data_s92 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C31 H43 Cl3 O2 Si Ti2' _chemical_formula_weight 677.89 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' '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' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ti' 'Ti' 0.2776 0.4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/c _symmetry_space_group_name_hall '-P 2ybc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 11.0393(1) _cell_length_b 10.7750(1) _cell_length_c 27.2532(4) _cell_angle_alpha 90.00 _cell_angle_beta 97.6060(10) _cell_angle_gamma 90.00 _cell_volume 3213.20(6) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.14 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.401 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1416 _exptl_absorpt_coefficient_mu 0.811 _exptl_absorpt_correction_type none _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.68750 _diffrn_radiation_type synchrotron _diffrn_radiation_source 'rotating anode generator' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Delft instruments FAST area detector' _diffrn_measurement_method 'Intensity measurements as described by Darr, Drake, Hursthouse & Malik (1993)' _diffrn_standards_number 'None' _diffrn_standards_interval_count 'N/A' _diffrn_standards_interval_time 'N/A' _diffrn_standards_decay_% 'N/A' _diffrn_reflns_number 14183 _diffrn_reflns_av_R_equivalents 0.0702 _diffrn_reflns_av_sigmaI/netI 0.0747 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_theta_min 1.80 _diffrn_reflns_theta_max 22.50 _reflns_number_total 4632 _reflns_number_gt 3148 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'MADNES (Pflugrath & Messerschmidt, 1989)' _computing_cell_refinement REFINE _computing_data_reduction 'ABSURD (Karaulov, 1992)' _computing_structure_solution 'SIR92 (Altomare, Cascarano, Giacovazzo & Guaglitardi, 1993)' _computing_structure_refinement 'SHELXL97 (Sheldrick, 2008)' _computing_publication_material SHELXL97 _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^)+(0.1000P)^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 0 _refine_ls_number_reflns 4632 _refine_ls_number_parameters 370 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0921 _refine_ls_R_factor_gt 0.0534 _refine_ls_wR_factor_ref 0.1534 _refine_ls_wR_factor_gt 0.1310 _refine_ls_goodness_of_fit_ref 0.926 _refine_ls_restrained_S_all 0.926 _refine_ls_shift/su_max 0.023 _refine_ls_shift/su_mean 0.001 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ti1 Ti 1.01203(8) 0.31102(8) 0.13223(3) 0.0255(3) Uani 1 d . . . Ti2 Ti 0.90178(8) 0.62504(8) 0.09890(3) 0.0242(3) Uani 1 d . . . Cl1 Cl 0.94359(13) 0.18850(12) 0.06551(5) 0.0380(4) Uani 1 d . . . Cl2 Cl 1.21628(12) 0.32436(13) 0.12816(6) 0.0401(4) Uani 1 d . . . Cl3 Cl 0.79902(13) 0.62903(13) 0.16834(5) 0.0366(4) Uani 1 d . . . Si1 Si 0.53924(16) 0.98372(15) 0.18018(6) 0.0408(5) Uani 1 d . . . O1 O 0.9622(3) 0.4561(3) 0.11230(12) 0.0264(8) Uani 1 d . . . O2 O 0.5750(4) 0.8873(4) 0.13881(15) 0.0543(12) Uani 1 d . . . C1 C 1.0700(5) 0.2531(6) 0.2159(2) 0.0439(16) Uani 1 d . . . H1 H 1.1514 0.2580 0.2298 0.053 Uiso 1 calc R . . C2 C 1.0121(6) 0.1511(5) 0.1932(2) 0.0412(15) Uani 1 d . . . H2 H 1.0486 0.0745 0.1896 0.049 Uiso 1 calc R . . C3 C 0.8920(6) 0.1795(6) 0.1767(2) 0.0415(15) Uani 1 d . . . H3 H 0.8345 0.1264 0.1598 0.050 Uiso 1 calc R . . C4 C 0.8722(6) 0.3019(6) 0.1897(2) 0.0434(16) Uani 1 d . . . H4 H 0.7986 0.3447 0.1835 0.052 Uiso 1 calc R . . C5 C 0.9819(6) 0.3495(6) 0.2140(2) 0.0460(17) Uani 1 d . . . H5 H 0.9948 0.4294 0.2265 0.055 Uiso 1 calc R . . C6 C 0.9983(6) 0.7975(6) 0.1422(2) 0.0465(17) Uani 1 d . . . H6 H 0.9562 0.8438 0.1632 0.056 Uiso 1 calc R . . C7 C 0.9990(5) 0.8201(5) 0.0917(2) 0.0387(15) Uani 1 d . . . H7 H 0.9576 0.8833 0.0732 0.046 Uiso 1 calc R . . C8 C 1.0745(5) 0.7289(5) 0.0742(2) 0.0407(15) Uani 1 d . . . H8 H 1.0919 0.7209 0.0419 0.049 Uiso 1 calc R . . C9 C 1.1181(5) 0.6530(6) 0.1140(3) 0.0505(18) Uani 1 d . . . H9 H 1.1703 0.5856 0.1129 0.061 Uiso 1 calc R . . C10 C 1.0701(6) 0.6955(6) 0.1555(3) 0.0551(19) Uani 1 d . . . H10 H 1.0841 0.6608 0.1870 0.066 Uiso 1 calc R . . C11 C 0.6862(5) 0.6339(5) 0.05983(18) 0.0272(12) Uani 1 d . . . C12 C 0.7546(5) 0.7198(4) 0.03541(18) 0.0236(12) Uani 1 d . . . C13 C 0.8411(5) 0.6483(5) 0.01278(18) 0.0257(12) Uani 1 d . . . H13 H 0.8975 0.6791 -0.0066 0.031 Uiso 1 calc R . . C14 C 0.8258(5) 0.5228(5) 0.02518(18) 0.0284(13) Uani 1 d . . . H14 H 0.8714 0.4567 0.0156 0.034 Uiso 1 calc R . . C15 C 0.7307(5) 0.5138(4) 