96.24(15) . . . . ? B10 B4 B5 C1 -133.95(14) . . . . ? B3 B4 B5 C1 -32.94(13) . . . . ? C1 B4 B5 Cl5 -111.33(16) . . . . ? Cl4 B4 B5 Cl5 -1.3(2) . . . . ? B9 B4 B5 Cl5 152.44(13) . . . . ? B10 B4 B5 Cl5 114.72(16) . . . . ? B3 B4 B5 Cl5 -144.26(13) . . . . ? C1 B4 B5 B10 133.95(14) . . . . ? Cl4 B4 B5 B10 -116.01(16) . . . . ? B9 B4 B5 B10 37.71(13) . . . . ? B3 B4 B5 B10 101.01(15) . . . . ? C1 B4 B5 B11 95.61(15) . . . . ? Cl4 B4 B5 B11 -154.34(13) . . . . ? B9 B4 B5 B11 -0.62(19) . . . . ? B10 B4 B5 B11 -38.34(13) . . . . ? B3 B4 B5 B11 62.68(17) . . . . ? C1 B4 B5 B6 32.49(13) . . . . ? Cl4 B4 B5 B6 142.54(14) . . . . ? B9 B4 B5 B6 -63.74(17) . . . . ? B10 B4 B5 B6 -101.45(15) . . . . ? B3 B4 B5 B6 -0.44(18) . . . . ? B4 C1 B6 Cl6 144.56(14) . . . . ? B3 C1 B6 Cl6 -145.08(14) . . . . ? B2 C1 B6 Cl6 -108.74(15) . . . . ? B5 C1 B6 Cl6 108.41(16) . . . . ? B4 C1 B6 B11 -4.09(18) . . . . ? B3 C1 B6 B11 66.27(17) . . . . ? B2 C1 B6 B11 102.60(14) . . . . ? B5 C1 B6 B11 -40.25(13) . . . . ? B4 C1 B6 B7 -66.78(17) . . . . ? B3 C1 B6 B7 3.58(18) . . . . ? B2 C1 B6 B7 39.92(12) . . . . ? B5 C1 B6 B7 -102.93(14) . . . . ? B4 C1 B6 B2 -106.69(15) . . . . ? B3 C1 B6 B2 -36.33(14) . . . . ? B5 C1 B6 B2 -142.85(14) . . . . ? B4 C1 B6 B5 36.16(14) . . . . ? B3 C1 B6 B5 106.52(15) . . . . ? B2 C1 B6 B5 142.85(14) . . . . ? Cl2 B2 B6 C1 -110.80(15) . . . . ? B7 B2 B6 C1 133.87(14) . . . . ? B8 B2 B6 C1 95.96(14) . . . . ? B3 B2 B6 C1 32.64(12) . . . . ? C1 B2 B6 Cl6 109.24(15) . . . . ? Cl2 B2 B6 Cl6 -1.6(2) . . . . ? B7 B2 B6 Cl6 -116.89(16) . . . . ? B8 B2 B6 Cl6 -154.80(13) . . . . ? B3 B2 B6 Cl6 141.88(13) . . . . ? C1 B2 B6 B11 -96.53(14) . . . . ? Cl2 B2 B6 B11 152.68(13) . . . . ? B7 B2 B6 B11 37.35(13) . . . . ? B8 B2 B6 B11 -0.57(18) . . . . ? B3 B2 B6 B11 -63.89(17) . . . . ? C1 B2 B6 B7 -133.87(14) . . . . ? Cl2 B2 B6 B7 115.33(15) . . . . ? B8 B2 B6 B7 -37.91(13) . . . . ? B3 B2 B6 B7 -101.24(14) . . . . ? C1 B2 B6 B5 -33.09(13) . . . . ? Cl2 B2 B6 B5 -143.89(13) . . . . ? B7 B2 B6 B5 100.78(15) . . . . ? B8 B2 B6 B5 62.87(17) . . . . ? B3 B2 B6 B5 -0.46(18) . . . . ? Cl5 B5 B6 C1 110.62(16) . . . . ? B10 B5 B6 C1 -95.67(15) . . . . ? B11 B5 B6 C1 -133.74(14) . . . . ? B4 B5 B6 C1 -32.43(13) . . . . ? C1 B5 B6 Cl6 -109.51(15) . . . . ? Cl5 B5 B6 Cl6 1.1(2) . . . . ? B10 B5 B6 Cl6 154.82(13) . . . . ? B11 B5 B6 Cl6 116.76(15) . . . . ? B4 B5 B6 Cl6 -141.94(13) . . . . ? C1 B5 B6 B11 133.74(14) . . . . ? Cl5 B5 B6 B11 -115.64(16) . . . . ? B10 B5 B6 B11 38.06(13) . . . . ? B4 B5 B6 B11 101.31(15) . . . . ? C1 B5 B6 B7 96.12(14) . . . . ? Cl5 B5 B6 B7 -153.26(13) . . . . ? B10 B5 B6 B7 0.45(18) . . . . ? B11 B5 B6 B7 -37.62(12) . . . . ? B4 B5 B6 B7 63.69(17) . . . . ? C1 B5 B6 B2 32.98(12) . . . . ? Cl5 B5 B6 B2 143.60(14) . . . . ? B10 B5 B6 B2 -62.69(17) . . . . ? B11 B5 B6 B2 -100.75(15) . . . . ? B4 B5 B6 B2 0.56(18) . . . . ? C1 B2 B7 Cl7 151.47(13) . . . . ? Cl2 B2 B7 Cl7 4.6(2) . . . . ? B8 B2 B7 Cl7 -110.08(16) . . . . ? B6 B2 B7 Cl7 112.00(16) . . . . ? B3 B2 B7 Cl7 -147.47(13) . . . . ? C1 B2 B7 B6 39.47(12) . . . . ? Cl2 B2 B7 B6 -107.37(16) . . . . ? B8 B2 B7 B6 137.92(14) . . . . ? B3 B2 B7 B6 100.53(15) . . . . ? C1 B2 B7 B8 -98.45(14) . . . . ? Cl2 B2 B7 B8 114.71(16) . . . . ? B6 B2 B7 B8 -137.92(14) . . . . ? B3 B2 B7 B8 -37.39(13) . . . . ? C1 B2 B7 B12 -60.68(16) . . . . ? Cl2 B2 B7 B12 152.48(13) . . . . ? B8 B2 B7 B12 37.78(13) . . . . ? B6 B2 B7 B12 -100.14(15) . . . . ? B3 B2 B7 B12 0.39(18) . . . . ? C1 B2 B7 B11 2.55(17) . . . . ? Cl2 B2 B7 B11 -144.29(14) . . . . ? B8 B2 B7 B11 101.00(14) . . . . ? B6 B2 B7 B11 -36.92(13) . . . . ? B3 B2 B7 B11 63.62(17) . . . . ? C1 B6 B7 B2 -39.51(12) . . . . ? Cl6 B6 B7 B2 106.64(16) . . . . ? B11 B6 B7 B2 -138.51(14) . . . . ? B5 B6 B7 B2 -101.16(14) . . . . ? C1 B6 B7 Cl7 -150.07(13) . . . . ? Cl6 B6 B7 Cl7 -3.9(2) . . . . ? B11 B6 B7 Cl7 110.92(15) . . . . ? B2 B6 B7 Cl7 -110.56(15) . . . . ? B5 B6 B7 Cl7 148.28(13) . . . . ? C1 B6 B7 B8 -2.02(17) . . . . ? Cl6 B6 B7 B8 144.13(14) . . . . ? B11 B6 B7 B8 -101.03(14) . . . . ? B2 B6 B7 B8 37.49(13) . . . . ? B5 B6 B7 B8 -63.67(16) . . . . ? C1 B6 B7 B12 61.27(15) . . . . ? Cl6 B6 B7 B12 -152.58(13) . . . . ? B11 B6 B7 B12 -37.73(12) . . . . ? B2 B6 B7 B12 100.78(14) . . . . ? B5 B6 B7 B12 -0.38(17) . . . . ? C1 B6 B7 B11 99.01(14) . . . . ? Cl6 B6 B7 B11 -114.85(16) . . . . ? B2 B6 B7 B11 138.51(14) . . . . ? B5 B6 B7 B11 37.36(13) . . . . ? C1 B2 B8 Cl8 -150.96(12) . . . . ? Cl2 B2 B8 Cl8 -3.4(2) . . . . ? B7 B2 B8 Cl8 110.12(15) . . . . ? B6 B2 B8 Cl8 147.89(13) . . . . ? B3 B2 B8 Cl8 -111.70(15) . . . . ? C1 B2 B8 B3 -39.26(12) . . . . ? Cl2 B2 B8 B3 108.25(16) . . . . ? B7 B2 B8 B3 -138.18(14) . . . . ? B6 B2 B8 B3 -100.41(15) . . . . ? C1 B2 B8 B7 98.92(13) . . . . ? Cl2 B2 B8 B7 -113.57(16) . . . . ? B6 B2 B8 B7 37.77(13) . . . . ? B3 B2 B8 B7 138.18(14) . . . . ? C1 B2 B8 B12 61.14(15) . . . . ? Cl2 B2 B8 B12 -151.35(13) . . . . ? B7 B2 B8 B12 -37.79(12) . . . . ? B6 B2 B8 B12 -0.01(17) . . . . ? B3 B2 B8 B12 100.40(14) . . . . ? C1 B2 B8 B9 -2.03(16) . . . . ? Cl2 B2 B8 B9 145.48(13) . . . . ? B7 B2 B8 B9 -100.95(14) . . . . ? B6 B2 B8 B9 -63.18(16) . . . . ? B3 B2 B8 B9 37.23(12) . . . . ? C1 B3 B8 B2 39.35(12) . . . . ? Cl3 B3 B8 B2 -107.35(16) . . . . ? B9 B3 B8 B2 138.10(14) . . . . ? B4 B3 B8 B2 100.37(14) . . . . ? C1 B3 B8 Cl8 150.10(13) . . . . ? Cl3 B3 B8 Cl8 3.4(2) . . . . ? B9 B3 B8 Cl8 -111.16(15) . . . . ? B4 B3 B8 Cl8 -148.88(13) . . . . ? B2 B3 B8 Cl8 110.75(15) . . . . ? C1 B3 B8 B7 2.03(17) . . . . ? Cl3 B3 B8 B7 -144.67(14) . . . . ? B9 B3 B8 B7 100.77(14) . . . . ? B4 B3 B8 B7 63.05(17) . . . . ? B2 B3 B8 B7 -37.32(13) . . . . ? C1 B3 B8 B12 -61.39(16) . . . . ? Cl3 B3 B8 B12 151.90(14) . . . . ? B9 B3 B8 B12 37.35(13) . . . . ? B4 B3 B8 B12 -0.37(17) . . . . ? B2 B3 B8 B12 -100.74(14) . . . . ? C1 B3 B8 B9 -98.75(14) . . . . ? Cl3 B3 B8 B9 114.55(17) . . . . ? B4 B3 B8 B9 -37.72(13) . . . . ? B2 B3 B8 B9 -138.10(14) . . . . ? Cl7 B7 B8 B2 110.88(15) . . . . ? B6 B7 B8 B2 -37.70(13) . . . . ? B12 B7 B8 B2 -137.62(14) . . . . ? B11 B7 B8 B2 -100.69(15) . . . . ? B2 B7 B8 Cl8 -110.75(15) . . . . ? Cl7 B7 B8 Cl8 0.1(2) . . . . ? B6 B7 B8 Cl8 -148.45(13) . . . . ? B12 B7 B8 Cl8 111.64(15) . . . . ? B11 B7 B8 Cl8 148.56(13) . . . . ? B2 B7 B8 B3 37.70(13) . . . . ? Cl7 B7 B8 B3 148.58(13) . . . . ? B6 B7 B8 B3 -0.01(18) . . . . ? B12 B7 B8 B3 -99.92(14) . . . . ? B11 B7 B8 B3 -63.00(17) . . . . ? B2 B7 B8 B12 137.62(14) . . . . ? Cl7 B7 B8 B12 -111.50(15) . . . . ? B6 B7 B8 B12 99.91(14) . . . . ? B11 B7 B8 B12 36.92(12) . . . . ? B2 B7 B8 B9 100.67(14) . . . . ? Cl7 B7 B8 B9 -148.45(13) . . . . ? B6 B7 B8 B9 62.97(16) . . . . ? B12 B7 B8 B9 -36.95(13) . . . . ? B11 B7 B8 B9 -0.03(18) . . . . ? C1 B3 B9 B4 -39.17(12) . . . . ? Cl3 B3 B9 B4 108.12(17) . . . . ? B8 B3 B9 B4 -137.74(14) . . . . ? B2 B3 B9 B4 -100.40(15) . . . . ? C1 B3 B9 Cl9 -150.76(13) . . . . ? Cl3 B3 B9 Cl9 -3.5(2) . . . . ? B8 B3 B9 Cl9 110.68(15) . . . . ? B4 B3 B9 Cl9 -111.58(16) . . . . ? B2 B3 B9 Cl9 148.01(13) . . . . ? C1 B3 B9 B12 61.22(16) . . . . ? Cl3 B3 B9 B12 -151.49(14) . . . . ? B8 B3 B9 B12 -37.34(12) . . . . ? B4 B3 B9 B12 100.39(15) . . . . ? B2 B3 B9 B12 -0.01(18) . . . . ? C1 B3 B9 B10 -1.85(17) . . . . ? Cl3 B3 B9 B10 145.45(14) . . . . ? B8 B3 B9 B10 -100.41(14) . . . . ? B4 B3 B9 B10 37.33(13) . . . . ? B2 B3 B9 B10 -63.08(17) . . . . ? C1 B3 B9 B8 98.56(13) . . . . ? Cl3 B3 B9 B8 -114.14(16) . . . . ? B4 B3 B9 B8 137.74(14) . . . . ? B2 B3 B9 B8 37.33(13) . . . . ? C1 B4 B9 B3 39.25(12) . . . . ? Cl4 B4 B9 B3 -107.30(17) . . . . ? B10 B4 B9 B3 138.18(14) . . . . ? B5 B4 B9 B3 100.91(15) . . . . ? C1 B4 B9 Cl9 149.11(13) . . . . ? Cl4 B4 B9 Cl9 2.6(2) . . . . ? B10 B4 B9 Cl9 -111.96(16) . . . . ? B3 B4 B9 Cl9 109.86(16) . . . . ? B5 B4 B9 Cl9 -149.24(14) . . . . ? C1 B4 B9 B12 -61.35(16) . . . . ? Cl4 B4 B9 B12 152.10(14) . . . . ? B10 B4 B9 B12 37.58(13) . . . . ? B3 B4 B9 B12 -100.60(14) . . . . ? B5 B4 B9 B12 0.30(18) . . . . ? C1 B4 B9 B10 -98.92(14) . . . . ? Cl4 B4 B9 B10 114.52(18) . . . . ? B3 B4 B9 B10 -138.18(14) . . . . ? B5 B4 B9 B10 -37.27(13) . . . . ? C1 B4 B9 B8 1.67(17) . . . . ? Cl4 B4 B9 B8 -144.88(14) . . . . ? B10 B4 B9 B8 100.60(14) . . . . ? B3 B4 B9 B8 -37.58(12) . . . . ? B5 B4 B9 B8 63.33(17) . . . . ? B2 B8 B9 B3 -37.71(12) . . . . ? Cl8 B8 B9 B3 110.94(15) . . . . ? B7 B8 B9 B3 -100.89(14) . . . . ? B12 B8 B9 B3 -137.94(14) . . . . ? B2 B8 B9 B4 0.23(17) . . . . ? Cl8 B8 B9 B4 148.89(13) . . . . ? B3 B8 B9 B4 37.94(13) . . . . ? B7 B8 B9 B4 -62.95(17) . . . . ? B12 B8 B9 B4 -100.00(15) . . . . ? B2 B8 B9 Cl9 -147.39(13) . . . . ? Cl8 B8 B9 Cl9 1.3(2) . . . . ? B3 B8 B9 Cl9 -109.68(15) . . . . ? B7 B8 B9 Cl9 149.43(13) . . . . ? B12 B8 B9 Cl9 112.38(15) . . . . ? B2 B8 B9 B12 100.23(14) . . . . ? Cl8 B8 B9 B12 -111.11(15) . . . . ? B3 B8 B9 B12 137.94(14) . . . . ? B7 B8 B9 B12 37.05(13) . . . . ? B2 B8 B9 B10 63.34(16) . . . . ? Cl8 B8 B9 B10 -148.00(13) . . . . ? B3 B8 B9 B10 101.06(14) . . . . ? B7 B8 B9 B10 0.16(18) . . . . ? B12 B8 B9 B10 -36.89(13) . . . . ? C1 B5 B10 Cl10 150.51(13) . . . . ? Cl5 B5 B10 Cl10 4.2(2) . . . . ? B11 B5 B10 Cl10 -111.02(16) . . . . ? B6 B5 B10 Cl10 -148.58(13) . . . . ? B4 B5 B10 Cl10 111.38(16) . . . . ? C1 B5 B10 B4 39.13(13) . . . . ? Cl5 B5 B10 B4 -107.19(17) . . . . ? B11 B5 B10 B4 137.60(14) . . . . ? B6 B5 B10 B4 100.04(15) . . . . ? C1 B5 B10 B12 -61.25(16) . . . . ? Cl5 B5 B10 B12 152.44(14) . . . . ? B11 B5 B10 B12 37.22(13) . . . . ? B6 B5 B10 B12 -0.34(18) . . . . ? B4 B5 B10 B12 -100.38(15) . . . . ? C1 B5 B10 B9 2.01(18) . . . . ? Cl5 B5 B10 B9 -144.31(14) . . . . ? B11 B5 B10 B9 100.48(14) . . . . ? B6 B5 B10 B9 62.92(17) . . . . ? B4 B5 B10 B9 -37.12(13) . . . . ? C1 B5 B10 B11 -98.47(14) . . . . ? Cl5 B5 B10 B11 115.21(17) . . . . ? B6 B5 B10 B11 -37.56(13) . . . . ? B4 B5 B10 B11 -137.60(14) . . . . ? C1 B4 B10 B5 -39.64(13) . . . . ? Cl4 B4 B10 B5 106.89(18) . . . . ? B9 B4 B10 B5 -138.26(14) . . . . ? B3 B4 B10 B5 -100.89(15) . . . . ? C1 B4 B10 Cl10 -149.92(14) . . . . ? Cl4 B4 B10 Cl10 -3.4(2) . . . . ? B9 B4 B10 Cl10 111.45(16) . . . . ? B3 B4 B10 Cl10 148.82(14) . . . . ? B5 B4 B10 Cl10 -110.29(17) . . . . ? C1 B4 B10 B12 60.96(17) . . . . ? Cl4 B4 B10 B12 -152.51(14) . . . . ? B9 B4 B10 B12 -37.66(13) . . . . ? B3 B4 B10 B12 -0.30(18) . . . . ? B5 B4 B10 B12 100.60(15) . . . . ? C1 B4 B10 B9 98.62(14) . . . . ? Cl4 B4 B10 B9 -114.85(18) . . . . ? B3 B4 B10 B9 37.37(13) . . . . ? B5 B4 B10 B9 138.26(14) . . . . ? C1 B4 B10 B11 -2.02(18) . . . . ? Cl4 B4 B10 B11 144.51(15) . . . . ? B9 B4 B10 B11 -100.65(15) . . . . ? B3 B4 B10 B11 -63.28(17) . . . . ? B5 B4 B10 B11 37.61(13) . . . . ? B3 B9 B10 B5 -0.11(18) . . . . ? B4 B9 B10 B5 37.53(13) . . . . ? Cl9 B9 B10 B5 148.05(14) . . . . ? B12 B9 B10 B5 -100.09(15) . . . . ? B8 B9 B10 B5 -63.18(17) . . . . ? B3 B9 B10 Cl10 -148.13(13) . . . . ? B4 B9 B10 Cl10 -110.49(16) . . . . ? Cl9 B9 B10 Cl10 0.0(2) . . . . ? B12 B9 B10 Cl10 111.90(16) . . . . ? B8 B9 B10 Cl10 148.80(13) . . . . ? B3 B9 B10 B4 -37.64(13) . . . . ? Cl9 B9 B10 B4 110.53(16) . . . . ? B12 B9 B10 B4 -137.61(14) . . . . ? B8 B9 B10 B4 -100.71(15) . . . . ? B3 B9 B10 B12 99.97(14) . . . . ? B4 B9 B10 B12 137.61(14) . . . . ? Cl9 B9 B10 B12 -111.86(16) . . . . ? B8 B9 B10 B12 36.90(12) . . . . ? B3 B9 B10 B11 62.83(17) . . . . ? B4 B9 B10 B11 100.47(15) . . . . ? Cl9 B9 B10 B11 -149.00(13) . . . . ? B12 B9 B10 B11 -37.14(12) . . . . ? B8 B9 B10 B11 -0.24(18) . . . . ? C1 B6 B11 Cl11 151.72(13) . . . . ? Cl6 B6 B11 Cl11 5.4(2) . . . . ? B7 B6 B11 Cl11 -109.88(15) . . . . ? B2 B6 B11 Cl11 -146.85(13) . . . . ? B5 B6 B11 Cl11 