# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_ax0564
_database_code_depnum_ccdc_archive 'CCDC 1011531'
_audit_update_record             
;
2014-07-01 deposited with the CCDC.
2015-01-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C70 H90 N2 O8 Si4 Ti2'
_chemical_formula_weight         1295.60

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'
Ti Ti 0.2776 0.4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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                   10.0526(16)
_cell_length_b                   11.8019(18)
_cell_length_c                   14.793(2)
_cell_angle_alpha                74.190(3)
_cell_angle_beta                 89.420(3)
_cell_angle_gamma                75.231(3)
_cell_volume                     1629.6(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    7674
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      28.70

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             688
_exptl_absorpt_coefficient_mu    0.376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'

_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  'curved graphite'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31473
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_av_sigmaI/netI    0.0559
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.86
_diffrn_reflns_theta_max         28.00
_reflns_number_total             7875
_reflns_number_gt                5813
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2011)'
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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)+(0.0465P)²+0.1855P] 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         7875
_refine_ls_number_parameters     400
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0376
_refine_ls_wR_factor_ref         0.0943
_refine_ls_wR_factor_gt          0.0854
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.008
_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 0.90631(17) 0.85770(15) 0.64718(12) 0.0131(4) Uani 1 1 d . . .
C2 C 0.96735(17) 0.87566(16) 0.72731(12) 0.0146(4) Uani 1 1 d . . .
C3 C 0.88016(18) 0.97880(16) 0.74914(12) 0.0155(4) Uani 1 1 d . . .
C4 C 0.76462(18) 1.02543(16) 0.68470(12) 0.0157(4) Uani 1 1 d . . .
C5 C 0.77603(17) 0.94963(15) 0.62390(12) 0.0144(4) Uani 1 1 d . . .
C6 C 1.10862(18) 0.81254(18) 0.77482(13) 0.0212(4) Uani 1 1 d . . .
H6A H 1.1698 0.8664 0.7554 0.032 Uiso 1 1 calc R . .
H6B H 1.1455 0.7371 0.7568 0.032 Uiso 1 1 calc R . .
H6C H 1.1027 0.7930 0.8433 0.032 Uiso 1 1 calc R . .
C7 C 0.9138(2) 1.03725(18) 0.82095(14) 0.0237(4) Uani 1 1 d . . .
H7A H 0.9529 1.1051 0.7902 0.036 Uiso 1 1 calc R . .
H7B H 0.9809 0.9768 0.8692 0.036 Uiso 1 1 calc R . .
H7C H 0.8296 1.0681 0.8504 0.036 Uiso 1 1 calc R . .
C8 C 0.6575(2) 1.14283(17) 0.67598(14) 0.0233(4) Uani 1 1 d . . .
H8A H 0.6244 1.1451 0.7382 0.035 Uiso 1 1 calc R . .
H8B H 0.5802 1.1487 0.6336 0.035 Uiso 1 1 calc R . .
H8C H 0.6978 1.2115 0.6505 0.035 Uiso 1 1 calc R . .
C9 C 0.67705(18) 0.97411(17) 0.54184(12) 0.0188(4) Uani 1 1 d . . .
H9A H 0.5828 1.0034 0.5592 0.028 Uiso 1 1 calc R . .
H9B H 0.6856 0.8987 0.5238 0.028 Uiso 1 1 calc R . .
H9C H 0.6979 1.0363 0.4887 0.028 Uiso 1 1 calc R . .
C10 C 1.16934(19) 0.68756(19) 0.58869(14) 0.0258(5) Uani 1 1 d . . .
H10A H 1.2025 0.6477 0.5396 0.039 Uiso 1 1 calc R . .
H10B H 1.1864 0.6266 0.6503 0.039 Uiso 1 1 calc R . .
H10C H 1.2183 0.7497 0.5882 0.039 Uiso 1 1 calc R . .
C11 C 0.9616(2) 0.86231(17) 0.44181(13) 0.0222(4) Uani 1 1 d . . .
H11A H 1.0034 0.9296 0.4392 0.033 Uiso 1 1 calc R . .
H11B H 0.8637 0.8954 0.4210 0.033 Uiso 1 1 calc R . .
H11C H 1.0085 0.8146 0.4004 0.033 Uiso 1 1 calc R . .
C12 C 0.9389(2) 0.45799(17) 0.62678(14) 0.0226(4) Uani 1 1 d . . .
H12A H 1.0200 0.4430 0.6688 0.034 Uiso 1 1 calc R . .
H12B H 0.9682 0.4365 0.5689 0.034 Uiso 1 1 calc R . .
H12C H 0.8784 0.4080 0.6582 0.034 Uiso 1 1 calc R . .
C13 C 0.7131(2) 0.64815(19) 0.49852(13) 0.0244(4) Uani 1 1 d . . .
H13A H 0.6466 0.6005 0.5213 0.037 Uiso 1 1 calc R . .
H13B H 0.7606 0.6215 0.4467 0.037 Uiso 1 1 calc R . .
H13C H 0.6645 0.7349 0.4761 0.037 Uiso 1 1 calc R . .
C14 C 0.76423(17) 0.65586(15) 0.70646(12) 0.0128(3) Uani 1 1 d . . .
C15 C 0.83974(18) 0.61155(15) 0.79714(12) 0.0143(4) Uani 1 1 d . . .
C16 C 0.74319(18) 0.61644(15) 0.86785(12) 0.0158(4) Uani 1 1 d . . .
C17 C 0.61118(18) 0.67074(16) 0.82284(12) 0.0156(4) Uani 1 1 d . . .
C18 C 0.62310(17) 0.69666(15) 0.72431(12) 0.0138(4) Uani 1 1 d . . .
C19 C 0.99107(18) 0.55382(17) 0.81885(13) 0.0197(4) Uani 1 1 d . . .
H19A H 1.0260 0.5888 0.8636 0.030 Uiso 1 1 calc R . .
H19B H 1.0394 0.5692 0.7607 0.030 Uiso 1 1 calc R . .
H19C H 1.0068 0.4657 0.8464 0.030 Uiso 1 1 calc R . .
C20 C 0.7781(2) 0.56266(18) 0.97148(13) 0.0239(4) Uani 1 1 d . . .
H20A H 0.7121 0.6092 1.0059 0.036 Uiso 1 1 calc R . .
H20B H 0.8714 0.5661 0.9865 0.036 Uiso 1 1 calc R . .
H20C H 0.7734 0.4775 0.9899 0.036 Uiso 1 1 calc R . .
C21 C 0.47781(19) 0.68647(19) 0.87080(14) 0.0236(4) Uani 1 1 d . . .
H21A H 0.4332 0.6235 0.8656 0.035 Uiso 1 1 calc R . .
H21B H 0.4168 0.7673 0.8407 0.035 Uiso 1 1 calc R . .
