# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# 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. 
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data_yr516
_database_code_depnum_ccdc_archive 'CCDC 2069758'
loop_
_audit_author_name
_audit_author_address
'Alexander D. Volodin'
;Institute of Organoelement Compounds of Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2021-03-11 deposited with the CCDC.	2021-04-27 downloaded from the CCDC.
;
_audit_creation_date             2021-03-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H56 O8 Si8'
_chemical_formula_sum            'C36 H56 O8 Si8'
_chemical_formula_weight         841.52
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.2751(14)
_cell_length_b                   22.028(2)
_cell_length_c                   41.384(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9367(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9966
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.179
_cell_measurement_theta_min      2.208
_shelx_estimated_absorpt_T_max   0.955
_shelx_estimated_absorpt_T_min   0.945
_exptl_absorpt_coefficient_mu    0.272
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5624
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1302 before and 0.0489 after correction.
The Ratio of minimum to maximum transmission is 0.7538.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.194
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3584
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1182
_diffrn_reflns_av_unetI/netI     0.1250
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_limit_l_min       -59
_diffrn_reflns_number            109584
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.672
_diffrn_reflns_theta_min         1.047
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.839
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.986
_reflns_number_gt                19218
_reflns_number_total             28691
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.697
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.093
_refine_ls_abs_structure_details 
;
 Flack x determined using 6283 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.03(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     991
_refine_ls_number_reflns         28691
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.1305
_refine_ls_R_factor_gt           0.0831
_refine_ls_restrained_S_all      1.055
_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)+(0.0706P)²+8.1427P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1705
_refine_ls_wR_factor_ref         0.1890
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All Si(H) groups, All Si(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups
2. Restrained distances
 Si8B-C35B \\sim Si8C-C35C
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C36A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C35B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C35C) = Uanis(C35B)
4. Others
 Fixed Sof: H8A(0.85) H8BA(0.15) H7B(0.5) H7BA(0.5) C36(0.85) H36G(0.85)
 H36H(0.85) H36I(0.85) C34B(0.5) H34A(0.5) H34B(0.5) H34C(0.5) Si8B(0.5)
 H8B(0.5) Si8C(0.5) H8C(0.5) C34C(0.5) H34D(0.5) H34E(0.5) H34F(0.5) C35B(0.5)
 H35A(0.5) H35B(0.5) H35C(0.5) C35C(0.5) H35D(0.5) H35E(0.5) H35F(0.5)
 C36A(0.15) H36J(0.15) H36K(0.15) H36L(0.15) H36A(0.5) H36B(0.5) H36C(0.5)
 H36D(0.5) H36E(0.5) H36F(0.5)
5.a Ternary CH refined with riding coordinates:
 Si8(H8A), Si8(H8BA), Si6(H6), Si5B(H5B), Si6B(H6B), Si5(H5), Si7(H7),
 Si7B(H7B), Si7B(H7BA), Si8B(H8B), Si8C(H8C)
5.b Me refined with everything fixed:
 C35B(H35A,H35B,H35C), C35C(H35D,H35E,H35F)
5.c Me refined with riding coordinates:
 C36A(H36J,H36K,H36L)
5.d Aromatic/amide H refined with riding coordinates:
 C6(H6A), C13(H13), C26(H26), C2B(H2B), C12B(H12B), C13B(H13B), C27(H27),
 C6B(H6BA), C3B(H3B), C23B(H23B), C5B(H5BA), C24B(H24B), C20B(H20B), C16B(H16B),
  C10B(H10B), C20(H20), C9(H9), C10(H10), C2(H2), C3(H3), C19B(H19B), C5(H5A),
 C9B(H9B), C12(H12), C23(H23), C27B(H27B), C26B(H26B), C17B(H17B), C19(H19),
 C16(H16), C17(H17), C24(H24)
5.e Idealised Me refined as rotating group:
 C30B(H30A,H30B,H30C), C7(H7A,H7C,H7D), C35(H35G,H35H,H35I), C29B(H29A,H29B,
 H29C), C29(H29D,H29E,H29F), C21(H21D,H21E,H21F), C28(H28D,H28E,H28F),
 C21B(H21A,H21B,H21C), C14B(H14A,H14B,H14C), C14(H14D,H14E,H14F), C28B(H28A,
 H28B,H28C), C30(H30D,H30E,H30F), C31(H31D,H31E,H31F), C32(H32D,H32E,H32F),
 C32B(H32A,H32B,H32C), C33(H33D,H33E,H33F), C7B(H7BB,H7BC,H7BD), C33B(H33A,H33B,
 H33C), C31B(H31A,H31B,H31C), C36(H36G,H36H,H36I), C34B(H34A,H34B,H34C),
 C34(H34G,H34H,H34I), C34C(H34D,H34E,H34F), C36B(H36A,H36B,H36C), C36B(H36D,
 H36E,H36F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Si2B Si -0.14558(15) 0.59272(7) 0.61380(4) 0.0177(3) Uani 1 1 d . . . . .
Si4B Si 0.08306(15) 0.76251(7) 0.61621(4) 0.0193(3) Uani 1 1 d . . . . .
Si1 Si 0.49236(16) 0.27748(8) 0.60110(4) 0.0226(3) Uani 1 1 d . . . . .
Si1B Si 0.15656(15) 0.62541(7) 0.61921(4) 0.0201(3) Uani 1 1 d . . . . .
Si3 Si 0.71178(16) 0.10999(7) 0.61954(4) 0.0218(3) Uani 1 1 d . . . . .
Si4 Si 0.41444(16) 0.14415(7) 0.61983(4) 0.0228(3) Uani 1 1 d . . . . .
Si2 Si 0.77436(15) 0.24909(7) 0.62642(4) 0.0203(3) Uani 1 1 d . . . . .
Si3B Si -0.20762(15) 0.72934(7) 0.62888(4) 0.0188(3) Uani 1 1 d . . . . .
Si8 Si 0.26419(19) 0.04066(9) 0.58415(5) 0.0355(4) Uani 1 1 d . . . . .
H8A H 0.3215 0.0055 0.5897 0.043 Uiso 0.85 1 calc R U P A 1
H8BA H 0.2516 0.0377 0.5602 0.043 Uiso 0.15 1 calc R U P B 2
Si6 Si 1.02476(17) 0.28243(9) 0.58914(4) 0.0313(4) Uani 1 1 d . . . . .
H6 H 1.0857 0.2905 0.6075 0.038 Uiso 1 1 calc R U . . .
Si5B Si 0.35143(18) 0.60626(9) 0.56370(4) 0.0303(4) Uani 1 1 d . . . . .
H5B H 0.3120 0.6210 0.5430 0.036 Uiso 1 1 calc R U . . .
Si6B Si -0.14045(19) 0.58332(8) 0.54000(4) 0.0294(4) Uani 1 1 d . . . . .
H6B H -0.2199 0.5756 0.5267 0.035 Uiso 1 1 calc R U . . .
Si5 Si 0.5902(2) 0.32914(9) 0.53527(4) 0.0315(4) Uani 1 1 d . . . . .
H5 H 0.5267 0.3444 0.5188 0.038 Uiso 1 1 calc R U . . .
Si7 Si 0.6930(3) 0.04882(10) 0.55181(5) 0.0457(5) Uani 1 1 d . . . . .
H7 H 0.6240 0.0182 0.5569 0.055 Uiso 1 1 calc R U . . .
Si7B Si -0.3139(3) 0.83445(10) 0.58728(5) 0.0499(6) Uani 1 1 d . . . . .
H7B H -0.2297 0.8571 0.5882 0.060 Uiso 0.5 1 calc R U P C 1
H7BA H -0.3993 0.8441 0.5977 0.060 Uiso 0.5 1 calc R U P D 2
O1 O 0.6308(4) 0.27594(19) 0.61948(11) 0.0277(9) Uani 1 1 d . . . . .
O4 O 0.4262(4) 0.21128(18) 0.60414(10) 0.0251(9) Uani 1 1 d . . . . .
O6 O 0.8740(4) 0.28292(19) 0.60270(10) 0.0266(9) Uani 1 1 d . . . . .
O8 O 0.3355(5) 0.1042(2) 0.59409(11) 0.0348(11) Uani 1 1 d . . . . .
O2B O -0.2129(4) 0.65809(18) 0.61938(10) 0.0250(9) Uani 1 1 d . . . . .
O3B O -0.0585(4) 0.75231(19) 0.63211(10) 0.0262(9) Uani 1 1 d . . . . .
O7B O -0.2787(4) 0.76633(19) 0.60050(11) 0.0308(10) Uani 1 1 d . . . . .
O1B O 0.0092(4) 0.60074(18) 0.61910(11) 0.0262(9) Uani 1 1 d . . . . .
O5B O 0.2354(4) 0.59365(19) 0.59016(10) 0.0274(9) Uani 1 1 d . . . . .
O7 O 0.7404(5) 0.0785(2) 0.58540(12) 0.0397(12) Uani 1 1 d . . . . .
O3 O 0.5573(4) 0.1155(2) 0.62572(12) 0.0309(10) Uani 1 1 d . . . . .
O8B O 0.0628(4) 0.7898(2) 0.58050(10) 0.0302(10) Uani 1 1 d . . . . .
O2 O 0.7763(4) 0.17668(18) 0.61926(10) 0.0256(9) Uani 1 1 d . . . . .
C11B C -0.3103(7) 0.4479(3) 0.68530(18) 0.0340(15) Uani 1 1 d . . . . .
C15 C 0.7826(6) 0.0634(3) 0.65242(15) 0.0242(12) Uani 1 1 d . . . . .
O6B O -0.1751(4) 0.57016(19) 0.57769(10) 0.0291(10) Uani 1 1 d . . . . .