111.89(16) . . . . ? C1 B6 B11 B5 39.83(12) . . . . ? Cl6 B6 B11 B5 -106.46(17) . . . . ? B7 B6 B11 B5 138.23(14) . . . . ? B2 B6 B11 B5 101.27(15) . . . . ? C1 B6 B11 B12 -60.51(16) . . . . ? Cl6 B6 B11 B12 153.20(14) . . . . ? B7 B6 B11 B12 37.88(13) . . . . ? B2 B6 B11 B12 0.92(18) . . . . ? B5 B6 B11 B12 -100.34(14) . . . . ? C1 B6 B11 B7 -98.39(14) . . . . ? Cl6 B6 B11 B7 115.32(17) . . . . ? B2 B6 B11 B7 -36.96(13) . . . . ? B5 B6 B11 B7 -138.23(14) . . . . ? C1 B6 B11 B10 2.50(17) . . . . ? Cl6 B6 B11 B10 -143.80(15) . . . . ? B7 B6 B11 B10 100.89(14) . . . . ? B2 B6 B11 B10 63.93(17) . . . . ? B5 B6 B11 B10 -37.34(13) . . . . ? C1 B5 B11 Cl11 -148.75(13) . . . . ? Cl5 B5 B11 Cl11 -0.5(2) . . . . ? B10 B5 B11 Cl11 112.67(16) . . . . ? B6 B5 B11 Cl11 -109.38(16) . . . . ? B4 B5 B11 Cl11 150.55(14) . . . . ? C1 B5 B11 B6 -39.37(12) . . . . ? Cl5 B5 B11 B6 108.89(17) . . . . ? B10 B5 B11 B6 -137.95(14) . . . . ? B4 B5 B11 B6 -100.07(15) . . . . ? C1 B5 B11 B12 61.40(16) . . . . ? Cl5 B5 B11 B12 -150.35(14) . . . . ? B10 B5 B11 B12 -37.18(13) . . . . ? B6 B5 B11 B12 100.77(14) . . . . ? B4 B5 B11 B12 0.69(18) . . . . ? C1 B5 B11 B7 -1.96(17) . . . . ? Cl5 B5 B11 B7 146.30(14) . . . . ? B10 B5 B11 B7 -100.54(15) . . . . ? B6 B5 B11 B7 37.41(13) . . . . ? B4 B5 B11 B7 -62.66(17) . . . . ? C1 B5 B11 B10 98.58(14) . . . . ? Cl5 B5 B11 B10 -113.16(18) . . . . ? B6 B5 B11 B10 137.95(14) . . . . ? B4 B5 B11 B10 37.87(13) . . . . ? B2 B7 B11 Cl11 147.01(13) . . . . ? Cl7 B7 B11 Cl11 -1.7(2) . . . . ? B6 B7 B11 Cl11 109.79(16) . . . . ? B8 B7 B11 Cl11 -149.73(13) . . . . ? B12 B7 B11 Cl11 -112.74(15) . . . . ? B2 B7 B11 B6 37.23(13) . . . . ? Cl7 B7 B11 B6 -111.49(16) . . . . ? B8 B7 B11 B6 100.48(14) . . . . ? B12 B7 B11 B6 137.48(13) . . . . ? B2 B7 B11 B5 -0.37(18) . . . . ? Cl7 B7 B11 B5 -149.08(13) . . . . ? B6 B7 B11 B5 -37.59(13) . . . . ? B8 B7 B11 B5 62.89(17) . . . . ? B12 B7 B11 B5 99.88(14) . . . . ? B2 B7 B11 B12 -100.25(14) . . . . ? Cl7 B7 B11 B12 111.04(16) . . . . ? B6 B7 B11 B12 -137.48(13) . . . . ? B8 B7 B11 B12 -36.99(12) . . . . ? B2 B7 B11 B10 -63.38(17) . . . . ? Cl7 B7 B11 B10 147.91(13) . . . . ? B6 B7 B11 B10 -100.61(14) . . . . ? B8 B7 B11 B10 -0.12(18) . . . . ? B12 B7 B11 B10 36.87(13) . . . . ? B5 B10 B11 Cl11 -110.39(16) . . . . ? Cl10 B10 B11 Cl11 -0.5(2) . . . . ? B4 B10 B11 Cl11 -148.41(14) . . . . ? B12 B10 B11 Cl11 111.53(16) . . . . ? B9 B10 B11 Cl11 148.74(14) . . . . ? B5 B10 B11 B6 37.71(13) . . . . ? Cl10 B10 B11 B6 147.59(13) . . . . ? B4 B10 B11 B6 -0.30(18) . . . . ? B12 B10 B11 B6 -100.37(14) . . . . ? B9 B10 B11 B6 -63.15(17) . . . . ? Cl10 B10 B11 B5 109.88(16) . . . . ? B4 B10 B11 B5 -38.01(13) . . . . ? B12 B10 B11 B5 -138.08(14) . . . . ? B9 B10 B11 B5 -100.86(15) . . . . ? B5 B10 B11 B12 138.08(14) . . . . ? Cl10 B10 B11 B12 -112.04(16) . . . . ? B4 B10 B11 B12 100.07(15) . . . . ? B9 B10 B11 B12 37.22(12) . . . . ? B5 B10 B11 B7 101.08(14) . . . . ? Cl10 B10 B11 B7 -149.03(13) . . . . ? B4 B10 B11 B7 63.07(17) . . . . ? B12 B10 B11 B7 -37.00(13) . . . . ? B9 B10 B11 B7 0.22(18) . . . . ? B5 B10 B12 Cl12 -148.11(13) . . . . ? Cl10 B10 B12 Cl12 -0.5(2) . . . . ? B4 B10 B12 Cl12 148.22(13) . . . . ? B9 B10 B12 Cl12 110.74(15) . . . . ? B11 B10 B12 Cl12 -110.97(15) . . . . ? B5 B10 B12 B11 -37.14(13) . . . . ? Cl10 B10 B12 B11 110.45(16) . . . . ? B4 B10 B12 B11 -100.81(15) . . . . ? B9 B10 B12 B11 -138.29(13) . . . . ? B5 B10 B12 B8 63.73(17) . . . . ? Cl10 B10 B12 B8 -148.67(13) . . . . ? B4 B10 B12 B8 0.07(18) . . . . ? B9 B10 B12 B8 -37.42(13) . . . . ? B11 B10 B12 B8 100.87(14) . . . . ? B5 B10 B12 B7 0.10(18) . . . . ? Cl10 B10 B12 B7 147.70(13) . . . . ? B4 B10 B12 B7 -63.56(17) . . . . ? B9 B10 B12 B7 -101.05(14) . . . . ? B11 B10 B12 B7 37.24(12) . . . . ? B5 B10 B12 B9 101.15(15) . . . . ? Cl10 B10 B12 B9 -111.25(17) . . . . ? B4 B10 B12 B9 37.48(13) . . . . ? B11 B10 B12 B9 138.29(13) . . . . ? Cl11 B11 B12 Cl12 -1.7(2) . . . . ? B6 B11 B12 Cl12 -148.52(13) . . . . ? B5 B11 B12 Cl12 147.84(13) . . . . ? B7 B11 B12 Cl12 -110.64(15) . . . . ? B10 B11 B12 Cl12 110.73(15) . . . . ? Cl11 B11 B12 B10 -112.43(16) . . . . ? B6 B11 B12 B10 100.75(15) . . . . ? B5 B11 B12 B10 37.11(13) . . . . ? B7 B11 B12 B10 138.63(14) . . . . ? Cl11 B11 B12 B8 145.88(13) . . . . ? B6 B11 B12 B8 -0.93(18) . . . . ? B5 B11 B12 B8 -64.57(17) . . . . ? B7 B11 B12 B8 36.94(12) . . . . ? B10 B11 B12 B8 -101.69(14) . . . . ? Cl11 B11 B12 B7 108.94(16) . . . . ? B6 B11 B12 B7 -37.88(13) . . . . ? B5 B11 B12 B7 -101.52(14) . . . . ? B10 B11 B12 B7 -138.63(14) . . . . ? Cl11 B11 B12 B9 -150.05(13) . . . . ? B6 B11 B12 B9 63.13(17) . . . . ? B5 B11 B12 B9 -0.51(18) . . . . ? B7 B11 B12 B9 101.01(14) . . . . ? B10 B11 B12 B9 -37.62(13) . . . . ? B2 B8 B12 Cl12 148.22(13) . . . . ? Cl8 B8 B12 Cl12 0.6(2) . . . . ? B3 B8 B12 Cl12 -147.95(13) . . . . ? B7 B8 B12 Cl12 110.59(15) . . . . ? B9 B8 B12 Cl12 -110.75(15) . . . . ? B2 B8 B12 B10 -63.64(17) . . . . ? Cl8 B8 B12 B10 148.69(13) . . . . ? B3 B8 B12 B10 0.19(18) . . . . ? B7 B8 B12 B10 -101.27(15) . . . . ? B9 B8 B12 B10 37.39(13) . . . . ? B2 B8 B12 B11 0.59(17) . . . . ? Cl8 B8 B12 B11 -147.08(13) . . . . ? B3 B8 B12 B11 64.41(16) . . . . ? B7 B8 B12 B11 -37.04(13) . . . . ? B9 B8 B12 B11 101.61(14) . . . . ? B2 B8 B12 B7 37.63(13) . . . . ? Cl8 B8 B12 B7 -110.04(15) . . . . ? B3 B8 B12 B7 101.46(14) . . . . ? B9 B8 B12 B7 138.66(14) . . . . ? B2 B8 B12 B9 -101.03(14) . . . . ? Cl8 B8 B12 B9 111.30(15) . . . . ? B3 B8 B12 B9 -37.20(13) . . . . ? B7 B8 B12 B9 -138.66(14) . . . . ? B2 B7 B12 Cl12 -148.17(13) . . . . ? Cl7 B7 B12 Cl12 -0.5(2) . . . . ? B6 B7 B12 Cl12 148.36(13) . . . . ? B8 B7 B12 Cl12 -110.51(15) . . . . ? B11 B7 B12 Cl12 110.77(15) . . . . ? B2 B7 B12 B10 63.64(17) . . . . ? Cl7 B7 B12 B10 -148.67(13) . . . . ? B6 B7 B12 B10 0.17(17) . . . . ? B8 B7 B12 B10 101.30(14) . . . . ? B11 B7 B12 B10 -37.42(13) . . . . ? B2 B7 B12 B11 101.06(14) . . . . ? Cl7 B7 B12 B11 -111.25(15) . . . . ? B6 B7 B12 B11 37.59(12) . . . . ? B8 B7 B12 B11 138.72(14) . . . . ? B2 B7 B12 B8 -37.66(12) . . . . ? Cl7 B7 B12 B8 110.03(15) . . . . ? B6 B7 B12 B8 -101.13(14) . . . . ? B11 B7 B12 B8 -138.72(14) . . . . ? B2 B7 B12 B9 -0.40(18) . . . . ? Cl7 B7 B12 B9 147.29(13) . . . . ? B6 B7 B12 B9 -63.87(16) . . . . ? B8 B7 B12 B9 37.27(13) . . . . ? B11 B7 B12 B9 -101.46(14) . . . . ? B3 B9 B12 Cl12 148.04(13) . . . . ? B4 B9 B12 Cl12 -148.27(13) . . . . ? Cl9 B9 B12 Cl12 0.9(2) . . . . ? B10 B9 B12 Cl12 -110.68(16) . . . . ? B8 B9 B12 Cl12 110.75(15) . . . . ? B3 B9 B12 B10 -101.28(15) . . . . ? B4 B9 B12 B10 -37.59(13) . . . . ? Cl9 B9 B12 B10 111.55(16) . . . . ? B8 B9 B12 B10 -138.57(14) . . . . ? B3 B9 B12 B11 -63.56(17) . . . . ? B4 B9 B12 B11 0.13(18) . . . . ? Cl9 B9 B12 B11 149.26(13) . . . . ? B10 B9 B12 B11 37.71(13) . . . . ? B8 B9 B12 B11 -100.86(14) . . . . ? B3 B9 B12 B8 37.30(13) . . . . ? B4 B9 B12 B8 100.98(15) . . . . ? Cl9 B9 B12 B8 -109.88(16) . . . . ? B10 B9 B12 B8 138.57(14) . . . . ? B3 B9 B12 B7 0.25(18) . . . . ? B4 B9 B12 B7 63.94(17) . . . . ? Cl9 B9 B12 B7 -146.92(14) . . . . ? B10 B9 B12 B7 101.53(15) . . . . ? B8 B9 B12 B7 -37.04(13) . . . . ? C7' Si1' C1' C2' -173.83(15) . . . . ? C4' Si1' C1' C2' 42.3(2) . . . . ? Cl1D Si1' C1' C2' -73.1(5) . . . . ? Cl1S Si1' C1' C2' -72.15(16) . . . . ? C7' Si1' C1' C3' 59.52(16) . . . . ? C4' Si1' C1' C3' -84.37(17) . . . . ? Cl1D Si1' C1' C3' 160.3(5) . . . . ? Cl1S Si1' C1' C3' 161.20(13) . . . . ? C1' Si1' C4' C6' -37.4(2) . . . . ? C7' Si1' C4' C6' 179.13(15) . . . . ? Cl1D Si1' C4' C6' 71.9(6) . . . . ? Cl1S Si1' C4' C6' 73.90(16) . . . . ? C1' Si1' C4' C5' 85.65(17) . . . . ? C7' Si1' C4' C5' -57.79(17) . . . . ? Cl1D Si1' C4' C5' -165.0(6) . . . . ? Cl1S Si1' C4' C5' -163.02(14) . . . . ? C1' Si1' C7' C9' 41.70(19) . . . . ? C4' Si1' C7' C9' -171.20(15) . . . . ? Cl1D Si1' C7' C9' -57.8(5) . . . . ? Cl1S Si1' C7' C9' -61.09(16) . . . . ? C1' Si1' C7' C8' 170.14(15) . . . . ? C4' Si1' C7' C8' -42.76(19) . . . . ? Cl1D Si1' C7' C8' 70.6(5) . . . . ? Cl1S Si1' C7' C8' 67.35(17) . . . . ? C6S C1S C2S C3S 1.4(4) . . . . ? Cl1S C1S C2S C3S -178.3(2) . . . . ? C6S C1S C2S Cl2S -179.2(2) . . . . ? Cl1S C1S C2S Cl2S 1.1(3) . . . . ? C1S C2S C3S C4S -1.0(5) . . . . ? Cl2S C2S C3S C4S 179.6(2) . . . . ? C2S C3S C4S C5S 0.3(5) . . . . ? C3S C4S C5S C6S 0.0(5) . . . . ? C2S C1S C6S C5S -1.1(5) . . . . ? Cl1S C1S C6S C5S 178.6(2) . . . . ? C4S C5S C6S C1S 0.4(5) . . . . ? C6S C1S Cl1S Si1' -88.0(2) . . . . ? C2S C1S Cl1S Si1' 91.70(18) . . . . ? C1' Si1' Cl1S C1S 102.94(11) . . . . ? C7' Si1' Cl1S C1S -142.37(12) . . . . ? C4' Si1' Cl1S C1S -24.73(12) . . . . ? Cl1D Si1' Cl1S C1S 120(9) . . . . ? C6D C1D C2D C3D -0.2(3) . . . . ? Cl1D C1D C2D C3D 179.9(2) . . . . ? C6D C1D C2D Cl2D 179.7(4) . . . . ? Cl1D C1D C2D Cl2D -0.2(4) . . . . ? C1D C2D C3D C4D -0.2(3) . . . . ? Cl2D C2D C3D C4D 179.8(4) . . . . ? C2D C3D C4D C5D 0.5(7) . . . . ? C3D C4D C5D C6D -0.3(9) . . . . ? C2D C1D C6D C5D 0.4(7) . . . . ? Cl1D C1D C6D C5D -179.6(5) . . . . ? C4D C5D C6D C1D -0.2(9) . . . . ? C2D C1D Cl1D Si1' -102.4(10) . . . . ? C6D C1D Cl1D Si1' 77.7(10) . . . . ? C1' Si1' Cl1D C1D 138.9(10) . . . . ? C7' Si1' Cl1D C1D -106.9(10) . . . . ? C4' Si1' Cl1D C1D 11.7(12) . . . . ? Cl1S Si1' Cl1D C1D -25(9) . . . . ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 28.28 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 0.460 _refine_diff_density_min -0.251 _refine_diff_density_rms 0.063 data_cr84_gm_2_m5 _database_code_depnum_ccdc_archive 'CCDC 280854' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C7 H16 B11 Cl11 Si' _chemical_formula_weight 637.15 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' Si Si 0.0817 0.0704 '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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 16.3508(6) _cell_length_b 10.2062(4) _cell_length_c 17.5343(6) _cell_angle_alpha 90.00 _cell_angle_beta 117.6017(14) _cell_angle_gamma 90.00 _cell_volume 2593.09(17) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 2 _cell_measurement_theta_min 0.00 _cell_measurement_theta_max 0.00 _exptl_crystal_description 'prism frag' _exptl_crystal_colour colourless _exptl_crystal_size_max 0.45 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.22 _exptl_crystal_density_meas 0 _exptl_crystal_density_diffrn 1.632 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1256 _exptl_absorpt_coefficient_mu 1.223 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6078 _exptl_absorpt_correction_T_max 0.7763 _exptl_absorpt_process_details 'Bruker TWINABS' _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Normal-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 20167 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0343 _diffrn_reflns_limit_h_min -29 _diffrn_reflns_limit_h_max 26 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_theta_min 1.41 _diffrn_reflns_theta_max 40.25 _reflns_number_total 16251 _reflns_number_gt 15792 _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^)+(0.0338P)^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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 16251 _refine_ls_number_parameters 294 _refine_ls_number_restraints 11 _refine_ls_R_factor_all 0.0366 _refine_ls_R_factor_gt 0.0252 _refine_ls_wR_factor_ref 0.0641 _refine_ls_wR_factor_gt 0.0626 _refine_ls_goodness_of_fit_ref 1.018 _refine_ls_restrained_S_all 1.018 _refine_ls_shift/su_max 0.004 _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 C1 C 0.82586(5) 0.25629(7) 0.20493(5) 0.01213(12) Uani 1 1 d D . . H1 H 0.7918(4) 0.3085(6) 0.2236(4) 0.012(2) Uiso 1 1 d D . . B2 B 0.77573(6) 0.11357(8) 0.15110(6) 