H21C H 0.4964 0.6788 0.9374 0.035 Uiso 1 1 calc R . .
C22 C 0.50214(17) 0.74486(17) 0.65342(13) 0.0189(4) Uani 1 1 d . . .
H22A H 0.5287 0.7927 0.5942 0.028 Uiso 1 1 calc R . .
H22B H 0.4261 0.7969 0.6773 0.028 Uiso 1 1 calc R . .
H22C H 0.4726 0.6765 0.6425 0.028 Uiso 1 1 calc R . .
C23 C 0.44235(18) 0.99455(16) 0.74961(13) 0.0176(4) Uani 1 1 d . . .
C24 C 0.35466(17) 1.04242(15) 0.82145(12) 0.0141(4) Uani 1 1 d . . .
C25 C 0.38663(18) 0.99113(17) 0.91723(13) 0.0194(4) Uani 1 1 d . . .
H25 H 0.4616 0.9206 0.9387 0.023 Uiso 1 1 calc R . .
C26 C 0.31061(18) 1.04151(17) 0.98196(12) 0.0187(4) Uani 1 1 d . . .
H26 H 0.3344 1.0059 1.0474 0.022 Uiso 1 1 calc R . .
C28 C 0.16284(17) 1.19197(16) 0.85566(12) 0.0158(4) Uani 1 1 d . . .
H28 H 0.0842 1.2591 0.8343 0.019 Uiso 1 1 calc R . .
C29 C 0.24038(17) 1.14227(16) 0.79093(12) 0.0155(4) Uani 1 1 d . . .
H29 H 0.2154 1.1765 0.7255 0.019 Uiso 1 1 calc R . .
C30 C 0.87935(18) 0.79538(16) 0.97941(12) 0.0173(4) Uani 1 1 d . . .
C27 C 0.80075(17) 0.85569(16) 1.04833(12) 0.0143(4) Uani 1 1 d . . .
C31 C 0.6891(2) 0.3649(2) 0.80870(18) 0.0357(5) Uani 1 1 d . . .
H31 H 0.7814 0.3653 0.8212 0.043 Uiso 1 1 calc R . .
C32 C 0.6232(3) 0.3027(2) 0.88067(17) 0.0401(6) Uani 1 1 d . . .
H32 H 0.6697 0.2607 0.9407 0.048 Uiso 1 1 calc R . .
C33 C 0.4886(3) 0.3033(2) 0.86311(19) 0.0453(7) Uani 1 1 d . . .
H33 H 0.4406 0.2609 0.9106 0.054 Uiso 1 1 calc R . .
C34 C 0.4256(3) 0.3664(2) 0.7758(2) 0.0443(6) Uani 1 1 d . . .
H34 H 0.3320 0.3708 0.7623 0.053 Uiso 1 1 calc R . .
C35 C 0.5001(3) 0.4234(2) 0.70802(19) 0.0402(6) Uani 1 1 d . . .
H35 H 0.4562 0.4646 0.6472 0.048 Uiso 1 1 calc R . .
N1 N 0.6300(2) 0.42402(16) 0.72282(14) 0.0361(5) Uani 1 1 d . . .
O1 O 0.56403(12) 0.92467(11) 0.78283(9) 0.0193(3) Uani 1 1 d . . .
O2 O 0.39776(13) 1.02310(13) 0.66763(9) 0.0267(3) Uani 1 1 d . . .
O3 O 0.80853(13) 0.81535(11) 0.90100(8) 0.0199(3) Uani 1 1 d . . .
O4 O 0.99746(13) 0.73120(12) 0.99943(9) 0.0257(3) Uani 1 1 d . . .
Si1 Si 0.97938(5) 0.76171(4) 0.56563(3) 0.01483(12) Uani 1 1 d . . .
Si2 Si 0.84255(5) 0.62425(4) 0.59689(3) 0.01435(11) Uani 1 1 d . . .
Ti1 Ti 0.75021(3) 0.82282(3) 0.77383(2) 0.01137(8) Uani 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
C1 C2 1.430(2) . ?
C1 C5 1.446(2) . ?
C1 Si1 1.8923(18) . ?
C1 Ti1 2.4478(16) . ?
C2 C3 1.421(2) . ?
C2 C6 1.504(2) . ?
C2 Ti1 2.4611(17) . ?
C3 C4 1.404(2) . ?
C3 C7 1.498(3) . ?
C3 Ti1 2.4655(18) . ?
C4 C5 1.416(3) . ?
C4 C8 1.497(2) . ?
C4 Ti1 2.4355(18) . ?
C5 C9 1.495(2) . ?
C5 Ti1 2.3672(17) . ?
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 Si1 1.8781(19) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si1 1.8736(18) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si2 1.8842(19) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 Si2 1.875(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C18 1.424(2) . ?
C14 C15 1.444(2) . ?
C14 Si2 1.8816(18) . ?
C14 Ti1 2.4128(18) . ?
C15 C16 1.422(2) . ?
C15 C19 1.498(2) . ?
C15 Ti1 2.3537(17) . ?
C16 C17 1.402(2) . ?
C16 C20 1.498(2) . ?
C16 Ti1 2.4723(17) . ?
C17 C18 1.416(2) . ?
C17 C21 1.504(2) . ?
C17 Ti1 2.4999(18) . ?
C18 C22 1.500(2) . ?
C18 Ti1 2.4433(18) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 O2 1.223(2) . ?
C23 O1 1.302(2) . ?
C23 C24 1.510(2) . ?
C24 C25 1.386(2) . ?
C24 C29 1.394(2) . ?
C25 C26 1.385(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.395(2) 2_677 ?
C26 H26 0.9500 . ?
C28 C29 1.388(2) . ?
C28 C27 1.392(2) 2_677 ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 O4 1.224(2) . ?
C30 O3 1.300(2) . ?
C30 C27 1.504(2) . ?
C27 C28 1.392(2) 2_677 ?
C27 C26 1.396(2) 2_677 ?
C31 N1 1.332(3) . ?
C31 C32 1.385(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.378(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.370(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.376(3) . ?
C34 H34 0.9500 . ?
C35 N1 1.328(3) . ?
C35 H35 0.9500 . ?
O1 Ti1 1.9750(12) . ?
O3 Ti1 1.9484(13) . ?
Si1 Si2 2.3353(8) . ?

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
C2 C1 C5 106.01(15) . . ?
C2 C1 Si1 131.45(12) . . ?
C5 C1 Si1 121.53(13) . . ?
C2 C1 Ti1 73.58(9) . . ?
C5 C1 Ti1 69.50(9) . . ?
Si1 C1 Ti1 130.05(9) . . ?
C3 C2 C1 108.64(15) . . ?
C3 C2 C6 122.61(16) . . ?
C1 C2 C6 128.16(16) . . ?
