#------------------------------------------------------------------------------
#$Date: 2023-05-05 03:54:54 +0300 (Fri, 05 May 2023) $
#$Revision: 283152 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/80/1568037.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1568037
loop_
_publ_author_name
'Antico, Emanuele'
'Leutzsch, Markus'
'Wessel, Niklas'
'Weyhermüller, Thomas'
'Werlé, Christophe'
'Leitner, Walter'
_publ_section_title
;
 Selective oxidation of silanes into silanols with water using
 [MnBr(CO)₅] as a precatalyst.
;
_journal_issue                   1
_journal_name_full               'Chemical science'
_journal_page_first              54
_journal_page_last               60
_journal_paper_doi               10.1039/d2sc05959b
_journal_volume                  14
_journal_year                    2022
_chemical_formula_moiety         'C16 H22 O3 Si2'
_chemical_formula_sum            'C16 H22 O3 Si2'
_chemical_formula_weight         318.52
_chemical_name_common            WLG-EA-494-02
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'APEX4 v2021.4-1'
_audit_update_record
;
2022-07-14 deposited with the CCDC.	2022-11-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.735(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.9559(7)
_cell_length_b                   10.4977(6)
_cell_length_c                   28.982(2)
_cell_measurement_reflns_used    9678
_cell_measurement_temperature    85(2)
_cell_measurement_theta_max      30.9790
_cell_measurement_theta_min      2.3999
_cell_volume                     3922.0(4)
_computing_cell_refinement       'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.15'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 1242)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      85(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'KAPPA diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'multilayer mirror'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0420
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            112870
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         31.08
_diffrn_reflns_theta_min         2.06
_diffrn_source                   'microfocus sealed tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_type              'INCOATEC I\mS DIAMOND'
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    0.187
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.88
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for
single-crystal structure determination"
J. Appl. Cryst. 48, 3-10.
doi:10.1107/S1600576714022985
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.079
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1360
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: chloroform'
_exptl_crystal_size_max          0.155
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.035
_refine_diff_density_max         0.943
_refine_diff_density_min         -0.357
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         12536
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0530
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0613P)²+3.5001P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1353
_refine_ls_wR_factor_ref         0.1426
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10539
_reflns_number_total             12536
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc05959b2.cif
_cod_data_source_block           CEC0160_85
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1568035--1568037.cif.

 Adding full bibliography for 1568035--1568037.cif.
;
_cod_database_code               1568037
loop_
_space_group_symop_operation_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'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si Si1 0.09380(4) 0.87814(4) 0.43763(2) 0.02437(10) Uani d . . . 1 . .
Si Si2 0.29472(4) 0.83661(4) 0.08007(2) 0.02199(9) Uani d . . . 1 . .
Si Si3 0.41501(4) 0.86810(4) 0.55882(2) 0.02155(9) Uani d . . . 1 . .
Si Si4 0.20503(4) 0.82594(4) 0.91081(2) 0.02396(10) Uani d . . . 1 . .
O O1 0.22783(12) 0.61467(11) 0.26730(4) 0.0321(3) Uani d . . . 1 . .
O O2 0.28884(13) 0.71624(12) 0.04351(4) 0.0347(3) Uani d . . . 1 . .
H H2O 0.267706 0.742246 0.016816 0.052000 Uiso calc U . R 1 . .
O O3 0.19031(10) 0.96187(11) 0.46369(4) 0.0271(2) Uani d . . . 1 . .
H H3O 0.185602 1.037769 0.454539 0.041000 Uiso calc U . R 1 . .
O O4 0.34241(13) 0.59240(12) 0.73574(4) 0.0342(3) Uani d . . . 1 . .
O O5 0.31817(11) 0.96603(12) 0.54331(4) 0.0281(3) Uani d . . . 1 . .
H H5O 0.285391 0.939782 0.518671 0.042000 Uiso calc U . R 1 . .
O O6 0.22384(13) 0.71922(12) 0.95273(4) 0.0339(3) Uani d . . . 1 . .
H H6O 0.193751 0.651016 0.944275 0.051000 Uiso calc U . R 1 . .
C C1 0.13599(13) 0.81007(14) 0.38261(5) 0.0215(3) Uani d . . . 1 . .
C C2 0.06451(14) 0.78054(17) 0.34462(6) 0.0281(3) Uani d . . . 1 . .
H H2 -0.006377 0.802480 0.345581 0.034000 Uiso calc U . R 1 . .
