#------------------------------------------------------------------------------
#$Date: 2017-05-05 17:58:49 +0300 (Fri, 05 May 2017) $
#$Revision: 196252 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/61/7056154.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_7056154
loop_
_publ_author_name
'Walczak, M.'
'Januszewski, R.'
'Majchrzak, M.'
'Kubicki, M.'
'Dudziec, B.'
'Marciniec, B.'
_publ_section_title
;
 Unusual cis and trans architecture of dihydrofunctional double-decker
 shaped silsesquioxane and synthesis of its ethyl bridged π-conjugated
 arene derivatives
;
_journal_issue                   9
_journal_name_full               'New J. Chem.'
_journal_page_first              3290
_journal_paper_doi               10.1039/C7NJ00255F
_journal_volume                  41
_journal_year                    2017
_chemical_formula_moiety         'C50 H46 O14 Si10'
_chemical_formula_sum            'C50 H46 O14 Si10'
_chemical_formula_weight         1151.77
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-05-23 deposited with the CCDC.
2017-03-16 downloaded from the CCDC.
;
_cell_angle_alpha                98.402(4)
_cell_angle_beta                 90.407(3)
_cell_angle_gamma                90.950(4)
_cell_formula_units_Z            2
_cell_length_a                   10.5118(5)
_cell_length_b                   13.8528(8)
_cell_length_c                   19.5175(6)
_cell_measurement_reflns_used    6786
_cell_measurement_temperature    130(1)
_cell_measurement_theta_max      27.5090
_cell_measurement_theta_min      3.3090
_cell_volume                     2811.1(2)
_computing_cell_refinement       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_data_collection       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_data_reduction        'CrysAlis Pro (Agilent Technologies (2011))'
_computing_molecular_graphics    'Mercury (MacRae, 2007)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      130(1)
_diffrn_detector_area_resol_mean 16.1544
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_unetI/netI     0.0614
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19356
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.079
_exptl_absorpt_coefficient_mu    0.296
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96335
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_description       block
_exptl_crystal_F_000             1196
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.903
_refine_diff_density_min         -0.525
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     690
_refine_ls_number_reflns         9894
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0725
_refine_ls_R_factor_gt           0.0472
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0700P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1250
_refine_ls_wR_factor_ref         0.1361
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7282
_reflns_number_total             9894
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7nj00255f2.cif
_cod_data_source_block           1
_cod_database_code               7056154
_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.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Si1A Si 0.68906(8) 0.16738(7) -0.04303(4) 0.0303(2) Uani 1 1 d . . . . .
O1A O 0.6845(2) 0.05096(16) -0.06585(10) 0.0354(5) Uani 1 1 d . . . . .
O12A O 0.5462(2) 0.20947(17) -0.03620(11) 0.0414(6) Uani 1 1 d . . . . .
O15A O 0.7635(2) 0.18840(18) 0.02987(11) 0.0481(6) Uani 1 1 d . . . . .
C11A C 0.7728(3) 0.2274(2) -0.10776(14) 0.0303(7) Uani 1 1 d . . . . .
C12A C 0.9031(3) 0.2225(3) -0.11429(19) 0.0519(10) Uani 1 1 d . . . . .
H12A H 0.9503 0.1891 -0.0836 0.062 Uiso 1 1 calc R U . . .
C13A C 0.9676(4) 0.2653(3) -0.1648(2) 0.0633(12) Uani 1 1 d . . . . .
H13A H 1.0575 0.2611 -0.1683 0.076 Uiso 1 1 calc R U . . .
C14A C 0.9006(4) 0.3133(3) -0.20929(18) 0.0586(11) Uani 1 1 d . . . . .
H14A H 0.9437 0.3422 -0.2440 0.070 Uiso 1 1 calc R U . . .
C15A C 0.7723(4) 0.3197(3) -0.20374(17) 0.0505(10) Uani 1 1 d . . . . .
H15A H 0.7260 0.3538 -0.2343 0.061 Uiso 1 1 calc R U . . .
C16A C 0.7088(3) 0.2771(2) -0.15417(15) 0.0378(8) Uani 1 1 d . . . . .
H16A H 0.6189 0.2816 -0.1516 0.045 Uiso 1 1 calc R U . . .
Si2A Si 0.40561(9) 0.18237(7) -0.01120(4) 0.0311(2) Uani 1 1 d . . . . .
O23A O 0.4241(2) 0.11592(16) 0.04899(10) 0.0346(5) Uani 1 1 d . . . . .
C21A C 0.3212(3) 0.2954(3) 0.01869(15) 0.0358(8) Uani 1 1 d . . . . .
C22A C 0.3861(4) 0.3802(3) 0.0448(2) 0.0569(11) Uani 1 1 d . . . . .
H22A H 0.4764 0.3801 0.0470 0.068 Uiso 1 1 calc R U . . .
C23A C 0.3227(5) 0.4660(3) 0.0681(2) 0.0807(15) Uani 1 1 d . . . . .
H23A H 0.3697 0.5234 0.0861 0.097 Uiso 1 1 calc R U . . .