C3 C2 Ti1 73.41(10) . . ?
C1 C2 Ti1 72.56(9) . . ?
C6 C2 Ti1 127.00(12) . . ?
C4 C3 C2 108.52(16) . . ?
C4 C3 C7 125.40(17) . . ?
C2 C3 C7 125.70(16) . . ?
C4 C3 Ti1 72.18(10) . . ?
C2 C3 Ti1 73.07(10) . . ?
C7 C3 Ti1 126.34(12) . . ?
C3 C4 C5 108.16(15) . . ?
C3 C4 C8 125.06(17) . . ?
C5 C4 C8 126.44(16) . . ?
C3 C4 Ti1 74.53(10) . . ?
C5 C4 Ti1 70.23(10) . . ?
C8 C4 Ti1 126.22(12) . . ?
C4 C5 C1 108.53(15) . . ?
C4 C5 C9 124.12(15) . . ?
C1 C5 C9 126.85(16) . . ?
C4 C5 Ti1 75.51(10) . . ?
C1 C5 Ti1 75.59(9) . . ?
C9 C5 Ti1 121.64(12) . . ?
C2 C6 H6A 109.5 . . ?
C2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C3 C7 H7A 109.5 . . ?
C3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C5 C9 H9A 109.5 . . ?
C5 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C5 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si1 C10 H10A 109.5 . . ?
Si1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C18 C14 C15 106.13(15) . . ?
C18 C14 Si2 129.58(13) . . ?
C15 C14 Si2 122.66(12) . . ?
C18 C14 Ti1 74.12(10) . . ?
C15 C14 Ti1 70.14(10) . . ?
Si2 C14 Ti1 131.59(8) . . ?
C16 C15 C14 108.26(15) . . ?
C16 C15 C19 123.15(15) . . ?
C14 C15 C19 128.13(15) . . ?
C16 C15 Ti1 77.48(10) . . ?
C14 C15 Ti1 74.61(9) . . ?
C19 C15 Ti1 120.35(12) . . ?
C17 C16 C15 107.95(15) . . ?
C17 C16 C20 126.90(16) . . ?
C15 C16 C20 124.96(16) . . ?
C17 C16 Ti1 74.70(10) . . ?
C15 C16 Ti1 68.34(9) . . ?
C20 C16 Ti1 126.32(13) . . ?
C16 C17 C18 108.58(15) . . ?
C16 C17 C21 125.79(16) . . ?
C18 C17 C21 125.32(16) . . ?
C16 C17 Ti1 72.54(10) . . ?
C18 C17 Ti1 71.17(10) . . ?
C21 C17 Ti1 127.19(13) . . ?
C17 C18 C14 108.85(15) . . ?
C17 C18 C22 123.84(15) . . ?
C14 C18 C22 126.90(16) . . ?
C17 C18 Ti1 75.57(10) . . ?
C14 C18 Ti1 71.78(10) . . ?
C22 C18 Ti1 124.69(12) . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 H22A 109.5 . . ?
C18 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C18 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O2 C23 O1 125.40(16) . . ?
O2 C23 C24 120.11(15) . . ?
O1 C23 C24 114.49(15) . . ?
C25 C24 C29 119.02(16) . . ?
C25 C24 C23 121.61(15) . . ?
C29 C24 C23 119.36(15) . . ?
C26 C25 C24 120.77(16) . . ?
C26 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C25 C26 C27 120.41(16) . 2_677 ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 2_677 . ?
C29 C28 C27 120.61(15) . 2_677 ?
C29 C28 H28 119.7 . . ?
C27 C28 H28 119.7 2_677 . ?
C28 C29 C24 120.31(16) . . ?
C28 C29 H29 119.8 . . ?
C24 C29 H29 119.8 . . ?
O4 C30 O3 125.17(17) . . ?
O4 C30 C27 121.08(16) . . ?
O3 C30 C27 113.72(15) . . ?
C28 C27 C26 118.75(16) 2_677 2_677 ?
C28 C27 C30 120.09(15) 2_677 . ?
C26 C27 C30 121.15(15) 2_677 . ?
N1 C31 C32 123.6(2) . . ?
N1 C31 H31 118.2 . . ?
C32 C31 H31 118.2 . . ?
C33 C32 C31 118.4(2) . . ?
C33 C32 H32 120.8 . . ?
C31 C32 H32 120.8 . . ?
C34 C33 C32 118.6(2) . . ?
C34 C33 H33 120.7 . . ?
C32 C33 H33 120.7 . . ?
C33 C34 C35 118.9(2) . . ?
C33 C34 H34 120.5 . . ?
C35 C34 H34 120.5 . . ?
N1 C35 C34 123.7(2) . . ?
N1 C35 H35 118.1 . . ?
C34 C35 H35 118.1 . . ?
C35 N1 C31 116.7(2) . . ?
C23 O1 Ti1 154.65(12) . . ?
C30 O3 Ti1 164.50(12) . . ?
C11 Si1 C10 104.41(9) . . ?
C11 Si1 C1 109.29(8) . . ?
C10 Si1 C1 113.70(9) . . ?
C11 Si1 Si2 115.53(7) . . ?
C10 Si1 Si2 114.07(7) . . ?
C1 Si1 Si2 100.09(6) . . ?
C13 Si2 C14 114.13(8) . . ?
C13 Si2 C12 105.50(9) . . ?
C14 Si2 C12 108.09(8) . . ?
C13 Si2 Si1 114.14(7) . . ?
C14 Si2 Si1 99.51(6) . . ?
C12 Si2 Si1 115.57(7) . . ?
O3 Ti1 O1 92.28(5) . . ?
O3 Ti1 C15 93.29(6) . . ?
O1 Ti1 C15 132.71(6) . . ?
O3 Ti1 C5 132.61(6) . . ?
O1 Ti1 C5 93.02(5) . . ?
C15 Ti1 C5 116.16(6) . . ?
O3 Ti1 C14 128.17(5) . . ?
O1 Ti1 C14 116.96(6) . . ?
C15 Ti1 C14 35.24(6) . . ?
C5 Ti1 C14 90.00(6) . . ?
O3 Ti1 C4 102.17(6) . . ?
O1 Ti1 C4 77.87(5) . . ?
C15 Ti1 C4 145.44(6) . . ?
C5 Ti1 C4 34.27(6) . . ?
C14 Ti1 C4 124.27(6) . . ?
O3 Ti1 C18 128.51(6) . . ?
O1 Ti1 C18 83.56(6) . . ?
C15 Ti1 C18 57.06(6) . . ?
C5 Ti1 C18 98.88(6) . . ?
C14 Ti1 C18 34.10(5) . . ?
C4 Ti1 C18 126.50(6) . . ?
O3 Ti1 C1 119.38(6) . . ?
O1 Ti1 C1 127.88(5) . . ?