C C3 0.09509(15) 0.71952(17) 0.30532(6) 0.0294(3) Uani d . . . 1 . .
H H3 0.045407 0.699793 0.279967 0.035000 Uiso calc U . R 1 . .
C C4 0.19760(15) 0.68836(14) 0.30371(5) 0.0250(3) Uani d . . . 1 . .
C C5 0.27122(15) 0.71921(17) 0.33973(6) 0.0286(3) Uani d . . . 1 . .
H H5 0.342255 0.699170 0.338060 0.034000 Uiso calc U . R 1 . .
C C6 0.23934(14) 0.78040(16) 0.37865(6) 0.0267(3) Uani d . . . 1 . .
H H6 0.290045 0.802560 0.403308 0.032000 Uiso calc U . R 1 . .
C C7 0.0685(3) 0.7461(2) 0.47773(8) 0.0578(8) Uani d . . . 1 . .
H H7A 0.013501 0.691153 0.463052 0.087000 Uiso calc U . R 1 . .
H H7B 0.046730 0.781406 0.506512 0.087000 Uiso calc U . R 1 . .
H H7C 0.131973 0.695970 0.484750 0.087000 Uiso calc U . R 1 . .
C C8 -0.02090(17) 0.9819(3) 0.42474(9) 0.0491(6) Uani d . . . 1 . .
H H8A -0.077624 0.932379 0.408586 0.074000 Uiso calc U . R 1 . .
H H8B -0.003064 1.052773 0.405025 0.074000 Uiso calc U . R 1 . .
H H8C -0.042778 1.015393 0.453786 0.074000 Uiso calc U . R 1 . .
C C9 0.27165(13) 0.76902(14) 0.13750(5) 0.0204(3) Uani d . . . 1 . .
C C10 0.24446(14) 0.84739(14) 0.17328(5) 0.0242(3) Uani d . . . 1 . .
H H10 0.236687 0.936194 0.167645 0.029000 Uiso calc U . R 1 . .
C C11 0.22831(14) 0.80037(14) 0.21689(5) 0.0232(3) Uani d . . . 1 . .
H H11 0.210076 0.856167 0.240572 0.028000 Uiso calc U . R 1 . .
C C12 0.23925(14) 0.67123(14) 0.22516(5) 0.0224(3) Uani d . . . 1 . .
C C13 0.26401(18) 0.58977(16) 0.19028(6) 0.0340(4) Uani d . . . 1 . .
H H13 0.269845 0.500775 0.195878 0.041000 Uiso calc U . R 1 . .
C C14 0.28019(17) 0.63873(15) 0.14721(6) 0.0295(4) Uani d . . . 1 . .
H H14 0.297598 0.582194 0.123596 0.035000 Uiso calc U . R 1 . .
C C15 0.42370(18) 0.9131(2) 0.08199(8) 0.0428(5) Uani d . . . 1 . .
H H15A 0.425818 0.987248 0.102594 0.064000 Uiso calc U . R 1 . .
H H15B 0.436319 0.940463 0.050717 0.064000 Uiso calc U . R 1 . .
H H15C 0.477288 0.852028 0.093668 0.064000 Uiso calc U . R 1 . .
C C16 0.19177(19) 0.95434(19) 0.06134(7) 0.0388(5) Uani d . . . 1 . .
H H16A 0.197474 1.027677 0.082364 0.058000 Uiso calc U . R 1 . .
H H16B 0.123509 0.914597 0.062059 0.058000 Uiso calc U . R 1 . .
H H16C 0.200071 0.982818 0.029719 0.058000 Uiso calc U . R 1 . .
C C21 0.39027(14) 0.79104(14) 0.61459(5) 0.0223(3) Uani d . . . 1 . .
C C22 0.47244(15) 0.73199(18) 0.64199(6) 0.0299(3) Uani d . . . 1 . .
H H22 0.540441 0.735853 0.632470 0.036000 Uiso calc U . R 1 . .
C C23 0.45632(15) 0.66802(18) 0.68274(6) 0.0308(4) Uani d . . . 1 . .
H H23 0.512405 0.627696 0.700697 0.037000 Uiso calc U . R 1 . .
C C24 0.35724(15) 0.66416(15) 0.69664(5) 0.0270(3) Uani d . . . 1 . .
C C25 0.27460(15) 0.72122(17) 0.67056(6) 0.0301(4) Uani d . . . 1 . .
H H25 0.206955 0.717791 0.680483 0.036000 Uiso calc U . R 1 . .
