data_mo_D8V5319_0m-1
_audit_creation_method
;FinalCif V125 by Daniel Kratzert, Freiburg 2023, 
https://dkratzert.de/finalcif.html
;
_audit_contact_author_address
;Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100
 Copenhagen Ø, Denmark
;
_audit_contact_author_email       vbrp@chem.ku.dk
_audit_contact_author_name        'Viktor B. R. Pedersen'
_publ_contact_author_id_orcid     0000-0003-0661-6351
_publ_section_references
;Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.
Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_shelx_SHELXL_version_number      '2019/2'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_formula_sum             'C74 H110 Si4'
_chemical_formula_moiety          'C74 H110 Si4'
_chemical_formula_weight          1111.97
_chemical_melting_point           ?
_space_group_crystal_system       monoclinic
_space_group_IT_number            14
_vrf_PLAT220_mo_D8V5319_0m-1
;
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range        6.3 Ratio 
RESPONSE: This alert arises due to the disordered Si-trisisopropyl-groups, 
but does not mean that the atoms were incorrectly identified. 

;
_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                    17.1710(13)
_cell_length_b                    12.6070(11)
_cell_length_c                    18.4564(15)
_cell_angle_alpha                 90
_cell_angle_beta                  117.037(3)
_cell_angle_gamma                 90
_cell_volume                      3558.7(5)
_cell_formula_units_Z             2
_cell_measurement_temperature     100(2)
_cell_measurement_reflns_used     9918
_cell_measurement_theta_min       2.2165
_cell_measurement_theta_max       27.1385
_exptl_crystal_description        Prism
_exptl_crystal_colour             red
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.038
_exptl_crystal_F_000              1220
_exptl_crystal_size_max           0.193
_exptl_crystal_size_mid           0.119
_exptl_crystal_size_min           0.102
_exptl_absorpt_coefficient_mu     0.121
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.7006
_exptl_absorpt_correction_T_max   0.7456
_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    0.977
_shelx_estimated_absorpt_T_max    0.988
_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 800'
_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            1.0
_diffrn_detector                  CPAD
_diffrn_detector_type             'Bruker PHOTON II'
_diffrn_detector_area_resol_mean  7.41
_diffrn_measurement_device        'three-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             66001
_diffrn_reflns_av_unetI/netI      0.0416
_diffrn_reflns_av_R_equivalents   0.0889
_diffrn_reflns_theta_min          2.036
_diffrn_reflns_theta_max          26.732
_diffrn_reflns_theta_full         25.242
_diffrn_reflns_limit_h_min        -21
_diffrn_reflns_limit_h_max        21
_diffrn_reflns_limit_k_min        -15
_diffrn_reflns_limit_k_max        15
_diffrn_reflns_limit_l_min        -23
_diffrn_reflns_limit_l_max        23
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total              7555
_reflns_number_gt                 5651
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
_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        'Bruker BIS V6.2.14/2020-04-30'
_computing_cell_refinement        'SAINT V8.40A'
_computing_data_reduction         'SAINT V8.40A'
_computing_structure_solution     'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement   'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details      'w=1/[σ²(Fo²)+(0.0445P)²+2.4360P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    mixed
_refine_ls_hydrogen_treatment     mixed
_refine_ls_number_reflns          7555
_refine_ls_number_parameters      495
_refine_ls_number_restraints      180
_refine_ls_R_factor_all           0.0766
_refine_ls_R_factor_gt            0.0505
_refine_ls_wR_factor_ref          0.1236
_refine_ls_wR_factor_gt           0.1116
_refine_ls_goodness_of_fit_ref    1.056
_refine_ls_restrained_S_all       1.085
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_diff_density_max          0.407
_refine_diff_density_min          -0.391
_refine_diff_density_rms          0.047
_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'
'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'

_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
C1 C 0.10143(11) 0.31813(14) 0.51153(11) 0.0185(4) Uani 1 1 d . . . . .
Si2 Si 0.38701(3) 0.59837(4) 0.77968(3) 0.02454(14) Uani 1 1 d . . . . .
C2 C 0.03976(11) 0.24713(13) 0.45658(10) 0.0164(4) Uani 1 1 d . . . . .
C3 C 0.06520(13) 0.14571(14) 0.44642(11) 0.0202(4) Uani 1 1 d . . . . .
H1C H 0.0229(14) 0.0996(17) 0.4096(13) 0.030 Uiso 1 1 d . U . . .
C4 C 0.15256(13) 0.11411(14) 0.49002(11) 0.0234(4) Uani 1 1 d . . . . .
C5 C 0.21203(14) 0.18690(17) 0.54253(13) 0.0303(5) Uani 1 1 d . . . . .
H1B H 0.2710(16) 0.1674(19) 0.5704(15) 0.045 Uiso 1 1 d . U . . .
C6 C 0.18773(13) 0.28850(16) 0.55375(13) 0.0284(4) Uani 1 1 d . . . . .
H1 H 0.2301(16) 0.3350(19) 0.5923(14) 0.043 Uiso 1 1 d . U . . .
C7 C 0.05680(11) 0.41734(13) 0.51183(10) 0.0167(4) Uani 1 1 d . . . . .