C15 Ti1 C1 88.64(6) . . ?
C5 Ti1 C1 34.91(5) . . ?
C14 Ti1 C1 76.49(6) . . ?
C4 Ti1 C1 56.83(6) . . ?
C18 Ti1 C1 102.40(6) . . ?
O3 Ti1 C2 85.84(6) . . ?
O1 Ti1 C2 131.85(6) . . ?
C15 Ti1 C2 95.39(6) . . ?
C5 Ti1 C2 56.78(6) . . ?
C14 Ti1 C2 100.99(6) . . ?
C4 Ti1 C2 55.84(6) . . ?
C18 Ti1 C2 132.96(6) . . ?
C1 Ti1 C2 33.87(6) . . ?
O3 Ti1 C3 76.31(6) . . ?
O1 Ti1 C3 99.49(6) . . ?
C15 Ti1 C3 127.42(6) . . ?
C5 Ti1 C3 56.37(6) . . ?
C14 Ti1 C3 132.08(6) . . ?
C4 Ti1 C3 33.29(6) . . ?
C18 Ti1 C3 155.06(6) . . ?
C1 Ti1 C3 56.23(6) . . ?
C2 Ti1 C3 33.53(6) . . ?
O3 Ti1 C16 76.15(6) . . ?
O1 Ti1 C16 103.37(6) . . ?
C15 Ti1 C16 34.17(6) . . ?
C5 Ti1 C16 146.72(6) . . ?
C14 Ti1 C16 56.77(6) . . ?
C4 Ti1 C16 177.90(6) . . ?
C18 Ti1 C16 55.49(6) . . ?
C1 Ti1 C16 122.80(6) . . ?
C2 Ti1 C16 122.54(6) . . ?
C3 Ti1 C16 144.62(6) . . ?
O3 Ti1 C17 95.82(6) . . ?
O1 Ti1 C17 76.66(6) . . ?
C15 Ti1 C17 56.07(6) . . ?
C5 Ti1 C17 131.16(6) . . ?
C14 Ti1 C17 56.06(6) . . ?
C4 Ti1 C17 149.23(6) . . ?
C18 Ti1 C17 33.26(6) . . ?
C1 Ti1 C17 132.31(6) . . ?
C2 Ti1 C17 151.45(6) . . ?
C3 Ti1 C17 171.21(6) . . ?
C16 Ti1 C17 32.76(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
C5 C1 C2 C3 -2.72(19) . . . . ?
Si1 C1 C2 C3 165.56(13) . . . . ?
Ti1 C1 C2 C3 -65.04(12) . . . . ?
C5 C1 C2 C6 -173.93(17) . . . . ?
Si1 C1 C2 C6 -5.7(3) . . . . ?
Ti1 C1 C2 C6 123.74(18) . . . . ?
C5 C1 C2 Ti1 62.33(11) . . . . ?
Si1 C1 C2 Ti1 -129.39(15) . . . . ?
C1 C2 C3 C4 0.5(2) . . . . ?
C6 C2 C3 C4 172.35(16) . . . . ?
Ti1 C2 C3 C4 -63.95(12) . . . . ?
C1 C2 C3 C7 -172.55(16) . . . . ?
C6 C2 C3 C7 -0.7(3) . . . . ?
Ti1 C2 C3 C7 122.96(18) . . . . ?
C1 C2 C3 Ti1 64.49(12) . . . . ?
C6 C2 C3 Ti1 -123.70(16) . . . . ?
C2 C3 C4 C5 1.9(2) . . . . ?
C7 C3 C4 C5 175.04(16) . . . . ?
Ti1 C3 C4 C5 -62.60(12) . . . . ?
C2 C3 C4 C8 -171.78(16) . . . . ?
C7 C3 C4 C8 1.3(3) . . . . ?
Ti1 C3 C4 C8 123.70(17) . . . . ?
C2 C3 C4 Ti1 64.52(12) . . . . ?
C7 C3 C4 Ti1 -122.36(17) . . . . ?
C3 C4 C5 C1 -3.64(19) . . . . ?
C8 C4 C5 C1 169.96(17) . . . . ?
Ti1 C4 C5 C1 -69.04(11) . . . . ?
C3 C4 C5 C9 -175.96(16) . . . . ?
C8 C4 C5 C9 -2.4(3) . . . . ?
Ti1 C4 C5 C9 118.64(17) . . . . ?
C3 C4 C5 Ti1 65.40(12) . . . . ?
C8 C4 C5 Ti1 -121.00(18) . . . . ?
C2 C1 C5 C4 3.90(18) . . . . ?
Si1 C1 C5 C4 -165.81(12) . . . . ?
Ti1 C1 C5 C4 68.98(12) . . . . ?
C2 C1 C5 C9 175.96(16) . . . . ?
Si1 C1 C5 C9 6.2(2) . . . . ?
Ti1 C1 C5 C9 -118.96(18) . . . . ?
C2 C1 C5 Ti1 -65.08(11) . . . . ?
Si1 C1 C5 Ti1 125.21(12) . . . . ?
C18 C14 C15 C16 4.91(19) . . . . ?
Si2 C14 C15 C16 -161.75(13) . . . . ?
Ti1 C14 C15 C16 70.88(12) . . . . ?
C18 C14 C15 C19 177.27(17) . . . . ?
Si2 C14 C15 C19 10.6(3) . . . . ?
Ti1 C14 C15 C19 -116.76(19) . . . . ?
C18 C14 C15 Ti1 -65.97(12) . . . . ?
Si2 C14 C15 Ti1 127.36(12) . . . . ?
C14 C15 C16 C17 -4.2(2) . . . . ?
C19 C15 C16 C17 -177.03(17) . . . . ?
Ti1 C15 C16 C17 64.72(13) . . . . ?
C14 C15 C16 C20 171.07(17) . . . . ?
C19 C15 C16 C20 -1.8(3) . . . . ?
Ti1 C15 C16 C20 -120.00(18) . . . . ?
C14 C15 C16 Ti1 -68.93(12) . . . . ?
C19 C15 C16 Ti1 118.24(18) . . . . ?
C15 C16 C17 C18 1.8(2) . . . . ?
C20 C16 C17 C18 -173.33(18) . . . . ?
Ti1 C16 C17 C18 62.44(13) . . . . ?
C15 C16 C17 C21 175.73(18) . . . . ?
C20 C16 C17 C21 0.6(3) . . . . ?
Ti1 C16 C17 C21 -123.66(19) . . . . ?
C15 C16 C17 Ti1 -60.61(12) . . . . ?
C20 C16 C17 Ti1 124.23(19) . . . . ?
C16 C17 C18 C14 1.3(2) . . . . ?
C21 C17 C18 C14 -172.65(17) . . . . ?
Ti1 C17 C18 C14 64.59(12) . . . . ?