C6 C 0.3335(6) 0.3837(3) 0.60441(17) 0.0327(15) Uani 1 1 d . . . . .
H6A H 0.3558 0.3902 0.5824 0.039 Uiso 1 1 calc R U . . .
C13 C 0.9014(6) 0.3075(3) 0.67961(15) 0.0273(13) Uani 1 1 d . . . . .
H13 H 0.9409 0.3334 0.6641 0.033 Uiso 1 1 calc R U . . .
O5 O 0.5109(5) 0.2921(2) 0.56318(11) 0.0360(11) Uani 1 1 d . . . . .
C1 C 0.3879(5) 0.3342(3) 0.62081(15) 0.0243(12) Uani 1 1 d . . . . .
C26 C 0.1561(6) 0.1837(3) 0.69341(16) 0.0298(14) Uani 1 1 d . . . . .
H26 H 0.0812 0.2087 0.6956 0.036 Uiso 1 1 calc R U . . .
C2B C 0.3493(6) 0.5746(3) 0.66054(17) 0.0317(14) Uani 1 1 d . . . . .
H2B H 0.3966 0.5655 0.6414 0.038 Uiso 1 1 calc R U . . .
C22B C 0.1801(6) 0.8138(2) 0.64180(13) 0.0211(12) Uani 1 1 d . . . . .
O4B O 0.1570(4) 0.69770(18) 0.61356(10) 0.0259(9) Uani 1 1 d . . . . .
C8B C -0.2117(5) 0.5365(2) 0.64235(13) 0.0187(11) Uani 1 1 d . . . . .
C12B C -0.3287(10) 0.4427(4) 0.65286(19) 0.055(2) Uani 1 1 d . . . . .
H12B H -0.3764 0.4090 0.6447 0.066 Uiso 1 1 calc R U . . .
C13B C -0.2790(8) 0.4859(3) 0.63102(18) 0.0450(19) Uani 1 1 d . . . . .
H13B H -0.2915 0.4805 0.6085 0.054 Uiso 1 1 calc R U . . .
C27 C 0.2198(6) 0.1822(3) 0.66418(17) 0.0306(14) Uani 1 1 d . . . . .
H27 H 0.1868 0.2056 0.6467 0.037 Uiso 1 1 calc R U . . .
C4 C 0.2105(6) 0.4148(3) 0.65123(18) 0.0318(14) Uani 1 1 d . . . . .
C6B C 0.1665(6) 0.6173(3) 0.68715(15) 0.0293(14) Uani 1 1 d . . . . .
H6BA H 0.0862 0.6387 0.6866 0.035 Uiso 1 1 calc R U . . .
C3B C 0.3993(7) 0.5570(3) 0.68998(19) 0.0408(18) Uani 1 1 d . . . . .
H3B H 0.4810 0.5369 0.6907 0.049 Uiso 1 1 calc R U . . .
C25 C 0.1977(6) 0.1499(3) 0.71974(15) 0.0274(13) Uani 1 1 d . . . . .
C11 C 0.8731(6) 0.2791(3) 0.73573(15) 0.0295(14) Uani 1 1 d . . . . .
C30B C 0.4320(9) 0.5328(4) 0.5567(2) 0.055(2) Uani 1 1 d . . . . .
H30A H 0.4763 0.5198 0.5765 0.083 Uiso 1 1 calc R U . . .
H30B H 0.4959 0.5371 0.5392 0.083 Uiso 1 1 calc R U . . .
H30C H 0.3669 0.5024 0.5505 0.083 Uiso 1 1 calc R U . . .
C23B C 0.2991(6) 0.7970(3) 0.65477(15) 0.0305(14) Uani 1 1 d . . . . .
H23B H 0.3315 0.7573 0.6508 0.037 Uiso 1 1 calc R U . . .
C5B C 0.2162(7) 0.5991(3) 0.71676(15) 0.0318(14) Uani 1 1 d . . . . .
H5BA H 0.1701 0.6077 0.7361 0.038 Uiso 1 1 calc R U . . .
C1B C 0.2307(6) 0.6053(3) 0.65812(14) 0.0230(12) Uani 1 1 d . . . . .
C4B C 0.3343(7) 0.5679(4) 0.71790(18) 0.0410(18) Uani 1 1 d . . . . .
C24B C 0.3717(6) 0.8366(3) 0.67332(19) 0.0380(17) Uani 1 1 d . . . . .
H24B H 0.4529 0.8235 0.6818 0.046 Uiso 1 1 calc R U . . .
C20B C -0.2414(6) 0.7873(3) 0.68882(16) 0.0278(13) Uani 1 1 d . . . . .
H20B H -0.1738 0.8136 0.6818 0.033 Uiso 1 1 calc R U . . .
C16B C -0.3839(6) 0.7028(3) 0.68070(15) 0.0252(13) Uani 1 1 d . . . . .
H16B H -0.4166 0.6711 0.6674 0.030 Uiso 1 1 calc R U . . .
C10B C -0.2435(7) 0.4979(3) 0.69642(17) 0.0337(15) Uani 1 1 d . . . . .
H10B H -0.2307 0.5030 0.7190 0.040 Uiso 1 1 calc R U . . .
C20 C 0.8914(6) 0.0819(3) 0.66991(16) 0.0308(14) Uani 1 1 d . . . . .
H20 H 0.9305 0.1201 0.6654 0.037 Uiso 1 1 calc R U . . .
C9 C 0.7614(6) 0.2252(3) 0.69303(15) 0.0255(13) Uani 1 1 d . . . . .
H9 H 0.7032 0.1938 0.6868 0.031 Uiso 1 1 calc R U . . .
C10 C 0.7889(6) 0.2332(3) 0.72561(15) 0.0301(14) Uani 1 1 d . . . . .
H10 H 0.7500 0.2072 0.7412 0.036 Uiso 1 1 calc R U . . .
C2 C 0.3535(6) 0.3272(3) 0.65286(15) 0.0283(13) Uani 1 1 d . . . . .
H2 H 0.3905 0.2948 0.6649 0.034 Uiso 1 1 calc R U . . .
C22 C 0.3317(6) 0.1471(3) 0.65945(15) 0.0247(12) Uani 1 1 d . . . . .
C3 C 0.2660(7) 0.3661(3) 0.66800(17) 0.0320(14) Uani 1 1 d . . . . .
H3 H 0.2438 0.3595 0.6900 0.038 Uiso 1 1 calc R U . . .
C7 C 0.1118(7) 0.4552(3) 0.6678(2) 0.0434(19) Uani 1 1 d . . . . .
H7A H 0.0313 0.4323 0.6714 0.065 Uiso 1 1 calc R U . . .
H7C H 0.0935 0.4905 0.6541 0.065 Uiso 1 1 calc R U . . .
H7D H 0.1467 0.4689 0.6885 0.065 Uiso 1 1 calc R U . . .
C19B C -0.2977(6) 0.7959(3) 0.71912(15) 0.0287(13) Uani 1 1 d . . . . .
H19B H -0.2695 0.8289 0.7321 0.034 Uiso 1 1 calc R U . . .
C5 C 0.2473(6) 0.4237(3) 0.61955(19) 0.0354(16) Uani 1 1 d . . . . .
H5A H 0.2137 0.4574 0.6079 0.042 Uiso 1 1 calc R U . . .
C9B C -0.1947(6) 0.5409(3) 0.67513(15) 0.0289(14) Uani 1 1 d . . . . .
H9B H -0.1479 0.5745 0.6836 0.035 Uiso 1 1 calc R U . . .
C12 C 0.9290(6) 0.3157(3) 0.71214(17) 0.0317(14) Uani 1 1 d . . . . .
H12 H 0.9874 0.3470 0.7184 0.038 Uiso 1 1 calc R U . . .
C23 C 0.3731(7) 0.1127(3) 0.68579(16) 0.0338(15) Uani 1 1 d . . . . .
H23 H 0.4476 0.0876 0.6835 0.041 Uiso 1 1 calc R U . . .
C25B C 0.3296(7) 0.8942(3) 0.67971(16) 0.0350(15) Uani 1 1 d . . . . .
C35 C 0.1080(8) 0.0342(4) 0.6058(2) 0.055(2) Uani 1 1 d . . . . .
H35G H 0.1220 0.0417 0.6289 0.082 Uiso 1 1 calc R U . . .
H35H H 0.0724 -0.0066 0.6027 0.082 Uiso 1 1 calc R U . . .
H35I H 0.0467 0.0643 0.5972 0.082 Uiso 1 1 calc R U . . .
C18 C 0.8913(7) -0.0110(3) 0.70144(17) 0.0340(15) Uani 1 1 d . . . . .
C27B C 0.1366(7) 0.8731(3) 0.64848(16) 0.0297(14) Uani 1 1 d . . . . .
H27B H 0.0553 0.8863 0.6401 0.036 Uiso 1 1 calc R U . . .
C8 C 0.8161(5) 0.2616(3) 0.66911(14) 0.0211(11) Uani 1 1 d . . . . .
C15B C -0.2833(5) 0.7402(2) 0.66861(13) 0.0194(11) Uani 1 1 d . . . . .
C26B C 0.2102(7) 0.9121(3) 0.66697(16) 0.0340(15) Uani 1 1 d . . . . .
H26B H 0.1789 0.9519 0.6711 0.041 Uiso 1 1 calc R U . . .
C29B C 0.4660(8) 0.6646(4) 0.5794(2) 0.052(2) Uani 1 1 d . . . . .
H29A H 0.4183 0.7022 0.5839 0.078 Uiso 1 1 calc R U . . .
H29B H 0.5335 0.6725 0.5632 0.078 Uiso 1 1 calc R U . . .
H29C H 0.5065 0.6498 0.5993 0.078 Uiso 1 1 calc R U . . .