0.01306(14) Uani 1 1 d D . . B3 B 0.86880(6) 0.11086(8) 0.25824(6) 0.01306(15) Uani 1 1 d D . . B4 B 0.94278(6) 0.24709(8) 0.27023(6) 0.01233(14) Uani 1 1 d D . . B5 B 0.89595(6) 0.33466(8) 0.17033(6) 0.01225(14) Uani 1 1 d D . . B6 B 0.79301(6) 0.25296(9) 0.09707(6) 0.01277(14) Uani 1 1 d D . . B7 B 0.82410(6) 0.09323(8) 0.08009(5) 0.01206(14) Uani 1 1 d . . . B8 B 0.87047(6) 0.00324(8) 0.17872(6) 0.01236(14) Uani 1 1 d . . . B9 B 0.97358(6) 0.08706(8) 0.25234(6) 0.01239(14) Uani 1 1 d . . . B10 B 0.99075(6) 0.22544(8) 0.19847(6) 0.01276(14) Uani 1 1 d . . . B11 B 0.89802(6) 0.22840(8) 0.09037(6) 0.01252(15) Uani 1 1 d . . . B12 B 0.94637(6) 0.07414(8) 0.14126(6) 0.01239(14) Uani 1 1 d . . . Cl12 Cl 0.664034(15) 0.06513(2) 0.130439(15) 0.02117(4) Uani 1 1 d . . . Cl13 Cl 0.997302(15) 0.333497(19) 0.368347(12) 0.01699(4) Uani 1 1 d . . . Cl14 Cl 0.848328(17) 0.05897(2) 0.343863(14) 0.02106(4) Uani 1 1 d . . . Cl15 Cl 0.902532(15) 0.507172(18) 0.169088(14) 0.01780(4) Uani 1 1 d . . . Cl16 Cl 0.697154(14) 0.341280(19) 0.021711(13) 0.01791(4) Uani 1 1 d . . . Cl17 Cl 0.752617(15) 0.035499(18) -0.030842(12) 0.01674(4) Uani 1 1 d . . . Cl18 Cl 0.858807(16) -0.168545(18) 0.187765(13) 0.01843(4) Uani 1 1 d . . . Cl19 Cl 1.067943(16) 0.00096(2) 0.333581(13) 0.02020(4) Uani 1 1 d . . . Cl20 Cl 1.102253(15) 0.28611(2) 0.225220(15) 0.02113(4) Uani 1 1 d . . . Cl21 Cl 0.912503(17) 0.28591(2) 0.001899(14) 0.01964(4) Uani 1 1 d . . . Cl22 Cl 1.012626(15) -0.02514(2) 0.107425(14) 0.01870(4) Uani 1 1 d . . . Si1 Si 0.717264(16) -0.18400(2) -0.069491(14) 0.01284(4) Uani 1 1 d . . . C2 C 0.83145(6) -0.25517(8) -0.03991(6) 0.01711(15) Uani 1 1 d . . . H2A H 0.8639 -0.2016 -0.0645 0.028(3) Uiso 1 1 calc R . . H2B H 0.8690 -0.2555 0.0235 0.028(3) Uiso 1 1 calc R . . C3 C 0.81969(7) -0.39652(8) -0.07460(7) 0.02203(17) Uani 1 1 d . . . H3A H 0.7931 -0.4512 -0.0457 0.036(4) Uiso 1 1 calc R . . H3B H 0.8800 -0.4317 -0.0634 0.024(3) Uiso 1 1 calc R . . H3C H 0.7785 -0.3964 -0.1367 0.030(3) Uiso 1 1 calc R . . C4 C 0.64330(6) -0.14740(8) -0.18483(5) 0.01715(15) Uani 1 1 d . . . H4A H 0.6038 -0.2248 -0.2117 0.037(4) Uiso 1 1 calc R . . H4B H 0.6020 -0.0739 -0.1889 0.025(3) Uiso 1 1 calc R . . C5 C 0.69259(8) -0.11197(11) -0.23779(7) 0.0294(2) Uani 1 1 d . . . H5A H 0.7333 -0.0368 -0.2114 0.033(4) Uiso 1 1 calc R . . H5B H 0.6468 -0.0894 -0.2965 0.046(4) Uiso 1 1 calc R . . H5C H 0.7292 -0.1869 -0.2393 0.041(4) Uiso 1 1 calc R . . C6 C 0.65408(6) -0.24182(8) -0.01190(5) 0.01665(14) Uani 1 1 d . . . H6A H 0.6582 -0.3386 -0.0083 0.025(3) Uiso 1 1 calc R . . H6B H 0.6854 -0.2073 0.0476 0.018(3) Uiso 1 1 calc R . . C7 C 0.55196(7) -0.20263(10) -0.05247(6) 0.02297(18) Uani 1 1 d . . . H7A H 0.5470 -0.1072 -0.0502 0.041(4) Uiso 1 1 calc R . . H7B H 0.5230 -0.2439 -0.0205 0.035(4) Uiso 1 1 calc R . . H7C H 0.5207 -0.2318 -0.1125 0.032(4) 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 C1 0.0116(3) 0.0115(3) 0.0128(3) -0.0012(2) 0.0052(3) 0.0006(2) B2 0.0121(4) 0.0121(3) 0.0140(4) -0.0011(3) 0.0053(3) -0.0016(3) B3 0.0155(4) 0.0116(3) 0.0124(3) 0.0005(3) 0.0068(3) -0.0003(3) B4 0.0123(4) 0.0107(3) 0.0123(3) -0.0011(3) 0.0042(3) 0.0001(3) B5 0.0132(4) 0.0088(3) 0.0143(4) -0.0004(3) 0.0060(3) 0.0001(3) B6 0.0130(4) 0.0107(3) 0.0125(3) 0.0002(3) 0.0041(3) 0.0014(3) B7 0.0137(4) 0.0097(3) 0.0112(3) -0.0008(3) 0.0044(3) -0.0002(3) B8 0.0147(4) 0.0091(3) 0.0122(3) 0.0002(3) 0.0053(3) 0.0000(3) B9 0.0130(4) 0.0098(3) 0.0122(3) -0.0002(3) 0.0039(3) 0.0013(3) B10 0.0119(4) 0.0109(3) 0.0152(4) -0.0011(3) 0.0061(3) 0.0000(3) B11 0.0149(4) 0.0103(3) 0.0127(3) 0.0000(3) 0.0067(3) -0.0001(3) B12 0.0136(4) 0.0105(3) 0.0129(3) -0.0002(3) 0.0060(3) 0.0015(3) Cl12 0.01361(8) 0.02344(10) 0.02721(10) -0.00413(8) 0.01009(8) -0.00559(7) Cl13 0.01787(9) 0.01507(8) 0.01306(8) -0.00446(6) 0.00295(7) 0.00104(7) Cl14 0.03034(11) 0.02092(9) 0.01687(9) 0.00055(7) 0.01512(8) -0.00346(8) Cl15 0.02180(9) 0.00796(7) 0.02060(9) -0.00058(6) 0.00724(8) -0.00040(6) Cl16 0.01609(8) 0.01436(8) 0.01567(8) 0.00043(6) 0.00091(7) 0.00486(7) Cl17 0.02213(9) 0.01022(7) 0.01180(8) -0.00148(6) 0.00272(7) -0.00002(6) Cl18 0.02522(10) 0.00858(7) 0.01701(8) 0.00068(6) 0.00600(8) -0.00197(7) Cl19 0.02004(9) 0.01460(8) 0.01560(8) -0.00002(6) -0.00054(7) 0.00634(7) Cl20 0.01363(9) 0.02161(9) 0.02936(11) -0.00456(8) 0.01099(8) -0.00448(7) Cl21 0.02893(11) 0.01650(8) 0.01860(9) 0.00315(7) 0.01533(8) 0.00040(7) Cl22 0.01930(9) 0.01722(8) 0.02205(9) -0.00389(7) 0.01167(8) 0.00389(7) Si1 0.01473(10) 0.01083(9) 0.01261(9) -0.00062(7) 0.00604(8) 0.00009(7) C2 0.0175(4) 0.0141(3) 0.0198(4) -0.0002(3) 0.0087(3) 0.0015(3) C3 0.0273(5) 0.0131(3) 0.0307(5) 0.0002(3) 0.0176(4) 0.0023(3) C4 0.0209(4) 0.0156(3) 0.0133(3) -0.0011(3) 0.0065(3) -0.0002(3) C5 0.0358(6) 0.0351(5) 0.0245(5) 0.0119(4) 0.0201(4) 0.0147(5) C6 0.0185(4) 0.0169(3) 0.0150(3) -0.0011(3) 0.0082(3) -0.0023(3) C7 0.0199(4) 0.0273(4) 0.0247(4) -0.0019(4) 0.0128(4) -0.0006(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 C1 B6 1.7105(12) . ? C1 B4 1.7165(12) . ? C1 B3 1.7209(12) . ? C1 B5 1.7220(12) . ? C1 B2 1.7227(12) . ? B2 Cl12 1.7602(9) . ? B2 B7 1.7696(13) . ? B2 B3 1.7878(13) . ? B2 B8 1.7908(13) . ? B2 B6 1.8027(13) . ? B3 Cl14 1.7642(9) . ? B3 B9 1.7802(13) . ? B3 B8 1.7851(12) . ? B3 B4 1.7903(13) . ? B4 Cl13 1.7638(9) . ? B4 B10 1.7781(13) . ? B4 B9 1.7793(12) . ? B4 B5 1.7918(12) . ? B5 Cl15 1.7647(8) . ? B5 B6 1.7818(13) . ? B5 B10 1.7834(12) . ? B5 B11 1.7853(12) . ? B6 Cl16 1.7595(9) . ? B6 B7 1.7734(12) . ? B6 B11 1.7921(13) . ? B7 B8 1.7873(12) . ? B7 B11 1.7874(12) . ? B7 B12 1.7885(13) . ? B7 Cl17 1.8412(9) . ? B8 Cl18 1.7786(9) . ? B8 B9 1.7955(12) . ? B8 B12 1.8030(13) . ? B9 Cl19 1.7735(9) . ? B9 B12 1.7905(12) . ? B9 B10 1.7920(12) . ? B10 Cl20 1.7706(9) . ? B10 B11 1.7971(13) . ? B10 B12 1.8008(12) . ? B11 Cl21 1.7741(9) . ? B11 B12 1.8017(12) . ? B12 Cl22 1.7742(9) . ? Cl17 Si1 2.3344(3) . ? Si1 C2 1.8398(9) . ? Si1 C6 1.8444(9) . ? Si1 C4 1.8508(9) . ? C2 C3 1.5426(12) . ? C4 C5 1.5284(13) . ? C6 C7 1.5341(13) . ? 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 B6 C1 B4 114.74(6) . . ? B6 C1 B3 115.05(6) . . ? B4 C1 B3 62.78(5) . . ? B6 C1 B5 62.54(5) . . ? B4 C1 B5 62.81(5) . . ? B3 C1 B5 114.92(6) . . ? B6 C1 B2 63.35(5) . . ? B4 C1 B2 114.79(6) . . ? B3 C1 B2 62.55(5) . . ? B5 C1 B2 115.15(6) . . ? C1 B2 Cl12 122.35(6) . . ? C1 B2 B7 103.32(6) . . ? Cl12 B2 B7 125.56(6) . . ? C1 B2 B3 58.67(5) . . ? Cl12 B2 B3 120.58(6) . . ? B7 B2 B3 107.29(6) . . ? C1 B2 B8 104.55(6) . . ? Cl12 B2 B8 124.34(6) . . ? B7 B2 B8 60.26(5) . . ? B3 B2 B8 59.84(5) . . ? C1 B2 B6 58.00(5) . . ? Cl12 B2 B6 120.92(6) . . ? B7 B2 B6 59.52(5) . . ? B3 B2 B6 107.46(6) . . ? B8 B2 B6 108.17(6) . . ? C1 B3 Cl14 122.05(6) . . ? C1 B3 B9 104.34(6) . . ? Cl14 B3 B9 125.14(6) . . ? C1 B3 B8 104.87(6) . . ? Cl14 B3 B8 123.89(6) . . ? B9 B3 B8 60.48(5) . . ? C1 B3 B2 58.77(5) . . ? Cl14 B3 B2 119.61(6) . . ? B9 B3 B2 108.34(6) . . ? B8 B3 B2 60.16(5) . . ? C1 B3 B4 58.49(5) . . ? Cl14 B3 B4 121.16(6) . . ? B9 B3 B4 59.78(5) . . ? B8 B3 B4 108.40(6) . . ? B2 B3 B4 108.14(6) . . ? C1 B4 Cl13 121.78(6) . . ? C1 B4 B10 104.77(6) . . ? Cl13 B4 B10 124.27(6) . . ? C1 B4 B9 104.56(6) . . ? Cl13 B4 B9 125.07(6) . . ? B10 B4 B9 60.49(5) . . ? C1 B4 B3 58.73(5) . . ? Cl13 B4 B3 120.77(6) . . ? B10 B4 B3 108.41(6) . . ? B9 B4 B3 59.83(5) . . ? C1 B4 B5 58.74(5) . . ? Cl13 B4 B5 119.87(6) . . ? B10 B4 B5 59.94(5) . . ? B9 B4 B5 108.25(6) . . ? B3 B4 B5 108.24(6) . . ? C1 B5 Cl15 121.48(6) . . ? C1 B5 B6 58.41(5) . . ? Cl15 B5 B6 120.04(6) . . ? C1 B5 B10 104.31(6) . . ? Cl15 B5 B10 125.23(6) . . ? B6 B5 B10 108.46(6) . . ? C1 B5 B11 104.62(6) . . ? Cl15 B5 B11 124.95(6) . . ? B6 B5 B11 60.32(5) . . ? B10 B5 B11 60.47(5) . . ? C1 B5 B4 58.44(5) . . ? Cl15 B5 B4 120.59(6) . . ? B6 B5 B4 107.73(6) . . ? B10 B5 B4 59.65(5) . . ? B11 B5 B4 108.04(6) . . ? C1 B6 Cl16 122.30(6) . . ? C1 B6 B7 103.67(6) . . ? Cl16 B6 B7 124.73(6) . . ? C1 B6 B5 59.05(5) . . ? Cl16 B6 B5 121.12(6) . . ? B7 B6 B5 107.62(6) . . ? C1 B6 B11 104.82(6) . . ? Cl16 B6 B11 124.73(6) . . ? B7 B6 B11 60.17(5) . . ? B5 B6 B11 59.94(5) . . ? C1 B6 B2 58.66(5) . . ? Cl16 B6 B2 119.80(6) . . ? B7 B6 B2 59.31(5) . . ? B5 B6 B2 108.43(6) . . ? B11 B6 B2 108.19(6) . . ? B2 B7 B6 61.17(5) . . ? B2 B7 B8 60.46(5) . . ? B6 B7 B8 109.64(6) . . ? B2 B7 B11 109.89(6) . . ? B6 B7 B11 60.43(5) . . ? B8 B7 B11 109.58(6) . . ? B2 B7 B12 109.31(6) . . ? B6 B7 B12 109.10(6) . . ? B8 B7 B12 60.56(5) . . ? B11 B7 B12 60.51(5) . . ? B2 B7 Cl17 120.60(6) . . ? B6 B7 Cl17 112.36(5) . . ? B8 B7 Cl17 129.41(5) . . ? B11 B7 Cl17 114.97(5) . . ? B12 B7 Cl17 125.79(6) . . ? Cl18 B8 B3 119.72(6) . . ? Cl18 B8 B7 125.30(6) . . ? B3 B8 B7 106.64(6) . . ? Cl18 B8 B2 121.93(6) . . ? B3 B8 B2 59.99(5) . . ? B7 B8 B2 59.28(5) . . ? Cl18 B8 B9 120.62(6) . . ? B3 B8 B9 59.63(5) . . ? B7 B8 B9 106.67(6) . . ? B2 B8 B9 107.53(6) . . ? Cl18 B8 B12 123.26(6) . . ? B3 B8 B12 107.45(6) . . ? B7 B8 B12 59.75(5) . . ? B2 B8 B12 107.72(6) . . ? B9 B8 B12 59.68(5) . . ? Cl19 B9 B4 121.68(6) . . ? Cl19 B9 B3 121.57(6) . . ? B4 B9 B3 60.39(5) . . ? Cl19 B9 B12 121.49(6) . . ? B4 B9 B12 108.15(6) . . ? B3 B9 B12 108.21(6) . . ? Cl19 B9 B10 121.56(6) . . ? B4 B9 B10 59.72(5) . . ? B3 B9 B10 108.25(6) . . ? B12 B9 B10 60.35(5) . . ? Cl19 B9 B8 121.26(5) . . ? B4 B9 B8 108.42(6) . . ? B3 B9 B8 59.90(5) . . ? B12 B9 B8 60.37(5) . . ? B10 B9 B8 108.71(6) . . ? Cl20 B10 B4 120.45(6) . . ? Cl20 B10 B5 120.73(6) . . ? B4 B10 B5 60.41(5) . . ? Cl20 B10 B9 121.98(6) . . ? B4 B10 B9 59.79(5) . . ? B5 B10 B9 108.07(6) . . ? Cl20 B10 B11 122.38(6) . . ? B4 B10 B11 108.13(6) . . ? B5 B10 B11 59.82(5) . . ? B9 B10 B11 107.91(6) . . ? Cl20 B10 B12 123.17(6) . . ? B4 B10 B12 107.75(6) . . ? B5 B10 B12 107.92(6) . . ? B9 B10 B12 59.78(5) . . ? B11 B10 B12 60.10(5) . . ? Cl21 B11 B5 122.99(6) . . ? Cl21 B11 B7 121.68(6) . . ? B5 B11 B7 106.86(6) . . ? Cl21 B11 B6 122.08(6) . . ? B5 B11 B6 59.74(5) . . ? B7 B11 B6 59.40(5) . . ? Cl21 B11 B10 122.59(6) . . ? B5 B11 B10 59.71(5) . . ? B7 B11 B10 107.10(6) . . ? B6 B11 B10 107.40(6) . . ? Cl21 B11 B12 121.10(6) . . ? B5 B11 B12 107.79(6) . . ? B7 B11 B12 59.77(5) . . ? B6 B11 B12 107.68(6) . . ? B10 B11 B12 60.05(5) . . ? Cl22 B12 B7 123.21(6) . . ? Cl22 B12 B9 121.56(6) . . ? B7 B12 B9 106.84(6) . . ? Cl22 B12 B10 121.68(6) . . ? B7 B12 B10 106.90(6) . . ? B9 B12 B10 59.86(5) . . ? Cl22 B12 B11 121.95(6) . . ? B7 B12 B11 59.72(5) . . ? B9 B12 B11 107.77(6) . . ? B10 B12 B11 59.85(5) . . ? Cl22 B12 B8 121.51(6) . . ? B7 B12 B8 59.69(5) . . ? B9 B12 B8 59.95(5) . . ? B10 B12 B8 107.99(6) . . ? B11 B12 B8 108.24(6) . . ? B7 Cl17 Si1 124.36(3) . . ? C2 Si1 C6 118.16(4) . . ? C2 Si1 C4 116.85(4) . . ? C6 Si1 C4 114.50(4) . . ? C2 Si1 Cl17 102.39(3) . . ? C6 Si1 Cl17 105.92(3) . . ? C4 Si1 Cl17 94.13(3) . . ? C3 C2 Si1 109.46(6) . . ? C5 C4 Si1 116.75(7) . . ? C7 C6 Si1 115.35(6) . . ? 