C C26 0.29160(14) 0.78382(16) 0.62955(6) 0.0267(3) Uani d . . . 1 . .
H H26 0.234763 0.822291 0.611485 0.032000 Uiso calc U . R 1 . .
C C27 0.53747(16) 0.9598(2) 0.56778(7) 0.0383(4) Uani d . . . 1 . .
H H27A 0.593251 0.904170 0.581303 0.057000 Uiso calc U . R 1 . .
H H27B 0.528679 1.031144 0.588854 0.057000 Uiso calc U . R 1 . .
H H27C 0.555297 0.992679 0.537939 0.057000 Uiso calc U . R 1 . .
C C28 0.4187(2) 0.74355(19) 0.51326(6) 0.0389(5) Uani d . . . 1 . .
H H28A 0.470752 0.679177 0.523587 0.058000 Uiso calc U . R 1 . .
H H28B 0.436915 0.782836 0.484488 0.058000 Uiso calc U . R 1 . .
H H28C 0.350430 0.703095 0.507736 0.058000 Uiso calc U . R 1 . .
C C29 0.24908(13) 0.75738(15) 0.85664(5) 0.0222(3) Uani d . . . 1 . .
C C30 0.28030(14) 0.83454(15) 0.82122(6) 0.0247(3) Uani d . . . 1 . .
H H30 0.280869 0.924309 0.825387 0.030000 Uiso calc U . R 1 . .
C C31 0.31062(14) 0.78491(15) 0.78004(5) 0.0239(3) Uani d . . . 1 . .
H H31 0.330769 0.839826 0.756478 0.029000 Uiso calc U . R 1 . .
C C32 0.31079(14) 0.65322(16) 0.77412(5) 0.0242(3) Uani d . . . 1 . .
C C33 0.28092(15) 0.57304(16) 0.80860(6) 0.0265(3) Uani d . . . 1 . .
H H33 0.281582 0.483277 0.804478 0.032000 Uiso calc U . R 1 . .
C C34 0.25013(13) 0.62505(16) 0.84907(5) 0.0243(3) Uani d . . . 1 . .
H H34 0.229160 0.569694 0.872333 0.029000 Uiso calc U . R 1 . .
C C35 0.2844(2) 0.96723(19) 0.92954(7) 0.0419(5) Uani d . . . 1 . .
H H35A 0.275436 1.033071 0.905503 0.063000 Uiso calc U . R 1 . .
H H35B 0.357625 0.942730 0.934509 0.063000 Uiso calc U . R 1 . .
H H35C 0.261962 1.000559 0.958516 0.063000 Uiso calc U . R 1 . .
C C36 0.06540(18) 0.8660(3) 0.90128(8) 0.0462(6) Uani d . . . 1 . .
H H36A 0.053886 0.926668 0.875589 0.069000 Uiso calc U . R 1 . .
H H36B 0.043125 0.904168 0.929512 0.069000 Uiso calc U . R 1 . .
H H36C 0.025262 0.788332 0.893707 0.069000 Uiso calc U . R 1 . .
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O3 Si1 C8 . . 109.62(9) ?
O3 Si1 C7 . . 106.52(11) ?
C8 Si1 C7 . . 112.15(14) ?
O3 Si1 C1 . . 108.67(7) ?
C8 Si1 C1 . . 110.40(9) ?
C7 Si1 C1 . . 109.35(9) ?
O2 Si2 C15 . . 109.63(10) ?
O2 Si2 C16 . . 109.67(9) ?
C15 Si2 C16 . . 109.87(11) ?
O2 Si2 C9 . . 106.38(7) ?
C15 Si2 C9 . . 111.35(9) ?
C16 Si2 C9 . . 109.88(8) ?
O5 Si3 C27 . . 109.38(9) ?
O5 Si3 C28 . . 108.49(9) ?
C27 Si3 C28 . . 112.46(11) ?
O5 Si3 C21 . . 108.35(7) ?
C27 Si3 C21 . . 108.86(8) ?
C28 Si3 C21 . . 109.21(8) ?
O6 Si4 C36 . . 109.50(10) ?
O6 Si4 C35 . . 106.88(9) ?
C36 Si4 C35 . . 111.52(13) ?
O6 Si4 C29 . . 108.77(7) ?
C36 Si4 C29 . . 109.78(9) ?
C35 Si4 C29 . . 110.32(9) ?
C12 O1 C4 . . 119.60(12) ?