0.05426(18) 0.0261(12) Uani 1 d . . . C16 C 0.6665(5) 0.4023(5) 0.0714(2) 0.0340(14) Uani 1 d . . . H16A H 0.7231 0.3557 0.0948 0.041 Uiso 1 calc R . . H16B H 0.6409 0.3489 0.0433 0.041 Uiso 1 calc R . . C17 C 0.5536(5) 0.4386(5) 0.0963(2) 0.0401(15) Uani 1 d . . . H17A H 0.4969 0.3694 0.0937 0.048 Uiso 1 calc R . . H17B H 0.5795 0.4534 0.1312 0.048 Uiso 1 calc R . . C18 C 0.4871(5) 0.5531(5) 0.0740(2) 0.0375(14) Uani 1 d . . . H18A H 0.4156 0.5685 0.0903 0.045 Uiso 1 calc R . . H18B H 0.4599 0.5390 0.0391 0.045 Uiso 1 calc R . . C19 C 0.5722(5) 0.6676(5) 0.0801(2) 0.0298(13) Uani 1 d . . . H19 H 0.589(4) 0.681(4) 0.1113(19) 0.019(13) Uiso 1 d . . . C20 C 0.5180(5) 0.7895(5) 0.0569(2) 0.0363(14) Uani 1 d . . . H20 H 0.421(5) 0.776(5) 0.0536(19) 0.045(16) Uiso 1 d . . . C21 C 0.5691(6) 0.9026(5) 0.0868(2) 0.0416(16) Uani 1 d . . . H21 H 0.508(5) 0.967(5) 0.0771(18) 0.032(14) Uiso 1 d . . . C22 C 0.6958(5) 0.9257(5) 0.0710(2) 0.0352(14) Uani 1 d . . . H22A H 0.7595 0.9005 0.0971 0.042 Uiso 1 calc R . . H22B H 0.7063 1.0131 0.0642 0.042 Uiso 1 calc R . . C23 C 0.7025(5) 0.8477(5) 0.02380(19) 0.0318(13) Uani 1 d . . . C24 C 0.5644(5) 0.8177(5) 0.0076(2) 0.0358(14) Uani 1 d . . . H24A H 0.5219 0.8882 -0.0088 0.043 Uiso 1 calc R . . H24B H 0.5547 0.7465 -0.0143 0.043 Uiso 1 calc R . . C25 C 0.7631(6) 0.9152(5) -0.0157(2) 0.0414(15) Uani 1 d . . . H25A H 0.8479 0.9285 -0.0038 0.062 Uiso 1 calc R . . H25B H 0.7236 0.9937 -0.0228 0.062 Uiso 1 calc R . . H25C H 0.7560 0.8658 -0.0452 0.062 Uiso 1 calc R . . C26 C 0.6582(6) 0.9668(7) 0.2359(3) 0.069(2) Uani 1 d . . . H26A H 0.6648 0.8811 0.2455 0.103 Uiso 1 calc R . . H26B H 0.6349 1.0153 0.2627 0.103 Uiso 1 calc R . . H26C H 0.7356 0.9955 0.2279 0.103 Uiso 1 calc R . . C27 C 0.5358(6) 1.1451(5) 0.1549(3) 0.0527(18) Uani 1 d . . . H27A H 0.6131 1.1638 0.1441 0.079 Uiso 1 calc R . . H27B H 0.5206 1.2027 0.1803 0.079 Uiso 1 calc R . . H27C H 0.4721 1.1517 0.1274 0.079 Uiso 1 calc R . . C28 C 0.3890(7) 0.9394(6) 0.1953(2) 0.0560(18) Uani 1 d . . . C29 C 0.2937(6) 0.9555(6) 0.1498(3) 0.0570(19) Uani 1 d . . . H29A H 0.3111 0.8990 0.1244 0.086 Uiso 1 calc R . . H29B H 0.2964 1.0392 0.1379 0.086 Uiso 1 calc R . . H29C H 0.2139 0.9384 0.1585 0.086 Uiso 1 calc R . . C30 C 0.3901(7) 