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 B6 C1 B2 Cl12 -108.74(7) . . . . ? B4 C1 B2 Cl12 144.75(6) . . . . ? B3 C1 B2 Cl12 108.63(7) . . . . ? B5 C1 B2 Cl12 -145.07(6) . . . . ? B6 C1 B2 B7 40.30(6) . . . . ? B4 C1 B2 B7 -66.20(8) . . . . ? B3 C1 B2 B7 -102.33(6) . . . . ? B5 C1 B2 B7 3.97(8) . . . . ? B6 C1 B2 B3 142.62(6) . . . . ? B4 C1 B2 B3 36.12(6) . . . . ? B5 C1 B2 B3 106.30(7) . . . . ? B6 C1 B2 B8 102.57(6) . . . . ? B4 C1 B2 B8 -3.93(8) . . . . ? B3 C1 B2 B8 -40.05(6) . . . . ? B5 C1 B2 B8 66.25(8) . . . . ? B4 C1 B2 B6 -106.50(7) . . . . ? B3 C1 B2 B6 -142.62(6) . . . . ? B5 C1 B2 B6 -36.33(6) . . . . ? B6 C1 B3 Cl14 -144.38(6) . . . . ? B4 C1 B3 Cl14 109.41(7) . . . . ? B5 C1 B3 Cl14 145.74(6) . . . . ? B2 C1 B3 Cl14 -107.59(7) . . . . ? B6 C1 B3 B9 66.20(8) . . . . ? B4 C1 B3 B9 -40.01(6) . . . . ? B5 C1 B3 B9 -3.67(8) . . . . ? B2 C1 B3 B9 102.99(6) . . . . ? B6 C1 B3 B8 3.48(9) . . . . ? B4 C1 B3 B8 -102.72(7) . . . . ? B5 C1 B3 B8 -66.39(8) . . . . ? B2 C1 B3 B8 40.28(6) . . . . ? B6 C1 B3 B2 -36.79(6) . . . . ? B4 C1 B3 B2 -143.00(6) . . . . ? B5 C1 B3 B2 -106.67(7) . . . . ? B6 C1 B3 B4 106.21(7) . . . . ? B5 C1 B3 B4 36.33(6) . . . . ? B2 C1 B3 B4 143.00(6) . . . . ? Cl12 B2 B3 C1 -111.59(7) . . . . ? B7 B2 B3 C1 95.34(6) . . . . ? B8 B2 B3 C1 133.92(6) . . . . ? B6 B2 B3 C1 32.66(6) . . . . ? C1 B2 B3 Cl14 111.66(7) . . . . ? Cl12 B2 B3 Cl14 0.07(9) . . . . ? B7 B2 B3 Cl14 -153.00(6) . . . . ? B8 B2 B3 Cl14 -114.42(7) . . . . ? B6 B2 B3 Cl14 144.32(6) . . . . ? C1 B2 B3 B9 -95.97(6) . . . . ? Cl12 B2 B3 B9 152.43(6) . . . . ? B7 B2 B3 B9 -0.63(8) . . . . ? B8 B2 B3 B9 37.95(6) . . . . ? B6 B2 B3 B9 -63.31(7) . . . . ? C1 B2 B3 B8 -133.92(6) . . . . ? Cl12 B2 B3 B8 114.49(7) . . . . ? B7 B2 B3 B8 -38.58(6) . . . . ? B6 B2 B3 B8 -101.26(7) . . . . ? C1 B2 B3 B4 -32.68(6) . . . . ? Cl12 B2 B3 B4 -144.27(6) . . . . ? B7 B2 B3 B4 62.66(7) . . . . ? B8 B2 B3 B4 101.24(7) . . . . ? B6 B2 B3 B4 -0.02(8) . . . . ? B6 C1 B4 Cl13 144.17(6) . . . . ? B3 C1 B4 Cl13 -109.14(7) . . . . ? B5 C1 B4 Cl13 108.02(7) . . . . ? B2 C1 B4 Cl13 -145.17(6) . . . . ? B6 C1 B4 B10 -3.86(8) . . . . ? B3 C1 B4 B10 102.83(6) . . . . ? B5 C1 B4 B10 -40.01(5) . . . . ? B2 C1 B4 B10 66.80(8) . . . . ? B6 C1 B4 B9 -66.62(7) . . . . ? B3 C1 B4 B9 40.08(6) . . . . ? B5 C1 B4 B9 -102.76(6) . . . . ? B2 C1 B4 B9 4.04(8) . . . . ? B6 C1 B4 B3 -106.69(7) . . . . ? B5 C1 B4 B3 -142.84(6) . . . . ? B2 C1 B4 B3 -36.04(6) . . . . ? B6 C1 B4 B5 36.15(6) . . . . ? B3 C1 B4 B5 142.84(6) . . . . ? B2 C1 B4 B5 106.80(7) . . . . ? Cl14 B3 B4 C1 -110.89(7) . . . . ? B9 B3 B4 C1 133.88(6) . . . . ? B8 B3 B4 C1 96.51(6) . . . . ? B2 B3 B4 C1 32.79(6) . . . . ? C1 B3 B4 Cl13 110.83(7) . . . . ? Cl14 B3 B4 Cl13 -0.07(10) . . . . ? B9 B3 B4 Cl13 -115.30(7) . . . . ? B8 B3 B4 Cl13 -152.67(6) . . . . ? B2 B3 B4 Cl13 143.62(6) . . . . ? C1 B3 B4 B10 -96.44(7) . . . . ? Cl14 B3 B4 B10 152.67(6) . . . . ? B9 B3 B4 B10 37.44(6) . . . . ? B8 B3 B4 B10 0.07(8) . . . . ? B2 B3 B4 B10 -63.65(8) . . . . ? C1 B3 B4 B9 -133.88(6) . . . . ? Cl14 B3 B4 B9 115.23(7) . . . . ? B8 B3 B4 B9 -37.37(6) . . . . ? B2 B3 B4 B9 -101.09(7) . . . . ? C1 B3 B4 B5 -32.94(6) . . . . ? Cl14 B3 B4 B5 -143.83(6) . . . . ? B9 B3 B4 B5 100.94(6) . . . . ? B8 B3 B4 B5 63.57(8) . . . . ? B2 B3 B4 B5 -0.15(8) . . . . ? B6 C1 B5 Cl15 108.22(7) . . . . ? B4 C1 B5 Cl15 -108.91(7) . . . . ? B3 C1 B5 Cl15 -145.23(6) . . . . ? B2 C1 B5 Cl15 144.85(6) . . . . ? B4 C1 B5 B6 142.87(6) . . . . ? B3 C1 B5 B6 106.55(7) . . . . ? B2 C1 B5 B6 36.63(6) . . . . ? B6 C1 B5 B10 -103.10(6) . . . . ? B4 C1 B5 B10 39.77(5) . . . . ? B3 C1 B5 B10 3.45(8) . . . . ? B2 C1 B5 B10 -66.47(8) . . . . ? B6 C1 B5 B11 -40.43(6) . . . . ? B4 C1 B5 B11 102.44(6) . . . . ? B3 C1 B5 B11 66.12(8) . . . . ? B2 C1 B5 B11 -3.80(8) . . . . ? B6 C1 B5 B4 -142.87(6) . . . . ? B3 C1 B5 B4 -36.32(6) . . . . ? B2 C1 B5 B4 -106.24(7) . . . . ? Cl13 B4 B5 C1 -111.21(7) . . . . ? B10 B4 B5 C1 134.09(6) . . . . ? B9 B4 B5 C1 96.28(6) . . . . ? B3 B4 B5 C1 32.93(6) . . . . ? C1 B4 B5 Cl15 110.41(7) . . . . ? Cl13 B4 B5 Cl15 -0.80(10) . . . . ? B10 B4 B5 Cl15 -115.50(7) . . . . ? B9 B4 B5 Cl15 -153.31(6) . . . . ? B3 B4 B5 Cl15 143.34(6) . . . . ? C1 B4 B5 B6 -32.68(5) . . . . ? Cl13 B4 B5 B6 -143.89(6) . . . . ? B10 B4 B5 B6 101.42(6) . . . . ? B9 B4 B5 B6 63.61(8) . . . . ? B3 B4 B5 B6 0.26(8) . . . . ? C1 B4 B5 B10 -134.09(6) . . . . ? Cl13 B4 B5 B10 114.70(7) . . . . ? B9 B4 B5 B10 -37.81(6) . . . . ? B3 B4 B5 B10 -101.16(6) . . . . ? C1 B4 B5 B11 -96.40(6) . . . . ? Cl13 B4 B5 B11 152.39(6) . . . . ? B10 B4 B5 B11 37.69(6) . . . . ? B9 B4 B5 B11 -0.12(8) . . . . ? B3 B4 B5 B11 -63.47(8) . . . . ? B4 C1 B6 Cl16 -145.76(6) . . . . ? B3 C1 B6 Cl16 144.16(6) . . . . ? B5 C1 B6 Cl16 -109.51(7) . . . . ? B2 C1 B6 Cl16 107.67(7) . . . . ? B4 C1 B6 B7 66.31(8) . . . . ? B3 C1 B6 B7 -3.77(8) . . . . ? B5 C1 B6 B7 102.56(6) . . . . ? B2 C1 B6 B7 -40.26(6) . . . . ? B4 C1 B6 B5 -36.25(6) . . . . ? B3 C1 B6 B5 -106.33(7) . . . . ? B2 C1 B6 B5 -142.82(6) . . . . ? B4 C1 B6 B11 4.04(8) . . . . ? B3 C1 B6 B11 -66.05(8) . . . . ? B5 C1 B6 B11 40.29(5) . . . . ? B2 C1 B6 B11 -102.54(6) . . . . ? B4 C1 B6 B2 106.58(7) . . . . ? B3 C1 B6 B2 36.49(6) . . . . ? B5 C1 B6 B2 142.82(6) . . . . ? Cl15 B5 B6 C1 -110.64(7) . . . . ? B10 B5 B6 C1 95.78(6) . . . . ? B11 B5 B6 C1 133.76(6) . . . . ? B4 B5 B6 C1 32.69(5) . . . . ? C1 B5 B6 Cl16 111.45(7) . . . . ? Cl15 B5 B6 Cl16 0.81(10) . . . . ? B10 B5 B6 Cl16 -152.77(6) . . . . ? B11 B5 B6 Cl16 -114.79(7) . . . . ? B4 B5 B6 Cl16 144.13(6) . . . . ? C1 B5 B6 B7 -95.66(6) . . . . ? Cl15 B5 B6 B7 153.71(6) . . . . ? B10 B5 B6 B7 0.12(8) . . . . ? B11 B5 B6 B7 38.10(6) . . . . ? B4 B5 B6 B7 -62.97(8) . . . . ? C1 B5 B6 B11 -133.76(6) . . . . ? Cl15 B5 B6 B11 115.60(7) . . . . ? B10 B5 B6 B11 -37.98(6) . . . . ? B4 B5 B6 B11 -101.07(6) . . . . ? C1 B5 B6 B2 -32.96(6) . . . . ? Cl15 B5 B6 B2 -143.59(6) . . . . ? B10 B5 B6 B2 62.83(8) . . . . ? B11 B5 B6 B2 100.80(7) . . . . ? B4 B5 B6 B2 -0.27(8) . . . . ? Cl12 B2 B6 C1 111.18(7) . . . . ? B7 B2 B6 C1 -133.09(6) . . . . ? B3 B2 B6 C1 -32.93(6) . . . . ? B8 B2 B6 C1 -96.12(6) . . . . ? C1 B2 B6 Cl16 -111.85(7) . . . . ? Cl12 B2 B6 Cl16 -0.67(9) . . . . ? B7 B2 B6 Cl16 115.06(7) . . . . ? B3 B2 B6 Cl16 -144.78(6) . . . . ? B8 B2 B6 Cl16 152.03(6) . . . . ? C1 B2 B6 B7 133.09(6) . . . . ? Cl12 B2 B6 B7 -115.73(7) . . . . ? B3 B2 B6 B7 100.16(7) . . . . ? B8 B2 B6 B7 36.97(6) . . . . ? C1 B2 B6 B5 33.11(6) . . . . ? Cl12 B2 B6 B5 144.29(6) . . . . ? B7 B2 B6 B5 -99.98(7) . . . . ? B3 B2 B6 B5 0.18(8) . . . . ? B8 B2 B6 B5 -63.01(8) . . . . ? C1 B2 B6 B11 96.60(7) . . . . ? Cl12 B2 B6 B11 -152.22(6) . . . . ? B7 B2 B6 B11 -36.49(6) . . . . ? B3 B2 B6 B11 63.67(8) . . . . ? B8 B2 B6 B11 0.48(8) . . . . ? C1 B2 B7 B6 -39.52(6) . . . . ? Cl12 B2 B7 B6 108.19(7) . . . . ? B3 B2 B7 B6 -100.45(6) . . . . ? B8 B2 B7 B6 -138.84(6) . . . . ? C1 B2 B7 B8 99.32(6) . . . . ? Cl12 B2 B7 B8 -112.97(8) . . . . ? B3 B2 B7 B8 38.39(6) . . . . ? B6 B2 B7 B8 138.84(6) . . . . ? C1 B2 B7 B11 -2.48(8) . . . . ? Cl12 B2 B7 B11 145.23(6) . . . . ? B3 B2 B7 B11 -63.41(8) . . . . ? B8 B2 B7 B11 -101.80(7) . . . . ? B6 B2 B7 B11 37.04(6) . . . . ? C1 B2 B7 B12 62.18(7) . . . . ? Cl12 B2 B7 B12 -150.11(6) . . . . ? B3 B2 B7 B12 1.25(8) . . . . ? B8 B2 B7 B12 -37.14(6) . . . . ? B6 B2 B7 B12 101.71(6) . . . . ? C1 B2 B7 Cl17 -139.84(6) . . . . ? Cl12 B2 B7 Cl17 7.87(10) . . . . ? B3 B2 B7 Cl17 159.23(5) . . . . ? B8 B2 B7 Cl17 120.84(7) . . . . ? B6 B2 B7 Cl17 -100.32(6) . . . . ? C1 B6 B7 B2 39.93(6) . . . . ? Cl16 B6 B7 B2 -106.96(8) . . . . ? B5 B6 B7 B2 101.37(7) . . . . ? B11 B6 B7 B2 139.37(6) . . . . ? C1 B6 B7 B8 2.49(8) . . . . ? Cl16 B6 B7 B8 -144.40(7) . . . . ? B5 B6 B7 B8 63.93(8) . . . . ? B11 B6 B7 B8 101.93(7) . . . . ? B2 B6 B7 B8 -37.44(6) . . . . ? C1 B6 B7 B11 -99.43(6) . . . . ? Cl16 B6 B7 B11 113.67(8) . . . . ? B5 B6 B7 B11 -38.00(6) . . . . ? B2 B6 B7 B11 -139.37(6) . . . . ? C1 B6 B7 B12 -62.12(8) . . . . ? Cl16 B6 B7 B12 150.98(6) . . . . ? B5 B6 B7 B12 -0.68(8) . . . . ? B11 B6 B7 B12 37.31(6) . . . . ? B2 B6 B7 B12 -102.05(7) . . . . ? C1 B6 B7 Cl17 153.62(5) . . . . ? Cl16 B6 B7 Cl17 6.73(9) . . . . ? B5 B6 B7 Cl17 -144.94(6) . . . . ? B11 B6 B7 Cl17 -106.94(6) . . . . ? B2 B6 B7 Cl17 113.69(6) . . . . ? C1 B3 B8 Cl18 -151.52(6) . . . . ? Cl14 B3 B8 Cl18 -4.42(10) . . . . ? B9 B3 B8 Cl18 110.20(7) . . . . ? B2 B3 B8 Cl18 -111.93(7) . . . . ? B4 B3 B8 Cl18 147.26(6) . . . . ? C1 B3 B8 B7 -1.62(8) . . . . ? Cl14 B3 B8 B7 145.49(6) . . . . ? B9 B3 B8 B7 -99.90(7) . . . . ? B2 B3 B8 B7 37.97(6) . . . . ? B4 B3 B8 B7 -62.83(8) . . . . ? C1 B3 B8 B2 -39.59(6) . . . . ? Cl14 B3 B8 B2 107.51(8) . . . . ? B9 B3 B8 B2 -137.87(6) . . . . ? B4 B3 B8 B2 -100.80(7) . . . . ? C1 B3 B8 B9 98.28(6) . . . . ? Cl14 B3 B8 B9 -114.61(7) . . . . ? B2 B3 B8 B9 137.87(6) . . . . ? B4 B3 B8 B9 37.07(6) . . . . ? C1 B3 B8 B12 61.18(7) . . . . ? Cl14 B3 B8 B12 -151.72(6) . . . . ? B9 B3 B8 B12 -37.10(6) . . . . ? B2 B3 B8 B12 100.77(6) . . . . ? B4 B3 B8 B12 -0.04(8) . . . . ? B2 B7 B8 Cl18 109.45(8) . . . . ? B6 B7 B8 Cl18 147.20(6) . . . . ? B11 B7 B8 Cl18 -148.22(6) . . . . ? B12 B7 B8 Cl18 -111.41(8) . . . . ? Cl17 B7 B8 Cl18 2.50(12) . . . . ? B2 B7 B8 B3 -38.30(6) . . . . ? B6 B7 B8 B3 -0.56(8) . . . . ? B11 B7 B8 B3 64.03(8) . . . . ? B12 B7 B8 B3 100.83(6) . . . . ? Cl17 B7 B8 B3 -145.25(7) . . . . ? B6 B7 B8 B2 37.74(6) . . . . ? B11 B7 B8 B2 102.33(7) . . . . ? B12 B7 B8 B2 139.13(6) . . . . ? Cl17 B7 B8 B2 -106.95(8) . . . . ? B2 B7 B8 B9 -100.82(6) . . . . ? B6 B7 B8 B9 -63.08(8) . . . . ? B11 B7 B8 B9 1.51(8) . . . . ? B12 B7 B8 B9 38.31(6) . . . . ? Cl17 B7 B8 B9 152.22(6) . . . . ? B2 B7 B8 B12 -139.13(6) . . . . ? B6 B7 B8 B12 -101.39(7) . . . . ? B11 B7 B8 B12 -36.80(6) . . . . ? Cl17 B7 B8 B12 113.91(8) . . . . ? C1 B2 B8 Cl18 147.82(6) . . . . ? Cl12 B2 B8 Cl18 -0.06(10) . . . . ? B7 B2 B8 Cl18 -114.95(7) . . . . ? B3 B2 B8 Cl18 108.35(7) . . . . ? B6 B2 B8 Cl18 -151.60(6) . . . . ? C1 B2 B8 B3 39.47(6) . . . . ? Cl12 B2 B8 B3 -108.40(7) . . . . ? B7 B2 B8 B3 136.71(6) . . . . ? B6 B2 B8 B3 100.06(7) . . . . ? C1 B2 B8 B7 -97.24(6) . . . . ? Cl12 B2 B8 B7 114.89(7) . . . . ? B3 B2 B8 B7 -136.71(6) . . . . ? B6 B2 B8 B7 -36.65(6) . . . . ? C1 B2 B8 B9 2.10(8) . . . . ? Cl12 B2 B8 B9 -145.77(6) . . . . ? B7 B2 B8 B9 99.34(6) . . . . ? B3 B2 B8 B9 -37.37(6) . . . . ? B6 B2 B8 B9 62.69(7) . . . . ? C1 B2 B8 B12 -60.84(7) . . . . ? Cl12 B2 B8 B12 151.29(6) . . . . ? B7 B2 B8 B12 36.40(6) . . . . ? B3 B2 B8 B12 -100.31(6) . . . . ? B6 B2 B8 B12 -0.25(8) . . . . ? C1 B4 B9 Cl19 -150.44(6) . . . . ? Cl13 B4 B9 Cl19 -2.55(10) . . . . ? B10 B4 B9 Cl19 110.60(7) . . . . ? B3 B4 B9 Cl19 -110.91(7) . . . . ? B5 B4 B9 Cl19 148.17(6) . . . . ? C1 B4 B9 B3 -39.54(5) . . . . ? Cl13 B4 B9 B3 108.35(7) . . . . ? B10 B4 B9 B3 -138.49(6) . . . . ? B5 B4 B9 B3 -100.93(7) . . . . ? C1 B4 B9 B12 61.53(8) . . . . ? Cl13 B4 B9 B12 -150.58(6) . . . . ? B10 B4 B9 B12 -37.42(6) . . . . ? B3 B4 B9 B12 101.07(7) . . . . ? B5 B4 B9 B12 0.14(8) . . . . ? C1 B4 B9 B10 98.95(6) . . . . ? Cl13 B4 B9 B10 -113.16(8) . . . . ? B3 B4 B9 B10 138.49(6) . . . . ? B5 B4 B9 B10 37.56(6) . . . . ? C1 B4 B9 B8 -2.41(8) . . . . ? Cl13 B4 B9 B8 145.48(6) . . . . ? B10 B4 B9 B8 -101.36(7) . . . . ? B3 B4 B9 B8 37.13(6) . . . . ? B5 B4 B9 B8 -63.80(8) . . . . ? C1 B3 B9 Cl19 150.46(6) . . . . ? Cl14 B3 B9 Cl19 2.29(10) . . . . ? B8 B3 B9 Cl19 -110.36(7) . . . . ? B2 B3 B9 Cl19 -148.16(6) . . . . ? B4 B3 B9 Cl19 111.09(7) . . . . ? C1 B3 B9 B4 39.37(5) . . . . ? Cl14 B3 B9 B4 -108.80(7) . . . . ? B8 B3 B9 B4 138.55(6) . . . . ? B2 B3 B9 B4 100.75(6) . . . . ? C1 B3 B9 B12 -61.59(7) . . . . ? Cl14 B3 B9 B12 150.24(6) . . . . ? B8 B3 B9 B12 37.59(6) . . . . ? B2 B3 B9 B12 -0.21(8) . . . . ? B4 B3 B9 B12 -100.96(6) . . . . ? C1 B3 B9 B10 2.31(8) . . . . ? Cl14 B3 B9 B10 -145.86(6) . . . . ? B8 B3 B9 B10 101.50(6) . . . . ? B2 B3 B9 B10 63.69(7) . . . . ? B4 B3 B9 B10 -37.06(6) . . . . ? C1 B3 B9 B8 -99.19(6) . . . . ? Cl14 B3 B9 B8 112.64(7) . . . . ? B2 B3 B9 B8 -37.81(6) . . . . ? B4 B3 B9 B8 -138.55(6) . . . . ? Cl18 B8 B9 Cl19 2.13(10) . . . . ? B3 B8 B9 Cl19 110.85(7) . . . . ? B7 B8 B9 Cl19 -149.31(6) . . . . ? B2 B8 B9 Cl19 148.38(6) . . . . ? B12 B8 B9 Cl19 -110.96(7) . . . . ? Cl18 B8 B9 B4 -146.06(6) . . . . ? B3 B8 B9 B4 -37.34(6) . . . . ? B7 B8 B9 B4 62.50(8) . . . . ? B2 B8 B9 B4 