C32 O4 C24 . . 118.87(13) ?
C6 C1 C2 . . 116.87(15) ?
C6 C1 Si1 . . 121.31(12) ?
C2 C1 Si1 . . 121.74(13) ?
C3 C2 C1 . . 121.53(17) ?
C4 C3 C2 . . 119.38(16) ?
C3 C4 C5 . . 121.07(15) ?
C3 C4 O1 . . 120.21(16) ?
C5 C4 O1 . . 118.49(17) ?
C4 C5 C6 . . 118.76(17) ?
C1 C6 C5 . . 122.33(16) ?
C10 C9 C14 . . 116.59(14) ?
C10 C9 Si2 . . 120.97(11) ?
C14 C9 Si2 . . 122.44(12) ?
C11 C10 C9 . . 122.50(14) ?
C12 C11 C10 . . 118.91(14) ?
O1 C12 C11 . . 123.91(14) ?
O1 C12 C13 . . 115.69(14) ?
C11 C12 C13 . . 120.40(14) ?
C14 C13 C12 . . 119.69(15) ?
C13 C14 C9 . . 121.89(15) ?
C26 C21 C22 . . 117.82(15) ?
C26 C21 Si3 . . 122.46(13) ?
C22 C21 Si3 . . 119.65(13) ?
C23 C22 C21 . . 121.47(17) ?
C24 C23 C22 . . 118.89(17) ?
C25 C24 C23 . . 121.19(16) ?
C25 C24 O4 . . 121.17(17) ?
C23 C24 O4 . . 117.45(17) ?
C24 C25 C26 . . 119.34(17) ?
C21 C26 C25 . . 121.28(17) ?
C30 C29 C34 . . 116.72(15) ?
C30 C29 Si4 . . 121.93(12) ?
C34 C29 Si4 . . 121.34(12) ?
C31 C30 C29 . . 122.59(15) ?
C32 C31 C30 . . 118.71(14) ?
O4 C32 C33 . . 115.18(14) ?
O4 C32 C31 . . 124.25(14) ?
C33 C32 C31 . . 120.54(15) ?
C34 C33 C32 . . 119.55(15) ?
C33 C34 C29 . . 121.89(15) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Si1 O3 . 1.6485(13) ?
Si1 C8 . 1.850(2) ?
Si1 C7 . 1.859(2) ?
Si1 C1 . 1.8778(16) ?
Si2 O2 . 1.6460(13) ?
Si2 C15 . 1.850(2) ?
Si2 C16 . 1.859(2) ?
Si2 C9 . 1.8606(16) ?
Si3 O5 . 1.6494(13) ?
Si3 C27 . 1.852(2) ?
Si3 C28 . 1.8622(19) ?
Si3 C21 . 1.8635(16) ?
Si4 O6 . 1.6526(13) ?
Si4 C36 . 1.851(2) ?
Si4 C35 . 1.855(2) ?
Si4 C29 . 1.8676(17) ?
O1 C12 . 1.3791(18) ?
O1 C4 . 1.3957(19) ?
O4 C32 . 1.380(2) ?
O4 C24 . 1.3901(19) ?
C1 C6 . 1.391(2) ?
C1 C2 . 1.401(2) ?
C2 C3 . 1.398(2) ?
C3 C4 . 1.373(3) ?
C4 C5 . 1.380(2) ?
C5 C6 . 1.396(2) ?
C9 C10 . 1.396(2) ?
C9 C14 . 1.399(2) ?
C10 C11 . 1.392(2) ?
C11 C12 . 1.382(2) ?
C12 C13 . 1.386(2) ?
C13 C14 . 1.385(2) ?
C21 C26 . 1.392(2) ?
C21 C22 . 1.407(2) ?
C22 C23 . 1.392(2) ?
C23 C24 . 1.384(3) ?
C24 C25 . 1.384(3) ?
C25 C26 . 1.395(2) ?
C29 C30 . 1.399(2) ?
C29 C34 . 1.407(2) ?
C30 C31 . 1.394(2) ?
C31 C32 . 1.393(2) ?
C32 C33 . 1.391(2) ?
C33 C34 . 1.388(2) ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O3 Si1 C1 C6 . . . . 29.91(15) ?
C8 Si1 C1 C6 . . . . 150.16(15) ?
C7 Si1 C1 C6 . . . . -85.99(18) ?
O3 Si1 C1 C2 . . . . -153.53(14) ?
C8 Si1 C1 C2 . . . . -33.28(18) ?
