# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_mo_tt829_0m_a_tw
_database_code_depnum_ccdc_archive 'CCDC 2402241'
loop_
_audit_author_name
_audit_author_address
'Lutz Greb'
;Universitaet Heidelberg
Germany
;
_audit_update_record             
;
2024-11-13 deposited with the CCDC.	2024-11-28 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V143 by Daniel Kratzert, Freiburg 2024, 
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C28 H40 O4 Si'
_chemical_formula_moiety         'C28 H40 O4 Si'
_chemical_formula_weight         468.69
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'
_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.651(4)
_cell_length_b                   18.181(5)
_cell_length_c                   11.1582(19)
_cell_angle_alpha                90
_cell_angle_beta                 101.590(11)
_cell_angle_gamma                90
_cell_volume                     2712.8(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9897
_cell_measurement_theta_min      2.2405
_cell_measurement_theta_max      27.0005
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.148
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    0.116
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6683
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction: 
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_measurement_ambient_temperature_device_make 'Oxford Cryostream 700'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            6020
_diffrn_reflns_av_unetI/netI     0.0502
_diffrn_reflns_av_R_equivalents  0.0683
_diffrn_reflns_theta_min         2.174
_diffrn_reflns_theta_max         27.287
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             6020
_reflns_number_gt                4787
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_computing_data_collection       
'Bruker BIS V6.2.15/2021-03-15 and APEX4 2021.10-0'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1014P)²+1.4623P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         6020
_refine_ls_number_parameters     311
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0778
_refine_ls_R_factor_gt           0.0617
_refine_ls_wR_factor_ref         0.1797
_refine_ls_wR_factor_gt          0.1627
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.283
_refine_diff_density_min         -0.697
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_
_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
Si1 Si 0.73586(5) 0.25573(3) 0.60969(7) 0.02270(18) Uani 1 1 d . . . . .
O1 O 0.72258(12) 0.17789(9) 0.67840(17) 0.0235(4) Uani 1 1 d . . . . .
O2 O 0.62852(13) 0.25516(8) 0.51249(19) 0.0243(4) Uani 1 1 d . . . . .
O3 O 0.75333(13) 0.32942(9) 0.69609(17) 0.0252(4) Uani 1 1 d . . . . .
O4 O 0.83672(13) 0.26189(9) 0.55169(18) 0.0238(4) Uani 1 1 d . . . . .
C1 C 0.57379(17) 0.19371(12) 0.5372(2) 0.0214(5) Uani 1 1 d . . . . .
C2 C 0.47627(17) 0.17951(12) 0.4787(2) 0.0209(5) Uani 1 1 d . . . . .
C3 C 0.43695(18) 0.11512(12) 0.5194(2) 0.0237(5) Uani 1 1 d . . . . .
H3 H 0.370522 0.101310 0.482989 0.028 Uiso 1 1 calc R U . . .
C4 C 0.49070(17) 0.07049(13) 0.6108(2) 0.0226(5) Uani 1 1 d . . . . .
H4 H 0.459971 0.026870 0.632248 0.027 Uiso 1 1 calc R U . . .
C5 C 0.58767(17) 0.08684(12) 0.6724(2) 0.0206(5) Uani 1 1 d . . . . .
C6 C 0.62705(17) 0.14991(12) 0.6301(2) 0.0204(5) Uani 1 1 d . . . . .
C7 C 0.41874(19) 0.23121(13) 0.3822(2) 0.0237(5) Uani 1 1 d . . . . .
C8 C 0.4744(2) 0.24012(14) 0.2767(3) 0.0287(6) Uani 1 1 d . . . . .
H8A H 0.436979 0.273611 0.215324 0.043 Uiso 1 1 calc R U . . .
H8B H 0.480681 0.192065 0.239195 0.043 Uiso 1 1 calc R U . . .
H8C H 0.541147 0.260382 0.308167 0.043 Uiso 1 1 calc R U . . .
C9 C 0.64629(18) 0.04028(12) 0.7765(2) 0.0228(5) Uani 1 1 d . . . . .
