# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_time3btmsals_mach
_database_code_depnum_ccdc_archive 'CCDC 1446324'
_audit_update_record             
;
2016-01-09 deposited with the CCDC.
2016-09-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H68 Si4 Ti2'
_chemical_formula_sum            'C38 H68 Si4 Ti2'
_chemical_formula_weight         733.08
_chemical_compound_source        'synthesized by the authors'

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'
Si Si 0.0817 0.0704 '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   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

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                   11.8817(3)
_cell_length_b                   13.3685(4)
_cell_length_c                   12.8886(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.0810(10)
_cell_angle_gamma                90.00
_cell_volume                     2021.57(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9808
_cell_measurement_theta_min      5
_cell_measurement_theta_max      55

_exptl_crystal_description       prism
_exptl_crystal_colour            green-blue
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.63
_exptl_crystal_size_min          0.46
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.204
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             792
_exptl_absorpt_coefficient_mu    0.538
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  0.7061
_exptl_absorpt_correction_T_max  0.7918
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            33636
_diffrn_reflns_av_R_equivalents  0.0173
_diffrn_reflns_av_sigmaI/netI    0.0104
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.21
_diffrn_reflns_theta_max         27.50
_reflns_number_total             4649
_reflns_number_gt                4264
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0390P)²+1.2331P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4649
_refine_ls_number_parameters     210
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0235
_refine_ls_wR_factor_ref         0.0693
_refine_ls_wR_factor_gt          0.0652
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_restrained_S_all      0.947
_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
Ti1 Ti 0.905591(16) -0.062333(14) 0.567625(15) 0.01136(6) Uani 1 1 d . . .
Si1 Si 0.89670(3) 0.21065(2) 0.59460(3) 0.01643(8) Uani 1 1 d . . .
Si2 Si 1.17494(3) 0.07143(2) 0.71986(2) 0.01606(8) Uani 1 1 d . . .
C1 C 0.84087(10) -0.09884(9) 0.73336(9) 0.0169(2) Uani 1 1 d . . .
C2 C 0.74296(10) -0.06803(9) 0.66305(10) 0.0186(2) Uani 1 1 d . . .
C3 C 0.72208(10) -0.13937(10) 0.58132(9) 0.0197(2) Uani 1 1 d . . .
C4 C 0.80677(10) -0.21485(9) 0.60053(9) 0.0186(2) Uani 1 1 d . . .
C5 C 0.88163(10) -0.18866(9) 0.69404(9) 0.0171(2) Uani 1 1 d . . .
C6 C 0.87571(12) -0.05697(10) 0.84218(10) 0.0271(3) Uani 1 1 d . . .
H6A H 0.8931 0.0144 0.8374 0.041 Uiso 1 1 calc R . .
H6B H 0.9434 -0.0924 0.8771 0.041 Uiso 1 1 calc R . .
H6C H 0.8133 -0.0656 0.8828 0.041 Uiso 1 1 calc R . .
C7 C 0.66139(12) 0.01182(11) 0.68701(12) 0.0316(3) Uani 1 1 d . . .
H7A H 0.6118 0.0313 0.6221 0.047 Uiso 1 1 calc R . .
H7B H 0.7045 0.0702 0.7172 0.047 Uiso 1 1 calc R . .
H7C H 0.6149 -0.0141 0.7374 0.047 Uiso 1 1 calc R . .
C8 C 0.61450(11) -0.14661(14) 0.50283(11) 0.0349(3) Uani 1 1 d . . .
H8A H 0.5598 -0.1899 0.5308 0.052 Uiso 1 1 calc R . .
H8B H 0.6320 -0.1749 0.4370 0.052 Uiso 1 1 calc R . .
H8C H 0.5815 -0.0798 0.4895 0.052 Uiso 1 1 calc R . .
C9 C 0.79965(13) -0.31563(10) 0.54831(11) 0.0305(3) Uani 1 1 d . . .
H9A H 0.7308 -0.3503 0.5619 0.046 Uiso 1 1 calc R . .
H9B H 0.8669 -0.3553 0.5766 0.046 Uiso 1 1 calc R . .
H9C H 0.7966 -0.3071 0.4724 0.046 Uiso 1 1 calc R . .
