# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_tt301
_database_code_depnum_ccdc_archive 'CCDC 1900263'
loop_
_audit_author_name
_audit_author_address
'Kiyohiko Nakajima'
;Aichi University of Education
Japan
;
_audit_update_record             
;
2019-08-14 deposited with the CCDC.	2019-08-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_formula_moiety         'C22 H34 Si2 Ti'
_chemical_formula_sum            'C22 H34 Si2 Ti'
_chemical_formula_weight         402.57

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.709(5)
_cell_length_b                   10.178(6)
_cell_length_c                   12.212(6)
_cell_angle_alpha                96.05(2)
_cell_angle_beta                 95.99(2)
_cell_angle_gamma                104.28(2)
_cell_volume                     1152.3(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    298
_cell_measurement_reflns_used    9880
_cell_measurement_theta_min      3.10
_cell_measurement_theta_max      27.45

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.160
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.478
_shelx_estimated_absorpt_T_min   0.796
_shelx_estimated_absorpt_T_max   0.910
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.7960
_exptl_absorpt_correction_T_max  0.9104
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_diffrn_ambient_temperature      298
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            11429
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_av_R_equivalents  0.0231
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.094
_diffrn_reflns_theta_max         27.452
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             5222
_reflns_number_gt                4451
_reflns_threshold_expression     'I > 2σ(I)'

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RAPID AUTO (Rigaku)'
_computing_cell_refinement       'RAPID AUTO (Rigaku)'
_computing_data_reduction        'RAPID AUTO (Rigaku)'
_computing_structure_solution    'SHELXS Version 2013/1 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0658P)²+0.3013P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       noref
_refine_ls_number_reflns         5222
_refine_ls_number_parameters     250
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0430
_refine_ls_wR_factor_ref         0.1254
_refine_ls_wR_factor_gt          0.1163
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.078
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ti1 Ti 0.29065(3) 0.20962(3) 0.25041(3) 0.03957(12) Uani 1 1 d . . . . .
Si1 Si 0.65045(6) 0.39337(6) 0.21297(5) 0.05494(16) Uani 1 1 d . . . . .
Si2 Si 0.14912(7) -0.14315(6) 0.29369(5) 0.05697(17) Uani 1 1 d . . . . .
C1 C 0.51351(19) 0.2370(2) 0.23472(15) 0.0429(4) Uani 1 1 d . . . . .
C2 C 0.5452(2) 0.1155(2) 0.24347(17) 0.0490(4) Uani 1 1 d . . . . .
C3 C 0.4322(2) -0.0056(2) 0.26180(18) 0.0516(5) Uani 1 1 d . . . . .
C4 C 0.2970(2) 0.00406(19) 0.26992(16) 0.0452(4) Uani 1 1 d . . . . .
C5 C 0.6939(3) 0.0952(4) 0.2360(3) 0.0740(7) Uani 1 1 d . . . . .
C6 C 0.4781(4) -0.1377(3) 0.2689(4) 0.0908(10) Uani 1 1 d . . . . .
C7 C 0.5808(4) 0.5473(3) 0.2044(4) 0.1043(12) Uani 1 1 d . . . . .
H7 H 0.656899 0.623100 0.193255 0.125 Uiso 1 1 calc R U . . .
H8 H 0.505015 0.528911 0.143273 0.125 Uiso 1 1 calc R U . . .
H9 H 0.544542 0.569306 0.272278 0.125 Uiso 1 1 calc R U . . .
C8 C 0.8016(3) 0.4466(4) 0.3311(3) 0.0901(9) Uani 1 1 d . . . . .
H10 H 0.843295 0.371643 0.340681 0.108 Uiso 1 1 calc R U . . .
H11 H 0.873212 0.523035 0.314960 0.108 Uiso 1 1 calc R U . . .
H12 H 0.765461 0.472457 0.398136 0.108 Uiso 1 1 calc R U . . .
C9 C 0.7238(4) 0.3665(4) 0.0787(3) 0.0926(9) Uani 1 1 d . . . . .
H13 H 0.761908 0.287923 0.077355 0.111 Uiso 1 1 calc R U . . .
H14 H 0.648397 0.352012 0.017710 0.111 Uiso 1 1 calc R U . . .