0.8014(7) 0.2104(3) 0.091(3) Uani 1 d . . . H30A H 0.3191 0.7835 0.2261 0.136 Uiso 1 calc R . . H30B H 0.4624 0.7842 0.2330 0.136 Uiso 1 calc R . . H30C H 0.3894 0.7505 0.1815 0.136 Uiso 1 calc R . . C31 C 0.3533(9) 1.0218(10) 0.2376(3) 0.116(4) Uani 1 d . . . H31A H 0.2784 0.9919 0.2477 0.175 Uiso 1 calc R . . H31B H 0.3423 1.1059 0.2262 0.175 Uiso 1 calc R . . H31C H 0.4169 1.0189 0.2653 0.175 Uiso 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 Ti1 0.0272(5) 0.0246(5) 0.0246(5) 0.0043(4) 0.0028(4) 0.0019(4) Ti2 0.0289(6) 0.0208(5) 0.0220(5) -0.0003(4) 0.0001(4) -0.0014(4) Cl1 0.0493(9) 0.0304(8) 0.0349(8) -0.0052(6) 0.0079(7) -0.0081(7) Cl2 0.0289(8) 0.0409(9) 0.0512(9) 0.0057(7) 0.0077(7) 0.0021(7) Cl3 0.0451(9) 0.0417(8) 0.0228(7) -0.0039(6) 0.0041(6) 0.0035(7) Si1 0.0559(11) 0.0310(9) 0.0376(10) 0.0034(8) 0.0144(8) 0.0046(8) O1 0.029(2) 0.0223(19) 0.027(2) 0.0020(16) -0.0007(16) 0.0010(16) O2 0.095(4) 0.040(2) 0.033(2) 0.011(2) 0.030(2) 0.028(2) C1 0.038(4) 0.063(4) 0.029(3) 0.019(3) -0.002(3) -0.005(3) C2 0.046(4) 0.034(4) 0.044(4) 0.015(3) 0.010(3) 0.008(3) C3 0.047(4) 0.041(4) 0.038(4) 0.007(3) 0.015(3) -0.016(3) C4 0.041(4) 0.061(4) 0.032(3) 0.009(3) 0.019(3) 0.009(3) C5 0.076(5) 0.038(4) 0.026(3) 0.003(3) 0.013(3) 0.003(3) C6 0.060(4) 0.040(4) 0.037(4) -0.016(3) -0.002(3) -0.017(3) C7 0.043(4) 0.026(3) 0.045(4) 0.006(3) 0.002(3) -0.009(3) C8 0.039(4) 0.039(4) 0.045(4) -0.009(3) 0.010(3) -0.017(3) C9 0.031(4) 0.029(4) 0.089(6) 0.008(4) -0.004(4) -0.009(3) C10 0.051(4) 0.058(5) 0.048(4) 0.018(4) -0.023(3) -0.027(4) C11 0.029(3) 0.027(3) 0.024(3) -0.003(2) -0.004(2) 0.000(2) C12 0.031(3) 0.019(3) 0.019(3) 0.004(2) -0.002(2) 0.001(2) C13 0.028(3) 0.030(3) 0.019(3) 0.002(2) 0.004(2) 0.000(2) C14 0.030(3) 0.027(3) 0.028(3) -0.007(2) 0.002(2) 0.009(2) C15 0.029(3) 0.023(3) 0.025(3) 0.001(2) -0.004(2) -0.002(2) C16 0.036(3) 0.026(3) 0.038(3) 0.007(3) -0.005(3) 0.001(3) C17 0.041(4) 0.034(3) 0.044(4) 0.009(3) 0.005(3) -0.012(3) C18 0.027(3) 0.041(4) 0.044(4) 0.006(3) 0.005(3) -0.003(3) C19 0.034(3) 0.031(3) 0.025(3) 0.006(3) 0.004(3) 0.002(3) C20 0.037(4) 0.034(3) 0.038(3) 0.012(3) 0.004(3) 0.005(3) C21 0.060(4) 0.034(4) 0.032(3) 0.006(3) 0.007(3) 0.023(3) C22 0.050(4) 0.024(3) 0.031(3) -0.003(3) 0.004(3) 