C8 C 0.03246(11) 0.59339(13) 0.54361(10) 0.0162(3) Uani 1 1 d . . . . .
C9 C 0.04599(11) 0.69892(13) 0.58181(11) 0.0164(4) Uani 1 1 d . . . . .
C10 C 0.12129(11) 0.73580(14) 0.64396(11) 0.0190(4) Uani 1 1 d . . . . .
C11 C 0.12931(12) 0.83560(15) 0.68468(12) 0.0236(4) Uani 1 1 d . . . . .
C12 C 0.14696(13) 0.91324(16) 0.72614(13) 0.0304(5) Uani 1 1 d D . . . .
C15 C 0.17895(15) 0.00121(15) 0.47813(13) 0.0311(5) Uani 1 1 d D U . . .
C17 C 0.09023(11) 0.50995(14) 0.55550(11) 0.0181(4) Uani 1 1 d . . . . .
H1AA H 0.1491(14) 0.5164(16) 0.5911(13) 0.027 Uiso 1 1 d . U . . .
C18 C 0.20237(12) 0.67874(15) 0.67912(11) 0.0223(4) Uani 1 1 d . . . . .
C19 C 0.27379(12) 0.64176(15) 0.71509(12) 0.0259(4) Uani 1 1 d . . . . .
C20 C 0.44068(14) 0.5768(2) 0.71240(14) 0.0387(5) Uani 1 1 d . . . . .
H20 H 0.502545 0.555043 0.747880 0.046 Uiso 1 1 calc R U . . .
C21 C 0.4430(2) 0.6795(3) 0.67013(19) 0.0658(8) Uani 1 1 d . . . . .
H21A H 0.471623 0.666899 0.635544 0.099 Uiso 1 1 calc R U . . .
H21B H 0.475644 0.733347 0.711049 0.099 Uiso 1 1 calc R U . . .
H21C H 0.383108 0.704486 0.636566 0.099 Uiso 1 1 calc R U . . .
C29 C 0.38165(15) 0.47717(17) 0.83689(14) 0.0366(5) Uani 1 1 d . . . . .
H29 H 0.363467 0.502743 0.878219 0.044 Uiso 1 1 calc R U . . .
C30 C 0.31338(18) 0.3960(2) 0.78506(17) 0.0537(7) Uani 1 1 d . . . . .
H30A H 0.257123 0.431561 0.753830 0.081 Uiso 1 1 calc R U . . .
H30B H 0.307234 0.342063 0.820373 0.081 Uiso 1 1 calc R U . . .
H30C H 0.331825 0.362025 0.747603 0.081 Uiso 1 1 calc R U . . .
C31 C 0.43939(15) 0.71311(19) 0.85077(14) 0.0425(6) Uani 1 1 d . . . . .
H31 H 0.426723 0.777801 0.815871 0.051 Uiso 1 1 calc R U . . .
C32 C 0.39801(18) 0.7320(2) 0.90777(16) 0.0598(8) Uani 1 1 d . . . . .
H32A H 0.334761 0.741452 0.875504 0.090 Uiso 1 1 calc R U . . .
H32B H 0.423351 0.795854 0.940319 0.090 Uiso 1 1 calc R U . . .
H32C H 0.409460 0.670809 0.943948 0.090 Uiso 1 1 calc R U . . .
C33 C 0.39781(18) 0.4895(3) 0.64939(16) 0.0567(8) Uani 1 1 d . . . . .
H33A H 0.335784 0.506079 0.616161 0.085 Uiso 1 1 calc R U . . .
H33B H 0.403333 0.421558 0.677161 0.085 Uiso 1 1 calc R U . . .
H33C H 0.426764 0.484665 0.614384 0.085 Uiso 1 1 calc R U . . .
C36 C 0.47032(18) 0.4244(2) 0.88450(19) 0.0636(8) Uani 1 1 d . . . . .
H36A H 0.493002 0.401814 0.846882 0.095 Uiso 1 1 calc R U . . .
H36B H 0.463983 0.362435 0.913455 0.095 Uiso 1 1 calc R U . . .
H36C H 0.511067 0.474929 0.923804 0.095 Uiso 1 1 calc R U . . .
C37 C 0.53924(17) 0.7044(2) 0.89770(18) 0.0639(8) Uani 1 1 d . . . . .
H37A H 0.563138 0.689844 0.859554 0.096 Uiso 1 1 calc R U . . .
H37B H 0.554986 0.646503 0.937325 0.096 Uiso 1 1 calc R U . . .
H37C H 0.563402 0.771199 0.926226 0.096 Uiso 1 1 calc R U . . .