C10 C 0.97926(11) -0.25016(11) 0.74821(11) 0.0276(3) Uani 1 1 d . . .
H10A H 1.0408 -0.2057 0.7799 0.041 Uiso 1 1 calc R . .
H10B H 1.0072 -0.2940 0.6969 0.041 Uiso 1 1 calc R . .
H10C H 0.9534 -0.2909 0.8032 0.041 Uiso 1 1 calc R . .
C11 C 0.96830(9) 0.09674(8) 0.54784(8) 0.0127(2) Uani 1 1 d . . .
C12 C 1.06650(9) 0.03741(8) 0.60187(8) 0.0126(2) Uani 1 1 d . . .
C13 C 1.08976(9) -0.05889(8) 0.55408(8) 0.0125(2) Uani 1 1 d . . .
H13 H 1.1470 -0.1001 0.5922 0.015 Uiso 1 1 calc R . .
C14 C 0.74263(11) 0.20705(10) 0.53229(11) 0.0254(3) Uani 1 1 d . . .
H14A H 0.7153 0.1378 0.5299 0.038 Uiso 1 1 calc R . .
H14B H 0.7349 0.2338 0.4607 0.038 Uiso 1 1 calc R . .
H14C H 0.6974 0.2477 0.5738 0.038 Uiso 1 1 calc R . .
C15 C 0.90361(12) 0.21320(10) 0.74032(10) 0.0262(3) Uani 1 1 d . . .
H15A H 0.9811 0.2305 0.7736 0.039 Uiso 1 1 calc R . .
H15B H 0.8834 0.1472 0.7648 0.039 Uiso 1 1 calc R . .
H15C H 0.8500 0.2632 0.7591 0.039 Uiso 1 1 calc R . .
C16 C 0.94813(13) 0.33535(10) 0.55481(12) 0.0304(3) Uani 1 1 d . . .
H16A H 0.8976 0.3881 0.5735 0.046 Uiso 1 1 calc R . .
H16B H 0.9479 0.3361 0.4787 0.046 Uiso 1 1 calc R . .
H16C H 1.0258 0.3471 0.5914 0.046 Uiso 1 1 calc R . .
C17 C 1.14311(13) 0.03713(12) 0.85309(10) 0.0313(3) Uani 1 1 d . . .
H17A H 1.2099 0.0512 0.9061 0.047 Uiso 1 1 calc R . .
H17B H 1.1246 -0.0343 0.8545 0.047 Uiso 1 1 calc R . .
H17C H 1.0781 0.0765 0.8684 0.047 Uiso 1 1 calc R . .
C18 C 1.20682(11) 0.20833(10) 0.72277(10) 0.0246(3) Uani 1 1 d . . .
H18A H 1.1364 0.2460 0.7246 0.037 Uiso 1 1 calc R . .
H18B H 1.2387 0.2268 0.6598 0.037 Uiso 1 1 calc R . .
H18C H 1.2620 0.2240 0.7855 0.037 Uiso 1 1 calc R . .
C19 C 1.30969(11) 0.00058(10) 0.71148(11) 0.0273(3) Uani 1 1 d . . .
H19A H 1.3258 0.0031 0.6393 0.041 Uiso 1 1 calc R . .
H19B H 1.3006 -0.0692 0.7319 0.041 Uiso 1 1 calc R . .
H19C H 1.3731 0.0309 0.7590 0.041 Uiso 1 1 calc R . .


_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 C13 2.2229(11) . ?
Ti1 C13 2.2621(11) 3_756 ?
Ti1 C11 2.2809(11) . ?
Ti1 C12 2.2851(10) 3_756 ?
Ti1 C12 2.3155(11) . ?
Ti1 C11 2.3184(10) 3_756 ?
Ti1 C5 2.3946(11) . ?
Ti1 C4 2.4234(12) . ?
Ti1 C1 2.4313(11) . ?
Ti1 C3 2.4428(11) . ?
Ti1 C2 2.4500(11) . ?
Si1 C15 1.8673(13) . ?
Si1 C16 1.8747(14) . ?
Si1 C14 1.8800(13) . ?
Si1 C11 1.8889(11) . ?
Si2 C18 1.8681(13) . ?
Si2 C17 1.8727(14) . ?