H15 H 0.798569 0.445839 0.072230 0.111 Uiso 1 1 calc R U . . .
C10 C -0.0275(3) -0.1028(4) 0.2985(4) 0.1126(14) Uani 1 1 d . . . . .
H16 H -0.055284 -0.071122 0.230338 0.135 Uiso 1 1 calc R U . . .
H17 H -0.098446 -0.183594 0.307885 0.135 Uiso 1 1 calc R U . . .
H18 H -0.019656 -0.032756 0.359715 0.135 Uiso 1 1 calc R U . . .
C11 C 0.1893(4) -0.2026(4) 0.4295(3) 0.1081(12) Uani 1 1 d . . . . .
H19 H 0.279726 -0.225393 0.432880 0.130 Uiso 1 1 calc R U . . .
H20 H 0.193853 -0.131041 0.488702 0.130 Uiso 1 1 calc R U . . .
H21 H 0.115062 -0.281878 0.436872 0.130 Uiso 1 1 calc R U . . .
C12 C 0.1120(5) -0.2908(3) 0.1802(3) 0.1083(13) Uani 1 1 d . . . . .
H22 H 0.091179 -0.260478 0.109932 0.130 Uiso 1 1 calc R U . . .
H23 H 0.194507 -0.326741 0.179406 0.130 Uiso 1 1 calc R U . . .
H24 H 0.031156 -0.360907 0.192858 0.130 Uiso 1 1 calc R U . . .
C13 C 0.3797(7) 0.3912(5) 0.3972(4) 0.130(2) Uani 1 1 d . . . . .
H25 H 0.458837 0.461060 0.389579 0.156 Uiso 1 1 calc R U . . .
C14 C 0.3849(5) 0.2791(7) 0.4403(3) 0.1219(19) Uani 1 1 d . . . . .
H26 H 0.467694 0.255882 0.467255 0.146 Uiso 1 1 calc R U . . .
C15 C 0.2473(6) 0.2029(3) 0.4384(2) 0.1039(13) Uani 1 1 d . . . . .
H27 H 0.218929 0.118989 0.464283 0.125 Uiso 1 1 calc R U . . .
C16 C 0.1626(4) 0.2708(5) 0.3930(3) 0.1047(13) Uani 1 1 d . . . . .
H28 H 0.062906 0.242999 0.380838 0.126 Uiso 1 1 calc R U . . .
C17 C 0.2459(8) 0.3891(5) 0.3667(3) 0.1290(19) Uani 1 1 d . . . . .
H29 H 0.213467 0.455928 0.333257 0.155 Uiso 1 1 calc R U . . .
C18 C 0.2885(3) 0.2545(7) 0.0633(3) 0.1184(18) Uani 1 1 d . . . . .
H30 H 0.373034 0.301414 0.040113 0.142 Uiso 1 1 calc R U . . .
C19 C 0.2419(10) 0.1215(7) 0.0603(3) 0.168(3) Uani 1 1 d . . . . .
H31 H 0.289226 0.057846 0.034283 0.201 Uiso 1 1 calc R U . . .
C20 C 0.1270(9) 0.0935(7) 0.0969(5) 0.182(4) Uani 1 1 d . . . . .
H32 H 0.075964 0.004643 0.102184 0.219 Uiso 1 1 calc R U . . .
C21 C 0.0853(4) 0.1983(9) 0.1268(4) 0.141(3) Uani 1 1 d . . . . .
H33 H 0.001224 0.200210 0.156376 0.169 Uiso 1 1 calc R U . . .
C22 C 0.1897(6) 0.3100(4) 0.1066(3) 0.1118(15) Uani 1 1 d . . . . .
H34 H 0.191340 0.402081 0.119916 0.134 Uiso 1 1 calc R U . . .
H1 H 0.686(4) 0.043(4) 0.174(3) 0.108(13) Uiso 1 1 d . . . . .
H2 H 0.722(4) 0.042(4) 0.290(4) 0.128(15) Uiso 1 1 d . . . . .
H3 H 0.766(4) 0.173(4) 0.228(3) 0.113(12) Uiso 1 1 d . . . . .
H4 H 0.515(5) -0.163(4) 0.198(4) 0.127(14) Uiso 1 1 d . . . . .