C10 C 0.74111(19) 0.01016(13) 0.7398(3) 0.0282(5) Uani 1 1 d . . . . .
H10A H 0.776730 -0.021817 0.804907 0.042 Uiso 1 1 calc R U . . .
H10B H 0.784519 0.051178 0.727219 0.042 Uiso 1 1 calc R U . . .
H10C H 0.722608 -0.018107 0.663830 0.042 Uiso 1 1 calc R U . . .
C11 C 0.84159(17) 0.36388(13) 0.6793(2) 0.0226(5) Uani 1 1 d . . . . .
C12 C 0.88894(17) 0.32602(12) 0.5981(2) 0.0218(5) Uani 1 1 d . . . . .
C13 C 0.31285(19) 0.20266(14) 0.3302(3) 0.0294(6) Uani 1 1 d . . . . .
H13A H 0.277658 0.237806 0.269982 0.044 Uiso 1 1 calc R U . . .
H13B H 0.276251 0.196980 0.396687 0.044 Uiso 1 1 calc R U . . .
H13C H 0.317084 0.154968 0.290580 0.044 Uiso 1 1 calc R U . . .
C14 C 0.4074(2) 0.30711(13) 0.4401(3) 0.0284(5) Uani 1 1 d . . . . .
H14A H 0.372559 0.340794 0.377165 0.043 Uiso 1 1 calc R U . . .
H14B H 0.473664 0.326909 0.475342 0.043 Uiso 1 1 calc R U . . .
H14C H 0.368608 0.301765 0.504659 0.043 Uiso 1 1 calc R U . . .
C15 C 0.58306(19) -0.02453(13) 0.8076(3) 0.0283(5) Uani 1 1 d . . . . .
H15A H 0.623110 -0.054106 0.872963 0.042 Uiso 1 1 calc R U . . .
H15B H 0.561882 -0.055166 0.734696 0.042 Uiso 1 1 calc R U . . .
H15C H 0.523974 -0.005533 0.834769 0.042 Uiso 1 1 calc R U . . .
C16 C 0.6756(2) 0.08706(14) 0.8929(3) 0.0303(6) Uani 1 1 d . . . . .
H16A H 0.715309 0.057223 0.958190 0.045 Uiso 1 1 calc R U . . .
H16B H 0.615044 0.104394 0.918570 0.045 Uiso 1 1 calc R U . . .
H16C H 0.715199 0.129407 0.876086 0.045 Uiso 1 1 calc R U . . .
C17 C 0.87746(18) 0.42956(13) 0.7349(2) 0.0248(5) Uani 1 1 d . . . . .
C18 C 0.96590(19) 0.45348(14) 0.7027(3) 0.0300(6) Uani 1 1 d . . . . .
H18 H 0.995324 0.497875 0.737699 0.036 Uiso 1 1 calc R U . . .
C19 C 1.01322(19) 0.41555(14) 0.6216(3) 0.0306(6) Uani 1 1 d . . . . .
H19 H 1.073112 0.435332 0.603803 0.037 Uiso 1 1 calc R U . . .
C20 C 0.97640(17) 0.34981(13) 0.5656(2) 0.0243(5) Uani 1 1 d . . . . .
C21 C 0.8205(2) 0.47248(14) 0.8168(3) 0.0288(6) Uani 1 1 d . . . . .
C22 C 0.7203(2) 0.49750(16) 0.7394(3) 0.0373(7) Uani 1 1 d . . . . .
H22A H 0.685011 0.528122 0.789383 0.056 Uiso 1 1 calc R U . . .
H22B H 0.679487 0.454316 0.710153 0.056 Uiso 1 1 calc R U . . .
H22C H 0.732314 0.526058 0.669309 0.056 Uiso 1 1 calc R U . . .
C23 C 1.02718(18) 0.30812(14) 0.4751(3) 0.0266(5) Uani 1 1 d . . . . .
C24 C 0.9563(2) 0.30464(16) 0.3508(3) 0.0340(6) Uani 1 1 d . . . . .
H24A H 0.989032 0.278748 0.292559 0.051 Uiso 1 1 calc R U . . .