0.005(3) C23 0.041(3) 0.027(3) 0.028(3) 0.004(2) 0.009(3) 0.005(3) C24 0.047(4) 0.026(3) 0.033(3) 0.007(3) 0.000(3) 0.010(3) C25 0.059(4) 0.027(3) 0.038(3) 0.006(3) 0.010(3) 0.007(3) C26 0.073(5) 0.064(5) 0.065(5) 0.007(4) -0.007(4) 0.009(4) C27 0.059(4) 0.037(4) 0.064(5) 0.008(3) 0.015(4) -0.002(3) C28 0.078(5) 0.046(4) 0.046(4) 0.009(3) 0.017(4) 0.001(4) C29 0.039(4) 0.051(4) 0.081(5) 0.006(4) 0.004(4) -0.006(3) C30 0.074(6) 0.086(6) 0.111(7) 0.053(6) 0.005(5) -0.026(5) C31 0.111(8) 0.169(10) 0.082(7) -0.020(7) 0.061(6) 0.004(7) _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 Ti1 O1 1.721(3) . ? Ti1 Cl2 2.2767(16) . ? Ti1 Cl1 2.2927(16) . ? Ti1 C5 2.333(6) . ? Ti1 C4 2.343(5) . ? Ti1 C1 2.369(5) . ? Ti1 C3 2.378(5) . ? Ti1 C2 2.394(5) . ? Ti2 O1 1.956(3) . ? Ti2 Cl3 2.3320(16) . ? Ti2 C14 2.347(5) . ? Ti2 C13 2.367(5) . ? Ti2 C6 2.376(6) . ? Ti2 C10 2.377(6) . ? Ti2 C7 2.380(5) . ? Ti2 C8 2.383(5) . ? Ti2 C9 2.388(6) . ? Ti2 C15 2.424(5) . ? Ti2 C12 2.436(5) . ? Ti2 C11 2.477(5) . ? Si1 O2 1.620(4) . ? Si1 C28 1.825(7) . ? Si1 C27 1.869(6) . ? Si1 C26 1.881(7) . ? O2 C21 1.420(7) . ? C1 C2 1.376(8) . ? C1 C5 1.418(8) . ? C2 C3 1.377(8) . ? C3 C4 1.391(8) . ? C4 C5 1.398(9) . ? C6 C10 1.376(9) . ? C6 C7 1.398(8) . ? C7 C8 1.412(8) . ? C8 C9 1.392(9) . ? C9 C10 1.389(9) . ? C11 C15 1.399(7) . ? C11 C12 1.415(7) . ? C11 C19 1.484(7) . ? C12 C13 1.429(7) . ? C12 C23 1.511(7) . ? C13 C14 1.410(7) . ? C14 C15 1.400(7) . ? C15 C16 1.501(7) . ? C16 C17 1.546(7) . ? C17 C18 1.521(8) . ? C18 C19 1.546(8) . ? C19 C20 1.543(7) . ? C20 C24 1.530(7) . ? C20 C21 1.532(8) . ? C21 C22 1.537(8) . ? C22 C23 1.546(7) . ? C23 C25 1.525(7) . ? C23 C24 1.564(8) . ? C28 C29 1.527(9) . ? C28 C30 1.543(9) . ? C28 C31 1.547(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 O1 Ti1 Cl2 101.78(12) . . ? O1 Ti1 Cl1 102.41(12) . . ? Cl2 Ti1 Cl1 102.84(6) . . ? O1 Ti1 C5 93.45(19) . . ? Cl2 Ti1 C5 107.61(18) . . ? Cl1 Ti1 C5 141.82(17) . . ? O1 Ti1 C4 92.18(19) . . ? Cl2 Ti1 C4 141.23(17) . . ? Cl1 Ti1 C4 109.22(17) . . ? C5 Ti1 C4 34.8(2) . . ? O1 Ti1 C1 125.3(2) . . ? Cl2 Ti1 C1 85.45(15) . . ? Cl1 Ti1 C1 129.08(17) . . ? C5 Ti1 C1 35.1(2) . . ? C4 Ti1 C1 57.5(2) . . ? O1 Ti1 C3 121.73(19) . . ? Cl2 Ti1 C3 133.20(16) . . ? Cl1 Ti1 C3 