C17B C -0.4358(6) 0.7108(3) 0.71099(16) 0.0312(14) Uani 1 1 d . . . . .
H17B H -0.5015 0.6839 0.7185 0.037 Uiso 1 1 calc R U . . .
C18B C -0.3934(6) 0.7578(3) 0.73083(16) 0.0306(14) Uani 1 1 d . . . . .
C29 C 0.6742(8) 0.3942(3) 0.5533(2) 0.050(2) Uani 1 1 d . . . . .
H29D H 0.6108 0.4199 0.5646 0.075 Uiso 1 1 calc R U . . .
H29E H 0.7171 0.4178 0.5363 0.075 Uiso 1 1 calc R U . . .
H29F H 0.7394 0.3796 0.5688 0.075 Uiso 1 1 calc R U . . .
C19 C 0.9435(6) 0.0450(3) 0.69399(18) 0.0353(16) Uani 1 1 d . . . . .
H19 H 1.0174 0.0588 0.7057 0.042 Uiso 1 1 calc R U . . .
C21 C 0.9448(8) -0.0491(4) 0.7282(2) 0.050(2) Uani 1 1 d . . . . .
H21D H 1.0400 -0.0496 0.7269 0.075 Uiso 1 1 calc R U . . .
H21E H 0.9117 -0.0907 0.7261 0.075 Uiso 1 1 calc R U . . .
H21F H 0.9178 -0.0322 0.7490 0.075 Uiso 1 1 calc R U . . .
C16 C 0.7298(7) 0.0062(3) 0.65961(18) 0.0357(16) Uani 1 1 d . . . . .
H16 H 0.6574 -0.0082 0.6476 0.043 Uiso 1 1 calc R U . . .
C17 C 0.7817(8) -0.0294(3) 0.68389(18) 0.0386(17) Uani 1 1 d . . . . .
H17 H 0.7421 -0.0673 0.6888 0.046 Uiso 1 1 calc R U . . .
C28 C 0.1279(7) 0.1510(3) 0.75140(17) 0.0385(16) Uani 1 1 d . . . . .
H28D H 0.1136 0.1092 0.7588 0.058 Uiso 1 1 calc R U . . .
H28E H 0.0438 0.1714 0.7488 0.058 Uiso 1 1 calc R U . . .
H28F H 0.1804 0.1729 0.7673 0.058 Uiso 1 1 calc R U . . .
C21B C -0.4488(7) 0.7668(4) 0.76422(18) 0.0428(18) Uani 1 1 d . . . . .
H21A H -0.5392 0.7805 0.7625 0.064 Uiso 1 1 calc R U . . .
H21B H -0.3974 0.7973 0.7758 0.064 Uiso 1 1 calc R U . . .
H21C H -0.4458 0.7283 0.7761 0.064 Uiso 1 1 calc R U . . .
C14B C -0.3690(8) 0.4018(3) 0.7084(2) 0.047(2) Uani 1 1 d . . . . .
H14A H -0.4564 0.4150 0.7148 0.070 Uiso 1 1 calc R U . . .
H14B H -0.3140 0.3984 0.7277 0.070 Uiso 1 1 calc R U . . .
H14C H -0.3745 0.3622 0.6977 0.070 Uiso 1 1 calc R U . . .
C24 C 0.3087(7) 0.1141(3) 0.71521(17) 0.0372(16) Uani 1 1 d . . . . .
H24 H 0.3406 0.0903 0.7326 0.045 Uiso 1 1 calc R U . . .
C14 C 0.9015(8) 0.2881(3) 0.77083(15) 0.0367(16) Uani 1 1 d . . . . .
H14D H 0.8637 0.3267 0.7780 0.055 Uiso 1 1 calc R U . . .
H14E H 0.9959 0.2890 0.7742 0.055 Uiso 1 1 calc R U . . .
H14F H 0.8636 0.2547 0.7833 0.055 Uiso 1 1 calc R U . . .
C28B C 0.4101(8) 0.9383(4) 0.6995(2) 0.050(2) Uani 1 1 d . . . . .
H28A H 0.4502 0.9683 0.6851 0.075 Uiso 1 1 calc R U . . .
H28B H 0.4783 0.9161 0.7110 0.075 Uiso 1 1 calc R U . . .
H28C H 0.3539 0.9591 0.7151 0.075 Uiso 1 1 calc R U . . .
C30 C 0.7062(9) 0.2781(4) 0.5153(2) 0.053(2) Uani 1 1 d . . . . .
H30D H 0.7714 0.2645 0.5310 0.080 Uiso 1 1 calc R U . . .
H30E H 0.7495 0.2998 0.4976 0.080 Uiso 1 1 calc R U . . .
H30F H 0.6596 0.2429 0.5066 0.080 Uiso 1 1 calc R U . . .
C31 C 1.0397(8) 0.3437(4) 0.5591(2) 0.058(3) Uani 1 1 d . . . . .
H31D H 0.9861 0.3340 0.5402 0.087 Uiso 1 1 calc R U . . .
H31E H 1.1309 0.3477 0.5524 0.087 Uiso 1 1 calc R U . . .
H31F H 1.0100 0.3820 0.5686 0.087 Uiso 1 1 calc R U . . .
C32 C 1.0619(9) 0.2066(4) 0.5715(2) 0.062(3) Uani 1 1 d . . . . .
H32D H 1.0690 0.1766 0.5889 0.093 Uiso 1 1 calc R U . . .
H32E H 1.1443 0.2086 0.5596 0.093 Uiso 1 1 calc R U . . .
H32F H 0.9919 0.1948 0.5567 0.093 Uiso 1 1 calc R U . . .
C32B C -0.0112(9) 0.5315(4) 0.5268(2) 0.056(2) Uani 1 1 d . . . . .
H32A H 0.0646 0.5361 0.5409 0.083 Uiso 1 1 calc R U . . .
H32B H 0.0136 0.5412 0.5045 0.083 Uiso 1 1 calc R U . . .
H32C H -0.0428 0.4896 0.5278 0.083 Uiso 1 1 calc R U . . .
C33 C 0.6198(16) 0.1078(5) 0.5262(3) 0.113(6) Uani 1 1 d . . . . .
H33D H 0.5545 0.1302 0.5386 0.169 Uiso 1 1 calc R U . . .
H33E H 0.5781 0.0887 0.5074 0.169 Uiso 1 1 calc R U . . .
H33F H 0.6876 0.1358 0.5188 0.169 Uiso 1 1 calc R U . . .
C7B C 0.3876(9) 0.5463(6) 0.7502(2) 0.076(3) Uani 1 1 d . . . . .
H7BB H 0.3395 0.5102 0.7572 0.113 Uiso 1 1 calc R U . . .
H7BC H 0.3777 0.5785 0.7663 0.113 Uiso 1 1 calc R U . . .
H7BD H 0.4800 0.5362 0.7478 0.113 Uiso 1 1 calc R U . . .
C33B C -0.3518(10) 0.8289(4) 0.54432(17) 0.054(2) Uani 1 1 d . . . . .
H33A H -0.2757 0.8135 0.5326 0.081 Uiso 1 1 calc R U . . .
H33B H -0.3750 0.8691 0.5360 0.081 Uiso 1 1 calc R U . . .
H33C H -0.4251 0.8011 0.5412 0.081 Uiso 1 1 calc R U . . .
C31B C -0.0930(11) 0.6636(4) 0.53523(19) 0.059(2) Uani 1 1 d . . . . .
H31A H -0.1586 0.6896 0.5454 0.088 Uiso 1 1 calc R U . . .
H31B H -0.0869 0.6734 0.5122 0.088 Uiso 1 1 calc R U . . .
H31C H -0.0084 0.6703 0.5455 0.088 Uiso 1 1 calc R U . . .
C36 C 0.2387(10) 0.0440(5) 0.5397(2) 0.051(2) Uani 0.85 1 d . . P E 1
H36G H 0.1855 0.0795 0.5343 0.076 Uiso 0.85 1 calc R U P E 1
H36H H 0.1940 0.0071 0.5325 0.076 Uiso 0.85 1 calc R U P E 1
H36I H 0.3231 0.0471 0.5288 0.076 Uiso 0.85 1 calc R U P E 1
C34B C -0.4182(17) 0.8761(6) 0.6106(4) 0.047(4) Uani 0.5 1 d . . P F 1
H34A H -0.4996 0.8536 0.6136 0.070 Uiso 0.5 1 calc R U P F 1
H34B H -0.4367 0.9149 0.5999 0.070 Uiso 0.5 1 calc R U P F 1
H34C H -0.3782 0.8838 0.6317 0.070 Uiso 0.5 1 calc R U P F 1
Si8B Si 0.1489(4) 0.8084(2) 0.54764(9) 0.0299(8) Uani 0.5 1 d D . P G 1
H8B H 0.2037 0.7730 0.5410 0.036 Uiso 0.5 1 calc R U P G 1
Si8C Si 0.1124(4) 0.8411(2) 0.55473(9) 0.0280(8) Uani 0.5 1 d D . P G 2
H8C H 0.0771 0.8808 0.5624 0.034 Uiso 0.5 1 calc R U P G 2
C34 C 0.8288(12) 0.0089(6) 0.5331(3) 0.098(4) Uani 1 1 d . . . . .
H34G H 0.8939 0.0384 0.5259 0.147 Uiso 1 1 calc R U . . .
H34H H 0.7973 -0.0145 0.5146 0.147 Uiso 1 1 calc R U . . .
H34I H 0.8683 -0.0187 0.5489 0.147 Uiso 1 1 calc R U . . .