H24B H 0.939069 0.354670 0.321289 0.051 Uiso 1 1 calc R U . . .
H24C H 0.895344 0.278266 0.358770 0.051 Uiso 1 1 calc R U . . .
C25 C 0.8774(2) 0.54145(15) 0.8699(3) 0.0391(7) Uani 1 1 d . . . . .
H25A H 0.840369 0.566178 0.924988 0.059 Uiso 1 1 calc R U . . .
H25B H 0.884382 0.574859 0.803187 0.059 Uiso 1 1 calc R U . . .
H25C H 0.943839 0.527499 0.915463 0.059 Uiso 1 1 calc R U . . .
C26 C 0.8028(3) 0.42467(17) 0.9239(3) 0.0431(7) Uani 1 1 d . . . . .
H26A H 0.765480 0.453010 0.974607 0.065 Uiso 1 1 calc R U . . .
H26B H 0.867229 0.409546 0.973427 0.065 Uiso 1 1 calc R U . . .
H26C H 0.764204 0.380956 0.891929 0.065 Uiso 1 1 calc R U . . .
C27 C 1.12387(19) 0.34702(15) 0.4583(3) 0.0340(6) Uani 1 1 d . . . . .
H27A H 1.152793 0.320489 0.397232 0.051 Uiso 1 1 calc R U . . .
H27B H 1.171907 0.347697 0.536391 0.051 Uiso 1 1 calc R U . . .
H27C H 1.108356 0.397599 0.430448 0.051 Uiso 1 1 calc R U . . .
C28 C 1.0550(2) 0.23027(15) 0.5227(3) 0.0335(6) Uani 1 1 d . . . . .
H28A H 1.085788 0.203591 0.463480 0.050 Uiso 1 1 calc R U . . .
H28B H 0.994621 0.204277 0.533980 0.050 Uiso 1 1 calc R U . . .
H28C H 1.102450 0.233159 0.601180 0.050 Uiso 1 1 calc R U . . .


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
Si1 O1 1.6368(17) . ?
Si1 O2 1.638(2) . ?
Si1 O4 1.6385(19) . ?
Si1 O3 1.6398(18) . ?
O1 C6 1.403(3) . ?
O2 C1 1.402(3) . ?
O3 C11 1.404(3) . ?
O4 C12 1.410(3) . ?
C1 C2 1.384(3) . ?
C1 C6 1.391(3) . ?
C2 C3 1.401(3) . ?
C2 C7 1.523(3) . ?
C3 C4 1.391(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.395(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.388(3) . ?
C5 C9 1.528(3) . ?
C7 C8 1.533(4) . ?
C7 C13 1.536(3) . ?
C7 C14 1.545(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.535(3) . ?
C9 C16 1.537(4) . ?
C9 C15 1.541(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C17 1.389(3) . ?
C11 C12 1.395(3) . ?
C12 C20 1.385(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
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 C18 1.397(4) . ?
C17 C21 1.527(4) . ?
C18 C19 1.395(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.395(3) . ?
C19 H19 0.9500 . ?
C20 C23 1.535(4) . ?
C21 C25 1.530(4) . ?
C21 C22 1.533(4) . ?
C21 C26 1.536(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.524(4) . ?
C23 C28 1.532(4) . ?
C23 C27 1.542(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 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
O1 Si1 O2 97.83(9) . . ?
O1 Si1 O4 115.15(9) . . ?
O2 Si1 O4 116.72(11) . . ?
O1 Si1 O3 116.60(10) . . ?
O2 Si1 O3 113.54(9) . . ?
O4 Si1 O3 98.15(9) . . ?
C6 O1 Si1 108.40(14) . . ?
C1 O2 Si1 108.41(15) . . ?
C11 O3 Si1 108.27(15) . . ?
C12 O4 Si1 108.32(15) . . ?
C2 C1 C6 123.6(2) . . ?
C2 C1 O2 123.8(2) . . ?
C6 C1 O2 112.6(2) . . ?
C1 C2 C3 113.4(2) . . ?
C1 C2 C7 121.9(2) . . ?