C16A C 0.1372(5) -0.0763(3) 0.5091(4) 0.0386(14) Uani 0.647(12) 1 d D U P A 1
H16A H 0.073530 -0.069812 0.478490 0.058 Uiso 0.647(12) 1 calc R U P A 1
H16B H 0.155467 -0.062538 0.566839 0.058 Uiso 0.647(12) 1 calc R U P A 1
H16C H 0.154914 -0.148154 0.502589 0.058 Uiso 0.647(12) 1 calc R U P A 1
C27A C 0.1569(6) -0.0139(10) 0.3879(4) 0.0274(13) Uani 0.647(12) 1 d D U P A 1
H27A H 0.093966 -0.004197 0.353892 0.041 Uiso 0.647(12) 1 calc R U P A 1
H27B H 0.173725 -0.085561 0.379807 0.041 Uiso 0.647(12) 1 calc R U P A 1
H27C H 0.189060 0.038401 0.372615 0.041 Uiso 0.647(12) 1 calc R U P A 1
C28A C 0.2817(3) -0.0129(4) 0.5276(3) 0.0409(13) Uani 0.647(12) 1 d D U P A 1
H28A H 0.297756 -0.084948 0.519615 0.061 Uiso 0.647(12) 1 calc R U P A 1
H28B H 0.300043 -0.000950 0.585565 0.061 Uiso 0.647(12) 1 calc R U P A 1
H28C H 0.310711 0.038548 0.508148 0.061 Uiso 0.647(12) 1 calc R U P A 1
C16B C 0.0994(6) -0.0806(6) 0.4708(7) 0.0294(17) Uani 0.353(12) 1 d D U P A 2
H16D H 0.044362 -0.059732 0.424345 0.044 Uiso 0.353(12) 1 calc R U P A 2
H16E H 0.092829 -0.076684 0.520810 0.044 Uiso 0.353(12) 1 calc R U P A 2
H16F H 0.114152 -0.153356 0.463020 0.044 Uiso 0.353(12) 1 calc R U P A 2
C27B C 0.1764(13) -0.009(2) 0.3966(8) 0.041(3) Uani 0.353(12) 1 d D U P A 2
H27D H 0.118952 0.013759 0.354493 0.061 Uiso 0.353(12) 1 calc R U P A 2
H27E H 0.186808 -0.082687 0.387248 0.061 Uiso 0.353(12) 1 calc R U P A 2
H27F H 0.221818 0.036421 0.394472 0.061 Uiso 0.353(12) 1 calc R U P A 2
C28B C 0.2577(7) -0.0419(8) 0.5450(7) 0.048(2) Uani 0.353(12) 1 d D U P A 2
H28D H 0.268232 -0.113670 0.531054 0.072 Uiso 0.353(12) 1 calc R U P A 2
H28E H 0.249900 -0.044400 0.594356 0.072 Uiso 0.353(12) 1 calc R U P A 2
H28F H 0.307710 0.003490 0.554358 0.072 Uiso 0.353(12) 1 calc R U P A 2
C13A C 0.1368(8) 0.9862(10) 0.8672(6) 0.029(2) Uani 0.511(8) 1 d D . P B 1
H13A H 0.151448 1.043984 0.908421 0.034 Uiso 0.511(8) 1 calc R U P B 1
C14A C 0.1747(6) 0.8821(10) 0.9133(6) 0.0383(18) Uani 0.511(8) 1 d . . P B 1
H14A H 0.162370 0.824107 0.874168 0.057 Uiso 0.511(8) 1 calc R U P B 1
H14B H 0.147869 0.866357 0.948913 0.057 Uiso 0.511(8) 1 calc R U P B 1
H14C H 0.238093 0.889415 0.946077 0.057 Uiso 0.511(8) 1 calc R U P B 1
C22A C 0.2995(8) 1.0302(16) 0.8492(11) 0.049(5) Uani 0.511(8) 1 d D . P B 1
H22A H 0.316393 0.958074 0.873896 0.059 Uiso 0.511(8) 1 calc R U P B 1
C23A C 0.337(3) 1.032(4) 0.7842(19) 0.063(3) Uani 0.511(8) 1 d . . P B 1
H23A H 0.310954 0.973838 0.745476 0.095 Uiso 0.511(8) 1 calc R U P B 1
H23B H 0.400473 1.024090 0.812267 0.095 Uiso 0.511(8) 1 calc R U P B 1
H23C H 0.321742 1.099902 0.754887 0.095 Uiso 0.511(8) 1 calc R U P B 1
C24A C 0.1479(3) 1.1596(4) 0.7490(3) 0.0230(11) Uani 0.511(8) 1 d D . P B 1
H24A H 0.197592 1.187020 0.740264 0.028 Uiso 0.511(8) 1 calc R U P B 1
C25A C 0.0668(4) 1.1584(4) 0.6668(3) 0.0293(12) Uani 0.511(8) 1 d . . P B 1
H25A H 0.053920 1.230624 0.644973 0.044 Uiso 0.511(8) 1 calc R U P B 1
H25B H 0.017043 1.130871 0.673443 0.044 Uiso 0.511(8) 1 calc R U P B 1
H25C H 0.077324 1.112770 0.629150 0.044 Uiso 0.511(8) 1 calc R U P B 1
C26A C 0.0353(4) 0.9775(5) 0.8205(4) 0.0348(14) Uani 0.511(8) 1 d . . P B 1
H26A H 0.010477 1.046735 0.797475 0.052 Uiso 0.511(8) 1 calc R U P B 1