C34C C -0.211(2) 0.8912(8) 0.6007(5) 0.079(7) Uani 0.5 1 d . . P F 2
H34D H -0.1899 0.8843 0.6235 0.118 Uiso 0.5 1 calc R U P F 2
H34E H -0.2539 0.9307 0.5983 0.118 Uiso 0.5 1 calc R U P F 2
H34F H -0.1308 0.8908 0.5879 0.118 Uiso 0.5 1 calc R U P F 2
C35B C 0.255(2) 0.8721(12) 0.5579(11) 0.069(8) Uani 0.5 1 d D U P G 1
H35A H 0.3086 0.8826 0.5392 0.104 Uiso 0.5 1 calc . U P H 1
H35B H 0.3112 0.8607 0.5760 0.104 Uiso 0.5 1 calc . U P I 1
H35C H 0.2016 0.9071 0.5641 0.104 Uiso 0.5 1 calc . U P J 1
C35C C 0.2892(19) 0.8473(14) 0.5563(11) 0.069(8) Uani 0.5 1 d D . P G 2
H35D H 0.3157 0.8618 0.5777 0.104 Uiso 0.5 1 calc . U P K 2
H35E H 0.3188 0.8761 0.5398 0.104 Uiso 0.5 1 calc . U P L 2
H35F H 0.3282 0.8075 0.5522 0.104 Uiso 0.5 1 calc . U P M 2
C36A C 0.357(7) -0.025(3) 0.5998(18) 0.075(19) Uani 0.15 1 d . U P E 2
H36J H 0.3136 -0.0626 0.5937 0.112 Uiso 0.15 1 calc R U P E 2
H36K H 0.4454 -0.0243 0.5907 0.112 Uiso 0.15 1 calc R U P E 2
H36L H 0.3629 -0.0223 0.6234 0.112 Uiso 0.15 1 calc R U P E 2
C36B C 0.0383(10) 0.8266(5) 0.5155(2) 0.078(4) Uani 1 1 d . . . . .
H36A H -0.0114 0.7902 0.5096 0.116 Uiso 0.5 1 calc R U P G 1
H36B H 0.0875 0.8409 0.4967 0.116 Uiso 0.5 1 calc R U P G 1
H36C H -0.0217 0.8584 0.5226 0.116 Uiso 0.5 1 calc R U P G 1
H36D H 0.0662 0.7867 0.5075 0.116 Uiso 0.5 1 calc R U P G 2
H36E H 0.0654 0.8580 0.5002 0.116 Uiso 0.5 1 calc R U P G 2
H36F H -0.0567 0.8271 0.5176 0.116 Uiso 0.5 1 calc R U P G 2


_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
Si2B O2B 1.614(4) . ?
Si2B O1B 1.615(4) . ?
Si2B O6B 1.604(4) . ?
Si2B C8B 1.842(6) . ?
Si4B O3B 1.612(4) . ?
Si4B O8B 1.609(4) . ?
Si4B C22B 1.842(6) . ?
Si4B O4B 1.621(4) . ?
Si1 O1 1.614(4) . ?
Si1 O4 1.614(4) . ?
Si1 O5 1.613(5) . ?
Si1 C1 1.838(6) . ?
Si1B O1B 1.609(4) . ?
Si1B O5B 1.610(4) . ?
Si1B O4B 1.610(4) . ?
Si1B C1B 1.835(6) . ?
Si3 O7 1.601(5) . ?
Si3 O3 1.612(4) . ?
Si3 O2 1.612(4) . ?
Si3 C15 1.853(6) . ?
Si4 O4 1.619(4) . ?
Si4 O8 1.603(5) . ?
Si4 O3 1.617(4) . ?
Si4 C22 1.848(7) . ?
Si2 O1 1.615(4) . ?
Si2 O6 1.602(4) . ?
Si2 O2 1.622(4) . ?
Si2 C8 1.839(6) . ?
Si3B O2B 1.619(4) . ?
Si3B O3B 1.619(4) . ?
Si3B O7B 1.605(4) . ?
Si3B C15B 1.834(6) . ?
Si8 H8A 1.0000 . ?
Si8 H8BA 1.0000 . ?
Si8 O8 1.632(5) . ?
Si8 C35 1.843(9) . ?
Si8 C36 1.861(9) . ?
Si8 C36A 1.85(7) . ?
Si6 H6 1.0000 . ?
Si6 O6 1.647(4) . ?
Si6 C31 1.843(8) . ?
Si6 C32 1.862(9) . ?
Si5B H5B 1.0000 . ?
Si5B O5B 1.642(4) . ?
Si5B C30B 1.841(8) . ?
Si5B C29B 1.860(8) . ?
Si6B H6B 1.0000 . ?
Si6B O6B 1.626(4) . ?
Si6B C32B 1.834(8) . ?
Si6B C31B 1.844(8) . ?
Si5 H5 1.0000 . ?
Si5 O5 1.633(5) . ?
Si5 C29 1.832(8) . ?
Si5 C30 1.835(8) . ?
Si7 H7 1.0000 . ?
Si7 O7 1.611(5) . ?
Si7 C33 1.838(11) . ?
Si7 C34 1.821(11) . ?
Si7B H7B 1.0000 . ?
Si7B H7BA 1.0000 . ?
Si7B O7B 1.638(5) . ?
Si7B C33B 1.824(8) . ?
Si7B C34B 1.710(15) . ?
Si7B C34C 1.73(2) . ?
O8B Si8B 1.674(6) . ?
O8B Si8C 1.636(5) . ?
C11B C12B 1.360(11) . ?
C11B C10B 1.376(10) . ?
C11B C14B 1.521(9) . ?
C15 C20 1.393(9) . ?
C15 C16 1.404(9) . ?
C6 H6A 0.9500 . ?
C6 C1 1.400(9) . ?
C6 C5 1.399(9) . ?
C13 H13 0.9500 . ?
C13 C12 1.388(9) . ?
C13 C8 1.405(8) . ?
C1 C2 1.382(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.376(9) . ?
C26 C25 1.386(9) . ?
C2B H2B 0.9500 . ?
C2B C3B 1.377(10) . ?
C2B C1B 1.398(8) . ?
C22B C23B 1.386(9) . ?
C22B C27B 1.407(8) . ?
C8B C13B 1.393(8) . ?
C8B C9B 1.371(8) . ?
C12B H12B 0.9500 . ?
C12B C13B 1.408(10) . ?
C13B H13B 0.9500 . ?
C27 H27 0.9500 . ?
C27 C22 1.400(8) . ?
C4 C3 1.400(9) . ?
C4 C7 1.512(9) . ?
C4 C5 1.378(10) . ?
C6B H6BA 0.9500 . ?
C6B C5B 1.387(9) . ?
C6B C1B 1.396(9) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.356(11) . ?
C25 C28 1.494(9) . ?
C25 C24 1.400(9) . ?
C11 C10 1.394(9) . ?
C11 C12 1.390(9) . ?
C11 C14 1.495(9) . ?
C30B H30A 0.9800 . ?
C30B H30B 0.9800 . ?
C30B H30C 0.9800 . ?
C23B H23B 0.9500 . ?
C23B C24B 1.382(9) . ?
C5B H5BA 0.9500 . ?
C5B C4B 1.395(10) . ?
C4B C7B 1.519(10) . ?
C24B H24B 0.9500 . ?
C24B C25B 1.366(10) . ?
C20B H20B 0.9500 . ?
C20B C19B 1.394(9) . ?
C20B C15B 1.399(8) . ?
C16B H16B 0.9500 . ?
C16B C15B 1.414(8) . ?
C16B C17B 1.374(9) . ?
C10B H10B 0.9500 . ?
C10B C9B 1.388(9) . ?
C20 H20 0.9500 . ?
C20 C19 1.394(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.389(8) . ?
C9 C8 1.393(8) . ?
C10 H10 0.9500 . ?
C2 H2 0.9500 . ?
C2 C3 1.391(9) . ?
C22 C23 1.394(9) . ?
C3 H3 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7C 0.9800 . ?
C7 H7D 0.9800 . ?
C19B H19B 0.9500 . ?
C19B C18B 1.380(9) . ?
C5 H5A 0.9500 . ?
C9B H9B 0.9500 . ?
C12 H12 0.9500 . ?
C23 H23 0.9500 . ?
C23 C24 1.385(10) . ?
C25B C26B 1.392(10) . ?
C25B C28B 1.515(10) . ?
C35 H35G 0.9800 . ?
C35 H35H 0.9800 . ?
C35 H35I 0.9800 . ?
C18 C19 1.379(10) . ?
C18 C21 1.494(10) . ?
C18 C17 1.400(10) . ?
C27B H27B 0.9500 . ?
C27B C26B 1.377(9) . ?
C26B H26B 0.9500 . ?
C29B H29A 0.9800 . ?
C29B H29B 0.9800 . ?
C29B H29C 0.9800 . ?
C17B H17B 0.9500 . ?
C17B C18B 1.391(9) . ?
C18B C21B 1.508(9) . ?
C29 H29D 0.9800 . ?
C29 H29E 0.9800 . ?
C29 H29F 0.9800 . ?
C19 H19 0.9500 . ?
C21 H21D 0.9800 . ?
C21 H21E 0.9800 . ?
C21 H21F 0.9800 . ?
C16 H16 0.9500 . ?
C16 C17 1.382(10) . ?
C17 H17 0.9500 . ?
C28 H28D 0.9800 . ?
C28 H28E 0.9800 . ?
C28 H28F 0.9800 . ?
C21B H21A 0.9800 . ?
C21B H21B 0.9800 . ?
C21B H21C 0.9800 . ?
C14B H14A 0.9800 . ?
C14B H14B 0.9800 . ?
C14B H14C 0.9800 . ?
C24 H24 0.9500 . ?
C14 H14D 0.9800 . ?