H5 H 0.405(4) -0.210(4) 0.287(3) 0.105(11) Uiso 1 1 d . . . . .
H6 H 0.553(5) -0.125(4) 0.327(3) 0.120(14) Uiso 1 1 d . . . . .


_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 C1 2.144(2) . ?
Ti1 C4 2.146(2) . ?
Ti1 C20 2.328(4) . ?
Ti1 C21 2.343(3) . ?
Ti1 C17 2.349(3) . ?
Ti1 C19 2.354(4) . ?
Ti1 C13 2.359(3) . ?
Ti1 C16 2.360(3) . ?
Ti1 C22 2.366(3) . ?
Ti1 C14 2.368(3) . ?
Ti1 C18 2.376(3) . ?
Ti1 C15 2.382(3) . ?
Si1 C7 1.862(3) . ?
Si1 C1 1.869(2) . ?
Si1 C9 1.875(3) . ?
Si1 C8 1.879(3) . ?
Si2 C11 1.860(3) . ?
Si2 C10 1.864(4) . ?
Si2 C12 1.871(3) . ?
Si2 C4 1.873(2) . ?
C1 C2 1.357(3) . ?
C2 C3 1.489(3) . ?
C2 C5 1.519(3) . ?
C3 C4 1.353(3) . ?
C3 C6 1.525(3) . ?
C5 H1 0.87(4) . ?
C5 H2 0.95(4) . ?
C5 H3 0.94(4) . ?
C6 H4 1.01(4) . ?
C6 H5 0.95(4) . ?
C6 H6 0.94(4) . ?
C7 H7 0.9600 . ?
C7 H8 0.9600 . ?
C7 H9 0.9600 . ?
C8 H10 0.9600 . ?
C8 H11 0.9600 . ?
C8 H12 0.9600 . ?
C9 H13 0.9600 . ?
C9 H14 0.9600 . ?
C9 H15 0.9600 . ?
C10 H16 0.9600 . ?
C10 H17 0.9600 . ?
C10 H18 0.9600 . ?
C11 H19 0.9600 . ?
C11 H20 0.9600 . ?
C11 H21 0.9600 . ?
C12 H22 0.9600 . ?
C12 H23 0.9600 . ?
C12 H24 0.9600 . ?
C13 C17 1.308(7) . ?
C13 C14 1.315(7) . ?
C13 H25 0.9300 . ?
C14 C15 1.366(6) . ?
C14 H26 0.9300 . ?
C15 C16 1.314(6) . ?
C15 H27 0.9300 . ?
C16 C17 1.365(7) . ?
C16 H28 0.9300 . ?
C17 H29 0.9300 . ?
C18 C19 1.313(7) . ?
C18 C22 1.354(6) . ?
C18 H30 0.9300 . ?
C19 C20 1.225(9) . ?
C19 H31 0.9300 . ?
C20 C21 1.264(9) . ?
C20 H32 0.9300 . ?
C21 C22 1.386(7) . ?
C21 H33 0.9300 . ?
C22 H34 0.9300 . ?

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
C1 Ti1 C4 83.55(8) . . ?
C1 Ti1 C20 116.7(3) . . ?
C4 Ti1 C20 80.8(2) . . ?
C1 Ti1 C21 134.41(12) . . ?
C4 Ti1 C21 107.8(2) . . ?
C20 Ti1 C21 31.4(2) . . ?
C1 Ti1 C17 113.2(2) . . ?
C4 Ti1 C17 133.90(13) . . ?
C20 Ti1 C17 121.5(3) . . ?
C21 Ti1 C17 90.7(2) . . ?
C1 Ti1 C19 87.2(2) . . ?
C4 Ti1 C19 83.15(16) . . ?
C20 Ti1 C19 30.3(2) . . ?
C21 Ti1 C19 52.4(2) . . ?
C17 Ti1 C19 137.36(16) . . ?
C1 Ti1 C13 83.27(16) . . ?
C4 Ti1 C13 121.6(2) . . ?
C20 Ti1 C13 152.8(3) . . ?
C21 Ti1 C13 121.4(3) . . ?
C17 Ti1 C13 32.26(18) . . ?
C19 Ti1 C13 152.0(3) . . ?
C1 Ti1 C16 134.62(10) . . ?