C16 C17 C18 C22 174.35(16) . . . . ?
C21 C17 C18 C22 0.4(3) . . . . ?
Ti1 C17 C18 C22 -122.34(17) . . . . ?
C16 C17 C18 Ti1 -63.31(13) . . . . ?
C21 C17 C18 Ti1 122.76(18) . . . . ?
C15 C14 C18 C17 -3.8(2) . . . . ?
Si2 C14 C18 C17 161.61(14) . . . . ?
Ti1 C14 C18 C17 -67.07(13) . . . . ?
C15 C14 C18 C22 -176.59(17) . . . . ?
Si2 C14 C18 C22 -11.2(3) . . . . ?
Ti1 C14 C18 C22 120.14(18) . . . . ?
C15 C14 C18 Ti1 63.27(12) . . . . ?
Si2 C14 C18 Ti1 -131.33(14) . . . . ?
O2 C23 C24 C25 164.63(18) . . . . ?
O1 C23 C24 C25 -16.0(3) . . . . ?
O2 C23 C24 C29 -16.8(3) . . . . ?
O1 C23 C24 C29 162.59(16) . . . . ?
C29 C24 C25 C26 -3.1(3) . . . . ?
C23 C24 C25 C26 175.49(17) . . . . ?
C24 C25 C26 C27 0.7(3) . . . 2_677 ?
C27 C28 C29 C24 1.1(3) 2_677 . . . ?
C25 C24 C29 C28 2.2(3) . . . . ?
C23 C24 C29 C28 -176.42(17) . . . . ?
O4 C30 C27 C28 -23.1(3) . . . 2_677 ?
O3 C30 C27 C28 154.80(16) . . . 2_677 ?
O4 C30 C27 C26 157.91(18) . . . 2_677 ?
O3 C30 C27 C26 -24.2(2) . . . 2_677 ?
N1 C31 C32 C33 -0.9(3) . . . . ?
C31 C32 C33 C34 -0.8(3) . . . . ?
C32 C33 C34 C35 2.1(4) . . . . ?
C33 C34 C35 N1 -2.0(4) . . . . ?
C34 C35 N1 C31 0.4(3) . . . . ?
C32 C31 N1 C35 1.1(3) . . . . ?
O2 C23 O1 Ti1 1.8(4) . . . . ?
C24 C23 O1 Ti1 -177.5(2) . . . . ?
O4 C30 O3 Ti1 -9.2(6) . . . . ?
C27 C30 O3 Ti1 173.0(4) . . . . ?
C2 C1 Si1 C11 -121.96(17) . . . . ?
C5 C1 Si1 C11 44.80(16) . . . . ?
Ti1 C1 Si1 C11 133.58(11) . . . . ?
C2 C1 Si1 C10 -5.75(19) . . . . ?
C5 C1 Si1 C10 161.01(14) . . . . ?
Ti1 C1 Si1 C10 -110.20(11) . . . . ?
C2 C1 Si1 Si2 116.30(16) . . . . ?
C5 C1 Si1 Si2 -76.95(14) . . . . ?
Ti1 C1 Si1 Si2 11.84(11) . . . . ?
C18 C14 Si2 C13 -1.19(19) . . . . ?
C15 C14 Si2 C13 162.10(14) . . . . ?
Ti1 C14 Si2 C13 -106.21(12) . . . . ?
C18 C14 Si2 C12 -118.22(16) . . . . ?
C15 C14 Si2 C12 45.08(17) . . . . ?
Ti1 C14 Si2 C12 136.76(11) . . . . ?
C18 C14 Si2 Si1 120.78(15) . . . . ?
C15 C14 Si2 Si1 -75.93(14) . . . . ?
Ti1 C14 Si2 Si1 15.76(11) . . . . ?
C11 Si1 Si2 C13 -8.60(10) . . . . ?
C10 Si1 Si2 C13 -129.64(10) . . . . ?
C1 Si1 Si2 C13 108.58(9) . . . . ?
C11 Si1 Si2 C14 -130.56(8) . . . . ?
C10 Si1 Si2 C14 108.40(9) . . . . ?
C1 Si1 Si2 C14 -13.38(7) . . . . ?
C11 Si1 Si2 C12 114.03(10) . . . . ?
C10 Si1 Si2 C12 -7.01(10) . . . . ?
C1 Si1 Si2 C12 -128.79(9) . . . . ?
C30 O3 Ti1 O1 -174.2(5) . . . . ?
C30 O3 Ti1 C15 52.7(5) . . . . ?
C30 O3 Ti1 C5 -78.0(5) . . . . ?
C30 O3 Ti1 C14 58.3(5) . . . . ?
C30 O3 Ti1 C4 -96.2(5) . . . . ?
C30 O3 Ti1 C18 102.2(5) . . . . ?
C30 O3 Ti1 C1 -37.6(5) . . . . ?
C30 O3 Ti1 C2 -42.4(5) . . . . ?
C30 O3 Ti1 C3 -75.0(5) . . . . ?
C30 O3 Ti1 C16 82.5(5) . . . . ?
C30 O3 Ti1 C17 108.9(5) . . . . ?
C23 O1 Ti1 O3 168.7(3) . . . . ?
C23 O1 Ti1 C15 -94.7(3) . . . . ?
C23 O1 Ti1 C5 35.8(3) . . . . ?
C23 O1 Ti1 C14 -55.7(3) . . . . ?
C23 O1 Ti1 C4 66.7(3) . . . . ?
C23 O1 Ti1 C18 -62.8(3) . . . . ?
C23 O1 Ti1 C1 37.9(3) . . . . ?
C23 O1 Ti1 C2 82.2(3) . . . . ?
C23 O1 Ti1 C3 92.2(3) . . . . ?
C23 O1 Ti1 C16 -115.0(3) . . . . ?
C23 O1 Ti1 C17 -95.9(3) . . . . ?
C16 C15 Ti1 O3 59.23(11) . . . . ?
C14 C15 Ti1 O3 172.44(10) . . . . ?
C19 C15 Ti1 O3 -62.04(14) . . . . ?
C16 C15 Ti1 O1 -36.93(14) . . . . ?
C14 C15 Ti1 O1 76.28(12) . . . . ?
C19 C15 Ti1 O1 -158.21(12) . . . . ?
C16 C15 Ti1 C5 -159.16(10) . . . . ?
C14 C15 Ti1 C5 -45.96(11) . . . . ?
C19 C15 Ti1 C5 79.56(14) . . . . ?
C16 C15 Ti1 C14 -113.21(15) . . . . ?
C19 C15 Ti1 C14 125.52(18) . . . . ?
C16 C15 Ti1 C4 176.34(11) . . . . ?
C14 C15 Ti1 C4 -70.45(15) . . . . ?
C19 C15 Ti1 C4 55.07(19) . . . . ?