H26B H 0.012667 0.954854 0.858202 0.052 Uiso 0.511(8) 1 calc R U P B 1
H26C H 0.018852 0.925338 0.776641 0.052 Uiso 0.511(8) 1 calc R U P B 1
C34A C 0.347(3) 1.101(4) 0.918(3) 0.051(3) Uani 0.511(8) 1 d . . P B 1
H34A H 0.345291 1.173546 0.898402 0.076 Uiso 0.511(8) 1 calc R U P B 1
H34B H 0.408285 1.077669 0.947501 0.076 Uiso 0.511(8) 1 calc R U P B 1
H34C H 0.320333 1.099063 0.954945 0.076 Uiso 0.511(8) 1 calc R U P B 1
C35A C 0.1344(4) 1.2372(8) 0.8076(5) 0.0285(15) Uani 0.511(8) 1 d . . P B 1
H35A H 0.121213 1.308210 0.783368 0.043 Uiso 0.511(8) 1 calc R U P B 1
H35B H 0.187814 1.239987 0.859500 0.043 Uiso 0.511(8) 1 calc R U P B 1
H35C H 0.085664 1.212510 0.817093 0.043 Uiso 0.511(8) 1 calc R U P B 1
Si1A Si 0.1796(4) 1.0244(6) 0.7973(5) 0.0194(8) Uani 0.511(8) 1 d D . P B 1
C13B C 0.1462(7) 0.9670(9) 0.8880(6) 0.0226(18) Uani 0.489(8) 1 d D . P B 2
H13B H 0.156071 1.026397 0.927090 0.027 Uiso 0.489(8) 1 calc R U P B 2
C14B C 0.2034(6) 0.8726(10) 0.9368(6) 0.040(2) Uani 0.489(8) 1 d . . P B 2
H14D H 0.197227 0.814075 0.899603 0.060 Uiso 0.489(8) 1 calc R U P B 2
H14E H 0.184568 0.849007 0.976948 0.060 Uiso 0.489(8) 1 calc R U P B 2
H14F H 0.264766 0.894841 0.964805 0.060 Uiso 0.489(8) 1 calc R U P B 2
C22B C 0.3053(7) 1.0138(15) 0.8521(9) 0.0208(18) Uani 0.489(8) 1 d D . P B 2
H22B H 0.325338 0.943951 0.880164 0.025 Uiso 0.489(8) 1 calc R U P B 2
C23B C 0.345(3) 1.025(4) 0.7979(19) 0.063(3) Uani 0.489(8) 1 d . . P B 2
H23D H 0.319353 0.972764 0.753827 0.095 Uiso 0.489(8) 1 calc R U P B 2
H23E H 0.408121 1.012631 0.828323 0.095 Uiso 0.489(8) 1 calc R U P B 2
H23F H 0.334335 1.096536 0.774873 0.095 Uiso 0.489(8) 1 calc R U P B 2
C24B C 0.1095(5) 1.1320(4) 0.7542(3) 0.0349(15) Uani 0.489(8) 1 d D . P B 2
H24B H 0.047557 1.106640 0.729571 0.042 Uiso 0.489(8) 1 calc R U P B 2
C25B C 0.1258(6) 1.1746(4) 0.6846(3) 0.047(2) Uani 0.489(8) 1 d . . P B 2
H25D H 0.123833 1.115794 0.649074 0.070 Uiso 0.489(8) 1 calc R U P B 2
H25E H 0.183340 1.208537 0.707005 0.070 Uiso 0.489(8) 1 calc R U P B 2
H25F H 0.080525 1.226595 0.653171 0.070 Uiso 0.489(8) 1 calc R U P B 2
C26B C 0.0502(4) 0.9392(7) 0.8497(4) 0.0400(17) Uani 0.489(8) 1 d . . P B 2
H26D H 0.015426 1.002671 0.824473 0.060 Uiso 0.489(8) 1 calc R U P B 2
H26E H 0.035192 0.912587 0.891685 0.060 Uiso 0.489(8) 1 calc R U P B 2
H26F H 0.037701 0.884474 0.808216 0.060 Uiso 0.489(8) 1 calc R U P B 2
C34B C 0.342(4) 1.102(4) 0.921(3) 0.051(3) Uani 0.489(8) 1 d . . P B 2
H34D H 0.317796 1.171357 0.897742 0.076 Uiso 0.489(8) 1 calc R U P B 2
H34E H 0.405639 1.104153 0.945485 0.076 Uiso 0.489(8) 1 calc R U P B 2
H34F H 0.324021 1.084801 0.963591 0.076 Uiso 0.489(8) 1 calc R U P B 2
C35B C 0.1165(10) 1.2244(11) 0.8103(8) 0.101(5) Uani 0.489(8) 1 d . . P B 2
H35D H 0.069749 1.275610 0.780830 0.152 Uiso 0.489(8) 1 calc R U P B 2
H35E H 0.173405 1.259217 0.828492 0.152 Uiso 0.489(8) 1 calc R U P B 2
H35F H 0.111008 1.197796 0.857644 0.152 Uiso 0.489(8) 1 calc R U P B 2
Si1B Si 0.1810(5) 1.0155(6) 0.8089(5) 0.0273(14) Uani 0.489(8) 1 d D . P B 2


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 C6 1.376(3) . ?
C1 C2 1.405(2) . ?
C1 C7 1.468(2) . ?
Si2 C19 1.842(2) . ?
Si2 C20 1.872(2) . ?
Si2 C29 1.883(2) . ?
Si2 C31 1.884(2) . ?
C2 C3 1.391(2) . ?