C14 H14E 0.9800 . ?
C14 H14F 0.9800 . ?
C28B H28A 0.9800 . ?
C28B H28B 0.9800 . ?
C28B H28C 0.9800 . ?
C30 H30D 0.9800 . ?
C30 H30E 0.9800 . ?
C30 H30F 0.9800 . ?
C31 H31D 0.9800 . ?
C31 H31E 0.9800 . ?
C31 H31F 0.9800 . ?
C32 H32D 0.9800 . ?
C32 H32E 0.9800 . ?
C32 H32F 0.9800 . ?
C32B H32A 0.9800 . ?
C32B H32B 0.9800 . ?
C32B H32C 0.9800 . ?
C33 H33D 0.9800 . ?
C33 H33E 0.9800 . ?
C33 H33F 0.9800 . ?
C7B H7BB 0.9800 . ?
C7B H7BC 0.9800 . ?
C7B H7BD 0.9800 . ?
C33B H33A 0.9800 . ?
C33B H33B 0.9800 . ?
C33B H33C 0.9800 . ?
C31B H31A 0.9800 . ?
C31B H31B 0.9800 . ?
C31B H31C 0.9800 . ?
C36 H36G 0.9800 . ?
C36 H36H 0.9800 . ?
C36 H36I 0.9800 . ?
C34B H34A 0.9800 . ?
C34B H34B 0.9800 . ?
C34B H34C 0.9800 . ?
Si8B H8B 1.0000 . ?
Si8B C35B 1.83(2) . ?
Si8B C36B 1.796(10) . ?
Si8C H8C 1.0000 . ?
Si8C C35C 1.823(19) . ?
Si8C C36B 1.822(9) . ?
C34 H34G 0.9800 . ?
C34 H34H 0.9800 . ?
C34 H34I 0.9800 . ?
C34C H34D 0.9800 . ?
C34C H34E 0.9800 . ?
C34C H34F 0.9800 . ?
C35B H35A 0.9800 . ?
C35B H35B 0.9800 . ?
C35B H35C 0.9800 . ?
C35C H35D 0.9800 . ?
C35C H35E 0.9800 . ?
C35C H35F 0.9800 . ?
C36A H36J 0.9800 . ?
C36A H36K 0.9800 . ?
C36A H36L 0.9800 . ?
C36B H36A 0.9800 . ?
C36B H36B 0.9800 . ?
C36B H36C 0.9800 . ?
C36B H36D 0.9800 . ?
C36B H36E 0.9800 . ?
C36B H36F 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
O2B Si2B O1B 107.8(2) . . ?
O2B Si2B C8B 110.5(2) . . ?
O1B Si2B C8B 110.5(2) . . ?
O6B Si2B O2B 109.2(2) . . ?
O6B Si2B O1B 110.3(2) . . ?
O6B Si2B C8B 108.6(2) . . ?
O3B Si4B C22B 109.8(3) . . ?
O3B Si4B O4B 109.1(2) . . ?
O8B Si4B O3B 108.1(2) . . ?
O8B Si4B C22B 111.7(2) . . ?
O8B Si4B O4B 109.1(2) . . ?
O4B Si4B C22B 109.0(3) . . ?
O1 Si1 O4 108.4(2) . . ?
O1 Si1 C1 108.7(3) . . ?
O4 Si1 C1 109.5(2) . . ?
O5 Si1 O1 111.0(3) . . ?
O5 Si1 O4 107.8(2) . . ?
O5 Si1 C1 111.4(3) . . ?
O1B Si1B O5B 109.0(2) . . ?
O1B Si1B O4B 109.7(2) . . ?
O1B Si1B C1B 108.2(3) . . ?
O5B Si1B C1B 110.0(3) . . ?
O4B Si1B O5B 108.7(2) . . ?
O4B Si1B C1B 111.4(3) . . ?
O7 Si3 O3 110.7(3) . . ?
O7 Si3 O2 108.3(3) . . ?
O7 Si3 C15 109.6(3) . . ?
O3 Si3 C15 108.2(3) . . ?
O2 Si3 O3 109.7(2) . . ?
O2 Si3 C15 110.4(3) . . ?
O4 Si4 C22 110.9(2) . . ?
O8 Si4 O4 105.9(2) . . ?
O8 Si4 O3 110.2(3) . . ?
O8 Si4 C22 112.1(3) . . ?
O3 Si4 O4 110.4(2) . . ?
O3 Si4 C22 107.3(3) . . ?
O1 Si2 O2 109.8(2) . . ?
O1 Si2 C8 109.2(2) . . ?
O6 Si2 O1 107.7(2) . . ?
O6 Si2 O2 109.7(2) . . ?
O6 Si2 C8 111.7(3) . . ?
O2 Si2 C8 108.7(2) . . ?
O2B Si3B O3B 110.8(2) . . ?
O2B Si3B C15B 109.3(2) . . ?
O3B Si3B C15B 106.6(2) . . ?
O7B Si3B O2B 107.4(2) . . ?
O7B Si3B O3B 109.4(2) . . ?
O7B Si3B C15B 113.4(2) . . ?
O8 Si8 H8A 110.0 . . ?
O8 Si8 H8BA 111.3 . . ?
O8 Si8 C35 109.5(3) . . ?
O8 Si8 C36 106.2(4) . . ?
O8 Si8 C36A 110(2) . . ?
C35 Si8 H8A 110.0 . . ?
C35 Si8 H8BA 111.3 . . ?
C35 Si8 C36 111.2(4) . . ?
C35 Si8 C36A 103(2) . . ?
C36 Si8 H8A 110.0 . . ?
C36A Si8 H8BA 111.3 . . ?
O6 Si6 H6 109.2 . . ?
O6 Si6 C31 107.7(3) . . ?
O6 Si6 C32 109.4(4) . . ?
C31 Si6 H6 109.2 . . ?
C31 Si6 C32 112.0(5) . . ?
C32 Si6 H6 109.2 . . ?
O5B Si5B H5B 109.3 . . ?
O5B Si5B C30B 106.5(3) . . ?
O5B Si5B C29B 110.1(3) . . ?
C30B Si5B H5B 109.3 . . ?
C30B Si5B C29B 112.2(4) . . ?
C29B Si5B H5B 109.3 . . ?
O6B Si6B H6B 108.7 . . ?
O6B Si6B C32B 109.5(4) . . ?
O6B Si6B C31B 109.3(3) . . ?
C32B Si6B H6B 108.7 . . ?
C32B Si6B C31B 111.9(5) . . ?
C31B Si6B H6B 108.7 . . ?
O5 Si5 H5 108.8 . . ?
O5 Si5 C29 109.7(3) . . ?
O5 Si5 C30 109.7(3) . . ?
C29 Si5 H5 108.8 . . ?
C29 Si5 C30 110.9(4) . . ?
C30 Si5 H5 108.8 . . ?
O7 Si7 H7 107.9 . . ?
O7 Si7 C33 109.6(4) . . ?
O7 Si7 C34 109.3(4) . . ?
C33 Si7 H7 107.9 . . ?
C34 Si7 H7 107.9 . . ?
C34 Si7 C33 114.2(7) . . ?
O7B Si7B H7B 104.7 . . ?
O7B Si7B H7BA 104.2 . . ?
O7B Si7B C33B 108.1(3) . . ?
O7B Si7B C34B 116.2(6) . . ?
O7B Si7B C34C 114.8(7) . . ?
C33B Si7B H7B 104.7 . . ?
C33B Si7B H7BA 104.2 . . ?
C34B Si7B H7B 104.7 . . ?
C34B Si7B C33B 116.9(6) . . ?
C34C Si7B H7BA 104.2 . . ?
C34C Si7B C33B 119.5(8) . . ?
Si1 O1 Si2 153.7(3) . . ?
Si1 O4 Si4 152.6(3) . . ?
Si2 O6 Si6 143.8(3) . . ?
Si4 O8 Si8 150.0(3) . . ?
Si2B O2B Si3B 152.3(3) . . ?
Si4B O3B Si3B 149.7(3) . . ?
Si3B O7B Si7B 144.1(3) . . ?
Si1B O1B Si2B 164.6(3) . . ?
Si1B O5B Si5B 142.2(3) . . ?
Si3 O7 Si7 151.8(4) . . ?
Si3 O3 Si4 154.1(3) . . ?
Si4B O8B Si8B 140.3(3) . . ?
Si4B O8B Si8C 144.7(3) . . ?
Si3 O2 Si2 152.9(3) . . ?
C12B C11B C10B 117.8(6) . . ?
C12B C11B C14B 120.6(7) . . ?
C10B C11B C14B 121.4(7) . . ?
C20 C15 Si3 122.3(5) . . ?
C20 C15 C16 117.6(6) . . ?
C16 C15 Si3 120.1(5) . . ?
Si2B O6B Si6B 142.9(3) . . ?
C1 C6 H6A 119.1 . . ?
C5 C6 H6A 119.1 . . ?
C5 C6 C1 121.8(6) . . ?
C12 C13 H13 119.3 . . ?
C12 C13 C8 121.4(6) . . ?
C8 C13 H13 119.3 . . ?
Si1 O5 Si5 147.9(3) . . ?
C6 C1 Si1 123.2(5) . . ?
C2 C1 Si1 119.9(5) . . ?
C2 C1 C6 116.8(6) . . ?
C27 C26 H26 118.9 . . ?
C27 C26 C25 122.1(6) . . ?
C25 C26 H26 118.9 . . ?
C3B C2B H2B 119.2 . . ?
C3B C2B C1B 121.6(6) . . ?
C1B C2B H2B 119.2 . . ?
C23B C22B Si4B 122.4(5) . . ?
C23B C22B C27B 116.9(6) . . ?