C16 C15 Ti1 C18 -75.67(11) . . . . ?
C14 C15 Ti1 C18 37.54(9) . . . . ?
C19 C15 Ti1 C18 163.06(16) . . . . ?
C16 C15 Ti1 C1 178.59(11) . . . . ?
C14 C15 Ti1 C1 -68.21(10) . . . . ?
C19 C15 Ti1 C1 57.31(14) . . . . ?
C16 C15 Ti1 C2 145.36(11) . . . . ?
C14 C15 Ti1 C2 -101.43(10) . . . . ?
C19 C15 Ti1 C2 24.08(14) . . . . ?
C16 C15 Ti1 C3 134.49(10) . . . . ?
C14 C15 Ti1 C3 -112.31(10) . . . . ?
C19 C15 Ti1 C3 13.21(17) . . . . ?
C14 C15 Ti1 C16 113.21(15) . . . . ?
C19 C15 Ti1 C16 -121.27(18) . . . . ?
C16 C15 Ti1 C17 -35.57(10) . . . . ?
C14 C15 Ti1 C17 77.64(10) . . . . ?
C19 C15 Ti1 C17 -156.84(16) . . . . ?
C4 C5 Ti1 O3 -32.72(13) . . . . ?
C1 C5 Ti1 O3 81.19(12) . . . . ?
C9 C5 Ti1 O3 -154.13(12) . . . . ?
C4 C5 Ti1 O1 63.18(10) . . . . ?
C1 C5 Ti1 O1 177.08(10) . . . . ?
C9 C5 Ti1 O1 -58.24(14) . . . . ?
C4 C5 Ti1 C15 -155.32(10) . . . . ?
C1 C5 Ti1 C15 -41.41(12) . . . . ?
C9 C5 Ti1 C15 83.27(14) . . . . ?
C4 C5 Ti1 C14 -179.82(10) . . . . ?
C1 C5 Ti1 C14 -65.91(10) . . . . ?
C9 C5 Ti1 C14 58.77(14) . . . . ?
C1 C5 Ti1 C4 113.91(15) . . . . ?
C9 C5 Ti1 C4 -121.41(18) . . . . ?
C4 C5 Ti1 C18 147.12(10) . . . . ?
C1 C5 Ti1 C18 -98.97(10) . . . . ?
C9 C5 Ti1 C18 25.71(14) . . . . ?
C4 C5 Ti1 C1 -113.91(15) . . . . ?
C9 C5 Ti1 C1 124.68(19) . . . . ?
C4 C5 Ti1 C2 -76.65(11) . . . . ?
C1 C5 Ti1 C2 37.26(10) . . . . ?
C9 C5 Ti1 C2 161.94(16) . . . . ?
C4 C5 Ti1 C3 -36.22(10) . . . . ?
C1 C5 Ti1 C3 77.69(11) . . . . ?
C9 C5 Ti1 C3 -157.63(16) . . . . ?
C4 C5 Ti1 C16 -176.66(11) . . . . ?
C1 C5 Ti1 C16 -62.76(15) . . . . ?
C9 C5 Ti1 C16 61.92(18) . . . . ?
C4 C5 Ti1 C17 138.06(10) . . . . ?
C1 C5 Ti1 C17 -108.04(11) . . . . ?
C9 C5 Ti1 C17 16.64(17) . . . . ?
C18 C14 Ti1 O3 104.57(10) . . . . ?
C15 C14 Ti1 O3 -9.62(12) . . . . ?
Si2 C14 Ti1 O3 -126.14(10) . . . . ?
C18 C14 Ti1 O1 -12.60(11) . . . . ?
C15 C14 Ti1 O1 -126.79(10) . . . . ?
Si2 C14 Ti1 O1 116.69(10) . . . . ?
C18 C14 Ti1 C15 114.19(14) . . . . ?
Si2 C14 Ti1 C15 -116.52(15) . . . . ?
C18 C14 Ti1 C5 -105.99(10) . . . . ?
C15 C14 Ti1 C5 139.82(10) . . . . ?
Si2 C14 Ti1 C5 23.30(11) . . . . ?
C18 C14 Ti1 C4 -106.11(10) . . . . ?
C15 C14 Ti1 C4 139.70(10) . . . . ?
Si2 C14 Ti1 C4 23.18(14) . . . . ?
C15 C14 Ti1 C18 -114.19(14) . . . . ?
Si2 C14 Ti1 C18 129.29(16) . . . . ?
C18 C14 Ti1 C1 -138.50(10) . . . . ?
C15 C14 Ti1 C1 107.32(10) . . . . ?
Si2 C14 Ti1 C1 -9.21(10) . . . . ?
C18 C14 Ti1 C2 -162.07(10) . . . . ?
C15 C14 Ti1 C2 83.75(10) . . . . ?
Si2 C14 Ti1 C2 -32.78(12) . . . . ?
C18 C14 Ti1 C3 -147.72(10) . . . . ?
C15 C14 Ti1 C3 98.09(11) . . . . ?
Si2 C14 Ti1 C3 -18.44(14) . . . . ?
C18 C14 Ti1 C16 76.08(10) . . . . ?
C15 C14 Ti1 C16 -38.11(10) . . . . ?
Si2 C14 Ti1 C16 -154.63(13) . . . . ?
C18 C14 Ti1 C17 36.51(9) . . . . ?
C15 C14 Ti1 C17 -77.67(10) . . . . ?
Si2 C14 Ti1 C17 165.80(13) . . . . ?
C3 C4 Ti1 O3 39.68(11) . . . . ?
C5 C4 Ti1 O3 155.99(10) . . . . ?
C8 C4 Ti1 O3 -82.75(16) . . . . ?
C3 C4 Ti1 O1 129.41(11) . . . . ?
C5 C4 Ti1 O1 -114.28(10) . . . . ?
C8 C4 Ti1 O1 6.98(15) . . . . ?
C3 C4 Ti1 C15 -74.95(15) . . . . ?
C5 C4 Ti1 C15 41.36(16) . . . . ?
C8 C4 Ti1 C15 162.63(14) . . . . ?
C3 C4 Ti1 C5 -116.31(14) . . . . ?
C8 C4 Ti1 C5 121.3(2) . . . . ?
C3 C4 Ti1 C14 -116.09(11) . . . . ?
C5 C4 Ti1 C14 0.22(12) . . . . ?
C8 C4 Ti1 C14 121.48(15) . . . . ?
C3 C4 Ti1 C18 -158.16(10) . . . . ?
C5 C4 Ti1 C18 -41.85(12) . . . . ?
C8 C4 Ti1 C18 79.42(17) . . . . ?
C3 C4 Ti1 C1 -77.62(11) . . . . ?
C5 C4 Ti1 C1 38.69(9) . . . . ?