C2 C9 1.478(2) 3_566 ?
C3 C4 1.400(3) . ?
C3 H1C 0.94(2) . ?
C4 C5 1.387(3) . ?
C4 C15 1.539(2) . ?
C5 C6 1.392(3) . ?
C5 H1B 0.94(2) . ?
C6 H1 0.95(2) . ?
C7 C17 1.386(2) . ?
C7 C8 1.410(2) 3_566 ?
C8 C17 1.393(2) . ?
C8 C9 1.474(2) . ?
C9 C10 1.362(2) . ?
C10 C18 1.434(3) . ?
C10 C11 1.440(2) . ?
C11 C12 1.194(3) . ?
C12 Si1A 1.826(7) . ?
C12 Si1B 1.877(8) . ?
C15 C28B 1.459(8) . ?
C15 C16A 1.472(4) . ?
C15 C27B 1.491(11) . ?
C15 C27A 1.543(6) . ?
C15 C28A 1.585(5) . ?
C15 C16B 1.668(7) . ?
C17 H1AA 0.93(2) . ?
C18 C19 1.192(3) . ?
C20 C21 1.521(4) . ?
C20 C33 1.526(3) . ?
C20 H20 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C29 C36 1.522(3) . ?
C29 C30 1.522(3) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.532(4) . ?
C31 C37 1.534(3) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C16A H16A 0.9800 . ?
C16A H16B 0.9800 . ?
C16A H16C 0.9800 . ?
C27A H27A 0.9800 . ?
C27A H27B 0.9800 . ?
C27A H27C 0.9800 . ?
C28A H28A 0.9800 . ?
C28A H28B 0.9800 . ?
C28A H28C 0.9800 . ?
C16B H16D 0.9800 . ?
C16B H16E 0.9800 . ?
C16B H16F 0.9800 . ?
C27B H27D 0.9800 . ?
C27B H27E 0.9800 . ?
C27B H27F 0.9800 . ?
C28B H28D 0.9800 . ?
C28B H28E 0.9800 . ?
C28B H28F 0.9800 . ?
C13A C14A 1.539(10) . ?
C13A C26A 1.557(12) . ?
C13A Si1A 1.816(10) . ?
C13A H13A 1.0000 . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14A H14C 0.9800 . ?
C22A C34A 1.46(6) . ?
C22A C23A 1.60(3) . ?
C22A Si1A 1.835(11) . ?
C22A H22A 1.0000 . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C24A C25A 1.523(7) . ?
C24A C35A 1.552(9) . ?
C24A Si1A 1.885(8) . ?
C24A H24A 1.0000 . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C26A H26A 0.9800 . ?
C26A H26B 0.9800 . ?
C26A H26C 0.9800 . ?
C34A H34A 0.9800 . ?
C34A H34B 0.9800 . ?
C34A H34C 0.9800 . ?
C35A H35A 0.9800 . ?
C35A H35B 0.9800 . ?
C35A H35C 0.9800 . ?
C13B C26B 1.510(11) . ?
C13B C14B 1.545(9) . ?
C13B Si1B 1.912(10) . ?
C13B H13B 1.0000 . ?
C14B H14D 0.9800 . ?
C14B H14E 0.9800 . ?
C14B H14F 0.9800 . ?
C22B C23B 1.45(3) . ?
C22B C34B 1.59(6) . ?
C22B Si1B 1.909(9) . ?
C22B H22B 1.0000 . ?
C23B H23D 0.9800 . ?
C23B H23E 0.9800 . ?
C23B H23F 0.9800 . ?
C24B C35B 1.526(13) . ?
C24B C25B 1.530(9) . ?
C24B Si1B 1.887(8) . ?
C24B H24B 1.0000 . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C26B H26D 0.9800 . ?
C26B H26E 0.9800 . ?
C26B H26F 0.9800 . ?
C34B H34D 0.9800 . ?
C34B H34E 0.9800 . ?
C34B H34F 0.9800 . ?
C35B H35D 0.9800 . ?
C35B H35E 0.9800 . ?
C35B H35F 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
C6 C1 C2 120.00(16) . . ?
C6 C1 C7 131.22(17) . . ?
C2 C1 C7 108.78(15) . . ?
C19 Si2 C20 107.87(10) . . ?
C19 Si2 C29 107.31(10) . . ?
C20 Si2 C29 114.72(11) . . ?
C19 Si2 C31 104.60(9) . . ?
C20 Si2 C31 110.51(11) . . ?
C29 Si2 C31 111.22(11) . . ?
C3 C2 C1 120.19(16) . . ?
C3 C2 C9 131.60(16) . 3_566 ?
C1 C2 C9 108.21(14) . 3_566 ?
C2 C3 C4 120.28(17) . . ?
C2 C3 H1C 118.7(13) . . ?
C4 C3 H1C 121.0(13) . . ?
C5 C4 C3 118.01(17) . . ?
C5 C4 C15 122.70(18) . . ?
C3 C4 C15 119.29(17) . . ?
C4 C5 C6 122.52(19) . . ?
C4 C5 H1B 118.6(15) . . ?
C6 C5 H1B 118.9(15) . . ?
C1 C6 C5 118.97(18) . . ?
C1 C6 H1 121.1(14) . . ?