C7 Si1 C1 C2 . . . . 90.57(18) ?
C6 C1 C2 C3 . . . . 2.5(3) ?
Si1 C1 C2 C3 . . . . -174.24(14) ?
C1 C2 C3 C4 . . . . -0.4(3) ?
C2 C3 C4 C5 . . . . -1.7(3) ?
C2 C3 C4 O1 . . . . 172.62(15) ?
C12 O1 C4 C3 . . . . 79.9(2) ?
C12 O1 C4 C5 . . . . -105.63(19) ?
C3 C4 C5 C6 . . . . 1.5(3) ?
O1 C4 C5 C6 . . . . -172.87(15) ?
C2 C1 C6 C5 . . . . -2.6(2) ?
Si1 C1 C6 C5 . . . . 174.08(13) ?
C4 C5 C6 C1 . . . . 0.7(3) ?
O2 Si2 C9 C10 . . . . -162.98(14) ?
C15 Si2 C9 C10 . . . . 77.63(17) ?
C16 Si2 C9 C10 . . . . -44.33(17) ?
O2 Si2 C9 C14 . . . . 16.90(18) ?
C15 Si2 C9 C14 . . . . -102.49(17) ?
C16 Si2 C9 C14 . . . . 135.55(16) ?
C14 C9 C10 C11 . . . . 1.2(3) ?
Si2 C9 C10 C11 . . . . -178.91(14) ?
C9 C10 C11 C12 . . . . -0.2(3) ?
C4 O1 C12 C11 . . . . 3.9(3) ?
C4 O1 C12 C13 . . . . -176.67(18) ?
C10 C11 C12 O1 . . . . 178.23(17) ?
C10 C11 C12 C13 . . . . -1.2(3) ?
O1 C12 C13 C14 . . . . -177.97(19) ?
C11 C12 C13 C14 . . . . 1.5(3) ?
C12 C13 C14 C9 . . . . -0.4(3) ?
C10 C9 C14 C13 . . . . -0.9(3) ?
Si2 C9 C14 C13 . . . . 179.23(16) ?
O5 Si3 C21 C26 . . . . 21.10(15) ?
C27 Si3 C21 C26 . . . . 139.97(15) ?
C28 Si3 C21 C26 . . . . -96.89(16) ?
O5 Si3 C21 C22 . . . . -162.08(13) ?
C27 Si3 C21 C22 . . . . -43.21(17) ?
C28 Si3 C21 C22 . . . . 79.93(16) ?
C26 C21 C22 C23 . . . . 0.1(3) ?
Si3 C21 C22 C23 . . . . -176.84(14) ?
C21 C22 C23 C24 . . . . -0.8(3) ?
C22 C23 C24 C25 . . . . 0.7(3) ?
C22 C23 C24 O4 . . . . 175.78(16) ?
C32 O4 C24 C25 . . . . -67.6(2) ?
C32 O4 C24 C23 . . . . 117.37(19) ?
C23 C24 C25 C26 . . . . -0.1(3) ?
O4 C24 C25 C26 . . . . -174.91(15) ?
C22 C21 C26 C25 . . . . 0.6(2) ?
Si3 C21 C26 C25 . . . . 177.45(13) ?
C24 C25 C26 C21 . . . . -0.6(3) ?
O6 Si4 C29 C30 . . . . -155.24(14) ?
C36 Si4 C29 C30 . . . . 84.97(17) ?
C35 Si4 C29 C30 . . . . -38.31(17) ?
O6 Si4 C29 C34 . . . . 26.25(16) ?
C36 Si4 C29 C34 . . . . -93.54(16) ?
C35 Si4 C29 C34 . . . . 143.18(15) ?
C34 C29 C30 C31 . . . . 0.4(3) ?
Si4 C29 C30 C31 . . . . -178.17(13) ?
C29 C30 C31 C32 . . . . -0.6(3) ?
C24 O4 C32 C33 . . . . 169.58(17) ?
C24 O4 C32 C31 . . . . -12.4(3) ?
C30 C31 C32 O4 . . . . -177.72(17) ?
C30 C31 C32 C33 . . . . 0.2(3) ?
O4 C32 C33 C34 . . . . 178.51(16) ?
C31 C32 C33 C34 . . . . 0.4(3) ?
C32 C33 C34 C29 . . . . -0.6(3) ?
C30 C29 C34 C33 . . . . 0.2(3) ?
Si4 C29 C34 C33 . . . . 178.82(14) ?