C4 Ti1 C16 104.04(15) . . ?
C20 Ti1 C16 108.7(3) . . ?
C21 Ti1 C16 86.51(17) . . ?
C17 Ti1 C16 33.69(16) . . ?
C19 Ti1 C16 137.8(2) . . ?
C13 Ti1 C16 54.29(14) . . ?
C1 Ti1 C22 107.55(16) . . ?
C4 Ti1 C22 133.81(11) . . ?
C20 Ti1 C22 53.78(19) . . ?
C21 Ti1 C22 34.23(18) . . ?
C17 Ti1 C22 83.78(16) . . ?
C19 Ti1 C22 53.87(14) . . ?
C13 Ti1 C22 104.4(2) . . ?
C16 Ti1 C22 98.85(19) . . ?
C1 Ti1 C14 81.69(12) . . ?
C4 Ti1 C14 89.48(17) . . ?
C20 Ti1 C14 157.7(3) . . ?
C21 Ti1 C14 140.26(16) . . ?
C17 Ti1 C14 54.02(16) . . ?
C19 Ti1 C14 167.29(18) . . ?
C13 Ti1 C14 32.31(17) . . ?
C16 Ti1 C14 54.21(13) . . ?
C22 Ti1 C14 135.83(18) . . ?
C1 Ti1 C18 80.16(10) . . ?
C4 Ti1 C18 113.32(18) . . ?
C20 Ti1 C18 52.45(18) . . ?
C21 Ti1 C18 54.56(14) . . ?
C17 Ti1 C18 111.8(2) . . ?
C19 Ti1 C18 32.22(19) . . ?
C13 Ti1 C18 119.8(2) . . ?
C16 Ti1 C18 132.00(19) . . ?
C22 Ti1 C18 33.17(15) . . ?
C14 Ti1 C18 148.8(2) . . ?
C1 Ti1 C15 111.84(15) . . ?
C4 Ti1 C15 79.28(10) . . ?
C20 Ti1 C15 124.4(2) . . ?
C21 Ti1 C15 113.62(18) . . ?
C17 Ti1 C15 54.67(14) . . ?
C19 Ti1 C15 152.2(3) . . ?
C13 Ti1 C15 54.42(14) . . ?
C16 Ti1 C15 32.18(14) . . ?
C22 Ti1 C15 131.02(19) . . ?
C14 Ti1 C15 33.43(16) . . ?
C18 Ti1 C15 164.15(19) . . ?
C7 Si1 C1 114.31(13) . . ?
C7 Si1 C9 104.93(18) . . ?
C1 Si1 C9 111.28(13) . . ?
C7 Si1 C8 104.65(19) . . ?
C1 Si1 C8 111.57(12) . . ?
C9 Si1 C8 109.69(17) . . ?
C11 Si2 C10 104.9(2) . . ?
C11 Si2 C12 109.3(2) . . ?
C10 Si2 C12 104.2(2) . . ?
C11 Si2 C4 111.45(14) . . ?
C10 Si2 C4 114.22(13) . . ?
C12 Si2 C4 112.34(13) . . ?
C2 C1 Si1 122.46(15) . . ?
C2 C1 Ti1 107.89(14) . . ?
Si1 C1 Ti1 129.65(10) . . ?
C1 C2 C3 120.22(17) . . ?
C1 C2 C5 123.0(2) . . ?
C3 C2 C5 116.8(2) . . ?
C4 C3 C2 120.46(18) . . ?
C4 C3 C6 123.4(2) . . ?
C2 C3 C6 116.2(2) . . ?
C3 C4 Si2 123.07(15) . . ?
C3 C4 Ti1 107.87(14) . . ?
Si2 C4 Ti1 129.06(11) . . ?
C2 C5 H1 105(3) . . ?
C2 C5 H2 113(2) . . ?
H1 C5 H2 103(3) . . ?
C2 C5 H3 117(2) . . ?
H1 C5 H3 103(3) . . ?
H2 C5 H3 114(3) . . ?
C3 C6 H4 109(2) . . ?
C3 C6 H5 113(2) . . ?
H4 C6 H5 113(3) . . ?
C3 C6 H6 110(3) . . ?
H4 C6 H6 108(3) . . ?
H5 C6 H6 104(3) . . ?