C5 C6 H1 119.9(14) . . ?
C17 C7 C8 121.93(15) . 3_566 ?
C17 C7 C1 129.85(16) . . ?
C8 C7 C1 108.22(14) 3_566 . ?
C17 C8 C7 120.21(15) . 3_566 ?
C17 C8 C9 131.31(16) . . ?
C7 C8 C9 108.46(15) 3_566 . ?
C10 C9 C8 126.43(16) . . ?
C10 C9 C2 127.16(15) . 3_566 ?
C8 C9 C2 106.26(14) . 3_566 ?
C9 C10 C18 124.38(16) . . ?
C9 C10 C11 124.54(17) . . ?
C18 C10 C11 111.06(15) . . ?
C12 C11 C10 170.9(2) . . ?
C11 C12 Si1A 174.9(3) . . ?
C11 C12 Si1B 168.3(3) . . ?
C28B C15 C27B 114.4(10) . . ?
C28B C15 C4 116.3(4) . . ?
C16A C15 C4 109.4(2) . . ?
C27B C15 C4 110.2(10) . . ?
C16A C15 C27A 114.4(5) . . ?
C4 C15 C27A 108.9(5) . . ?
C16A C15 C28A 108.2(3) . . ?
C4 C15 C28A 110.1(2) . . ?
C27A C15 C28A 105.7(4) . . ?
C28B C15 C16B 104.4(5) . . ?
C27B C15 C16B 102.7(9) . . ?
C4 C15 C16B 107.4(3) . . ?
C7 C17 C8 117.86(16) . . ?
C7 C17 H1AA 121.1(13) . . ?
C8 C17 H1AA 121.0(13) . . ?
C19 C18 C10 171.70(19) . . ?
C18 C19 Si2 172.85(17) . . ?
C21 C20 C33 109.8(2) . . ?
C21 C20 Si2 110.59(18) . . ?
C33 C20 Si2 113.44(16) . . ?
C21 C20 H20 107.6 . . ?
C33 C20 H20 107.6 . . ?
Si2 C20 H20 107.6 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C36 C29 C30 110.6(2) . . ?
C36 C29 Si2 112.79(17) . . ?
C30 C29 Si2 114.41(16) . . ?
C36 C29 H29 106.1 . . ?
C30 C29 H29 106.1 . . ?
Si2 C29 H29 106.1 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C37 111.8(2) . . ?
C32 C31 Si2 111.96(17) . . ?
C37 C31 Si2 113.29(17) . . ?
C32 C31 H31 106.4 . . ?
C37 C31 H31 106.4 . . ?
Si2 C31 H31 106.4 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C20 C33 H33A 109.5 . . ?
C20 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C20 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C36 H36A 109.5 . . ?
C29 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C29 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C31 C37 H37A 109.5 . . ?
C31 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C31 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C15 C16A H16A 109.5 . . ?
C15 C16A H16B 109.5 . . ?
H16A C16A H16B 109.5 . . ?
C15 C16A H16C 109.5 . . ?
H16A C16A H16C 109.5 . . ?
H16B C16A H16C 109.5 . . ?
C15 C27A H27A 109.5 . . ?
C15 C27A H27B 109.5 . . ?
H27A C27A H27B 109.5 . . ?
C15 C27A H27C 109.5 . . ?
H27A C27A H27C 109.5 . . ?
H27B C27A H27C 109.5 . . ?
C15 C28A H28A 109.5 . . ?
C15 C28A H28B 109.5 . . ?
H28A C28A H28B 109.5 . . ?
C15 C28A H28C 109.5 . . ?
H28A C28A H28C 109.5 . . ?
H28B C28A H28C 109.5 . . ?
C15 C16B H16D 109.5 . . ?
C15 C16B H16E 109.5 . . ?
H16D C16B H16E 109.5 . . ?
C15 C16B H16F 109.5 . . ?
H16D C16B H16F 109.5 . . ?
H16E C16B H16F 109.5 . . ?
C15 C27B H27D 109.5 . . ?
C15 C27B H27E 109.5 . . ?
H27D C27B H27E 109.5 . . ?
C15 C27B H27F 109.5 . . ?
H27D C27B H27F 109.5 . . ?
H27E C27B H27F 109.5 . . ?
C15 C28B H28D 109.5 . . ?
C15 C28B H28E 109.5 . . ?
H28D C28B H28E 109.5 . . ?
C15 C28B H28F 109.5 . . ?
H28D C28B H28F 109.5 . . ?
H28E C28B H28F 109.5 . . ?
C14A C13A C26A 109.4(7) . . ?
C14A C13A Si1A 114.4(9) . . ?
C26A C13A Si1A 109.8(6) . . ?
C14A C13A H13A 107.7 . . ?
C26A C13A H13A 107.7 . . ?
Si1A C13A H13A 107.7 . . ?
C13A C14A H14A 109.5 . . ?
C13A C14A H14B 109.5 . . ?
H14A C14A H14B 109.5 . . ?
C13A C14A H14C 109.5 . . ?
H14A C14A H14C 109.5 . . ?
H14B C14A H14C 109.5 . . ?
C34A C22A C23A 113(3) . . ?
C34A C22A Si1A 122(2) . . ?