C24A C 0.1932(5) 0.4677(3) 0.0651(2) 0.0706(14) Uani 1 1 d . . . . .
H24A H 0.1502 0.5265 0.0809 0.085 Uiso 1 1 calc R U . . .
C25A C 0.1250(4) 0.3853(4) 0.0397(2) 0.0641(12) Uani 1 1 d . . . . .
H25A H 0.0348 0.3869 0.0375 0.077 Uiso 1 1 calc R U . . .
C26A C 0.1886(3) 0.2983(3) 0.01682(18) 0.0513(10) Uani 1 1 d . . . . .
H26A H 0.1408 0.2408 -0.0001 0.062 Uiso 1 1 calc R U . . .
Si3A Si 0.38973(8) 0.04507(7) 0.10438(4) 0.0278(2) Uani 1 1 d . . . . .
O34A O 0.5208(2) 0.01243(18) 0.13690(10) 0.0408(6) Uani 1 1 d . . . . .
C31A C 0.2918(3) 0.1095(3) 0.17354(15) 0.0373(8) Uani 1 1 d . . . . .
C32A C 0.3147(4) 0.2101(3) 0.19512(18) 0.0590(11) Uani 1 1 d . . . . .
H32A H 0.3772 0.2433 0.1720 0.071 Uiso 1 1 calc R U . . .
C33A C 0.2484(4) 0.2612(4) 0.2490(2) 0.0702(13) Uani 1 1 d . . . . .
H33A H 0.2660 0.3286 0.2635 0.084 Uiso 1 1 calc R U . . .
C34A C 0.1557(4) 0.2127(4) 0.2815(2) 0.0620(13) Uani 1 1 d . . . . .
H34A H 0.1092 0.2477 0.3184 0.074 Uiso 1 1 calc R U . . .
C35A C 0.1293(4) 0.1146(4) 0.26148(17) 0.0562(12) Uani 1 1 d . . . . .
H35A H 0.0647 0.0825 0.2840 0.067 Uiso 1 1 calc R U . . .
C36A C 0.1998(3) 0.0625(3) 0.20704(16) 0.0458(10) Uani 1 1 d . . . . .
H36A H 0.1837 -0.0053 0.1935 0.055 Uiso 1 1 calc R U . . .
Si4A Si 0.66449(8) -0.02642(7) 0.13385(4) 0.0316(2) Uani 1 1 d . . . . .
O4A O 0.6731(2) -0.12016(18) 0.07459(10) 0.0446(6) Uani 1 1 d . . . . .
O45A O 0.7611(2) 0.0562(2) 0.11532(12) 0.0535(7) Uani 1 1 d . . . . .
C41A C 0.7057(3) -0.0603(2) 0.21913(14) 0.0298(7) Uani 1 1 d . . . . .
C42A C 0.6129(3) -0.0827(3) 0.26443(16) 0.0391(8) Uani 1 1 d . . . . .
H42A H 0.5260 -0.0820 0.2508 0.047 Uiso 1 1 calc R U . . .
C43A C 0.6431(3) -0.1062(3) 0.32957(16) 0.0422(9) Uani 1 1 d . . . . .
H43A H 0.5777 -0.1203 0.3601 0.051 Uiso 1 1 calc R U . . .
C44A C 0.7684(3) -0.1087(3) 0.34900(17) 0.0477(10) Uani 1 1 d . . . . .
H44A H 0.7899 -0.1248 0.3933 0.057 Uiso 1 1 calc R U . . .
C45A C 0.8629(3) -0.0882(3) 0.30497(19) 0.0606(12) Uani 1 1 d . . . . .
H45A H 0.9495 -0.0908 0.3186 0.073 Uiso 1 1 calc R U . . .
C46A C 0.8320(3) -0.0637(3) 0.24051(18) 0.0521(11) Uani 1 1 d . . . . .
H46A H 0.8980 -0.0491 0.2105 0.063 Uiso 1 1 calc R U . . .
Si5A Si 0.84818(19) 0.13453(16) 0.08468(9) 0.0548(8) Uani 0.697(4) 1 d . . P A
1
Si5C Si 0.7671(4) 0.1738(2) 0.10990(15) 0.0297(12) Uani 0.303(4) 1 d . . P A 2
C5A C 0.9073(6) 0.2283(5) 0.1494(3) 0.114(2) Uani 1 1 d . . . . .
H5A1 H 0.8392 0.2741 0.1639 0.171 Uiso 1 1 calc R U . A 1
H5A2 H 0.9780 0.2630 0.1308 0.171 Uiso 1 1 calc R U . A 1
H5A3 H 0.9373 0.1994 0.1894 0.171 Uiso 1 1 calc R U . A 1
Si1B Si 0.54862(7) 0.47835(6) 0.33609(4) 0.0233(2) Uani 1 1 d . . . . .
O15B O 0.5666(2) 0.36269(15) 0.33174(10) 0.0325(5) Uani 1 1 d . . . . .
C11B C 0.6028(3) 0.5164(2) 0.25434(15) 0.0271(7) Uani 1 1 d . . . . .