C27B C22B Si4B 120.7(5) . . ?
Si1B O4B Si4B 149.3(3) . . ?
C13B C8B Si2B 120.4(5) . . ?
C9B C8B Si2B 122.7(4) . . ?
C9B C8B C13B 116.9(6) . . ?
C11B C12B H12B 119.1 . . ?
C11B C12B C13B 121.8(7) . . ?
C13B C12B H12B 119.1 . . ?
C8B C13B C12B 120.3(7) . . ?
C8B C13B H13B 119.9 . . ?
C12B C13B H13B 119.9 . . ?
C26 C27 H27 119.1 . . ?
C26 C27 C22 121.8(6) . . ?
C22 C27 H27 119.1 . . ?
C3 C4 C7 120.0(7) . . ?
C5 C4 C3 118.0(6) . . ?
C5 C4 C7 122.0(6) . . ?
C5B C6B H6BA 119.0 . . ?
C5B C6B C1B 122.1(6) . . ?
C1B C6B H6BA 119.0 . . ?
C2B C3B H3B 119.3 . . ?
C4B C3B C2B 121.4(7) . . ?
C4B C3B H3B 119.3 . . ?
C26 C25 C28 122.2(6) . . ?
C26 C25 C24 116.6(6) . . ?
C24 C25 C28 121.1(6) . . ?
C10 C11 C14 120.6(6) . . ?
C12 C11 C10 117.7(6) . . ?
C12 C11 C14 121.6(6) . . ?
Si5B C30B H30A 109.5 . . ?
Si5B C30B H30B 109.5 . . ?
Si5B C30B H30C 109.5 . . ?
H30A C30B H30B 109.5 . . ?
H30A C30B H30C 109.5 . . ?
H30B C30B H30C 109.5 . . ?
C22B C23B H23B 119.3 . . ?
C24B C23B C22B 121.5(6) . . ?
C24B C23B H23B 119.3 . . ?
C6B C5B H5BA 120.2 . . ?
C6B C5B C4B 119.5(6) . . ?
C4B C5B H5BA 120.2 . . ?
C2B C1B Si1B 122.8(5) . . ?
C6B C1B Si1B 120.9(5) . . ?
C6B C1B C2B 116.2(6) . . ?
C3B C4B C5B 119.1(6) . . ?
C3B C4B C7B 121.1(8) . . ?
C5B C4B C7B 119.8(7) . . ?
C23B C24B H24B 119.2 . . ?
C25B C24B C23B 121.6(6) . . ?
C25B C24B H24B 119.2 . . ?
C19B C20B H20B 119.7 . . ?
C19B C20B C15B 120.7(6) . . ?
C15B C20B H20B 119.7 . . ?
C15B C16B H16B 118.9 . . ?
C17B C16B H16B 118.9 . . ?
C17B C16B C15B 122.1(6) . . ?
C11B C10B H10B 119.5 . . ?
C11B C10B C9B 120.9(6) . . ?
C9B C10B H10B 119.5 . . ?
C15 C20 H20 119.7 . . ?
C15 C20 C19 120.6(6) . . ?
C19 C20 H20 119.7 . . ?
C10 C9 H9 118.8 . . ?
C10 C9 C8 122.3(6) . . ?
C8 C9 H9 118.8 . . ?
C11 C10 H10 119.7 . . ?
C9 C10 C11 120.7(6) . . ?
C9 C10 H10 119.7 . . ?
C1 C2 H2 119.1 . . ?
C1 C2 C3 121.9(6) . . ?
C3 C2 H2 119.1 . . ?
C27 C22 Si4 121.5(5) . . ?
C23 C22 Si4 122.3(5) . . ?
C23 C22 C27 116.2(6) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 C4 120.8(6) . . ?
C2 C3 H3 119.6 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7C 109.5 . . ?
C4 C7 H7D 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7A C7 H7D 109.5 . . ?
H7C C7 H7D 109.5 . . ?
C20B C19B H19B 119.0 . . ?
C18B C19B C20B 121.9(6) . . ?
C18B C19B H19B 119.0 . . ?
C6 C5 H5A 119.7 . . ?
C4 C5 C6 120.6(6) . . ?
C4 C5 H5A 119.7 . . ?
C8B C9B C10B 122.3(6) . . ?
C8B C9B H9B 118.9 . . ?
C10B C9B H9B 118.9 . . ?
C13 C12 C11 121.4(6) . . ?
C13 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C22 C23 H23 119.0 . . ?
C24 C23 C22 122.0(6) . . ?
C24 C23 H23 119.0 . . ?
C24B C25B C26B 117.9(6) . . ?
C24B C25B C28B 121.8(7) . . ?
C26B C25B C28B 120.3(7) . . ?
Si8 C35 H35G 109.5 . . ?
Si8 C35 H35H 109.5 . . ?
Si8 C35 H35I 109.5 . . ?
H35G C35 H35H 109.5 . . ?
H35G C35 H35I 109.5 . . ?
H35H C35 H35I 109.5 . . ?
C19 C18 C21 121.7(7) . . ?
C19 C18 C17 117.1(6) . . ?
C17 C18 C21 121.1(7) . . ?
C22B C27B H27B 119.5 . . ?
C26B C27B C22B 120.9(6) . . ?
C26B C27B H27B 119.5 . . ?
C13 C8 Si2 123.4(4) . . ?
C9 C8 Si2 120.1(4) . . ?
C9 C8 C13 116.5(5) . . ?
C20B C15B Si3B 120.2(4) . . ?
C20B C15B C16B 116.4(5) . . ?
C16B C15B Si3B 123.4(4) . . ?
C25B C26B H26B 119.4 . . ?
C27B C26B C25B 121.2(6) . . ?
C27B C26B H26B 119.4 . . ?
Si5B C29B H29A 109.5 . . ?
Si5B C29B H29B 109.5 . . ?
Si5B C29B H29C 109.5 . . ?
H29A C29B H29B 109.5 . . ?
H29A C29B H29C 109.5 . . ?
H29B C29B H29C 109.5 . . ?
C16B C17B H17B 119.6 . . ?
C16B C17B C18B 120.8(6) . . ?
C18B C17B H17B 119.6 . . ?
C19B C18B C17B 117.9(6) . . ?
C19B C18B C21B 120.7(6) . . ?
C17B C18B C21B 121.4(6) . . ?
Si5 C29 H29D 109.5 . . ?
Si5 C29 H29E 109.5 . . ?
Si5 C29 H29F 109.5 . . ?
H29D C29 H29E 109.5 . . ?
H29D C29 H29F 109.5 . . ?
H29E C29 H29F 109.5 . . ?
C20 C19 H19 118.9 . . ?
C18 C19 C20 122.2(6) . . ?
C18 C19 H19 118.9 . . ?
C18 C21 H21D 109.5 . . ?
C18 C21 H21E 109.5 . . ?
C18 C21 H21F 109.5 . . ?
H21D C21 H21E 109.5 . . ?
H21D C21 H21F 109.5 . . ?
H21E C21 H21F 109.5 . . ?
C15 C16 H16 119.5 . . ?
C17 C16 C15 121.0(6) . . ?
C17 C16 H16 119.5 . . ?
C18 C17 H17 119.2 . . ?
C16 C17 C18 121.5(6) . . ?
C16 C17 H17 119.2 . . ?
C25 C28 H28D 109.5 . . ?
C25 C28 H28E 109.5 . . ?
C25 C28 H28F 109.5 . . ?
H28D C28 H28E 109.5 . . ?
H28D C28 H28F 109.5 . . ?
H28E C28 H28F 109.5 . . ?
C18B C21B H21A 109.5 . . ?
C18B C21B H21B 109.5 . . ?
C18B C21B H21C 109.5 . . ?
H21A C21B H21B 109.5 . . ?
H21A C21B H21C 109.5 . . ?
H21B C21B H21C 109.5 . . ?
C11B C14B H14A 109.5 . . ?
C11B C14B H14B 109.5 . . ?
C11B C14B H14C 109.5 . . ?
H14A C14B H14B 109.5 . . ?
H14A C14B H14C 109.5 . . ?
H14B C14B H14C 109.5 . . ?
C25 C24 H24 119.4 . . ?
C23 C24 C25 121.2(6) . . ?
C23 C24 H24 119.4 . . ?
C11 C14 H14D 109.5 . . ?
C11 C14 H14E 109.5 . . ?
C11 C14 H14F 109.5 . . ?
H14D C14 H14E 109.5 . . ?
H14D C14 H14F 109.5 . . ?
H14E C14 H14F 109.5 . . ?
C25B C28B H28A 109.5 . . ?
C25B C28B H28B 109.5 . . ?
C25B C28B H28C 109.5 . . ?
H28A C28B H28B 109.5 . . ?
H28A C28B H28C 109.5 . . ?
H28B C28B H28C 109.5 . . ?
Si5 C30 H30D 109.5 . . ?
Si5 C30 H30E 109.5 . . ?
Si5 C30 H30F 109.5 . . ?
H30D C30 H30E 109.5 . . ?
H30D C30 H30F 109.5 . . ?
H30E C30 H30F 109.5 . . ?
Si6 C31 H31D 109.5 . . ?
Si6 C31 H31E 109.5 . . ?
Si6 C31 H31F 109.5 . . ?
H31D C31 H31E 109.5 . . ?
H31D C31 H31F 109.5 . . ?
H31E C31 H31F 109.5 . . ?
Si6 C32 H32D 109.5 . . ?
Si6 C32 H32E 109.5 . . ?
Si6 C32 H32F 109.5 . . ?
H32D C32 H32E 109.5 . . ?
H32D C32 H32F 109.5 . . ?
H32E C32 H32F 109.5 . . ?
Si6B C32B H32A 109.5 . . ?