0.19(8) . . . . ? B12 B8 B9 B4 100.85(6) . . . . ? Cl18 B8 B9 B3 -108.72(7) . . . . ? B7 B8 B9 B3 99.84(6) . . . . ? B2 B8 B9 B3 37.53(6) . . . . ? B12 B8 B9 B3 138.19(6) . . . . ? Cl18 B8 B9 B12 113.09(7) . . . . ? B3 B8 B9 B12 -138.19(6) . . . . ? B7 B8 B9 B12 -38.34(6) . . . . ? B2 B8 B9 B12 -100.66(6) . . . . ? Cl18 B8 B9 B10 150.58(6) . . . . ? B3 B8 B9 B10 -100.70(6) . . . . ? B7 B8 B9 B10 -0.86(8) . . . . ? B2 B8 B9 B10 -63.17(8) . . . . ? B12 B8 B9 B10 37.48(6) . . . . ? C1 B4 B10 Cl20 149.78(6) . . . . ? Cl13 B4 B10 Cl20 2.78(10) . . . . ? B9 B4 B10 Cl20 -111.63(7) . . . . ? B3 B4 B10 Cl20 -148.77(6) . . . . ? B5 B4 B10 Cl20 110.36(7) . . . . ? C1 B4 B10 B5 39.42(5) . . . . ? Cl13 B4 B10 B5 -107.58(7) . . . . ? B9 B4 B10 B5 138.01(6) . . . . ? B3 B4 B10 B5 100.86(7) . . . . ? C1 B4 B10 B9 -98.60(6) . . . . ? Cl13 B4 B10 B9 114.41(7) . . . . ? B3 B4 B10 B9 -37.15(6) . . . . ? B5 B4 B10 B9 -138.01(6) . . . . ? C1 B4 B10 B11 2.00(7) . . . . ? Cl13 B4 B10 B11 -145.00(6) . . . . ? B9 B4 B10 B11 100.59(6) . . . . ? B3 B4 B10 B11 63.45(7) . . . . ? B5 B4 B10 B11 -37.42(6) . . . . ? C1 B4 B10 B12 -61.52(7) . . . . ? Cl13 B4 B10 B12 151.48(6) . . . . ? B9 B4 B10 B12 37.08(6) . . . . ? B3 B4 B10 B12 -0.07(8) . . . . ? B5 B4 B10 B12 -100.94(7) . . . . ? C1 B5 B10 Cl20 -149.07(6) . . . . ? Cl15 B5 B10 Cl20 -1.94(10) . . . . ? B6 B5 B10 Cl20 149.93(6) . . . . ? B11 B5 B10 Cl20 112.02(7) . . . . ? B4 B5 B10 Cl20 -109.90(7) . . . . ? C1 B5 B10 B4 -39.17(5) . . . . ? Cl15 B5 B10 B4 107.96(7) . . . . ? B6 B5 B10 B4 -100.17(7) . . . . ? B11 B5 B10 B4 -138.08(6) . . . . ? C1 B5 B10 B9 -1.72(8) . . . . ? Cl15 B5 B10 B9 145.41(6) . . . . ? B6 B5 B10 B9 -62.72(8) . . . . ? B11 B5 B10 B9 -100.63(6) . . . . ? B4 B5 B10 B9 37.45(6) . . . . ? C1 B5 B10 B11 98.91(6) . . . . ? Cl15 B5 B10 B11 -113.96(7) . . . . ? B6 B5 B10 B11 37.91(6) . . . . ? B4 B5 B10 B11 138.08(6) . . . . ? C1 B5 B10 B12 61.48(7) . . . . ? Cl15 B5 B10 B12 -151.39(6) . . . . ? B6 B5 B10 B12 0.48(8) . . . . ? B11 B5 B10 B12 -37.43(6) . . . . ? B4 B5 B10 B12 100.65(7) . . . . ? Cl19 B9 B10 Cl20 -1.66(10) . . . . ? B4 B9 B10 Cl20 109.13(7) . . . . ? B3 B9 B10 Cl20 146.48(6) . . . . ? B12 B9 B10 Cl20 -112.51(7) . . . . ? B8 B9 B10 Cl20 -150.00(6) . . . . ? Cl19 B9 B10 B4 -110.80(7) . . . . ? B3 B9 B10 B4 37.35(6) . . . . ? B12 B9 B10 B4 138.36(6) . . . . ? B8 B9 B10 B4 100.87(7) . . . . ? Cl19 B9 B10 B5 -148.52(6) . . . . ? B4 B9 B10 B5 -37.73(6) . . . . ? B3 B9 B10 B5 -0.37(8) . . . . ? B12 B9 B10 B5 100.63(7) . . . . ? B8 B9 B10 B5 63.14(8) . . . . ? Cl19 B9 B10 B11 148.24(6) . . . . ? B4 B9 B10 B11 -100.96(7) . . . . ? B3 B9 B10 B11 -63.61(7) . . . . ? B12 B9 B10 B11 37.40(6) . . . . ? B8 B9 B10 B11 -0.09(8) . . . . ? Cl19 B9 B10 B12 110.84(7) . . . . ? B4 B9 B10 B12 -138.36(6) . . . . ? B3 B9 B10 B12 -101.01(7) . . . . ? B8 B9 B10 B12 -37.49(6) . . . . ? C1 B5 B11 Cl21 150.23(6) . . . . ? Cl15 B5 B11 Cl21 3.01(11) . . . . ? B6 B5 B11 Cl21 110.75(7) . . . . ? B10 B5 B11 Cl21 -111.38(7) . . . . ? B4 B5 B11 Cl21 -148.70(6) . . . . ? C1 B5 B11 B7 1.91(8) . . . . ? Cl15 B5 B11 B7 -145.31(6) . . . . ? B6 B5 B11 B7 -37.57(6) . . . . ? B10 B5 B11 B7 100.30(6) . . . . ? B4 B5 B11 B7 62.98(8) . . . . ? C1 B5 B11 B6 39.48(5) . . . . ? Cl15 B5 B11 B6 -107.74(7) . . . . ? B10 B5 B11 B6 137.87(6) . . . . ? B4 B5 B11 B6 100.55(7) . . . . ? C1 B5 B11 B10 -98.39(6) . . . . ? Cl15 B5 B11 B10 114.39(8) . . . . ? B6 B5 B11 B10 -137.87(6) . . . . ? B4 B5 B11 B10 -37.32(6) . . . . ? C1 B5 B11 B12 -61.01(7) . . . . ? Cl15 B5 B11 B12 151.77(6) . . . . ? B6 B5 B11 B12 -100.49(6) . . . . ? B10 B5 B11 B12 37.38(6) . . . . ? B4 B5 B11 B12 0.06(8) . . . . ? B2 B7 B11 Cl21 -148.45(6) . . . . ? B6 B7 B11 Cl21 -111.10(7) . . . . ? B8 B7 B11 Cl21 146.87(6) . . . . ? B12 B7 B11 Cl21 110.05(7) . . . . ? Cl17 B7 B11 Cl21 -8.49(9) . . . . ? B2 B7 B11 B5 0.37(8) . . . . ? B6 B7 B11 B5 37.73(6) . . . . ? B8 B7 B11 B5 -64.30(8) . . . . ? B12 B7 B11 B5 -101.12(6) . . . . ? Cl17 B7 B11 B5 140.34(6) . . . . ? B2 B7 B11 B6 -37.35(6) . . . . ? B8 B7 B11 B6 -102.02(7) . . . . ? B12 B7 B11 B6 -138.85(6) . . . . ? Cl17 B7 B11 B6 102.61(6) . . . . ? B2 B7 B11 B10 63.10(8) . . . . ? B6 B7 B11 B10 100.45(6) . . . . ? B8 B7 B11 B10 -1.57(8) . . . . ? B12 B7 B11 B10 -38.39(6) . . . . ? Cl17 B7 B11 B10 -156.93(5) . . . . ? B2 B7 B11 B12 101.50(7) . . . . ? B6 B7 B11 B12 138.85(6) . . . . ? B8 B7 B11 B12 36.82(6) . . . . ? Cl17 B7 B11 B12 -118.54(6) . . . . ? C1 B6 B11 Cl21 -152.08(6) . . . . ? Cl16 B6 B11 Cl21 -3.24(10) . . . . ? B7 B6 B11 Cl21 110.45(7) . . . . ? B5 B6 B11 Cl21 -112.23(7) . . . . ? B2 B6 B11 Cl21 146.57(6) . . . . ? C1 B6 B11 B5 -39.84(5) . . . . ? Cl16 B6 B11 B5 109.00(7) . . . . ? B7 B6 B11 B5 -137.32(6) . . . . ? B2 B6 B11 B5 -101.20(6) . . . . ? C1 B6 B11 B7 97.48(6) . . . . ? Cl16 B6 B11 B7 -113.68(7) . . . . ? B5 B6 B11 B7 137.32(6) . . . . ? B2 B6 B11 B7 36.12(6) . . . . ? C1 B6 B11 B10 -2.47(8) . . . . ? Cl16 B6 B11 B10 146.37(6) . . . . ? B7 B6 B11 B10 -99.94(6) . . . . ? B5 B6 B11 B10 37.37(6) . . . . ? B2 B6 B11 B10 -63.82(7) . . . . ? C1 B6 B11 B12 60.84(7) . . . . ? Cl16 B6 B11 B12 -150.32(6) . . . . ? B7 B6 B11 B12 -36.64(6) . . . . ? B5 B6 B11 B12 100.68(6) . . . . ? B2 B6 B11 B12 -0.52(8) . . . . ? Cl20 B10 B11 Cl21 2.68(10) . . . . ? B4 B10 B11 Cl21 149.71(6) . . . . ? B5 B10 B11 Cl21 112.03(7) . . . . ? B9 B10 B11 Cl21 -147.08(6) . . . . ? B12 B10 B11 Cl21 -109.82(7) . . . . ? Cl20 B10 B11 B5 -109.34(7) . . . . ? B4 B10 B11 B5 37.68(6) . . . . ? B9 B10 B11 B5 100.90(7) . . . . ? B12 B10 B11 B5 138.15(6) . . . . ? Cl20 B10 B11 B7 150.77(6) . . . . ? B4 B10 B11 B7 -62.21(7) . . . . ? B5 B10 B11 B7 -99.89(7) . . . . ? B9 B10 B11 B7 1.01(8) . . . . ? B12 B10 B11 B7 38.27(6) . . . . ? Cl20 B10 B11 B6 -146.73(6) . . . . ? B4 B10 B11 B6 0.29(8) . . . . ? B5 B10 B11 B6 -37.39(6) . . . . ? B9 B10 B11 B6 63.51(7) . . . . ? B12 B10 B11 B6 100.76(6) . . . . ? Cl20 B10 B11 B12 112.50(7) . . . . ? B4 B10 B11 B12 -100.47(6) . . . . ? B5 B10 B11 B12 -138.15(6) . . . . ? B9 B10 B11 B12 -37.26(6) . . . . ? B2 B7 B12 Cl22 147.02(6) . . . . ? B6 B7 B12 Cl22 -147.78(6) . . . . ? B8 B7 B12 Cl22 109.92(7) . . . . ? B11 B7 B12 Cl22 -110.50(7) . . . . ? Cl17 B7 B12 Cl22 -9.54(10) . . . . ? B2 B7 B12 B9 -1.38(8) . . . . ? B6 B7 B12 B9 63.82(7) . . . . ? B8 B7 B12 B9 -38.47(5) . . . . ? B11 B7 B12 B9 101.10(6) . . . . ? Cl17 B7 B12 B9 -157.93(6) . . . . ? B2 B7 B12 B10 -64.23(7) . . . . ? B6 B7 B12 B10 0.97(8) . . . . ? B8 B7 B12 B10 -101.33(6) . . . . ? B11 B7 B12 B10 38.25(6) . . . . ? Cl17 B7 B12 B10 139.21(6) . . . . ? B2 B7 B12 B11 -102.48(6) . . . . ? B6 B7 B12 B11 -37.28(6) . . . . ? B8 B7 B12 B11 -139.58(6) . . . . ? Cl17 B7 B12 B11 100.96(7) . . . . ? B2 B7 B12 B8 37.10(6) . . . . ? B6 B7 B12 B8 102.30(6) . . . . ? B11 B7 B12 B8 139.58(6) . . . . ? Cl17 B7 B12 B8 -119.46(7) . . . . ? Cl19 B9 B12 Cl22 -0.09(10) . . . . ? B4 B9 B12 Cl22 148.00(6) . . . . ? B3 B9 B12 Cl22 -148.07(6) . . . . ? B10 B9 B12 Cl22 110.86(7) . . . . ? B8 B9 B12 Cl22 -110.68(7) . . . . ? Cl19 B9 B12 B7 148.94(6) . . . . ? B4 B9 B12 B7 -62.96(7) . . . . ? B3 B9 B12 B7 0.97(8) . . . . ? B10 B9 B12 B7 -100.10(6) . . . . ? B8 B9 B12 B7 38.35(5) . . . . ? Cl19 B9 B12 B10 -110.95(7) . . . . ? B4 B9 B12 B10 37.14(6) . . . . ? B3 B9 B12 B10 101.07(6) . . . . ? B8 B9 B12 B10 138.46(6) . . . . ? Cl19 B9 B12 B11 -148.20(6) . . . . ? B4 B9 B12 B11 -0.11(8) . . . . ? B3 B9 B12 B11 63.82(7) . . . . ? B10 B9 B12 B11 -37.25(6) . . . . ? B8 B9 B12 B11 101.20(7) . . . . ? Cl19 B9 B12 B8 110.59(7) . . . . ? B4 B9 B12 B8 -101.31(7) . . . . ? B3 B9 B12 B8 -37.39(6) . . . . ? B10 B9 B12 B8 -138.46(6) . . . . ? Cl20 B10 B12 Cl22 -0.09(10) . . . . ? B4 B10 B12 Cl22 -147.74(6) . . . . ? B5 B10 B12 Cl22 148.45(6) . . . . ? B9 B10 B12 Cl22 -110.66(7) . . . . ? B11 B10 B12 Cl22 111.14(7) . . . . ? Cl20 B10 B12 B7 -149.42(6) . . . . ? B4 B10 B12 B7 62.93(8) . . . . ? B5 B10 B12 B7 -0.88(8) . . . . ? B9 B10 B12 B7 100.00(7) . . . . ? B11 B10 B12 B7 -38.19(6) . . . . ? Cl20 B10 B12 B9 110.58(7) . . . . ? B4 B10 B12 B9 -37.08(6) . . . . ? B5 B10 B12 B9 -100.89(7) . . . . ? B11 B10 B12 B9 -138.19(6) . . . . ? Cl20 B10 B12 B11 -111.23(7) . . . . ? B4 B10 B12 B11 101.12(7) . . . . ? B5 B10 B12 B11 37.31(6) . . . . ? B9 B10 B12 B11 138.19(6) . . . . ? Cl20 B10 B12 B8 147.70(6) . . . . ? B4 B10 B12 B8 0.05(8) . . . . ? B5 B10 B12 B8 -63.76(8) . . . . ? B9 B10 B12 B8 37.13(6) . . . . ? B11 B10 B12 B8 -101.06(7) . . . . ? Cl21 B11 B12 Cl22 1.54(10) . . . . ? B5 B11 B12 Cl22 -147.93(6) . . . . ? B7 B11 B12 Cl22 112.54(7) . . . . ? B6 B11 B12 Cl22 149.02(6) . . . . ? B10 B11 B12 Cl22 -110.70(7) . . . . ? Cl21 B11 B12 B7 -111.00(7) . . . . ? B5 B11 B12 B7 99.53(7) . . . . ? B6 B11 B12 B7 36.48(6) . . . . ? B10 B11 B12 B7 136.76(6) . . . . ? Cl21 B11 B12 B9 149.50(6) . . . . ? B5 B11 B12 B9 0.03(8) . . . . ? B7 B11 B12 B9 -99.50(7) . . . . ? B6 B11 B12 B9 -63.02(8) . . . . ? B10 B11 B12 B9 37.26(6) . . . . ? Cl21 B11 B12 B10 112.24(7) . . . . ? B5 B11 B12 B10 -37.23(6) . . . . ? B7 B11 B12 B10 -136.76(6) . . . . ? B6 B11 B12 B10 -100.28(6) . . . . ? Cl21 B11 B12 B8 -147.11(6) . . . . ? B5 B11 B12 B8 63.42(8) . . . . ? B7 B11 B12 B8 -36.11(6) . . . . ? B6 B11 B12 B8 0.36(8) . . . . ? B10 B11 B12 B8 100.64(7) . . . . ? Cl18 B8 B12 Cl22 1.98(10) . . . . ? B3 B8 B12 Cl22 147.85(6) . . . . ? B7 B8 B12 Cl22 -112.70(7) . . . . ? B2 B8 B12 Cl22 -148.89(6) . . . . ? B9 B8 B12 Cl22 110.77(7) . . . . ? Cl18 B8 B12 B7 114.68(7) . . . . ? B3 B8 B12 B7 -99.45(6) . . . . ? B2 B8 B12 B7 -36.19(6) . . . . ? B9 B8 B12 B7 -136.53(6) . . . . ? Cl18 B8 B12 B9 -108.79(7) . . . . ? B3 B8 B12 B9 37.08(6) . . . . ? B7 B8 B12 B9 136.53(6) . . . . ? B2 B8 B12 B9 100.34(6) . . . . ? Cl18 B8 B12 B10 -145.88(6) . . . . ? B3 B8 B12 B10 -0.01(8) . . . . ? B7 B8 B12 B10 99.44(6) . . . . ? B2 B8 B12 B10 63.25(7) . . . . ? B9 B8 B12 B10 -37.09(6) . . . . ? Cl18 B8 B12 B11 150.80(6) . . . . ? B3 B8 B12 B11 -63.33(8) . . . . ? B7 B8 B12 B11 36.13(6) . . . . ? B2 B8 B12 B11 -0.07(8) . . . . ? B9 B8 B12 B11 -100.41(6) . . . . ? B2 B7 Cl17 Si1 -81.77(6) . . . . ? B6 B7 Cl17 Si1 -150.52(4) . . . . ? B8 B7 Cl17 Si1 -6.57(9) . . . . ? B11 B7 Cl17 Si1 142.87(4) . . . . ? B12 B7 Cl17 Si1 72.37(7) . . . . ? B7 Cl17 Si1 C2 -63.71(5) . . . . ? B7 Cl17 Si1 C6 60.71(5) . . . . ? B7 Cl17 Si1 C4 177.64(5) . . . . ? C6 Si1 C2 C3 73.24(7) . . . . ? C4 Si1 C2 C3 -69.72(7) . . . . ? Cl17 Si1 C2 C3 -170.90(5) . . . . ? C2 Si1 C4 C5 -29.93(8) . . . . ? C6 Si1 C4 C5 -174.23(7) . . . . ? Cl17 Si1 C4 C5 76.20(7) . . . . ? C2 Si1 C6 C7 -166.87(6) . . . . ? C4 Si1 C6 C7 -23.08(8) . . . . ? Cl17 Si1 C6 C7 79.18(7) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 40.25 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 0.568 _refine_diff_density_min -0.338 _refine_diff_density_rms 0.069 data_cr109_0m _database_code_depnum_ccdc_archive 'CCDC 280855' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C7 H20 B11 Cl11 Si2' _chemical_formula_weight 669.27 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' Si Si 0.0817 0.0704 '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' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.2823(2) _cell_length_b 12.3891(2) _cell_length_c 12.5827(2) _cell_angle_alpha 80.4810(10) _cell_angle_beta 86.0780(10) _cell_angle_gamma 85.6450(10) _cell_volume 1420.66(4) _cell_formula_units_Z 2 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 6580 _cell_measurement_theta_min 2.15 _cell_measurement_theta_max 31.61 _exptl_crystal_description 'prism frag' _exptl_crystal_colour colourless _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas 0 _exptl_crystal_density_diffrn 1.565 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 