Si1 C7 H7 109.5 . . ?
Si1 C7 H8 109.5 . . ?
H7 C7 H8 109.5 . . ?
Si1 C7 H9 109.5 . . ?
H7 C7 H9 109.5 . . ?
H8 C7 H9 109.5 . . ?
Si1 C8 H10 109.5 . . ?
Si1 C8 H11 109.5 . . ?
H10 C8 H11 109.5 . . ?
Si1 C8 H12 109.5 . . ?
H10 C8 H12 109.5 . . ?
H11 C8 H12 109.5 . . ?
Si1 C9 H13 109.5 . . ?
Si1 C9 H14 109.5 . . ?
H13 C9 H14 109.5 . . ?
Si1 C9 H15 109.5 . . ?
H13 C9 H15 109.5 . . ?
H14 C9 H15 109.5 . . ?
Si2 C10 H16 109.5 . . ?
Si2 C10 H17 109.5 . . ?
H16 C10 H17 109.5 . . ?
Si2 C10 H18 109.5 . . ?
H16 C10 H18 109.5 . . ?
H17 C10 H18 109.5 . . ?
Si2 C11 H19 109.5 . . ?
Si2 C11 H20 109.5 . . ?
H19 C11 H20 109.5 . . ?
Si2 C11 H21 109.5 . . ?
H19 C11 H21 109.5 . . ?
H20 C11 H21 109.5 . . ?
Si2 C12 H22 109.5 . . ?
Si2 C12 H23 109.5 . . ?
H22 C12 H23 109.5 . . ?
Si2 C12 H24 109.5 . . ?
H22 C12 H24 109.5 . . ?
H23 C12 H24 109.5 . . ?
C17 C13 C14 109.5(4) . . ?
C17 C13 Ti1 73.4(2) . . ?
C14 C13 Ti1 74.2(2) . . ?
C17 C13 H25 125.2 . . ?
C14 C13 H25 125.2 . . ?
Ti1 C13 H25 118.9 . . ?
C13 C14 C15 107.9(4) . . ?
C13 C14 Ti1 73.48(19) . . ?
C15 C14 Ti1 73.84(18) . . ?
C13 C14 H26 126.1 . . ?
C15 C14 H26 126.1 . . ?
Ti1 C14 H26 118.6 . . ?
C16 C15 C14 106.9(4) . . ?
C16 C15 Ti1 73.02(19) . . ?
C14 C15 Ti1 72.73(18) . . ?
C16 C15 H27 126.5 . . ?
C14 C15 H27 126.5 . . ?
Ti1 C15 H27 119.7 . . ?
C15 C16 C17 108.4(4) . . ?
C15 C16 Ti1 74.81(18) . . ?
C17 C16 Ti1 72.7(2) . . ?
C15 C16 H28 125.8 . . ?
C17 C16 H28 125.8 . . ?
Ti1 C16 H28 118.5 . . ?
C13 C17 C16 107.3(4) . . ?
C13 C17 Ti1 74.3(2) . . ?
C16 C17 Ti1 73.61(19) . . ?
C13 C17 H29 126.3 . . ?
C16 C17 H29 126.3 . . ?
Ti1 C17 H29 117.8 . . ?
C19 C18 C22 106.6(5) . . ?
C19 C18 Ti1 73.0(2) . . ?
C22 C18 Ti1 73.03(18) . . ?
C19 C18 H30 126.7 . . ?
C22 C18 H30 126.7 . . ?
Ti1 C18 H30 119.3 . . ?
C20 C19 C18 110.0(6) . . ?
C20 C19 Ti1 73.7(3) . . ?
C18 C19 Ti1 74.8(2) . . ?
C20 C19 H31 125.0 . . ?
C18 C19 H31 125.0 . . ?
Ti1 C19 H31 118.2 . . ?
C19 C20 C21 112.7(6) . . ?
C19 C20 Ti1 76.0(3) . . ?
C21 C20 Ti1 75.0(3) . . ?
C19 C20 H32 123.6 . . ?
C21 C20 H32 123.6 . . ?
Ti1 C20 H32 116.9 . . ?
C20 C21 C22 106.4(5) . . ?
C20 C21 Ti1 73.6(2) . . ?
C22 C21 Ti1 73.8(2) . . ?