C23A C22A Si1A 110.3(18) . . ?
C34A C22A H22A 103.0 . . ?
C23A C22A H22A 103.0 . . ?
Si1A C22A H22A 103.0 . . ?
C22A C23A H23A 109.5 . . ?
C22A C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
C22A C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C25A C24A C35A 110.1(4) . . ?
C25A C24A Si1A 113.5(4) . . ?
C35A C24A Si1A 110.0(5) . . ?
C25A C24A H24A 107.7 . . ?
C35A C24A H24A 107.7 . . ?
Si1A C24A H24A 107.7 . . ?
C24A C25A H25A 109.5 . . ?
C24A C25A H25B 109.5 . . ?
H25A C25A H25B 109.5 . . ?
C24A C25A H25C 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
C13A C26A H26A 109.5 . . ?
C13A C26A H26B 109.5 . . ?
H26A C26A H26B 109.5 . . ?
C13A C26A H26C 109.5 . . ?
H26A C26A H26C 109.5 . . ?
H26B C26A H26C 109.5 . . ?
C22A C34A H34A 109.5 . . ?
C22A C34A H34B 109.5 . . ?
H34A C34A H34B 109.5 . . ?
C22A C34A H34C 109.5 . . ?
H34A C34A H34C 109.5 . . ?
H34B C34A H34C 109.5 . . ?
C24A C35A H35A 109.5 . . ?
C24A C35A H35B 109.5 . . ?
H35A C35A H35B 109.5 . . ?
C24A C35A H35C 109.5 . . ?
H35A C35A H35C 109.5 . . ?
H35B C35A H35C 109.5 . . ?
C13A Si1A C12 102.4(6) . . ?
C13A Si1A C22A 111.2(9) . . ?
C12 Si1A C22A 108.1(7) . . ?
C13A Si1A C24A 116.9(5) . . ?
C12 Si1A C24A 115.2(4) . . ?
C22A Si1A C24A 103.0(7) . . ?
C26B C13B C14B 111.4(7) . . ?
C26B C13B Si1B 111.8(6) . . ?
C14B C13B Si1B 110.8(8) . . ?
C26B C13B H13B 107.6 . . ?
C14B C13B H13B 107.6 . . ?
Si1B C13B H13B 107.6 . . ?
C13B C14B H14D 109.5 . . ?
C13B C14B H14E 109.5 . . ?
H14D C14B H14E 109.5 . . ?
C13B C14B H14F 109.5 . . ?
H14D C14B H14F 109.5 . . ?
H14E C14B H14F 109.5 . . ?
C23B C22B C34B 111(3) . . ?
C23B C22B Si1B 119.8(19) . . ?
C34B C22B Si1B 106(2) . . ?
C23B C22B H22B 106.4 . . ?
C34B C22B H22B 106.4 . . ?
Si1B C22B H22B 106.4 . . ?
C22B C23B H23D 109.5 . . ?
C22B C23B H23E 109.5 . . ?
H23D C23B H23E 109.5 . . ?
C22B C23B H23F 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C35B C24B C25B 108.3(7) . . ?
C35B C24B Si1B 113.5(7) . . ?
C25B C24B Si1B 113.5(5) . . ?
C35B C24B H24B 107.0 . . ?
C25B C24B H24B 107.0 . . ?
Si1B C24B H24B 107.0 . . ?
C24B C25B H25D 109.5 . . ?
C24B C25B H25E 109.5 . . ?
H25D C25B H25E 109.5 . . ?
C24B C25B H25F 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
C13B C26B H26D 109.5 . . ?
C13B C26B H26E 109.5 . . ?
H26D C26B H26E 109.5 . . ?
C13B C26B H26F 109.5 . . ?
H26D C26B H26F 109.5 . . ?
H26E C26B H26F 109.5 . . ?
C22B C34B H34D 109.5 . . ?
C22B C34B H34E 109.5 . . ?
H34D C34B H34E 109.5 . . ?
C22B C34B H34F 109.5 . . ?
H34D C34B H34F 109.5 . . ?
H34E C34B H34F 109.5 . . ?
C24B C35B H35D 109.5 . . ?
C24B C35B H35E 109.5 . . ?
H35D C35B H35E 109.5 . . ?
C24B C35B H35F 109.5 . . ?
H35D C35B H35F 109.5 . . ?
H35E C35B H35F 109.5 . . ?
C12 Si1B C24B 102.3(4) . . ?
C12 Si1B C22B 102.0(7) . . ?
C24B Si1B C22B 124.4(7) . . ?
C12 Si1B C13B 108.1(6) . . ?
C24B Si1B C13B 107.7(5) . . ?
C22B Si1B C13B 110.8(8) . . ?

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
C6 C1 C2 C3 1.9(3) . . . . ?
C7 C1 C2 C3 -178.43(16) . . . . ?
C6 C1 C2 C9 -177.91(17) . . . 3_566 ?
C7 C1 C2 C9 1.79(19) . . . 3_566 ?
C1 C2 C3 C4 -0.8(3) . . . . ?
C9 C2 C3 C4 178.87(17) 3_566 . . . ?
C2 C3 C4 C5 -0.4(3) . . . . ?
C2 C3 C4 C15 179.59(17) . . . . ?