Si2 C19 1.8779(14) . ?
Si2 C12 1.8871(11) . ?
C1 C5 1.4179(17) . ?
C1 C2 1.4182(16) . ?
C1 C6 1.5061(17) . ?
C2 C3 1.4136(18) . ?
C2 C7 1.5062(17) . ?
C3 C4 1.4190(17) . ?
C3 C8 1.5028(17) . ?
C4 C5 1.4240(17) . ?
C4 C9 1.5024(17) . ?
C5 C10 1.5011(16) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C13 1.4735(15) 3_756 ?
C11 C12 1.4896(15) . ?
C11 Ti1 2.3184(10) 3_756 ?
C12 C13 1.4720(14) . ?
C12 Ti1 2.2851(10) 3_756 ?
C13 C11 1.4735(15) 3_756 ?
C13 Ti1 2.2621(11) 3_756 ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?

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
C13 Ti1 C13 78.38(4) . 3_756 ?
C13 Ti1 C11 68.22(4) . . ?
C13 Ti1 C11 37.85(4) 3_756 . ?
C13 Ti1 C12 68.21(4) . 3_756 ?
C13 Ti1 C12 37.77(4) 3_756 3_756 ?
C11 Ti1 C12 69.99(4) . 3_756 ?
C13 Ti1 C12 37.78(4) . . ?
C13 Ti1 C12 67.03(4) 3_756 . ?
C11 Ti1 C12 37.81(4) . . ?
C12 Ti1 C12 81.85(4) 3_756 . ?
C13 Ti1 C11 37.79(4) . 3_756 ?
C13 Ti1 C11 66.93(4) 3_756 3_756 ?
C11 Ti1 C11 81.81(4) . 3_756 ?
C12 Ti1 C11 37.75(4) 3_756 3_756 ?
C12 Ti1 C11 68.82(4) . 3_756 ?
C13 Ti1 C5 106.99(4) . . ?
C13 Ti1 C5 174.61(4) 3_756 . ?
C11 Ti1 C5 144.06(4) . . ?
C12 Ti1 C5 143.52(4) 3_756 . ?
C12 Ti1 C5 117.37(4) . . ?
C11 Ti1 C5 117.07(4) 3_756 . ?
C13 Ti1 C4 122.77(4) . . ?
C13 Ti1 C4 142.15(4) 3_756 . ?
C11 Ti1 C4 168.47(4) . . ?
C12 Ti1 C4 115.94(4) 3_756 . ?
C12 Ti1 C4 149.25(4) . . ?
C11 Ti1 C4 108.99(4) 3_756 . ?
C5 Ti1 C4 34.38(4) . . ?
C13 Ti1 C1 121.66(4) . . ?
C13 Ti1 C1 143.01(4) 3_756 . ?
C11 Ti1 C1 116.08(4) . . ?
C12 Ti1 C1 169.40(4) 3_756 . ?
C12 Ti1 C1 108.32(4) . . ?
C11 Ti1 C1 148.23(4) 3_756 . ?
C5 Ti1 C1 34.16(4) . . ?
C4 Ti1 C1 56.51(4) . . ?
C13 Ti1 C3 156.25(4) . . ?
C13 Ti1 C3 118.16(4) 3_756 . ?
C11 Ti1 C3 135.41(4) . . ?
C12 Ti1 C3 113.35(4) 3_756 . ?
C12 Ti1 C3 161.54(4) . . ?
C11 Ti1 C3 129.60(4) 3_756 . ?
C5 Ti1 C3 56.65(4) . . ?
C4 Ti1 C3 33.90(4) . . ?
C1 Ti1 C3 56.10(4) . . ?
C13 Ti1 C2 154.72(4) . . ?
C13 Ti1 C2 118.55(4) 3_756 . ?
C11 Ti1 C2 112.49(4) . . ?
C12 Ti1 C2 136.83(4) 3_756 . ?
C12 Ti1 C2 127.96(4) . . ?
C11 Ti1 C2 163.12(4) 3_756 . ?
C5 Ti1 C2 56.54(4) . . ?
C4 Ti1 C2 56.20(4) . . ?
C1 Ti1 C2 33.78(4) . . ?
C3 Ti1 C2 33.59(4) . . ?
C15 Si1 C16 107.12(7) . . ?