664 _exptl_absorpt_coefficient_mu 1.161 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7570 _exptl_absorpt_correction_T_max 0.9129 _exptl_absorpt_process_details 'Bruker SADABS' _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Normal-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 73069 _diffrn_reflns_av_R_equivalents 0.0447 _diffrn_reflns_av_sigmaI/netI 0.0450 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 1.64 _diffrn_reflns_theta_max 36.32 _reflns_number_total 13696 _reflns_number_gt 10281 _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^)+(0.0289P)^2^+0.3462P] 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 13696 _refine_ls_number_parameters 312 _refine_ls_number_restraints 11 _refine_ls_R_factor_all 0.0518 _refine_ls_R_factor_gt 0.0320 _refine_ls_wR_factor_ref 0.0797 _refine_ls_wR_factor_gt 0.0722 _refine_ls_goodness_of_fit_ref 1.027 _refine_ls_restrained_S_all 1.026 _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 C1 C 0.43530(11) 0.62154(9) 0.34522(9) 0.01553(17) Uani 1 1 d D . . H1 H 0.3967(7) 0.5603(7) 0.3917(6) 0.027(4) Uiso 1 1 d D . . B2 B 0.35517(12) 0.74968(10) 0.35348(9) 0.01440(19) Uani 1 1 d D . . B3 B 0.33479(12) 0.68380(9) 0.23950(9) 0.01460(19) Uani 1 1 d D . . B4 B 0.49896(13) 0.60256(9) 0.21783(10) 0.0160(2) Uani 1 1 d D . . B5 B 0.61959(12) 0.61813(10) 0.31851(10) 0.0167(2) Uani 1 1 d D . . B6 B 0.53021(12) 0.70876(10) 0.40214(9) 0.0160(2) Uani 1 1 d D . . B7 B 0.49844(12) 0.83958(10) 0.32154(9) 0.01448(19) Uani 1 1 d . . . B8 B 0.37698(12) 0.82414(9) 0.22077(9) 0.01348(18) Uani 1 1 d . . . B9 B 0.46587(12) 0.73295(9) 0.13638(9) 0.01420(18) Uani 1 1 d . . . B10 B 0.64264(12) 0.69187(10) 0.18520(10) 0.01543(19) Uani 1 1 d . . . B11 B 0.66291(12) 0.75778(10) 0.29970(10) 0.0158(2) Uani 1 1 d . . . B12 B 0.56738(12) 0.82956(9) 0.18689(9) 0.01394(18) Uani 1 1 d . . . Cl1 Cl 0.20490(3) 0.76837(2) 0.44476(2) 0.01988(5) Uani 1 1 d . . . Cl2 Cl 0.16542(3) 0.63881(2) 0.21644(2) 0.02109(5) Uani 1 1 d . . . Cl3 Cl 0.49295(3) 0.47497(2) 0.17305(3) 0.02420(6) Uani 1 1 d . . . Cl4 Cl 0.73421(3) 0.50630(2) 0.37680(3) 0.02457(6) Uani 1 1 d . . . Cl5 Cl 0.55349(3) 0.68648(3) 0.54295(2) 0.02230(6) Uani 1 1 d . . . Cl6 Cl 0.49833(3) 0.96191(2) 0.37777(2) 0.02103(5) Uani 1 1 d . . . Cl7 Cl 0.24708(3) 0.93051(2) 0.17168(2) 0.01823(5) Uani 1 1 d . . . Cl8 Cl 0.43139(3) 0.74448(2) -0.00239(2) 0.01954(5) Uani 1 1 d . . . Cl9 Cl 0.79300(3) 0.66073(2) 0.09748(2) 0.02198(6) Uani 1 1 d . . . Cl10 Cl 0.83410(3) 0.79497(3) 0.33138(2) 0.02341(6) Uani 1 1 d . . . Cl11 Cl 0.63999(3) 0.94271(2) 0.10008(2) 0.02017(5) Uani 1 1 d . . . Si1' Si 0.14889(3) 0.21656(3) 0.31471(3) 0.01736(6) Uani 1 1 d . . . H1' H 0.0246(17) 0.1950(13) 0.2402(12) 0.020(4) Uiso 1 1 d . . . C1' C 0.08339(13) 0.34673(10) 0.35950(11) 0.0242(2) Uani 1 1 d . . . H1'1 H 0.1373 0.3573 0.4209 0.047(6) Uiso 1 1 calc R . . H1'2 H -0.0199 0.3446 0.3814 0.066(7) Uiso 1 1 calc R . . H1'3 H 0.0978 0.4076 0.3001 0.051(6) Uiso 1 1 calc R . . C2' C 0.30873(13) 0.21998(11) 0.21989(11) 0.0247(2) Uani 1 1 d . . . H2'1 H 0.2956 0.2818 0.1610 0.054(6) Uiso 1 1 calc R . . H2'2 H 0.3210 0.1513 0.1902 0.051(6) Uiso 1 1 calc R . . H2'3 H 0.3948 0.2287 0.2578 0.051(6) Uiso 1 1 calc R . . C3' C 0.13184(16) 0.09287(10) 0.41598(11) 0.0291(3) Uani 1 1 d . . . H3'1 H 0.1432 0.0279 0.3802 0.054(6) Uiso 1 1 calc R . . H3'2 H 0.0363 0.0959 0.4540 0.045(5) Uiso 1 1 calc R . . H3'3 H 0.2070 0.0886 0.4678 0.038(5) Uiso 1 1 calc R . . Si2' Si -0.10491(3) 0.21908(3) 0.15751(3) 0.01932(6) Uani 1 1 d . . . C4' C -0.10191(16) 0.36613(11) 0.10337(12) 0.0291(3) Uani 1 1 d . . . H4'1 H -0.1349 0.4090 0.1604 0.046(5) Uiso 1 1 calc R . . H4'2 H -0.1662 0.3844 0.0435 0.057(6) Uiso 1 1 calc R . . H4'3 H -0.0031 0.3835 0.0774 0.044(5) Uiso 1 1 calc R . . C5' C -0.04325(14) 0.12346(11) 0.06379(11) 0.0269(2) Uani 1 1 d . . . H5'1 H -0.1087 0.1325 0.0046 0.050(6) Uiso 1 1 calc R . . H5'2 H -0.0431 0.0480 0.1024 0.047(6) Uiso 1 1 calc R . . H5'3 H 0.0549 0.1390 0.0345 0.031(4) Uiso 1 1 calc R . . C6' C -0.25370(15) 0.17746(14) 0.25636(11) 0.0325(3) Uani 1 1 d . . . H6'1 H -0.2283 0.1047 0.2968 0.062(7) Uiso 1 1 calc R . . H6'2 H -0.3420 0.1750 0.2186 0.047(6) Uiso 1 1 calc R . . H6'3 H -0.2701 0.2305 0.3064 0.064(7) 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 C1 0.0147(4) 0.0135(4) 0.0168(4) 0.0002(3) 0.0017(3) 0.0013(3) B2 0.0133(4) 0.0154(5) 0.0134(5) -0.0015(4) 0.0014(3) 0.0019(4) B3 0.0146(4) 0.0137(5) 0.0154(5) -0.0031(4) 0.0005(4) 0.0000(4) B4 0.0168(5) 0.0124(5) 0.0184(5) -0.0032(4) 0.0024(4) 0.0009(4) B5 0.0143(5) 0.0166(5) 0.0175(5) 0.0000(4) 0.0009(4) 0.0038(4) B6 0.0149(5) 0.0190(5) 0.0131(5) -0.0011(4) -0.0003(4) 0.0020(4) B7 0.0161(5) 0.0144(5) 0.0133(5) -0.0039(4) -0.0009(4) 0.0003(4) B8 0.0145(4) 0.0125(4) 0.0130(5) -0.0019(4) -0.0006(3) 0.0017(3) B9 0.0154(4) 0.0139(5) 0.0135(5) -0.0036(4) 0.0005(4) -0.0003(4) B10 0.0142(4) 0.0151(5) 0.0163(5) -0.0034(4) 0.0026(4) 0.0021(4) B11 0.0126(4) 0.0179(5) 0.0164(5) -0.0022(4) -0.0006(4) 0.0004(4) B12 0.0146(4) 0.0133(4) 0.0136(5) -0.0021(4) 0.0009(3) -0.0011(3) Cl1 0.01618(10) 0.02470(12) 0.01702(11) -0.00283(9) 0.00496(8) 0.00340(9) Cl2 0.01578(11) 0.02212(12) 0.02622(13) -0.00496(10) -0.00070(9) -0.00483(9) Cl3 0.02895(14) 0.01335(11) 0.03107(15) -0.00829(10) 0.00368(11) -0.00078(9) Cl4 0.02046(12) 0.02147(12) 0.02727(14) 0.00383(10) 0.00034(10) 0.00915(9) Cl5 0.02125(12) 0.03101(14) 0.01307(11) 0.00013(10) -0.00233(9) 0.00161(10) Cl6 0.02458(12) 0.01909(12) 0.02162(12) -0.01014(9) -0.00127(9) -0.00056(9) Cl7 0.01927(11) 0.01585(11) 0.01859(11) -0.00199(9) -0.00348(8) 0.00559(8) Cl8 0.02229(12) 0.02390(12) 0.01302(10) -0.00534(9) -0.00053(8) -0.00063(9) Cl9 0.01805(11) 0.02349(12) 0.02295(12) -0.00507(10) 0.00784(9) 0.00277(9) Cl10 0.01433(10) 0.03167(14) 0.02505(13) -0.00566(11) -0.00289(9) -0.00271(9) Cl11 0.02284(12) 0.01671(11) 0.01962(12) 0.00142(9) 0.00212(9) -0.00520(9) Si1' 0.01399(12) 0.01722(13) 0.02076(14) -0.00352(11) 0.00081(10) -0.00099(10) C1' 0.0208(5) 0.0191(5) 0.0322(6) -0.0052(5) 0.0011(4) 0.0018(4) C2' 0.0239(5) 0.0249(6) 0.0260(6) -0.0079(5) 0.0071(4) -0.0060(4) C3' 0.0361(7) 0.0196(5) 0.0279(6) -0.0002(5) 0.0111(5) 0.0032(5) Si2' 0.01633(13) 0.02030(14) 0.02173(15) -0.00477(12) -0.00051(11) -0.00111(11) C4' 0.0339(7) 0.0206(5) 0.0320(7) -0.0054(5) 0.0027(5) 0.0013(5) C5' 0.0232(5) 0.0269(6) 0.0328(7) -0.0125(5) -0.0019(5) 0.0011(4) C6' 0.0265(6) 0.0460(8) 0.0257(6) -0.0056(6) 0.0030(5) -0.0114(6) _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 C1 B6 1.7157(16) . ? C1 B4 1.7170(16) . ? C1 B2 1.7173(15) . ? C1 B3 1.7193(15) . ? C1 B5 1.7194(15) . ? B2 Cl1 1.7715(11) . ? B2 B8 1.7757(16) . ? B2 B7 1.7817(16) . ? B2 B6 1.7833(16) . ? B2 B3 1.7907(17) . ? B3 Cl2 1.7651(12) . ? B3 B9 1.7805(16) . ? B3 B8 1.7853(16) . ? B3 B4 1.7918(16) . ? B4 Cl3 1.7697(12) . ? B4 B10 1.7806(17) . ? B4 B9 1.7816(17) . ? B4 B5 1.7898(17) . ? B5 Cl4 1.7709(12) . ? B5 B10 1.7798(17) . ? B5 B11 1.7799(17) . ? B5 B6 1.7850(17) . ? B6 Cl5 1.7731(12) . ? B6 B7 1.7796(17) . ? B6 B11 1.7846(17) . ? B7 Cl6 1.7753(12) . ? B7 B12 1.7901(16) . ? B7 B8 1.7956(16) . ? B7 B11 1.7980(16) . ? B8 Cl7 1.7786(11) . ? B8 B12 1.7931(16) . ? B8 B9 1.7945(16) . ? B9 Cl8 1.7773(12) . ? B9 B12 1.7970(16) . ? B9 B10 1.7989(16) . ? B10 Cl9 1.7786(12) . ? B10 B11 1.7964(17) . ? B10 B12 1.7965(16) . ? B11 Cl10 1.7762(12) . ? B11 B12 1.7964(16) . ? B12 Cl11 1.7745(12) . ? Si1' C3' 1.8333(13) . ? Si1' C2' 1.8377(12) . ? Si1' C1' 1.8419(12) . ? Si2' C4' 1.8381(14) . ? Si2' C6' 1.8388(14) . ? Si2' C5' 1.8408(13) . ? 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 B6 C1 B4 114.69(8) . . ? B6 C1 B2 62.59(7) . . ? B4 C1 B2 114.74(8) . . ? B6 C1 B3 114.82(8) . . ? B4 C1 B3 62.86(7) . . ? B2 C1 B3 62.81(6) . . ? B6 C1 B5 62.61(7) . . ? B4 C1 B5 62.78(7) . . ? B2 C1 B5 114.52(8) . . ? B3 C1 B5 114.93(8) . . ? C1 B2 Cl1 121.30(8) . . ? C1 B2 B8 104.75(8) . . ? Cl1 B2 B8 124.78(7) . . ? C1 B2 B7 104.73(8) . . ? Cl1 B2 B7 125.09(8) . . ? B8 B2 B7 60.63(6) . . ? C1 B2 B6 58.66(6) . . ? Cl1 B2 B6 120.47(8) . . ? B8 B2 B6 108.38(8) . . ? B7 B2 B6 59.89(7) . . ? C1 B2 B3 58.65(6) . . ? Cl1 B2 B3 119.82(7) . . ? B8 B2 B3 60.08(6) . . ? B7 B2 B3 108.60(8) . . ? B6 B2 B3 108.15(8) . . ? C1 B3 Cl2 122.20(8) . . ? C1 B3 B9 104.40(8) . . ? Cl2 B3 B9 124.82(8) . . ? C1 B3 B8 104.26(8) . . ? Cl2 B3 B8 124.50(7) . . ? B9 B3 B8 60.43(6) . . ? C1 B3 B2 58.54(6) . . ? Cl2 B3 B2 120.48(7) . . ? B9 B3 B2 107.86(8) . . ? B8 B3 B2 59.54(6) . . ? C1 B3 B4 58.51(6) . . ? Cl2 B3 B4 120.97(8) . . ? B9 B3 B4 59.83(6) . . ? B8 B3 B4 108.00(8) . . ? B2 B3 B4 107.67(8) . . ? C1 B4 Cl3 121.69(8) . . ? C1 B4 B10 104.62(8) . . ? Cl3 B4 B10 124.90(8) . . ? C1 B4 B9 104.45(8) . . ? Cl3 B4 B9 124.72(8) . . ? B10 B4 B9 60.66(7) . . ? C1 B4 B5 58.67(6) . . ? Cl3 B4 B5 120.63(8) . . ? B10 B4 B5 59.80(7) . . ? B9 B4 B5 108.22(8) . . ? C1 B4 B3 58.63(6) . . ? Cl3 B4 B3 120.06(8) . . ? B10 B4 B3 108.41(8) . . ? B9 B4 B3 59.77(6) . . ? B5 B4 B3 108.07(8) . . ? C1 B5 Cl4 121.30(8) . . ? C1 B5 B10 104.56(8) . . ? Cl4 B5 B10 125.56(8) . . ? C1 B5 B11 104.89(8) . . ? Cl4 B5 B11 124.34(8) . . ? B10 B5 B11 60.62(7) . . ? C1 B5 B6 58.59(6) . . ? Cl4 B5 B6 119.54(8) . . ? B10 B5 B6 108.31(8) . . ? B11 B5 B6 60.08(7) . . ? C1 B5 B4 58.55(6) . . ? Cl4 B5 B4 121.00(8) . . ? B10 B5 B4 59.84(7) . . ? B11 B5 B4 108.46(8) . . ? B6 B5 B4 107.89(8) . . ? C1 B6 Cl5 120.88(8) . . ? C1 B6 B7 104.90(8) . . ? Cl5 B6 B7 124.89(8) . . ? C1 B6 B2 58.75(6) . . ? Cl5 B6 B2 119.62(8) . . ? B7 B6 B2 60.01(6) . . ? C1 B6 B11 104.84(8) . . ? Cl5 B6 B11 125.42(8) . . ? B7 B6 B11 60.59(7) . . ? B2 B6 B11 108.50(8) . . ? C1 B6 B5 58.79(6) . . ? Cl5 B6 B5 120.51(8) . . ? B7 B6 B5 108.35(8) . . ? B2 B6 B5 108.21(8) . . ? B11 B6 B5 59.82(7) . . ? Cl6 B7 B6 120.98(7) . . ? Cl6 B7 B2 121.42(7) . . ? B6 B7 B2 60.10(6) . . ? Cl6 B7 B12 122.81(8) . . ? B6 B7 B12 107.66(8) . . ? B2 B7 B12 107.51(8) . . ? Cl6 B7 B8 122.45(7) . . ? B6 B7 B8 107.67(8) . . ? B2 B7 B8 59.52(6) . . ? B12 B7 B8 60.01(6) . . ? Cl6 B7 B11 121.54(8) . . ? B6 B7 B11 59.84(7) . . ? B2 B7 B11 107.97(8) . . ? B12 B7 B11 60.08(6) . . ? B8 B7 B11 108.12(8) . . ? B2 B8 Cl7 120.65(7) . . ? B2 B8 B3 60.38(7) . . ? Cl7 B8 B3 120.65(7) . . ? B2 B8 B12 107.64(8) . . ? Cl7 B8 B12 123.23(7) . . ? B3 B8 B12 107.82(8) . . ? B2 B8 B9 107.90(8) . . ? Cl7 B8 B9 122.29(7) . . ? B3 B8 B9 59.65(6) . . ? B12 B8 B9 60.12(6) . . ? B2 B8 B7 59.85(6) . . ? Cl7 B8 B7 121.97(7) . . ? B3 B8 B7 108.23(8) . . ? B12 B8 B7 59.84(6) . . ? B9 B8 B7 108.04(8) . . ? Cl8 B9 B3 121.18(7) . . ? Cl8 B9 B4 121.29(7) . . ? B3 B9 B4 60.40(6) . . ? Cl8 B9 B8 122.01(7) . . ? B3 B9 B8 59.92(6) . . ? B4 B9 B8 108.05(8) . . ? Cl8 B9 B12 122.51(8) . . ? B3 B9 B12 107.86(8) . . ? B4 B9 B12 107.60(8) . . ? B8 B9 B12 59.90(6) . . ? Cl8 B9 B10 121.88(7) . . ? B3 B9 B10 108.10(8) . . ? B4 B9 B10 59.64(7) . . ? B8 B9 B10 107.93(8) . . ? B12 B9 B10 59.94(6) . . ? Cl9 B10 B5 121.46(8) . . ? Cl9 B10 B4 121.40(8) . . ? B5 B10 B4 60.36(7) . . ? Cl9 B10 B11 121.71(8) . . ? B5 B10 B11 59.69(7) . . ? B4 B10 B11 108.14(8) . . ? Cl9 B10 B12 122.43(8) . . ? B5 B10 B12 107.53(8) . . ? B4 B10 B12 107.67(8) . . ? B11 B10 B12 60.00(6) . . ? Cl9 B10 B9 121.98(8) . . ? B5 B10 B9 107.90(8) . . ? B4 B10 B9 59.70(7) . . ? B11 B10 B9 108.10(8) . . ? B12 B10 B9 59.97(6) . . ? Cl10 B11 B5 121.37(8) . . ? Cl10 B11 B6 121.90(8) . . ? B5 B11 B6 60.10(7) . . ? Cl10 B11 B12 122.55(8) . . ? B5 B11 B12 107.53(8) . . ? B6 B11 B12 107.17(8) . . ? Cl10 B11 B10 121.77(8) . . ? B5 B11 B10 59.69(7) . . ? B6 B11 B10 107.59(8) . . ? B12 B11 B10 60.00(6) . . ? Cl10 B11 B7 122.25(8) . . ? B5 B11 B7 107.76(8) . . ? B6 B11 B7 59.57(7) . . ? B12 B11 B7 59.74(6) . . ? B10 B11 B7 107.81(8) . . ? Cl11 B12 B7 121.79(8) . . ? Cl11 B12 B8 121.87(7) . . ? B7 B12 B8 60.15(6) . . ? Cl11 B12 B11 121.42(7) . . ? B7 B12 B11 60.18(6) . . ? B8 B12 B11 108.31(8) . . ? Cl11 B12 B10 121.38(8) . . ? B7 B12 B10 108.15(8) . . ? B8 B12 B10 108.10(8) . . ? B11 B12 B10 60.00(7) . . ? Cl11 B12 B9 121.59(7) . . ? B7 B12 B9 108.17(8) . . ? B8 B12 B9 59.98(6) . . ? B11 B12 B9 108.19(8) . . ? B10 B12 B9 60.08(6) . . ? C3' Si1' C2' 117.19(6) . . ? C3' Si1' C1' 115.76(6) . . ? C2' Si1' C1' 116.95(6) . . ? C4' Si2' C6' 116.68(7) . . ? C4' Si2' C5' 116.56(7) . . ? C6' Si2' C5' 116.83(7) . . ? 