Si6B C32B H32B 109.5 . . ?
Si6B C32B H32C 109.5 . . ?
H32A C32B H32B 109.5 . . ?
H32A C32B H32C 109.5 . . ?
H32B C32B H32C 109.5 . . ?
Si7 C33 H33D 109.5 . . ?
Si7 C33 H33E 109.5 . . ?
Si7 C33 H33F 109.5 . . ?
H33D C33 H33E 109.5 . . ?
H33D C33 H33F 109.5 . . ?
H33E C33 H33F 109.5 . . ?
C4B C7B H7BB 109.5 . . ?
C4B C7B H7BC 109.5 . . ?
C4B C7B H7BD 109.5 . . ?
H7BB C7B H7BC 109.5 . . ?
H7BB C7B H7BD 109.5 . . ?
H7BC C7B H7BD 109.5 . . ?
Si7B C33B H33A 109.5 . . ?
Si7B C33B H33B 109.5 . . ?
Si7B C33B H33C 109.5 . . ?
H33A C33B H33B 109.5 . . ?
H33A C33B H33C 109.5 . . ?
H33B C33B H33C 109.5 . . ?
Si6B C31B H31A 109.5 . . ?
Si6B C31B H31B 109.5 . . ?
Si6B C31B H31C 109.5 . . ?
H31A C31B H31B 109.5 . . ?
H31A C31B H31C 109.5 . . ?
H31B C31B H31C 109.5 . . ?
Si8 C36 H36G 109.5 . . ?
Si8 C36 H36H 109.5 . . ?
Si8 C36 H36I 109.5 . . ?
H36G C36 H36H 109.5 . . ?
H36G C36 H36I 109.5 . . ?
H36H C36 H36I 109.5 . . ?
Si7B C34B H34A 109.5 . . ?
Si7B C34B H34B 109.5 . . ?
Si7B C34B H34C 109.5 . . ?
H34A C34B H34B 109.5 . . ?
H34A C34B H34C 109.5 . . ?
H34B C34B H34C 109.5 . . ?
O8B Si8B H8B 109.1 . . ?
O8B Si8B C35B 108.3(14) . . ?
O8B Si8B C36B 108.8(4) . . ?
C35B Si8B H8B 109.1 . . ?
C36B Si8B H8B 109.1 . . ?
C36B Si8B C35B 112.3(13) . . ?
O8B Si8C H8C 106.6 . . ?
O8B Si8C C35C 109.9(13) . . ?
O8B Si8C C36B 109.2(4) . . ?
C35C Si8C H8C 106.6 . . ?
C36B Si8C H8C 106.6 . . ?
C36B Si8C C35C 117.5(15) . . ?
Si7 C34 H34G 109.5 . . ?
Si7 C34 H34H 109.5 . . ?
Si7 C34 H34I 109.5 . . ?
H34G C34 H34H 109.5 . . ?
H34G C34 H34I 109.5 . . ?
H34H C34 H34I 109.5 . . ?
Si7B C34C H34D 109.5 . . ?
Si7B C34C H34E 109.5 . . ?
Si7B C34C H34F 109.5 . . ?
H34D C34C H34E 109.5 . . ?
H34D C34C H34F 109.5 . . ?
H34E C34C H34F 109.5 . . ?
Si8B C35B H35A 109.5 . . ?
Si8B C35B H35B 109.5 . . ?
Si8B C35B H35C 109.5 . . ?
H35A C35B H35B 109.5 . . ?
H35A C35B H35C 109.5 . . ?
H35B C35B H35C 109.5 . . ?
Si8C C35C H35D 109.5 . . ?
Si8C C35C H35E 109.5 . . ?
Si8C C35C H35F 109.5 . . ?
H35D C35C H35E 109.5 . . ?
H35D C35C H35F 109.5 . . ?
H35E C35C H35F 109.5 . . ?
Si8 C36A H36J 109.5 . . ?
Si8 C36A H36K 109.5 . . ?
Si8 C36A H36L 109.5 . . ?
H36J C36A H36K 109.5 . . ?
H36J C36A H36L 109.5 . . ?
H36K C36A H36L 109.5 . . ?
Si8B C36B H36A 109.5 . . ?
Si8B C36B H36B 109.5 . . ?
Si8B C36B H36C 109.5 . . ?
Si8C C36B H36D 109.5 . . ?
Si8C C36B H36E 109.5 . . ?
Si8C C36B H36F 109.5 . . ?
H36A C36B H36B 109.5 . . ?
H36A C36B H36C 109.5 . . ?
H36B C36B H36C 109.5 . . ?
H36D C36B H36E 109.5 . . ?
H36D C36B H36F 109.5 . . ?
H36E C36B H36F 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
Si2B C8B C13B C12B 179.6(7) . . . . ?
Si2B C8B C9B C10B -179.2(5) . . . . ?
Si4B O8B Si8B C35B -66.0(12) . . . . ?
Si4B O8B Si8B C36B 171.7(6) . . . . ?
Si4B O8B Si8C C35C 40.8(15) . . . . ?
Si4B O8B Si8C C36B 171.1(6) . . . . ?
Si4B C22B C23B C24B 178.6(5) . . . . ?
Si4B C22B C27B C26B -178.5(5) . . . . ?
Si1 C1 C2 C3 -174.5(5) . . . . ?
Si3 C15 C20 C19 -178.6(5) . . . . ?
Si3 C15 C16 C17 179.6(6) . . . . ?
Si4 C22 C23 C24 -178.4(6) . . . . ?
O1 Si1 O4 Si4 14.6(7) . . . . ?
O1 Si1 O5 Si5 -36.3(7) . . . . ?
O1 Si1 C1 C6 122.1(5) . . . . ?
O1 Si1 C1 C2 -61.7(5) . . . . ?
O1 Si2 O6 Si6 -170.2(5) . . . . ?
O1 Si2 O2 Si3 -37.2(7) . . . . ?
O1 Si2 C8 C13 -103.2(5) . . . . ?
O1 Si2 C8 C9 76.1(5) . . . . ?
O4 Si1 O1 Si2 54.6(7) . . . . ?
O4 Si1 O5 Si5 -154.9(6) . . . . ?
O4 Si1 C1 C6 -119.6(5) . . . . ?
O4 Si1 C1 C2 56.5(5) . . . . ?
O4 Si4 O8 Si8 -174.1(6) . . . . ?
O4 Si4 O3 Si3 -20.8(9) . . . . ?
O4 Si4 C22 C27 44.0(6) . . . . ?
O4 Si4 C22 C23 -139.1(5) . . . . ?
O6 Si2 O1 Si1 88.9(7) . . . . ?
O6 Si2 O2 Si3 -155.5(6) . . . . ?
O6 Si2 C8 C13 15.8(6) . . . . ?
O6 Si2 C8 C9 -164.9(4) . . . . ?
O8 Si4 O4 Si1 -159.7(6) . . . . ?
O8 Si4 O3 Si3 95.8(8) . . . . ?
O8 Si4 C22 C27 -74.1(6) . . . . ?
O8 Si4 C22 C23 102.8(6) . . . . ?
O2B Si2B O1B Si1B -40.5(13) . . . . ?
O2B Si2B O6B Si6B 70.5(6) . . . . ?
O2B Si2B C8B C13B 117.4(6) . . . . ?
O2B Si2B C8B C9B -64.5(6) . . . . ?
O2B Si3B O3B Si4B 59.4(6) . . . . ?
O2B Si3B O7B Si7B -175.1(5) . . . . ?
O2B Si3B C15B C20B 150.1(5) . . . . ?
O2B Si3B C15B C16B -29.5(5) . . . . ?
O3B Si4B O8B Si8B -174.4(5) . . . . ?
O3B Si4B O8B Si8C 135.3(6) . . . . ?
O3B Si4B C22B C23B 121.9(5) . . . . ?
O3B Si4B C22B C27B -59.5(5) . . . . ?
O3B Si4B O4B Si1B 0.6(7) . . . . ?
O3B Si3B O2B Si2B 9.4(7) . . . . ?
O3B Si3B O7B Si7B -54.8(6) . . . . ?
O3B Si3B C15B C20B 30.3(5) . . . . ?
O3B Si3B C15B C16B -149.3(5) . . . . ?
O7B Si3B O2B Si2B 128.8(6) . . . . ?
O7B Si3B O3B Si4B -58.9(6) . . . . ?
O7B Si3B C15B C20B -90.2(5) . . . . ?
O7B Si3B C15B C16B 90.3(5) . . . . ?
O1B Si2B O2B Si3B -3.6(7) . . . . ?
O1B Si2B O6B Si6B -47.7(6) . . . . ?
O1B Si2B C8B C13B -123.5(6) . . . . ?
O1B Si2B C8B C9B 54.6(6) . . . . ?
O1B Si1B O5B Si5B 146.1(4) . . . . ?
O1B Si1B O4B Si4B 25.6(7) . . . . ?
O1B Si1B C1B C2B 127.7(5) . . . . ?
O1B Si1B C1B C6B -48.7(5) . . . . ?
O5B Si1B O1B Si2B -97.6(12) . . . . ?
O5B Si1B O4B Si4B 144.7(5) . . . . ?
O5B Si1B C1B C2B 8.8(6) . . . . ?
O5B Si1B C1B C6B -167.6(5) . . . . ?
O7 Si3 O3 Si4 -73.7(8) . . . . ?
O7 Si3 O2 Si2 135.8(6) . . . . ?
O7 Si3 C15 C20 109.0(5) . . . . ?
O7 Si3 C15 C16 -68.4(6) . . . . ?
O3 Si3 O7 Si7 2.2(9) . . . . ?
O3 Si3 O2 Si2 14.9(7) . . . . ?
O3 Si3 C15 C20 -130.3(5) . . . . ?