C3 C2 C7 124.6(2) . . ?
C4 C3 C2 123.0(2) . . ?
C4 C3 H3 118.5 . . ?
C2 C3 H3 118.5 . . ?
C3 C4 C5 123.0(2) . . ?
C3 C4 H4 118.5 . . ?
C5 C4 H4 118.5 . . ?
C6 C5 C4 113.7(2) . . ?
C6 C5 C9 122.4(2) . . ?
C4 C5 C9 123.8(2) . . ?
C5 C6 C1 123.1(2) . . ?
C5 C6 O1 124.3(2) . . ?
C1 C6 O1 112.6(2) . . ?
C2 C7 C8 110.1(2) . . ?
C2 C7 C13 111.8(2) . . ?
C8 C7 C13 108.6(2) . . ?
C2 C7 C14 109.7(2) . . ?
C8 C7 C14 109.5(2) . . ?
C13 C7 C14 107.1(2) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C5 C9 C10 109.6(2) . . ?
C5 C9 C16 110.11(19) . . ?
C10 C9 C16 109.4(2) . . ?
C5 C9 C15 111.3(2) . . ?
C10 C9 C15 109.1(2) . . ?
C16 C9 C15 107.2(2) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C17 C11 C12 123.1(2) . . ?
C17 C11 O3 124.0(2) . . ?
C12 C11 O3 112.9(2) . . ?
C20 C12 C11 123.5(2) . . ?
C20 C12 O4 124.1(2) . . ?
C11 C12 O4 112.4(2) . . ?
C7 C13 H13A 109.5 . . ?
C7 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C7 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C7 C14 H14A 109.5 . . ?
C7 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C7 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C9 C15 H15A 109.5 . . ?
C9 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C9 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C9 C16 H16A 109.5 . . ?
C9 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C9 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C11 C17 C18 113.4(2) . . ?
C11 C17 C21 122.0(2) . . ?
C18 C17 C21 124.4(2) . . ?
C19 C18 C17 123.4(2) . . ?
C19 C18 H18 118.3 . . ?
C17 C18 H18 118.3 . . ?
C20 C19 C18 122.8(2) . . ?
C20 C19 H19 118.6 . . ?
C18 C19 H19 118.6 . . ?
C12 C20 C19 113.7(2) . . ?
C12 C20 C23 123.0(2) . . ?
C19 C20 C23 123.2(2) . . ?
C17 C21 C25 111.8(2) . . ?
C17 C21 C22 108.6(2) . . ?
C25 C21 C22 107.5(2) . . ?
C17 C21 C26 110.8(2) . . ?
C25 C21 C26 108.1(2) . . ?
C22 C21 C26 110.1(2) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C28 110.2(2) . . ?
C24 C23 C20 109.3(2) . . ?
C28 C23 C20 110.0(2) . . ?
C24 C23 C27 108.1(2) . . ?
C28 C23 C27 107.9(2) . . ?
C20 C23 C27 111.4(2) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25A 109.5 . . ?
C21 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C21 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C27 H27A 109.5 . . ?
C23 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C23 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?

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
O2 Si1 O1 C6 -3.57(17) . . . . ?
O4 Si1 O1 C6 -128.03(16) . . . . ?
O3 Si1 O1 C6 117.74(15) . . . . ?
O1 Si1 O2 C1 3.96(17) . . . . ?
O4 Si1 O2 C1 127.29(15) . . . . ?
O3 Si1 O2 C1 -119.60(16) . . . . ?
O1 Si1 O3 C11 124.99(15) . . . . ?
O2 Si1 O3 C11 -122.41(16) . . . . ?
O4 Si1 O3 C11 1.49(17) . . . . ?
O1 Si1 O4 C12 -125.96(15) . . . . ?
O2 Si1 O4 C12 120.16(16) . . . . ?
O3 Si1 O4 C12 -1.42(17) . . . . ?
Si1 O2 C1 C2 174.6(2) . . . . ?
Si1 O2 C1 C6 -3.2(2) . . . . ?
C6 C1 C2 C3 -1.9(3) . . . . ?