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 B6 C1 B2 Cl1 -108.94(9) . . . . ? B4 C1 B2 Cl1 144.85(8) . . . . ? B3 C1 B2 Cl1 108.12(9) . . . . ? B5 C1 B2 Cl1 -145.23(8) . . . . ? B6 C1 B2 B8 102.80(8) . . . . ? B4 C1 B2 B8 -3.41(11) . . . . ? B3 C1 B2 B8 -40.14(7) . . . . ? B5 C1 B2 B8 66.50(10) . . . . ? B6 C1 B2 B7 39.87(7) . . . . ? B4 C1 B2 B7 -66.34(10) . . . . ? B3 C1 B2 B7 -103.06(8) . . . . ? B5 C1 B2 B7 3.58(11) . . . . ? B4 C1 B2 B6 -106.21(9) . . . . ? B3 C1 B2 B6 -142.94(8) . . . . ? B5 C1 B2 B6 -36.29(8) . . . . ? B6 C1 B2 B3 142.94(8) . . . . ? B4 C1 B2 B3 36.73(8) . . . . ? B5 C1 B2 B3 106.65(9) . . . . ? B6 C1 B3 Cl2 -144.63(8) . . . . ? B4 C1 B3 Cl2 109.11(9) . . . . ? B2 C1 B3 Cl2 -108.51(9) . . . . ? B5 C1 B3 Cl2 145.49(8) . . . . ? B6 C1 B3 B9 66.24(10) . . . . ? B4 C1 B3 B9 -40.02(7) . . . . ? B2 C1 B3 B9 102.36(8) . . . . ? B5 C1 B3 B9 -3.64(11) . . . . ? B6 C1 B3 B8 3.66(11) . . . . ? B4 C1 B3 B8 -102.61(8) . . . . ? B2 C1 B3 B8 39.77(7) . . . . ? B5 C1 B3 B8 -66.23(10) . . . . ? B6 C1 B3 B2 -36.12(8) . . . . ? B4 C1 B3 B2 -142.38(8) . . . . ? B5 C1 B3 B2 -106.00(9) . . . . ? B6 C1 B3 B4 106.26(9) . . . . ? B2 C1 B3 B4 142.38(8) . . . . ? B5 C1 B3 B4 36.38(8) . . . . ? Cl1 B2 B3 C1 -110.61(9) . . . . ? B8 B2 B3 C1 134.00(8) . . . . ? B7 B2 B3 C1 96.27(8) . . . . ? B6 B2 B3 C1 32.80(7) . . . . ? C1 B2 B3 Cl2 111.40(9) . . . . ? Cl1 B2 B3 Cl2 0.79(12) . . . . ? B8 B2 B3 Cl2 -114.60(9) . . . . ? B7 B2 B3 Cl2 -152.34(8) . . . . ? B6 B2 B3 Cl2 144.20(8) . . . . ? C1 B2 B3 B9 -96.27(8) . . . . ? Cl1 B2 B3 B9 153.12(7) . . . . ? B8 B2 B3 B9 37.73(7) . . . . ? B7 B2 B3 B9 0.00(10) . . . . ? B6 B2 B3 B9 -63.47(10) . . . . ? C1 B2 B3 B8 -134.00(8) . . . . ? Cl1 B2 B3 B8 115.39(9) . . . . ? B7 B2 B3 B8 -37.73(7) . . . . ? B6 B2 B3 B8 -101.20(9) . . . . ? C1 B2 B3 B4 -33.11(7) . . . . ? Cl1 B2 B3 B4 -143.72(8) . . . . ? B8 B2 B3 B4 100.89(9) . . . . ? B7 B2 B3 B4 63.16(10) . . . . ? B6 B2 B3 B4 -0.31(11) . . . . ? B6 C1 B4 Cl3 145.29(8) . . . . ? B2 C1 B4 Cl3 -144.96(8) . . . . ? B3 C1 B4 Cl3 -108.25(9) . . . . ? B5 C1 B4 Cl3 108.97(9) . . . . ? B6 C1 B4 B10 -3.57(11) . . . . ? B2 C1 B4 B10 66.19(10) . . . . ? B3 C1 B4 B10 102.90(8) . . . . ? B5 C1 B4 B10 -39.88(8) . . . . ? B6 C1 B4 B9 -66.46(10) . . . . ? B2 C1 B4 B9 3.29(11) . . . . ? B3 C1 B4 B9 40.00(7) . . . . ? B5 C1 B4 B9 -102.78(9) . . . . ? B6 C1 B4 B5 36.31(8) . . . . ? B2 C1 B4 B5 106.07(9) . . . . ? B3 C1 B4 B5 142.78(8) . . . . ? B6 C1 B4 B3 -106.47(9) . . . . ? B2 C1 B4 B3 -36.71(8) . . . . ? B5 C1 B4 B3 -142.78(8) . . . . ? Cl2 B3 B4 C1 -111.17(9) . . . . ? B9 B3 B4 C1 133.91(8) . . . . ? B8 B3 B4 C1 96.01(8) . . . . ? B2 B3 B4 C1 33.12(8) . . . . ? C1 B3 B4 Cl3 110.98(9) . . . . ? Cl2 B3 B4 Cl3 -0.19(13) . . . . ? B9 B3 B4 Cl3 -115.11(10) . . . . ? B8 B3 B4 Cl3 -153.01(8) . . . . ? B2 B3 B4 Cl3 144.10(8) . . . . ? C1 B3 B4 B10 -96.24(9) . . . . ? Cl2 B3 B4 B10 152.58(8) . . . . ? B9 B3 B4 B10 37.67(8) . . . . ? B8 B3 B4 B10 -0.23(11) . . . . ? B2 B3 B4 B10 -63.12(10) . . . . ? C1 B3 B4 B9 -133.91(8) . . . . ? Cl2 B3 B4 B9 114.92(9) . . . . ? B8 B3 B4 B9 -37.90(8) . . . . ? B2 B3 B4 B9 -100.78(9) . . . . ? C1 B3 B4 B5 -32.92(8) . . . . ? Cl2 B3 B4 B5 -144.10(8) . . . . ? B9 B3 B4 B5 100.98(9) . . . . ? B8 B3 B4 B5 63.08(10) . . . . ? B2 B3 B4 B5 0.20(11) . . . . ? B6 C1 B5 Cl4 107.75(10) . . . . ? B4 C1 B5 Cl4 -109.55(10) . . . . ? B2 C1 B5 Cl4 144.03(8) . . . . ? B3 C1 B5 Cl4 -145.96(8) . . . . ? B6 C1 B5 B10 -102.81(9) . . . . ? B4 C1 B5 B10 39.89(8) . . . . ? B2 C1 B5 B10 -66.53(11) . . . . ? B3 C1 B5 B10 3.48(11) . . . . ? B6 C1 B5 B11 -39.91(8) . . . . ? B4 C1 B5 B11 102.79(9) . . . . ? B2 C1 B5 B11 -3.62(11) . . . . ? B3 C1 B5 B11 66.38(11) . . . . ? B4 C1 B5 B6 142.70(8) . . . . ? B2 C1 B5 B6 36.28(8) . . . . ? B3 C1 B5 B6 106.29(9) . . . . ? B6 C1 B5 B4 -142.70(8) . . . . ? B2 C1 B5 B4 -106.42(9) . . . . ? B3 C1 B5 B4 -36.41(8) . . . . ? Cl3 B4 B5 C1 -110.75(9) . . . . ? B10 B4 B5 C1 134.12(8) . . . . ? B9 B4 B5 C1 96.15(9) . . . . ? B3 B4 B5 C1 32.91(8) . . . . ? C1 B4 B5 Cl4 110.06(9) . . . . ? Cl3 B4 B5 Cl4 -0.70(13) . . . . ? B10 B4 B5 Cl4 -115.82(9) . . . . ? B9 B4 B5 Cl4 -153.79(8) . . . . ? B3 B4 B5 Cl4 142.96(8) . . . . ? C1 B4 B5 B10 -134.12(8) . . . . ? Cl3 B4 B5 B10 115.13(9) . . . . ? B9 B4 B5 B10 -37.96(8) . . . . ? B3 B4 B5 B10 -101.21(9) . . . . ? C1 B4 B5 B11 -96.51(9) . . . . ? Cl3 B4 B5 B11 152.74(8) . . . . ? B10 B4 B5 B11 37.61(8) . . . . ? B9 B4 B5 B11 -0.36(11) . . . . ? B3 B4 B5 B11 -63.60(10) . . . . ? C1 B4 B5 B6 -32.92(8) . . . . ? Cl3 B4 B5 B6 -143.67(8) . . . . ? B10 B4 B5 B6 101.20(9) . . . . ? B9 B4 B5 B6 63.23(10) . . . . ? B3 B4 B5 B6 -0.01(11) . . . . ? B4 C1 B6 Cl5 -145.61(8) . . . . ? B2 C1 B6 Cl5 108.11(9) . . . . ? B3 C1 B6 Cl5 144.31(8) . . . . ? B5 C1 B6 Cl5 -109.23(9) . . . . ? B4 C1 B6 B7 66.32(10) . . . . ? B2 C1 B6 B7 -39.97(7) . . . . ? B3 C1 B6 B7 -3.77(11) . . . . ? B5 C1 B6 B7 102.70(9) . . . . ? B4 C1 B6 B2 106.29(9) . . . . ? B3 C1 B6 B2 36.20(8) . . . . ? B5 C1 B6 B2 142.66(8) . . . . ? B4 C1 B6 B11 3.39(11) . . . . ? B2 C1 B6 B11 -102.89(8) . . . . ? B3 C1 B6 B11 -66.69(10) . . . . ? B5 C1 B6 B11 39.77(7) . . . . ? B4 C1 B6 B5 -36.38(8) . . . . ? B2 C1 B6 B5 -142.66(8) . . . . ? B3 C1 B6 B5 -106.46(9) . . . . ? Cl1 B2 B6 C1 110.33(9) . . . . ? B8 B2 B6 C1 -96.42(9) . . . . ? B7 B2 B6 C1 -134.22(8) . . . . ? B3 B2 B6 C1 -32.80(7) . . . . ? C1 B2 B6 Cl5 -110.22(9) . . . . ? Cl1 B2 B6 Cl5 0.11(13) . . . . ? B8 B2 B6 Cl5 153.36(8) . . . . ? B7 B2 B6 Cl5 115.56(9) . . . . ? B3 B2 B6 Cl5 -143.01(8) . . . . ? C1 B2 B6 B7 134.22(8) . . . . ? Cl1 B2 B6 B7 -115.45(9) . . . . ? B8 B2 B6 B7 37.80(8) . . . . ? B3 B2 B6 B7 101.42(9) . . . . ? C1 B2 B6 B11 96.48(9) . . . . ? Cl1 B2 B6 B11 -153.19(8) . . . . ? B8 B2 B6 B11 0.06(11) . . . . ? B7 B2 B6 B11 -37.73(8) . . . . ? B3 B2 B6 B11 63.69(10) . . . . ? C1 B2 B6 B5 33.10(8) . . . . ? Cl1 B2 B6 B5 143.43(8) . . . . ? B8 B2 B6 B5 -63.32(10) . . . . ? B7 B2 B6 B5 -101.12(9) . . . . ? B3 B2 B6 B5 0.30(11) . . . . ? Cl4 B5 B6 C1 -110.71(9) . . . . ? B10 B5 B6 C1 96.21(9) . . . . ? B11 B5 B6 C1 134.33(8) . . . . ? B4 B5 B6 C1 32.90(8) . . . . ? C1 B5 B6 Cl5 109.85(9) . . . . ? Cl4 B5 B6 Cl5 -0.86(13) . . . . ? B10 B5 B6 Cl5 -153.94(8) . . . . ? B11 B5 B6 Cl5 -115.82(9) . . . . ? B4 B5 B6 Cl5 142.75(8) . . . . ? C1 B5 B6 B7 -96.64(8) . . . . ? Cl4 B5 B6 B7 152.65(8) . . . . ? B10 B5 B6 B7 -0.44(11) . . . . ? B11 B5 B6 B7 37.69(8) . . . . ? B4 B5 B6 B7 -63.74(10) . . . . ? C1 B5 B6 B2 -33.08(8) . . . . ? Cl4 B5 B6 B2 -143.79(8) . . . . ? B10 B5 B6 B2 63.12(10) . . . . ? B11 B5 B6 B2 101.25(9) . . . . ? B4 B5 B6 B2 -0.18(11) . . . . ? C1 B5 B6 B11 -134.33(8) . . . . ? Cl4 B5 B6 B11 114.96(9) . . . . ? B10 B5 B6 B11 -38.12(8) . . . . ? B4 B5 B6 B11 -101.43(9) . . . . ? C1 B6 B7 Cl6 150.22(8) . . . . ? Cl5 B6 B7 Cl6 3.81(13) . . . . ? B2 B6 B7 Cl6 110.87(9) . . . . ? B11 B6 B7 Cl6 -110.90(9) . . . . ? B5 B6 B7 Cl6 -148.25(8) . . . . ? C1 B6 B7 B2 39.35(7) . . . . ? Cl5 B6 B7 B2 -107.06(10) . . . . ? B11 B6 B7 B2 138.23(8) . . . . ? B5 B6 B7 B2 100.88(9) . . . . ? C1 B6 B7 B12 -61.09(10) . . . . ? Cl5 B6 B7 B12 152.50(8) . . . . ? B2 B6 B7 B12 -100.44(8) . . . . ? B11 B6 B7 B12 37.79(8) . . . . ? B5 B6 B7 B12 0.44(11) . . . . ? C1 B6 B7 B8 2.22(10) . . . . ? Cl5 B6 B7 B8 -144.19(8) . . . . ? B2 B6 B7 B8 -37.13(7) . . . . ? B11 B6 B7 B8 101.10(8) . . . . ? B5 B6 B7 B8 63.75(10) . . . . ? C1 B6 B7 B11 -98.88(8) . . . . ? Cl5 B6 B7 B11 114.72(10) . . . . ? B2 B6 B7 B11 -138.23(8) . . . . ? B5 B6 B7 B11 -37.35(8) . . . . ? C1 B2 B7 Cl6 -149.42(8) . . . . ? Cl1 B2 B7 Cl6 -2.15(13) . . . . ? B8 B2 B7 Cl6 111.71(9) . . . . ? B6 B2 B7 Cl6 -110.15(9) . . . . ? B3 B2 B7 Cl6 149.20(8) . . . . ? C1 B2 B7 B6 -39.27(7) . . . . ? Cl1 B2 B7 B6 108.00(10) . . . . ? B8 B2 B7 B6 -138.14(8) . . . . ? B3 B2 B7 B6 -100.64(8) . . . . ? C1 B2 B7 B12 61.42(10) . . . . ? Cl1 B2 B7 B12 -151.31(8) . . . . ? B8 B2 B7 B12 -37.45(7) . . . . ? B6 B2 B7 B12 100.69(9) . . . . ? B3 B2 B7 B12 0.04(10) . . . . ? C1 B2 B7 B8 98.87(8) . . . . ? Cl1 B2 B7 B8 -113.87(9) . . . . ? B6 B2 B7 B8 138.14(8) . . . . ? B3 B2 B7 B8 37.49(7) . . . . ? C1 B2 B7 B11 -2.00(10) . . . . ? Cl1 B2 B7 B11 145.26(8) . . . . ? B8 B2 B7 B11 -100.87(8) . . . . ? B6 B2 B7 B11 37.27(8) . . . . ? B3 B2 B7 B11 -63.38(10) . . . . ? C1 B2 B8 Cl7 149.60(7) . . . . ? Cl1 B2 B8 Cl7 2.78(13) . . . . ? B7 B2 B8 Cl7 -111.56(9) . . . . ? B6 B2 B8 Cl7 -149.03(8) . . . . ? B3 B2 B8 Cl7 110.16(9) . . . . ? C1 B2 B8 B3 39.44(7) . . . . ? Cl1 B2 B8 B3 -107.38(10) . . . . ? B7 B2 B8 B3 138.27(8) . . . . ? B6 B2 B8 B3 100.80(9) . . . . ? C1 B2 B8 B12 -61.43(10) . . . . ? Cl1 B2 B8 B12 151.75(8) . . . . ? B7 B2 B8 B12 37.41(7) . . . . ? B6 B2 B8 B12 -0.06(10) . . . . ? B3 B2 B8 B12 -100.87(8) . . . . ? C1 B2 B8 B9 2.04(10) . . . . ? Cl1 B2 B8 B9 -144.78(8) . . . . ? B7 B2 B8 B9 100.88(8) . . . . ? B6 B2 B8 B9 63.41(10) . . . . ? B3 B2 B8 B9 -37.40(7) . . . . ? C1 B2 B8 B7 -98.84(8) . . . . ? Cl1 B2 B8 B7 114.34(10) . . . . ? B6 B2 B8 B7 -37.47(8) . . . . ? B3 B2 B8 B7 -138.27(8) . . . . ? C1 B3 B8 B2 -39.28(7) . . . . ? Cl2 B3 B8 B2 108.05(10) . . . . ? B9 B3 B8 B2 -137.95(8) . . . . ? B4 B3 B8 B2 -100.32(9) . . . . ? C1 B3 B8 Cl7 -149.44(7) . . . . ? Cl2 B3 B8 Cl7 -2.11(13) . . . . ? B9 B3 B8 Cl7 111.88(9) . . . . ? B2 B3 B8 Cl7 -110.16(9) . . . . ? B4 B3 B8 Cl7 149.52(8) . . . . ? C1 B3 B8 B12 61.29(9) . . . . ? Cl2 B3 B8 B12 -151.37(8) . . . . ? B9 B3 B8 B12 -37.38(7) . . . . ? B2 B3 B8 B12 100.57(8) . . . . ? B4 B3 B8 B12 0.25(10) . . . . ? C1 B3 B8 B9 98.68(8) . . . . ? Cl2 B3 B8 B9 -113.99(10) . . . . ? B2 B3 B8 B9 137.95(8) . . . . ? B4 B3 B8 B9 37.63(8) . . . . ? C1 B3 B8 B7 -1.98(10) . . . . ? Cl2 B3 B8 B7 145.35(8) . . . . ? B9 B3 B8 B7 -100.66(8) . . . . ? B2 B3 B8 B7 37.30(7) . . . . ? B4 B3 B8 B7 -63.02(10) . . . . ? Cl6 B7 B8 B2 -110.04(9) . . . . ? B6 B7 B8 B2 37.38(7) . . . . ? B12 B7 B8 B2 137.97(8) . . . . ? B11 B7 B8 B2 100.61(9) . . . . ? Cl6 B7 B8 Cl7 -0.63(13) . . . . ? B6 B7 B8 Cl7 146.80(8) . . . . ? B2 B7 B8 Cl7 109.41(9) . . . . ? B12 B7 B8 Cl7 -112.62(9) . . . . ? B11 B7 B8 Cl7 -149.98(8) . . . . ? Cl6 B7 B8 B3 -147.57(8) . . . . ? B6 B7 B8 B3 -0.14(10) . . . . ? B2 B7 B8 B3 -37.53(7) . . . . ? B12 B7 B8 B3 100.44(8) . . . . ? B11 B7 B8 B3 63.08(10) . . . . ? Cl6 B7 B8 B12 111.99(9) . . . . ? B6 B7 B8 B12 -100.59(9) . . . . ? B2 B7 B8 B12 -137.97(8) . . . . ? B11 B7 B8 B12 -37.36(8) . . . . ? Cl6 B7 B8 B9 149.32(8) . . . . ? B6 B7 B8 B9 -63.26(10) . . . . ? B2 B7 B8 B9 -100.64(8) . . . . ? B12 B7 B8 B9 37.33(8) . . . . ? B11 B7 B8 B9 -0.04(11) . . . . ? C1 B3 B9 Cl8 150.12(8) . . . . ? Cl2 B3 B9 Cl8 2.05(13) . . . . ? B8 B3 B9 Cl8 -111.44(9) . . . . ? B2 B3 B9 Cl8 -148.78(8) . . . . ? B4 B3 B9 Cl8 110.76(9) . . . . ? C1 B3 B9 B4 39.37(7) . . . . ? Cl2 B3 B9 B4 -108.71(10) . . . . ? B8 B3 B9 B4 137.80(8) . . . . ? B2 B3 B9 B4 100.46(9) . . . . ? C1 B3 B9 B8 -98.44(8) . . . . ? Cl2 B3 B9 B8 113.49(10) . . . . ? B2 B3 B9 B8 -37.34(7) . . . . ? B4 B3 B9 B8 -137.80(8) . . . . ? C1 B3 B9 B12 -61.14(9) . . . . ? Cl2 