C3 C4 C5 C6 0.7(3) . . . . ?
C15 C4 C5 C6 -179.3(2) . . . . ?
C2 C1 C6 C5 -1.6(3) . . . . ?
C7 C1 C6 C5 178.8(2) . . . . ?
C4 C5 C6 C1 0.3(3) . . . . ?
C6 C1 C7 C17 0.1(3) . . . . ?
C2 C1 C7 C17 -179.52(18) . . . . ?
C6 C1 C7 C8 179.4(2) . . . 3_566 ?
C2 C1 C7 C8 -0.3(2) . . . 3_566 ?
C17 C8 C9 C10 -4.7(3) . . . . ?
C7 C8 C9 C10 173.49(17) 3_566 . . . ?
C17 C8 C9 C2 179.36(18) . . . 3_566 ?
C7 C8 C9 C2 -2.40(19) 3_566 . . 3_566 ?
C8 C9 C10 C18 4.2(3) . . . . ?
C2 C9 C10 C18 179.29(17) 3_566 . . . ?
C8 C9 C10 C11 -173.72(17) . . . . ?
C2 C9 C10 C11 1.3(3) 3_566 . . . ?
C5 C4 C15 C28B 24.0(7) . . . . ?
C3 C4 C15 C28B -156.0(7) . . . . ?
C5 C4 C15 C16A 113.9(4) . . . . ?
C3 C4 C15 C16A -66.1(4) . . . . ?
C5 C4 C15 C27B -108.3(8) . . . . ?
C3 C4 C15 C27B 71.7(8) . . . . ?
C5 C4 C15 C27A -120.3(4) . . . . ?
C3 C4 C15 C27A 59.6(4) . . . . ?
C5 C4 C15 C28A -4.9(4) . . . . ?
C3 C4 C15 C28A 175.1(3) . . . . ?
C5 C4 C15 C16B 140.5(4) . . . . ?
C3 C4 C15 C16B -39.5(4) . . . . ?
C8 C7 C17 C8 0.5(3) 3_566 . . . ?
C1 C7 C17 C8 179.65(17) . . . . ?
C7 C8 C17 C7 -0.5(3) 3_566 . . . ?
C9 C8 C17 C7 177.58(17) . . . . ?
C19 Si2 C20 C21 61.4(2) . . . . ?
C29 Si2 C20 C21 -179.11(17) . . . . ?
C31 Si2 C20 C21 -52.4(2) . . . . ?
C19 Si2 C20 C33 -62.5(2) . . . . ?
C29 Si2 C20 C33 57.0(2) . . . . ?
C31 Si2 C20 C33 -176.32(18) . . . . ?
C19 Si2 C29 C36 172.53(18) . . . . ?
C20 Si2 C29 C36 52.7(2) . . . . ?
C31 Si2 C29 C36 -73.6(2) . . . . ?
C19 Si2 C29 C30 45.0(2) . . . . ?
C20 Si2 C29 C30 -74.8(2) . . . . ?
C31 Si2 C29 C30 158.84(18) . . . . ?
C19 Si2 C31 C32 65.06(19) . . . . ?
C20 Si2 C31 C32 -179.10(17) . . . . ?
C29 Si2 C31 C32 -50.5(2) . . . . ?
C19 Si2 C31 C37 -167.4(2) . . . . ?
C20 Si2 C31 C37 -51.5(2) . . . . ?
C29 Si2 C31 C37 77.1(2) . . . . ?
C14A C13A Si1A C12 61.0(8) . . . . ?
C26A C13A Si1A C12 -62.4(8) . . . . ?
C14A C13A Si1A C22A -54.3(11) . . . . ?
C26A C13A Si1A C22A -177.7(9) . . . . ?
C14A C13A Si1A C24A -172.1(6) . . . . ?
C26A C13A Si1A C24A 64.5(9) . . . . ?
C34A C22A Si1A C13A -60(3) . . . . ?
C23A C22A Si1A C13A 164(2) . . . . ?
C34A C22A Si1A C12 -171(2) . . . . ?
C23A C22A Si1A C12 53(2) . . . . ?
C34A C22A Si1A C24A 66(3) . . . . ?
C23A C22A Si1A C24A -70(2) . . . . ?
C25A C24A Si1A C13A -93.0(7) . . . . ?
C35A C24A Si1A C13A 30.8(7) . . . . ?
C25A C24A Si1A C12 27.4(6) . . . . ?
C35A C24A Si1A C12 151.2(4) . . . . ?
C25A C24A Si1A C22A 144.8(8) . . . . ?
C35A C24A Si1A C22A -91.3(8) . . . . ?
C11 C12 Si1B C24B -150.6(13) . . . . ?
C11 C12 Si1B C22B 79.8(16) . . . . ?
C11 C12 Si1B C13B -37.1(17) . . . . ?
C35B C24B Si1B C12 173.6(7) . . . . ?
C25B C24B Si1B C12 -62.1(7) . . . . ?
C35B C24B Si1B C22B -72.3(11) . . . . ?
C25B C24B Si1B C22B 51.9(10) . . . . ?
C35B C24B Si1B C13B 59.8(9) . . . . ?
C25B C24B Si1B C13B -176.0(6) . . . . ?