85.04(16) . . ? C5 Ti1 C3 57.3(2) . . ? C4 Ti1 C3 34.25(19) . . ? C1 Ti1 C3 56.7(2) . . ? O1 Ti1 C2 147.52(18) . . ? Cl2 Ti1 C2 99.78(15) . . ? Cl1 Ti1 C2 96.09(16) . . ? C5 Ti1 C2 56.7(2) . . ? C4 Ti1 C2 56.3(2) . . ? C1 Ti1 C2 33.6(2) . . ? C3 Ti1 C2 33.5(2) . . ? O1 Ti2 Cl3 93.23(11) . . ? O1 Ti2 C14 78.32(16) . . ? Cl3 Ti2 C14 123.11(14) . . ? O1 Ti2 C13 109.17(16) . . ? Cl3 Ti2 C13 134.31(13) . . ? C14 Ti2 C13 34.79(17) . . ? O1 Ti2 C6 121.03(19) . . ? Cl3 Ti2 C6 79.47(16) . . ? C14 Ti2 C6 151.4(2) . . ? C13 Ti2 C6 117.3(2) . . ? O1 Ti2 C10 87.6(2) . . ? Cl3 Ti2 C10 83.68(19) . . ? C14 Ti2 C10 150.0(2) . . ? C13 Ti2 C10 134.7(2) . . ? C6 Ti2 C10 33.7(2) . . ? O1 Ti2 C7 133.68(18) . . ? Cl3 Ti2 C7 108.89(15) . . ? C14 Ti2 C7 117.25(19) . . ? C13 Ti2 C7 84.03(19) . . ? C6 Ti2 C7 34.2(2) . . ? C10 Ti2 C7 56.6(2) . . ? O1 Ti2 C8 102.92(18) . . ? Cl3 Ti2 C8 135.53(15) . . ? C14 Ti2 C8 100.80(19) . . ? C13 Ti2 C8 78.6(2) . . ? C6 Ti2 C8 56.6(2) . . ? C10 Ti2 C8 56.5(2) . . ? C7 Ti2 C8 34.48(19) . . ? O1 Ti2 C9 77.08(18) . . ? Cl3 Ti2 C9 116.2(2) . . ? C14 Ti2 C9 116.3(2) . . ? C13 Ti2 C9 107.6(2) . . ? C6 Ti2 C9 56.2(2) . . ? C10 Ti2 C9 33.9(2) . . ? C7 Ti2 C9 56.7(2) . . ? C8 Ti2 C9 33.9(2) . . ? O1 Ti2 C15 81.82(15) . . ? Cl3 Ti2 C15 89.20(13) . . ? C14 Ti2 C15 34.08(17) . . ? C13 Ti2 C15 57.01(17) . . ? C6 Ti2 C15 154.7(2) . . ? C10 Ti2 C15 166.9(2) . . ? C7 Ti2 C15 136.48(19) . . ? C8 Ti2 C15 133.6(2) . . ? C9 Ti2 C15 147.5(2) . . ? O1 Ti2 C12 134.55(15) . . ? Cl3 Ti2 C12 102.61(13) . . ? C14 Ti2 C12 57.27(17) . . ? C13 Ti2 C12 34.59(16) . . ? C6 Ti2 C12 103.8(2) . . ? C10 Ti2 C12 135.9(2) . . ? C7 Ti2 C12 80.62(18) . . ? C8 Ti2 C12 94.9(2) . . ? C9 Ti2 C12 128.9(2) . . ? C15 Ti2 C12 56.52(16) . . ? O1 Ti2 C11 113.62(15) . . ? Cl3 Ti2 C11 78.78(12) . . ? C14 Ti2 C11 55.65(17) . . ? C13 Ti2 C11 55.96(17) . . ? C6 Ti2 C11 121.7(2) . . ? C10 Ti2 C11 153.0(2) . . ? C7 Ti2 C11 110.40(19) . . ? C8 Ti2 C11 128.3(2) . . ? C9 Ti2 C11 162.0(2) . . ? C15 Ti2 C11 33.15(16) . . ? C12 Ti2 C11 33.46(16) . . ? O2 Si1 C28 107.6(3) . . ? O2 Si1 C27 109.6(3) . . ? C28 Si1 C27 110.6(3) . . ? O2 Si1 C26 106.9(3) . . ? C28 Si1 C26 110.5(3) . . ? C27 Si1 C26 111.4(3) . . ? Ti1 O1 Ti2 172.2(2) . . ? C21 O2 Si1 129.6(4) . . ? C2 C1 C5 