B3 B9 B12 150.79(8) . . . . ? B8 B3 B9 B12 37.30(7) . . . . ? B2 B3 B9 B12 -0.04(10) . . . . ? B4 B3 B9 B12 -100.50(9) . . . . ? C1 B3 B9 B10 2.23(10) . . . . ? Cl2 B3 B9 B10 -145.85(8) . . . . ? B8 B3 B9 B10 100.66(8) . . . . ? B2 B3 B9 B10 63.32(10) . . . . ? B4 B3 B9 B10 -37.14(8) . . . . ? C1 B4 B9 Cl8 -150.02(8) . . . . ? Cl3 B4 B9 Cl8 -3.03(13) . . . . ? B10 B4 B9 Cl8 111.11(9) . . . . ? B5 B4 B9 Cl8 148.69(8) . . . . ? B3 B4 B9 Cl8 -110.58(9) . . . . ? C1 B4 B9 B3 -39.44(7) . . . . ? Cl3 B4 B9 B3 107.55(10) . . . . ? B10 B4 B9 B3 -138.31(8) . . . . ? B5 B4 B9 B3 -100.73(9) . . . . ? C1 B4 B9 B8 -1.76(10) . . . . ? Cl3 B4 B9 B8 145.23(8) . . . . ? B10 B4 B9 B8 -100.63(8) . . . . ? B5 B4 B9 B8 -63.05(10) . . . . ? B3 B4 B9 B8 37.68(8) . . . . ? C1 B4 B9 B12 61.50(10) . . . . ? Cl3 B4 B9 B12 -151.51(8) . . . . ? B10 B4 B9 B12 -37.37(8) . . . . ? B5 B4 B9 B12 0.21(11) . . . . ? B3 B4 B9 B12 100.94(8) . . . . ? C1 B4 B9 B10 98.87(9) . . . . ? Cl3 B4 B9 B10 -114.14(10) . . . . ? B5 B4 B9 B10 37.58(8) . . . . ? B3 B4 B9 B10 138.31(8) . . . . ? B2 B8 B9 Cl8 147.80(8) . . . . ? Cl7 B8 B9 Cl8 0.89(13) . . . . ? B3 B8 B9 Cl8 110.08(9) . . . . ? B12 B8 B9 Cl8 -111.73(9) . . . . ? B7 B8 B9 Cl8 -148.93(8) . . . . ? B2 B8 B9 B3 37.72(7) . . . . ? Cl7 B8 B9 B3 -109.19(9) . . . . ? B12 B8 B9 B3 138.19(8) . . . . ? B7 B8 B9 B3 100.98(8) . . . . ? B2 B8 B9 B4 -0.18(10) . . . . ? Cl7 B8 B9 B4 -147.09(8) . . . . ? B3 B8 B9 B4 -37.90(8) . . . . ? B12 B8 B9 B4 100.29(9) . . . . ? B7 B8 B9 B4 63.08(10) . . . . ? B2 B8 B9 B12 -100.47(8) . . . . ? Cl7 B8 B9 B12 112.62(9) . . . . ? B3 B8 B9 B12 -138.19(8) . . . . ? B7 B8 B9 B12 -37.21(8) . . . . ? B2 B8 B9 B10 -63.23(10) . . . . ? Cl7 B8 B9 B10 149.86(8) . . . . ? B3 B8 B9 B10 -100.95(9) . . . . ? B12 B8 B9 B10 37.25(8) . . . . ? B7 B8 B9 B10 0.04(11) . . . . ? C1 B5 B10 Cl9 -150.02(8) . . . . ? Cl4 B5 B10 Cl9 -2.30(15) . . . . ? B11 B5 B10 Cl9 110.86(9) . . . . ? B6 B5 B10 Cl9 148.74(8) . . . . ? B4 B5 B10 Cl9 -110.77(9) . . . . ? C1 B5 B10 B4 -39.25(7) . . . . ? Cl4 B5 B10 B4 108.47(11) . . . . ? B11 B5 B10 B4 -138.37(8) . . . . ? B6 B5 B10 B4 -100.49(9) . . . . ? C1 B5 B10 B11 99.12(9) . . . . ? Cl4 B5 B10 B11 -113.16(10) . . . . ? B6 B5 B10 B11 37.88(8) . . . . ? B4 B5 B10 B11 138.37(8) . . . . ? C1 B5 B10 B12 61.49(10) . . . . ? Cl4 B5 B10 B12 -150.79(9) . . . . ? B11 B5 B10 B12 -37.63(8) . . . . ? B6 B5 B10 B12 0.26(11) . . . . ? B4 B5 B10 B12 100.75(9) . . . . ? C1 B5 B10 B9 -1.80(11) . . . . ? Cl4 B5 B10 B9 145.92(9) . . . . ? B11 B5 B10 B9 -100.92(9) . . . . ? B6 B5 B10 B9 -63.03(10) . . . . ? B4 B5 B10 B9 37.45(8) . . . . ? C1 B4 B10 Cl9 150.19(8) . . . . ? Cl3 B4 B10 Cl9 2.64(14) . . . . ? B9 B4 B10 Cl9 -111.22(9) . . . . ? B5 B4 B10 Cl9 110.86(9) . . . . ? B3 B4 B10 Cl9 -148.50(8) . . . . ? C1 B4 B10 B5 39.33(7) . . . . ? Cl3 B4 B10 B5 -108.22(10) . . . . ? B9 B4 B10 B5 137.91(8) . . . . ? B3 B4 B10 B5 100.64(9) . . . . ? C1 B4 B10 B11 2.21(10) . . . . ? Cl3 B4 B10 B11 -145.34(8) . . . . ? B9 B4 B10 B11 100.79(9) . . . . ? B5 B4 B10 B11 -37.12(8) . . . . ? B3 B4 B10 B11 63.52(10) . . . . ? C1 B4 B10 B12 -61.18(10) . . . . ? Cl3 B4 B10 B12 151.27(8) . . . . ? B9 B4 B10 B12 37.40(8) . . . . ? B5 B4 B10 B12 -100.51(9) . . . . ? B3 B4 B10 B12 0.13(11) . . . . ? C1 B4 B10 B9 -98.58(8) . . . . ? Cl3 B4 B10 B9 113.87(10) . . . . ? B5 B4 B10 B9 -137.91(8) . . . . ? B3 B4 B10 B9 -37.27(8) . . . . ? Cl8 B9 B10 Cl9 0.12(13) . . . . ? B3 B9 B10 Cl9 147.75(8) . . . . ? B4 B9 B10 Cl9 110.27(10) . . . . ? B8 B9 B10 Cl9 -148.90(8) . . . . ? B12 B9 B10 Cl9 -111.67(10) . . . . ? Cl8 B9 B10 B5 -147.90(8) . . . . ? B3 B9 B10 B5 -0.28(11) . . . . ? B4 B9 B10 B5 -37.75(8) . . . . ? B8 B9 B10 B5 63.08(10) . . . . ? B12 B9 B10 B5 100.31(9) . . . . ? Cl8 B9 B10 B4 -110.15(9) . . . . ? B3 B9 B10 B4 37.47(8) . . . . ? B8 B9 B10 B4 100.83(9) . . . . ? B12 B9 B10 B4 138.05(8) . . . . ? Cl8 B9 B10 B11 149.00(8) . . . . ? B3 B9 B10 B11 -63.38(10) . . . . ? B4 B9 B10 B11 -100.85(9) . . . . ? B8 B9 B10 B11 -0.03(11) . . . . ? B12 B9 B10 B11 37.20(8) . . . . ? Cl8 B9 B10 B12 111.80(9) . . . . ? B3 B9 B10 B12 -100.58(8) . . . . ? B4 B9 B10 B12 -138.05(8) . . . . ? B8 B9 B10 B12 -37.23(8) . . . . ? C1 B5 B11 Cl10 150.48(8) . . . . ? Cl4 B5 B11 Cl10 4.10(14) . . . . ? B10 B5 B11 Cl10 -110.97(9) . . . . ? B6 B5 B11 Cl10 111.30(9) . . . . ? B4 B5 B11 Cl10 -148.23(8) . . . . ? C1 B5 B11 B6 39.18(7) . . . . ? Cl4 B5 B11 B6 -107.20(10) . . . . ? B10 B5 B11 B6 137.73(8) . . . . ? B4 B5 B11 B6 100.46(9) . . . . ? C1 B5 B11 B12 -60.92(10) . . . . ? Cl4 B5 B11 B12 152.69(8) . . . . ? B10 B5 B11 B12 37.63(8) . . . . ? B6 B5 B11 B12 -100.10(8) . . . . ? B4 B5 B11 B12 0.36(11) . . . . ? C1 B5 B11 B10 -98.55(9) . . . . ? Cl4 B5 B11 B10 115.07(10) . . . . ? B6 B5 B11 B10 -137.73(8) . . . . ? B4 B5 B11 B10 -37.27(8) . . . . ? C1 B5 B11 B7 2.09(11) . . . . ? Cl4 B5 B11 B7 -144.29(8) . . . . ? B10 B5 B11 B7 100.64(9) . . . . ? B6 B5 B11 B7 -37.09(8) . . . . ? B4 B5 B11 B7 63.38(10) . . . . ? C1 B6 B11 Cl10 -149.72(8) . . . . ? Cl5 B6 B11 Cl10 -2.57(14) . . . . ? B7 B6 B11 Cl10 111.31(10) . . . . ? B2 B6 B11 Cl10 148.78(8) . . . . ? B5 B6 B11 Cl10 -110.46(10) . . . . ? C1 B6 B11 B5 -39.27(7) . . . . ? Cl5 B6 B11 B5 107.89(10) . . . . ? B7 B6 B11 B5 -138.24(8) . . . . ? B2 B6 B11 B5 -100.76(9) . . . . ? C1 B6 B11 B12 61.45(10) . . . . ? Cl5 B6 B11 B12 -151.39(8) . . . . ? B7 B6 B11 B12 -37.51(7) . . . . ? B2 B6 B11 B12 -0.04(11) . . . . ? B5 B6 B11 B12 100.72(9) . . . . ? C1 B6 B11 B10 -1.74(10) . . . . ? Cl5 B6 B11 B10 145.42(8) . . . . ? B7 B6 B11 B10 -100.71(8) . . . . ? B2 B6 B11 B10 -63.23(10) . . . . ? B5 B6 B11 B10 37.53(8) . . . . ? C1 B6 B11 B7 98.97(8) . . . . ? Cl5 B6 B11 B7 -113.88(10) . . . . ? B2 B6 B11 B7 37.48(8) . . . . ? B5 B6 B11 B7 138.24(8) . . . . ? Cl9 B10 B11 Cl10 -0.13(13) . . . . ? B5 B10 B11 Cl10 110.32(9) . . . . ? B4 B10 B11 Cl10 147.74(8) . . . . ? B12 B10 B11 Cl10 -111.92(10) . . . . ? B9 B10 B11 Cl10 -149.11(8) . . . . ? Cl9 B10 B11 B5 -110.45(9) . . . . ? B4 B10 B11 B5 37.41(8) . . . . ? B12 B10 B11 B5 137.76(8) . . . . ? B9 B10 B11 B5 100.57(9) . . . . ? Cl9 B10 B11 B6 -148.17(8) . . . . ? B5 B10 B11 B6 -37.71(8) . . . . ? B4 B10 B11 B6 -0.30(11) . . . . ? B12 B10 B11 B6 100.05(8) . . . . ? B9 B10 B11 B6 62.86(10) . . . . ? Cl9 B10 B11 B12 111.79(9) . . . . ? B5 B10 B11 B12 -137.76(8) . . . . ? B4 B10 B11 B12 -100.35(9) . . . . ? B9 B10 B11 B12 -37.19(8) . . . . ? Cl9 B10 B11 B7 148.98(8) . . . . ? B5 B10 B11 B7 -100.57(9) . . . . ? B4 B10 B11 B7 -63.15(10) . . . . ? B12 B10 B11 B7 37.19(8) . . . . ? B9 B10 B11 B7 0.00(11) . . . . ? Cl6 B7 B11 Cl10 -0.74(13) . . . . ? B6 B7 B11 Cl10 -110.73(10) . . . . ? B2 B7 B11 Cl10 -148.11(8) . . . . ? B12 B7 B11 Cl10 111.62(10) . . . . ? B8 B7 B11 Cl10 148.95(8) . . . . ? Cl6 B7 B11 B5 147.32(8) . . . . ? B6 B7 B11 B5 37.32(8) . . . . ? B2 B7 B11 B5 -0.06(11) . . . . ? B12 B7 B11 B5 -100.33(9) . . . . ? B8 B7 B11 B5 -63.00(10) . . . . ? Cl6 B7 B11 B6 109.99(9) . . . . ? B2 B7 B11 B6 -37.38(8) . . . . ? B12 B7 B11 B6 -137.65(8) . . . . ? B8 B7 B11 B6 -100.32(9) . . . . ? Cl6 B7 B11 B12 -112.35(9) . . . . ? B6 B7 B11 B12 137.65(8) . . . . ? B2 B7 B11 B12 100.27(8) . . . . ? B8 B7 B11 B12 37.33(8) . . . . ? Cl6 B7 B11 B10 -149.67(8) . . . . ? B6 B7 B11 B10 100.34(9) . . . . ? B2 B7 B11 B10 62.96(10) . . . . ? B12 B7 B11 B10 -37.31(8) . . . . ? B8 B7 B11 B10 0.02(11) . . . . ? Cl6 B7 B12 Cl11 -0.28(13) . . . . ? B6 B7 B12 Cl11 -148.27(8) . . . . ? B2 B7 B12 Cl11 148.36(8) . . . . ? B8 B7 B12 Cl11 111.13(9) . . . . ? B11 B7 B12 Cl11 -110.59(9) . . . . ? Cl6 B7 B12 B8 -111.40(9) . . . . ? B6 B7 B12 B8 100.61(8) . . . . ? B2 B7 B12 B8 37.23(7) . . . . ? B11 B7 B12 B8 138.28(8) . . . . ? Cl6 B7 B12 B11 110.31(9) . . . . ? B6 B7 B12 B11 -37.68(8) . . . . ? B2 B7 B12 B11 -101.05(9) . . . . ? B8 B7 B12 B11 -138.28(8) . . . . ? Cl6 B7 B12 B10 147.71(8) . . . . ? B6 B7 B12 B10 -0.28(10) . . . . ? B2 B7 B12 B10 -63.66(10) . . . . ? B8 B7 B12 B10 -100.89(8) . . . . ? B11 B7 B12 B10 37.40(8) . . . . ? Cl6 B7 B12 B9 -148.71(8) . . . . ? B6 B7 B12 B9 63.31(10) . . . . ? B2 B7 B12 B9 -0.07(10) . . . . ? B8 B7 B12 B9 -37.30(7) . . . . ? B11 B7 B12 B9 100.98(9) . . . . ? B2 B8 B12 Cl11 -148.41(8) . . . . ? Cl7 B8 B12 Cl11 -0.43(13) . . . . ? B3 B8 B12 Cl11 147.86(8) . . . . ? B9 B8 B12 Cl11 110.68(9) . . . . ? B7 B8 B12 Cl11 -111.00(9) . . . . ? B2 B8 B12 B7 -37.41(7) . . . . ? Cl7 B8 B12 B7 110.57(9) . . . . ? B3 B8 B12 B7 -101.14(8) . . . . ? B9 B8 B12 B7 -138.32(8) . . . . ? B2 B8 B12 B11 0.04(10) . . . . ? Cl7 B8 B12 B11 148.02(8) . . . . ? B3 B8 B12 B11 -63.69(10) . . . . ? B9 B8 B12 B11 -100.87(9) . . . . ? B7 B8 B12 B11 37.45(8) . . . . ? B2 B8 B12 B10 63.56(10) . . . . ? Cl7 B8 B12 B10 -148.46(8) . . . . ? B3 B8 B12 B10 -0.17(11) . . . . ? B9 B8 B12 B10 -37.35(8) . . . . ? B7 B8 B12 B10 100.97(9) . . . . ? B2 B8 B12 B9 100.91(8) . . . . ? Cl7 B8 B12 B9 -111.11(9) . . . . ? B3 B8 B12 B9 37.18(7) . . . . ? B7 B8 B12 B9 138.32(8) . . . . ? Cl10 B11 B12 Cl11 0.05(13) . . . . ? B5 B11 B12 Cl11 -148.09(8) . . . . ? B6 B11 B12 Cl11 148.62(8) . . . . ? B10 B11 B12 Cl11 -110.60(9) . . . . ? B7 B11 B12 Cl11 111.18(9) . . . . ? Cl10 B11 B12 B7 -111.14(10) . . . . ? B5 B11 B12 B7 100.72(9) . . . . ? B6 B11 B12 B7 37.44(8) . . . . ? B10 B11 B12 B7 138.21(8) . . . . ? Cl10 B11 B12 B8 -148.57(8) . . . . ? B5 B11 B12 B8 63.28(10) . . . . ? B6 B11 B12 B8 0.00(11) . . . . ? B10 B11 B12 B8 100.77(9) . . . . ? B7 B11 B12 B8 -37.44(8) . . . . ? Cl10 B11 B12 B10 110.65(10) . . . . ? B5 B11 B12 B10 -37.49(8) . . . . ? B6 B11 B12 B10 -100.78(9) . . . . ? B7 B11 B12 B10 -138.21(8) . . . . ? Cl10 B11 B12 B9 147.91(8) . . . . ? B5 B11 B12 B9 -0.23(10) . . . . ? B6 B11 B12 B9 -63.52(10) . . . . ? B10 B11 B12 B9 37.26(7) . . . . ? B7 B11 B12 B9 -100.95(8) . . . . ? Cl9 B10 B12 Cl11 0.04(13) . . . . ? B5 B10 B12 Cl11 148.16(8) . . . . ? B4 B10 B12 Cl11 -148.19(8) . . . . ? B11 B10 B12 Cl11 110.67(9) . . . . ? B9 B10 B12 Cl11 -110.91(9) . . . . ? Cl9 B10 B12 B7 -148.10(8) . . . . ? B5 B10 B12 B7 0.02(11) . . . . ? B4 B10 B12 B7 63.67(10) . . . . ? B11 B10 B12 B7 -37.47(8) . . . . ? B9 B10 B12 B7 100.95(8) . . . . ? Cl9 B10 B12 B8 148.26(8) . . . . ? B5 B10 B12 B8 -63.63(10) . . . . ? B4 B10 B12 B8 0.03(11) . . . . ? B11 B10 B12 B8 -101.12(9) . . . . ? B9 B10 B12 B8 37.30(8) . . . . ? Cl9 B10 B12 B11 -110.62(10) . . . . ? B5 B10 B12 B11 37.49(8) . . . . ? B4 B10 B12 B11 101.15(9) . . . . ? B9 B10 B12 B11 138.42(8) . . . . ? Cl9 B10 B12 B9 110.95(10) . . . . ? B5 B10 B12 B9 -100.93(9) . . . . ? B4 B10 B12 B9 -37.28(8) . . . . ? B11 B10 B12 B9 -138.42(8) . . . . ? Cl8 B9 B12 Cl11 -0.20(13) . . . . ? B3 B9 B12 Cl11 -148.44(8) . . . . ? B4 B9 B12 Cl11 147.81(8) . . . . ? B8 B9 B12 Cl11 -111.13(9) . . . . ? B10 B9 B12 Cl11 110.57(9) . . . . ? Cl8 B9 B12 B7 148.30(8) . . . . ? B3 B9 B12 B7 0.07(10) . . . . ? B4 B9 B12 B7 -63.69(10) . . . . ? B8 B9 B12 B7 37.37(7) . . . . ? B10 B9 B12 B7 -100.92(9) . . . . ? Cl8 B9 B12 B8 110.93(9) . . . . ? B3 B9 B12 B8 -37.30(7) . . . . ? B4 B9 B12 B8 -101.06(9) . . . . ? B10 B9 B12 B8 -138.30(8) . . . . ? Cl8 B9 B12 B11 -148.00(8) . . . . ? B3 B9 B12 B11 63.77(10) . . . . ? B4 B9 B12 B11 0.01(10) . . . . ? B8 B9 B12 B11 101.07(8) . . . . ? B10 B9 B12 B11 -37.22(8) . . . . ? Cl8 B9 B12 B10 -110.78(9) . . . . ? B3 B9 B12 B10 100.99(9) . . . . ? B4 B9 B12 B10 37.24(8) . . . . ? B8 B9 B12 B10 138.30(8) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A Si1' H1' Si2' 1.600(15) 1.622(15) 3.1732(4) 160.1(11) . _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 36.32 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 0.637 _refine_diff_density_min -0.480 _refine_diff_density_rms 0.084