C15 Si1 C14 108.39(6) . . ?
C16 Si1 C14 104.09(7) . . ?
C15 Si1 C11 112.65(5) . . ?
C16 Si1 C11 116.55(6) . . ?
C14 Si1 C11 107.48(5) . . ?
C18 Si2 C17 106.92(7) . . ?
C18 Si2 C19 108.86(6) . . ?
C17 Si2 C19 103.10(7) . . ?
C18 Si2 C12 111.27(6) . . ?
C17 Si2 C12 117.96(6) . . ?
C19 Si2 C12 108.18(5) . . ?
C5 C1 C2 108.03(10) . . ?
C5 C1 C6 126.04(11) . . ?
C2 C1 C6 124.35(11) . . ?
C5 C1 Ti1 71.50(6) . . ?
C2 C1 Ti1 73.83(6) . . ?
C6 C1 Ti1 131.68(8) . . ?
C3 C2 C1 108.06(10) . . ?
C3 C2 C7 126.01(12) . . ?
C1 C2 C7 124.35(12) . . ?
C3 C2 Ti1 72.93(7) . . ?
C1 C2 Ti1 72.39(6) . . ?
C7 C2 Ti1 131.68(8) . . ?
C2 C3 C4 108.27(10) . . ?
C2 C3 C8 125.15(12) . . ?
C4 C3 C8 125.17(13) . . ?
C2 C3 Ti1 73.49(7) . . ?
C4 C3 Ti1 72.30(6) . . ?
C8 C3 Ti1 130.74(8) . . ?
C3 C4 C5 107.68(11) . . ?
C3 C4 C9 124.84(12) . . ?
C5 C4 C9 125.67(12) . . ?
C3 C4 Ti1 73.79(7) . . ?
C5 C4 Ti1 71.70(6) . . ?
C9 C4 Ti1 132.12(8) . . ?
C1 C5 C4 107.93(10) . . ?
C1 C5 C10 125.45(11) . . ?
C4 C5 C10 126.33(12) . . ?
C1 C5 Ti1 74.34(6) . . ?
C4 C5 Ti1 73.92(6) . . ?
C10 C5 Ti1 122.45(8) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C13 C11 C12 117.12(9) 3_756 . ?
C13 C11 Si1 112.96(8) 3_756 . ?
C12 C11 Si1 129.73(8) . . ?
C13 C11 Ti1 70.38(6) 3_756 . ?
C12 C11 Ti1 72.36(6) . . ?
Si1 C11 Ti1 122.99(5) . . ?
C13 C11 Ti1 67.59(6) 3_756 3_756 ?
C12 C11 Ti1 69.91(6) . 3_756 ?
Si1 C11 Ti1 137.23(6) . 3_756 ?
Ti1 C11 Ti1 98.19(4) . 3_756 ?
C13 C12 C11 117.06(9) . . ?
C13 C12 Si2 113.49(8) . . ?
C11 C12 Si2 129.29(8) . . ?
C13 C12 Ti1 70.27(6) . 3_756 ?
C11 C12 Ti1 72.34(6) . 3_756 ?
Si2 C12 Ti1 123.48(5) . 3_756 ?
C13 C12 Ti1 67.70(6) . . ?
C11 C12 Ti1 69.83(6) . . ?
Si2 C12 Ti1 136.93(5) . . ?
Ti1 C12 Ti1 98.15(4) 3_756 . ?
C12 C13 C11 125.52(9) . 3_756 ?
C12 C13 Ti1 74.52(6) . . ?
C11 C13 Ti1 74.62(6) 3_756 . ?
C12 C13 Ti1 71.96(6) . 3_756 ?
C11 C13 Ti1 71.77(6) 3_756 3_756 ?
Ti1 C13 Ti1 101.62(4) . 3_756 ?
C12 C13 H13 117.2 . . ?
C11 C13 H13 117.2 3_756 . ?
Ti1 C13 H13 125.5 . . ?
Ti1 C13 H13 132.8 3_756 . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si2 C17 H17A 109.5 . . ?
Si2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si2 C18 H18A 109.5 . . ?
Si2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si2 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.322
_refine_diff_density_min         -0.265
_refine_diff_density_rms         0.046
#===END
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