107.0(5) . . ? C2 C1 Ti1 74.2(3) . . ? C5 C1 Ti1 71.0(3) . . ? C1 C2 C3 109.8(5) . . ? C1 C2 Ti1 72.2(3) . . ? C3 C2 Ti1 72.6(3) . . ? C2 C3 C4 107.7(6) . . ? C2 C3 Ti1 73.9(3) . . ? C4 C3 Ti1 71.5(3) . . ? C3 C4 C5 108.2(6) . . ? C3 C4 Ti1 74.2(3) . . ? C5 C4 Ti1 72.2(3) . . ? C4 C5 C1 107.2(5) . . ? C4 C5 Ti1 73.0(3) . . ? C1 C5 Ti1 73.8(3) . . ? C10 C6 C7 108.7(6) . . ? C10 C6 Ti2 73.2(3) . . ? C7 C6 Ti2 73.1(3) . . ? C6 C7 C8 106.9(5) . . ? C6 C7 Ti2 72.8(3) . . ? C8 C7 Ti2 72.9(3) . . ? C9 C8 C7 107.8(6) . . ? C9 C8 Ti2 73.2(3) . . ? C7 C8 Ti2 72.7(3) . . ? C10 C9 C8 108.1(6) . . ? C10 C9 Ti2 72.6(4) . . ? C8 C9 Ti2 72.8(3) . . ? C6 C10 C9 108.5(6) . . ? C6 C10 Ti2 73.2(3) . . ? C9 C10 Ti2 73.5(4) . . ? C15 C11 C12 109.7(5) . . ? C15 C11 C19 126.4(5) . . ? C12 C11 C19 123.1(5) . . ? C15 C11 Ti2 71.3(3) . . ? C12 C11 Ti2 71.7(3) . . ? C19 C11 Ti2 131.5(4) . . ? C11 C12 C13 106.2(4) . . ? C11 C12 C23 118.9(4) . . ? C13 C12 C23 131.2(4) . . ? C11 C12 Ti2 74.9(3) . . ? C13 C12 Ti2 70.1(3) . . ? C23 C12 Ti2 136.9(3) . . ? C14 C13 C12 107.8(4) . . ? C14 C13 Ti2 71.8(3) . . ? C12 C13 Ti2 75.3(3) . . ? C15 C14 C13 109.0(4) . . ? C15 C14 Ti2 76.0(3) . . ? C13 C14 Ti2 73.4(3) . . ? C11 C15 C14 107.3(4) . . ? C11 C15 C16 121.3(5) . . ? C14 C15 C16 130.7(5) . . ? C11 C15 Ti2 75.5(3) . . ? C14 C15 Ti2 69.9(3) . . ? C16 C15 Ti2 127.5(3) . . ? C15 C16 C17 112.0(4) . . ? C18 C17 C16 113.9(4) . . ? C17 C18 C19 110.5(4) . . ? C11 C19 C20 111.0(4) . . ? C11 C19 C18 107.4(4) . . ? C20 C19 C18 116.0(5) . . ? C24 C20 C21 99.6(4) . . ? C24 C20 C19 111.8(5) . . ? C21 C20 C19 111.3(5) . . ? O2 C21 C20 113.8(5) . . ? O2 C21 C22 112.0(5) . . ? C20 C21 C22 105.3(4) . . ? C21 C22 C23 106.9(5) . . ? C12 C23 C25 113.1(4) . . ? C12 C23 C22 112.4(4) . . ? C25 C23 C22 113.7(5) . . ? C12 C23 C24 101.5(4) . . ? C25 C23 C24 113.7(5) . . ? C22 C23 C24 101.2(4) . . ? C20 C24 C23 102.7(4) . . ? C29 C28 C30 107.8(6) . . ? C29 C28 C31 108.9(6) . . ? C30 C28 C31 110.4(7) . . ? C29 C28 Si1 109.6(4) . . ? C30 C28 Si1 109.7(5) . . ? C31 C28 Si1 110.3(6) . . ? _diffrn_measured_fraction_theta_max 0.940 _diffrn_reflns_theta_full 22.50 _diffrn_measured_fraction_theta_full 0.940 _refine_diff_density_max 1.059 _refine_diff_density_min -0.573 _refine_diff_density_rms 0.079