C20 C21 H33 126.8 . . ?
C22 C21 H33 126.8 . . ?
Ti1 C21 H33 117.9 . . ?
C18 C22 C21 104.3(4) . . ?
C18 C22 Ti1 73.81(19) . . ?
C21 C22 Ti1 71.96(18) . . ?
C18 C22 H34 127.9 . . ?
C21 C22 H34 127.9 . . ?
Ti1 C22 H34 118.6 . . ?

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
C7 Si1 C1 C2 -179.7(2) . . . . ?
C9 Si1 C1 C2 61.7(2) . . . . ?
C8 Si1 C1 C2 -61.2(2) . . . . ?
C7 Si1 C1 Ti1 0.2(2) . . . . ?
C9 Si1 C1 Ti1 -118.39(17) . . . . ?
C8 Si1 C1 Ti1 118.73(17) . . . . ?
Si1 C1 C2 C3 179.45(15) . . . . ?
Ti1 C1 C2 C3 -0.5(2) . . . . ?
Si1 C1 C2 C5 -0.3(3) . . . . ?
Ti1 C1 C2 C5 179.8(2) . . . . ?
C1 C2 C3 C4 0.0(3) . . . . ?
C5 C2 C3 C4 179.7(2) . . . . ?
C1 C2 C3 C6 179.2(3) . . . . ?
C5 C2 C3 C6 -1.1(4) . . . . ?
C2 C3 C4 Si2 -179.67(15) . . . . ?
C6 C3 C4 Si2 1.2(4) . . . . ?
C2 C3 C4 Ti1 0.5(2) . . . . ?
C6 C3 C4 Ti1 -178.6(3) . . . . ?
C11 Si2 C4 C3 62.6(2) . . . . ?
C10 Si2 C4 C3 -178.8(2) . . . . ?
C12 Si2 C4 C3 -60.3(3) . . . . ?
C11 Si2 C4 Ti1 -117.58(19) . . . . ?
C10 Si2 C4 Ti1 1.0(2) . . . . ?
C12 Si2 C4 Ti1 119.4(2) . . . . ?
C17 C13 C14 C15 -0.8(4) . . . . ?
Ti1 C13 C14 C15 -66.4(2) . . . . ?
C17 C13 C14 Ti1 65.5(3) . . . . ?
C13 C14 C15 C16 0.6(4) . . . . ?
Ti1 C14 C15 C16 -65.5(2) . . . . ?
C13 C14 C15 Ti1 66.1(2) . . . . ?
C14 C15 C16 C17 -0.2(4) . . . . ?
Ti1 C15 C16 C17 -65.5(2) . . . . ?
C14 C15 C16 Ti1 65.3(2) . . . . ?
C14 C13 C17 C16 0.7(4) . . . . ?
Ti1 C13 C17 C16 66.8(2) . . . . ?
C14 C13 C17 Ti1 -66.0(3) . . . . ?
C15 C16 C17 C13 -0.3(4) . . . . ?
Ti1 C16 C17 C13 -67.2(3) . . . . ?
C15 C16 C17 Ti1 66.9(2) . . . . ?
C22 C18 C19 C20 0.1(5) . . . . ?
Ti1 C18 C19 C20 65.9(4) . . . . ?
C22 C18 C19 Ti1 -65.8(2) . . . . ?
C18 C19 C20 C21 0.1(6) . . . . ?
Ti1 C19 C20 C21 66.8(4) . . . . ?
C18 C19 C20 Ti1 -66.6(3) . . . . ?
C19 C20 C21 C22 -0.3(6) . . . . ?
Ti1 C20 C21 C22 67.1(3) . . . . ?
C19 C20 C21 Ti1 -67.4(4) . . . . ?
C19 C18 C22 C21 -0.3(4) . . . . ?
Ti1 C18 C22 C21 -66.0(2) . . . . ?
C19 C18 C22 Ti1 65.7(2) . . . . ?
C20 C21 C22 C18 0.4(4) . . . . ?
Ti1 C21 C22 C18 67.3(2) . . . . ?
C20 C21 C22 Ti1 -67.0(3) . . . . ?

_refine_diff_density_max         0.386
_refine_diff_density_min         -0.367
_refine_diff_density_rms         0.052