C8 C4 Ti1 C1 159.95(18) . . . . ?
C3 C4 Ti1 C2 -36.67(10) . . . . ?
C5 C4 Ti1 C2 79.64(10) . . . . ?
C8 C4 Ti1 C2 -159.10(18) . . . . ?
C5 C4 Ti1 C3 116.31(14) . . . . ?
C8 C4 Ti1 C3 -122.4(2) . . . . ?
C3 C4 Ti1 C16 3.0(17) . . . . ?
C5 C4 Ti1 C16 119.3(16) . . . . ?
C8 C4 Ti1 C16 -119.4(16) . . . . ?
C3 C4 Ti1 C17 164.07(11) . . . . ?
C5 C4 Ti1 C17 -79.62(15) . . . . ?
C8 C4 Ti1 C17 41.6(2) . . . . ?
C17 C18 Ti1 O3 12.34(12) . . . . ?
C14 C18 Ti1 O3 -103.50(10) . . . . ?
C22 C18 Ti1 O3 133.76(13) . . . . ?
C17 C18 Ti1 O1 -75.44(10) . . . . ?
C14 C18 Ti1 O1 168.71(10) . . . . ?
C22 C18 Ti1 O1 45.97(14) . . . . ?
C17 C18 Ti1 C15 77.00(10) . . . . ?
C14 C18 Ti1 C15 -38.84(9) . . . . ?
C22 C18 Ti1 C15 -161.59(17) . . . . ?
C17 C18 Ti1 C5 -167.51(10) . . . . ?
C14 C18 Ti1 C5 76.65(10) . . . . ?
C22 C18 Ti1 C5 -46.09(15) . . . . ?
C17 C18 Ti1 C14 115.84(14) . . . . ?
C22 C18 Ti1 C14 -122.74(19) . . . . ?
C17 C18 Ti1 C4 -145.16(10) . . . . ?
C14 C18 Ti1 C4 99.00(10) . . . . ?
C22 C18 Ti1 C4 -23.74(17) . . . . ?
C17 C18 Ti1 C1 157.13(10) . . . . ?
C14 C18 Ti1 C1 41.28(10) . . . . ?
C22 C18 Ti1 C1 -81.46(15) . . . . ?
C17 C18 Ti1 C2 140.24(10) . . . . ?
C14 C18 Ti1 C2 24.39(13) . . . . ?
C22 C18 Ti1 C2 -98.35(15) . . . . ?
C17 C18 Ti1 C3 -174.12(12) . . . . ?
C14 C18 Ti1 C3 70.04(17) . . . . ?
C22 C18 Ti1 C3 -52.7(2) . . . . ?
C17 C18 Ti1 C16 35.67(9) . . . . ?
C14 C18 Ti1 C16 -80.18(10) . . . . ?
C22 C18 Ti1 C16 157.08(17) . . . . ?
C14 C18 Ti1 C17 -115.84(14) . . . . ?
C22 C18 Ti1 C17 121.41(18) . . . . ?
C2 C1 Ti1 O3 -8.76(12) . . . . ?
C5 C1 Ti1 O3 -123.42(10) . . . . ?
Si1 C1 Ti1 O3 122.07(10) . . . . ?
C2 C1 Ti1 O1 110.96(10) . . . . ?
C5 C1 Ti1 O1 -3.69(13) . . . . ?
Si1 C1 Ti1 O1 -118.21(10) . . . . ?
C2 C1 Ti1 C15 -101.78(10) . . . . ?
C5 C1 Ti1 C15 143.57(11) . . . . ?
Si1 C1 Ti1 C15 29.06(11) . . . . ?
C2 C1 Ti1 C5 114.65(15) . . . . ?
Si1 C1 Ti1 C5 -114.52(16) . . . . ?
C2 C1 Ti1 C14 -135.21(11) . . . . ?
C5 C1 Ti1 C14 110.13(11) . . . . ?
Si1 C1 Ti1 C14 -4.38(10) . . . . ?
C2 C1 Ti1 C4 76.71(11) . . . . ?
C5 C1 Ti1 C4 -37.95(10) . . . . ?
Si1 C1 Ti1 C4 -152.46(13) . . . . ?
C2 C1 Ti1 C18 -157.57(10) . . . . ?
C5 C1 Ti1 C18 87.78(11) . . . . ?
Si1 C1 Ti1 C18 -26.74(11) . . . . ?
C5 C1 Ti1 C2 -114.65(15) . . . . ?
Si1 C1 Ti1 C2 130.83(16) . . . . ?
C2 C1 Ti1 C3 36.55(10) . . . . ?
C5 C1 Ti1 C3 -78.10(11) . . . . ?
Si1 C1 Ti1 C3 167.38(13) . . . . ?
C2 C1 Ti1 C16 -100.83(11) . . . . ?
C5 C1 Ti1 C16 144.52(10) . . . . ?
Si1 C1 Ti1 C16 30.00(13) . . . . ?
C2 C1 Ti1 C17 -140.81(10) . . . . ?
C5 C1 Ti1 C17 104.53(11) . . . . ?
Si1 C1 Ti1 C17 -9.98(14) . . . . ?
C3 C2 Ti1 O3 -71.34(10) . . . . ?
C1 C2 Ti1 O3 172.35(10) . . . . ?
C6 C2 Ti1 O3 47.32(16) . . . . ?
C3 C2 Ti1 O1 18.00(13) . . . . ?
C1 C2 Ti1 O1 -98.31(11) . . . . ?
C6 C2 Ti1 O1 136.65(14) . . . . ?
C3 C2 Ti1 C15 -164.26(10) . . . . ?
C1 C2 Ti1 C15 79.43(10) . . . . ?
C6 C2 Ti1 C15 -45.61(16) . . . . ?
C3 C2 Ti1 C5 77.86(11) . . . . ?
C1 C2 Ti1 C5 -38.45(10) . . . . ?
C6 C2 Ti1 C5 -163.48(18) . . . . ?
C3 C2 Ti1 C14 160.56(10) . . . . ?
C1 C2 Ti1 C14 44.25(10) . . . . ?
C6 C2 Ti1 C14 -80.79(16) . . . . ?
C3 C2 Ti1 C4 36.40(10) . . . . ?
C1 C2 Ti1 C4 -79.91(11) . . . . ?
C6 C2 Ti1 C4 155.06(18) . . . . ?
C3 C2 Ti1 C18 146.92(10) . . . . ?
C1 C2 Ti1 C18 30.61(13) . . . . ?
C6 C2 Ti1 C18 -94.43(16) . . . . ?
C3 C2 Ti1 C1 116.31(14) . . . . ?
C6 C2 Ti1 C1 -125.0(2) . . . . ?
C1 C2 Ti1 C3 -116.31(14) . . . . ?
C6 C2 Ti1 C3 118.7(2) . . . . ?