O2 C1 C2 C3 -179.5(2) . . . . ?
C6 C1 C2 C7 176.6(2) . . . . ?
O2 C1 C2 C7 -1.1(4) . . . . ?
C1 C2 C3 C4 0.7(3) . . . . ?
C7 C2 C3 C4 -177.8(2) . . . . ?
C2 C3 C4 C5 1.8(4) . . . . ?
C3 C4 C5 C6 -2.8(3) . . . . ?
C3 C4 C5 C9 177.3(2) . . . . ?
C4 C5 C6 C1 1.5(3) . . . . ?
C9 C5 C6 C1 -178.6(2) . . . . ?
C4 C5 C6 O1 179.3(2) . . . . ?
C9 C5 C6 O1 -0.8(4) . . . . ?
C2 C1 C6 C5 0.8(4) . . . . ?
O2 C1 C6 C5 178.7(2) . . . . ?
C2 C1 C6 O1 -177.1(2) . . . . ?
O2 C1 C6 O1 0.7(3) . . . . ?
Si1 O1 C6 C5 -175.81(19) . . . . ?
Si1 O1 C6 C1 2.1(2) . . . . ?
C1 C2 C7 C8 58.5(3) . . . . ?
C3 C2 C7 C8 -123.3(3) . . . . ?
C1 C2 C7 C13 179.3(2) . . . . ?
C3 C2 C7 C13 -2.4(3) . . . . ?
C1 C2 C7 C14 -62.1(3) . . . . ?
C3 C2 C7 C14 116.2(3) . . . . ?
C6 C5 C9 C10 -61.4(3) . . . . ?
C4 C5 C9 C10 118.5(2) . . . . ?
C6 C5 C9 C16 59.0(3) . . . . ?
C4 C5 C9 C16 -121.1(3) . . . . ?
C6 C5 C9 C15 177.8(2) . . . . ?
C4 C5 C9 C15 -2.3(3) . . . . ?
Si1 O3 C11 C17 177.5(2) . . . . ?
Si1 O3 C11 C12 -1.1(2) . . . . ?
C17 C11 C12 C20 0.4(4) . . . . ?
O3 C11 C12 C20 179.0(2) . . . . ?
C17 C11 C12 O4 -178.5(2) . . . . ?
O3 C11 C12 O4 0.1(3) . . . . ?
Si1 O4 C12 C20 -178.0(2) . . . . ?
Si1 O4 C12 C11 0.9(2) . . . . ?
C12 C11 C17 C18 -0.6(4) . . . . ?
O3 C11 C17 C18 -179.1(2) . . . . ?
C12 C11 C17 C21 175.9(2) . . . . ?
O3 C11 C17 C21 -2.6(4) . . . . ?
C11 C17 C18 C19 0.5(4) . . . . ?
C21 C17 C18 C19 -175.9(3) . . . . ?
C17 C18 C19 C20 -0.2(4) . . . . ?
C11 C12 C20 C19 0.0(4) . . . . ?
O4 C12 C20 C19 178.7(2) . . . . ?
C11 C12 C20 C23 -179.3(2) . . . . ?
O4 C12 C20 C23 -0.5(4) . . . . ?
C18 C19 C20 C12 0.0(4) . . . . ?
C18 C19 C20 C23 179.2(3) . . . . ?
C11 C17 C21 C25 178.2(2) . . . . ?
C18 C17 C21 C25 -5.7(4) . . . . ?
C11 C17 C21 C22 -63.4(3) . . . . ?
C18 C17 C21 C22 112.7(3) . . . . ?
C11 C17 C21 C26 57.7(3) . . . . ?
C18 C17 C21 C26 -126.3(3) . . . . ?
C12 C20 C23 C24 61.5(3) . . . . ?
C19 C20 C23 C24 -117.7(3) . . . . ?
C12 C20 C23 C28 -59.6(3) . . . . ?
C19 C20 C23 C28 121.2(3) . . . . ?
C12 C20 C23 C27 -179.2(2) . . . . ?
C19 C20 C23 C27 1.6(4) . . . . ?