O3 Si3 C15 C16 52.3(6) . . . . ?
O3 Si4 O4 Si1 -40.5(7) . . . . ?
O3 Si4 O8 Si8 66.5(7) . . . . ?
O3 Si4 C22 C27 164.8(5) . . . . ?
O3 Si4 C22 C23 -18.3(6) . . . . ?
O8B Si4B O3B Si3B 43.2(7) . . . . ?
O8B Si4B C22B C23B -118.3(5) . . . . ?
O8B Si4B C22B C27B 60.4(5) . . . . ?
O8B Si4B O4B Si1B -117.3(6) . . . . ?
O2 Si3 O7 Si7 -118.1(7) . . . . ?
O2 Si3 O3 Si4 45.7(8) . . . . ?
O2 Si3 C15 C20 -10.2(6) . . . . ?
O2 Si3 C15 C16 172.4(5) . . . . ?
O2 Si2 O1 Si1 -30.6(8) . . . . ?
O2 Si2 O6 Si6 -50.7(6) . . . . ?
O2 Si2 C8 C13 137.0(5) . . . . ?
O2 Si2 C8 C9 -43.7(5) . . . . ?
C11B C12B C13B C8B -1.6(14) . . . . ?
C11B C10B C9B C8B 0.9(11) . . . . ?
C15 Si3 O7 Si7 121.4(7) . . . . ?
C15 Si3 O3 Si4 166.2(7) . . . . ?
C15 Si3 O2 Si2 -104.2(7) . . . . ?
C15 C20 C19 C18 0.4(11) . . . . ?
C15 C16 C17 C18 -2.3(11) . . . . ?
O6B Si2B O2B Si3B -123.4(6) . . . . ?
O6B Si2B O1B Si1B 78.6(12) . . . . ?
O6B Si2B C8B C13B -2.4(6) . . . . ?
O6B Si2B C8B C9B 175.7(5) . . . . ?
C6 C1 C2 C3 1.8(9) . . . . ?
O5 Si1 O1 Si2 -63.6(7) . . . . ?
O5 Si1 O4 Si4 134.9(6) . . . . ?
O5 Si1 C1 C6 -0.5(6) . . . . ?
O5 Si1 C1 C2 175.6(5) . . . . ?
C1 Si1 O1 Si2 173.5(7) . . . . ?
C1 Si1 O4 Si4 -103.8(6) . . . . ?
C1 Si1 O5 Si5 85.0(7) . . . . ?
C1 C6 C5 C4 -1.5(10) . . . . ?
C1 C2 C3 C4 -0.8(10) . . . . ?
C26 C27 C22 Si4 178.6(5) . . . . ?
C26 C27 C22 C23 1.5(9) . . . . ?
C26 C25 C24 C23 -0.1(10) . . . . ?
C2B C3B C4B C5B -1.8(11) . . . . ?
C2B C3B C4B C7B 177.6(8) . . . . ?
C22B Si4B O3B Si3B 165.2(6) . . . . ?
C22B Si4B O8B Si8B 64.7(6) . . . . ?
C22B Si4B O8B Si8C 14.5(7) . . . . ?
C22B Si4B O4B Si1B 120.5(6) . . . . ?
C22B C23B C24B C25B -0.1(11) . . . . ?
C22B C27B C26B C25B -0.2(10) . . . . ?
O4B Si4B O3B Si3B -75.3(6) . . . . ?
O4B Si4B O8B Si8B -55.9(6) . . . . ?
O4B Si4B O8B Si8C -106.1(6) . . . . ?
O4B Si4B C22B C23B 2.3(6) . . . . ?
O4B Si4B C22B C27B -179.0(5) . . . . ?
O4B Si1B O1B Si2B 21.2(13) . . . . ?
O4B Si1B O5B Si5B 26.7(6) . . . . ?
O4B Si1B C1B C2B -111.7(5) . . . . ?
O4B Si1B C1B C6B 71.9(5) . . . . ?
C8B Si2B O2B Si3B 117.1(6) . . . . ?
C8B Si2B O1B Si1B -161.3(12) . . . . ?
C8B Si2B O6B Si6B -168.9(5) . . . . ?
C12B C11B C10B C9B -1.1(11) . . . . ?
C13B C8B C9B C10B -1.0(10) . . . . ?
C27 C26 C25 C28 -179.3(6) . . . . ?
C27 C26 C25 C24 0.3(10) . . . . ?
C27 C22 C23 C24 -1.4(10) . . . . ?
C6B C5B C4B C3B 1.1(10) . . . . ?
C6B C5B C4B C7B -178.4(7) . . . . ?
C3B C2B C1B Si1B -176.3(5) . . . . ?
C3B C2B C1B C6B 0.2(9) . . . . ?
C25 C26 C27 C22 -1.0(10) . . . . ?
C30B Si5B O5B Si1B 148.8(5) . . . . ?
C23B C22B C27B C26B 0.2(9) . . . . ?
C23B C24B C25B C26B 0.2(11) . . . . ?
C23B C24B C25B C28B -178.7(7) . . . . ?
C5B C6B C1B Si1B 175.6(5) . . . . ?
C5B C6B C1B C2B -1.0(9) . . . . ?
C1B Si1B O1B Si2B 142.9(12) . . . . ?
C1B Si1B O5B Si5B -95.5(5) . . . . ?
C1B Si1B O4B Si4B -94.0(6) . . . . ?
C1B C2B C3B C4B 1.2(11) . . . . ?
C1B C6B C5B C4B 0.3(9) . . . . ?
C24B C25B C26B C27B 0.0(10) . . . . ?
C20B C19B C18B C17B -1.9(10) . . . . ?
C20B C19B C18B C21B 177.6(6) . . . . ?
C16B C17B C18B C19B -0.1(10) . . . . ?
C16B C17B C18B C21B -179.5(6) . . . . ?
C10B C11B C12B C13B 1.5(13) . . . . ?
C20 C15 C16 C17 2.0(10) . . . . ?
C10 C11 C12 C13 0.6(9) . . . . ?
C10 C9 C8 Si2 -179.4(5) . . . . ?
C10 C9 C8 C13 -0.1(9) . . . . ?
C22 Si4 O4 Si1 78.4(7) . . . . ?
C22 Si4 O8 Si8 -53.0(7) . . . . ?
C22 Si4 O3 Si3 -141.9(7) . . . . ?
C22 C23 C24 C25 0.7(11) . . . . ?
C3 C4 C5 C6 2.6(10) . . . . ?
C7 C4 C3 C2 177.7(6) . . . . ?
C7 C4 C5 C6 -176.5(6) . . . . ?
C19B C20B C15B Si3B -179.7(5) . . . . ?
C19B C20B C15B C16B -0.2(9) . . . . ?
C5 C6 C1 Si1 175.6(5) . . . . ?
C5 C6 C1 C2 -0.7(9) . . . . ?
C5 C4 C3 C2 -1.4(10) . . . . ?
C9B C8B C13B C12B 1.4(11) . . . . ?
C12 C13 C8 Si2 179.3(5) . . . . ?
C12 C13 C8 C9 0.0(9) . . . . ?
C12 C11 C10 C9 -0.7(9) . . . . ?
C35 Si8 O8 Si4 74.0(7) . . . . ?
C27B C22B C23B C24B -0.1(9) . . . . ?
C8 Si2 O1 Si1 -149.6(7) . . . . ?
C8 Si2 O6 Si6 69.9(6) . . . . ?
C8 Si2 O2 Si3 82.2(7) . . . . ?
C8 C13 C12 C11 -0.3(10) . . . . ?
C8 C9 C10 C11 0.4(9) . . . . ?
C15B Si3B O2B Si2B -107.8(6) . . . . ?
C15B Si3B O3B Si4B 178.2(6) . . . . ?
C15B Si3B O7B Si7B 64.0(6) . . . . ?
C15B C20B C19B C18B 2.0(10) . . . . ?
C15B C16B C17B C18B 1.9(10) . . . . ?
C29B Si5B O5B Si1B 26.9(6) . . . . ?
C17B C16B C15B Si3B 177.8(5) . . . . ?
C17B C16B C15B C20B -1.7(9) . . . . ?
C29 Si5 O5 Si1 -19.7(7) . . . . ?
C19 C18 C17 C16 1.5(11) . . . . ?
C21 C18 C19 C20 -177.6(7) . . . . ?
C21 C18 C17 C16 178.5(7) . . . . ?
C16 C15 C20 C19 -1.1(9) . . . . ?
C17 C18 C19 C20 -0.6(11) . . . . ?
C28 C25 C24 C23 179.5(7) . . . . ?
C14B C11B C12B C13B 177.9(8) . . . . ?
C14B C11B C10B C9B -177.5(7) . . . . ?
C14 C11 C10 C9 179.3(6) . . . . ?
C14 C11 C12 C13 -179.4(6) . . . . ?
C28B C25B C26B C27B 178.9(7) . . . . ?
C30 Si5 O5 Si1 102.4(7) . . . . ?
C31 Si6 O6 Si2 177.7(5) . . . . ?
C32 Si6 O6 Si2 55.8(6) . . . . ?
C32B Si6B O6B Si2B 96.8(6) . . . . ?
C33 Si7 O7 Si3 67.9(10) . . . . ?
C33B Si7B O7B Si3B 160.2(6) . . . . ?
C31B Si6B O6B Si2B -26.1(7) . . . . ?
C36 Si8 O8 Si4 -165.9(7) . . . . ?
C34B Si7B O7B Si3B -66.0(9) . . . . ?
C34 Si7 O7 Si3 -166.3(8) . . . . ?
C34C Si7B O7B Si3B 23.9(11) . . . . ?
C36A Si8 O8 Si4 -38(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