C3 C2 Ti1 C16 -142.01(10) . . . . ?
C1 C2 Ti1 C16 101.68(10) . . . . ?
C6 C2 Ti1 C16 -23.35(18) . . . . ?
C3 C2 Ti1 C17 -165.87(12) . . . . ?
C1 C2 Ti1 C17 77.82(15) . . . . ?
C6 C2 Ti1 C17 -47.2(2) . . . . ?
C4 C3 Ti1 O3 -140.03(11) . . . . ?
C2 C3 Ti1 O3 103.45(10) . . . . ?
C7 C3 Ti1 O3 -18.77(15) . . . . ?
C4 C3 Ti1 O1 -49.99(11) . . . . ?
C2 C3 Ti1 O1 -166.51(10) . . . . ?
C7 C3 Ti1 O1 71.27(16) . . . . ?
C4 C3 Ti1 C15 136.40(10) . . . . ?
C2 C3 Ti1 C15 19.88(13) . . . . ?
C7 C3 Ti1 C15 -102.35(16) . . . . ?
C4 C3 Ti1 C5 37.32(10) . . . . ?
C2 C3 Ti1 C5 -79.20(11) . . . . ?
C7 C3 Ti1 C5 158.57(18) . . . . ?
C4 C3 Ti1 C14 90.40(12) . . . . ?
C2 C3 Ti1 C14 -26.12(13) . . . . ?
C7 C3 Ti1 C14 -148.34(14) . . . . ?
C2 C3 Ti1 C4 -116.52(15) . . . . ?
C7 C3 Ti1 C4 121.3(2) . . . . ?
C4 C3 Ti1 C18 45.17(18) . . . . ?
C2 C3 Ti1 C18 -71.35(17) . . . . ?
C7 C3 Ti1 C18 166.43(14) . . . . ?
C4 C3 Ti1 C1 79.59(11) . . . . ?
C2 C3 Ti1 C1 -36.93(10) . . . . ?
C7 C3 Ti1 C1 -159.16(17) . . . . ?
C4 C3 Ti1 C2 116.52(15) . . . . ?
C7 C3 Ti1 C2 -122.2(2) . . . . ?
C4 C3 Ti1 C16 -179.81(10) . . . . ?
C2 C3 Ti1 C16 63.67(15) . . . . ?
C7 C3 Ti1 C16 -58.6(2) . . . . ?
C4 C3 Ti1 C17 -113.3(4) . . . . ?
C2 C3 Ti1 C17 130.2(4) . . . . ?
C7 C3 Ti1 C17 8.0(5) . . . . ?
C17 C16 Ti1 O3 125.17(11) . . . . ?
C15 C16 Ti1 O3 -117.93(11) . . . . ?
C20 C16 Ti1 O3 0.31(14) . . . . ?
C17 C16 Ti1 O1 36.11(11) . . . . ?
C15 C16 Ti1 O1 153.01(10) . . . . ?
C20 C16 Ti1 O1 -88.74(15) . . . . ?
C17 C16 Ti1 C15 -116.90(15) . . . . ?
C20 C16 Ti1 C15 118.2(2) . . . . ?
C17 C16 Ti1 C5 -81.33(14) . . . . ?
C15 C16 Ti1 C5 35.57(16) . . . . ?
C20 C16 Ti1 C5 153.82(14) . . . . ?
C17 C16 Ti1 C14 -77.55(11) . . . . ?
C15 C16 Ti1 C14 39.35(10) . . . . ?
C20 C16 Ti1 C14 157.59(17) . . . . ?
C17 C16 Ti1 C4 162.1(16) . . . . ?
C15 C16 Ti1 C4 -81.0(16) . . . . ?
C20 C16 Ti1 C4 37.3(17) . . . . ?
C17 C16 Ti1 C18 -36.23(10) . . . . ?
C15 C16 Ti1 C18 80.67(11) . . . . ?
C20 C16 Ti1 C18 -161.08(17) . . . . ?
C17 C16 Ti1 C1 -118.58(11) . . . . ?
C15 C16 Ti1 C1 -1.68(13) . . . . ?
C20 C16 Ti1 C1 116.56(15) . . . . ?
C17 C16 Ti1 C2 -159.06(10) . . . . ?
C15 C16 Ti1 C2 -42.16(13) . . . . ?
C20 C16 Ti1 C2 76.08(16) . . . . ?
C17 C16 Ti1 C3 164.98(11) . . . . ?
C15 C16 Ti1 C3 -78.12(14) . . . . ?
C20 C16 Ti1 C3 40.1(2) . . . . ?
C15 C16 Ti1 C17 116.90(15) . . . . ?
C20 C16 Ti1 C17 -124.9(2) . . . . ?
C16 C17 Ti1 O3 -52.92(11) . . . . ?
C18 C17 Ti1 O3 -170.32(10) . . . . ?
C21 C17 Ti1 O3 69.15(16) . . . . ?
C16 C17 Ti1 O1 -143.89(11) . . . . ?
C18 C17 Ti1 O1 98.71(10) . . . . ?
C21 C17 Ti1 O1 -21.82(15) . . . . ?
C16 C17 Ti1 C15 37.14(10) . . . . ?
C18 C17 Ti1 C15 -80.26(11) . . . . ?
C21 C17 Ti1 C15 159.21(18) . . . . ?
C16 C17 Ti1 C5 133.89(10) . . . . ?
C18 C17 Ti1 C5 16.50(13) . . . . ?
C21 C17 Ti1 C5 -104.04(16) . . . . ?
C16 C17 Ti1 C14 79.94(11) . . . . ?
C18 C17 Ti1 C14 -37.46(9) . . . . ?
C21 C17 Ti1 C14 -157.99(18) . . . . ?
C16 C17 Ti1 C4 -178.74(11) . . . . ?
C18 C17 Ti1 C4 63.86(15) . . . . ?
C21 C17 Ti1 C4 -56.7(2) . . . . ?
C16 C17 Ti1 C18 117.40(15) . . . . ?
C21 C17 Ti1 C18 -120.53(19) . . . . ?
C16 C17 Ti1 C1 86.51(12) . . . . ?
C18 C17 Ti1 C1 -30.89(13) . . . . ?
C21 C17 Ti1 C1 -151.42(14) . . . . ?
C16 C17 Ti1 C2 39.07(17) . . . . ?
C18 C17 Ti1 C2 -78.33(15) . . . . ?
C21 C17 Ti1 C2 161.14(14) . . . . ?
C16 C17 Ti1 C3 -79.0(4) . . . . ?
C18 C17 Ti1 C3 163.6(3) . . . . ?
C21 C17 Ti1 C3 43.0(4) . . . . ?
C18 C17 Ti1 C16 -117.40(15) . . . . ?
C21 C17 Ti1 C16 122.1(2) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        28.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.415
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.062