C12B C 0.6335(3) 0.4489(3) 0.19741(15) 0.0374(8) Uani 1 1 d . . . . .
H12B H 0.6211 0.3812 0.1992 0.045 Uiso 1 1 calc R U . . .
C13B C 0.6818(4) 0.4790(3) 0.13809(18) 0.0545(11) Uani 1 1 d . . . . .
H13B H 0.7034 0.4318 0.0997 0.065 Uiso 1 1 calc R U . . .
C14B C 0.6987(4) 0.5767(4) 0.1344(2) 0.0620(12) Uani 1 1 d . . . . .
H14B H 0.7315 0.5971 0.0935 0.074 Uiso 1 1 calc R U . . .
C15B C 0.6683(4) 0.6447(3) 0.1898(2) 0.0652(13) Uani 1 1 d . . . . .
H15B H 0.6799 0.7122 0.1872 0.078 Uiso 1 1 calc R U . . .
C16B C 0.6208(3) 0.6153(3) 0.24935(19) 0.0457(9) Uani 1 1 d . . . . .
H16B H 0.6001 0.6631 0.2875 0.055 Uiso 1 1 calc R U . . .
Si2B Si 0.70328(7) 0.48939(6) 0.58914(4) 0.02201(19) Uani 1 1 d . . . . .
O21B O 0.59939(18) 0.49472(16) 0.65089(9) 0.0295(5) Uani 1 1 d . . . . .
O22B O 0.65618(18) 0.55816(16) 0.53482(10) 0.0306(5) Uani 1 1 d . . . . .
O24B O 0.70777(18) 0.37849(15) 0.55044(11) 0.0325(5) Uani 1 1 d . . . . .
C21B C 0.8612(3) 0.5276(2) 0.62633(14) 0.0229(6) Uani 1 1 d . . . . .
C22B C 0.8903(3) 0.5186(2) 0.69538(15) 0.0300(7) Uani 1 1 d . . . . .
H22B H 0.8282 0.4924 0.7230 0.036 Uiso 1 1 calc R U . . .
C23B C 1.0080(3) 0.5474(2) 0.72360(16) 0.0366(8) Uani 1 1 d . . . . .
H23B H 1.0263 0.5412 0.7705 0.044 Uiso 1 1 calc R U . . .
C24B C 1.0994(3) 0.5850(2) 0.68412(17) 0.0372(8) Uani 1 1 d . . . . .
H24B H 1.1802 0.6050 0.7038 0.045 Uiso 1 1 calc R U . . .
C25B C 1.0733(3) 0.5937(2) 0.61566(16) 0.0323(7) Uani 1 1 d . . . . .
H25B H 1.1361 0.6197 0.5883 0.039 Uiso 1 1 calc R U . . .
C26B C 0.9553(3) 0.5645(2) 0.58727(15) 0.0267(7) Uani 1 1 d . . . . .
H26B H 0.9384 0.5698 0.5401 0.032 Uiso 1 1 calc R U . . .
Si3B Si 0.34995(7) 0.38606(6) 0.53184(4) 0.02129(19) Uani 1 1 d . . . . .
O3B O 0.36714(18) 0.46595(16) 0.60022(10) 0.0325(5) Uani 1 1 d . . . . .
O34B O 0.47151(18) 0.31673(15) 0.52309(11) 0.0347(5) Uani 1 1 d . . . . .
C31B C 0.2059(3) 0.3099(2) 0.53525(14) 0.0226(6) Uani 1 1 d . . . . .
C32B C 0.1160(3) 0.3268(2) 0.58717(15) 0.0301(7) Uani 1 1 d . . . . .
H32B H 0.1292 0.3784 0.6244 0.036 Uiso 1 1 calc R U . . .
C33B C 0.0061(3) 0.2680(3) 0.58484(17) 0.0365(8) Uani 1 1 d . . . . .
H33B H -0.0554 0.2806 0.6203 0.044 Uiso 1 1 calc R U . . .
C34B C -0.0141(3) 0.1921(2) 0.53178(17) 0.0362(8) Uani 1 1 d . . . . .
H34B H -0.0884 0.1520 0.5309 0.043 Uiso 1 1 calc R U . . .
C35B C 0.0746(3) 0.1750(2) 0.48004(16) 0.0335(8) Uani 1 1 d . . . . .
H35B H 0.0613 0.1226 0.4433 0.040 Uiso 1 1 calc R U . . .
C36B C 0.1824(3) 0.2329(2) 0.48109(15) 0.0281(7) Uani 1 1 d . . . . .
H36B H 0.2419 0.2207 0.4446 0.034 Uiso 1 1 calc R U . . .
Si4B Si 0.61961(7) 0.28932(6) 0.51338(4) 0.0241(2) Uani 1 1 d . . . . .
O45B O 0.65212(19) 0.27029(15) 0.43217(10) 0.0328(5) Uani 1 1 d . . . . .
C41B C 0.6513(3) 0.1792(2) 0.55301(14) 0.0251(7) Uani 1 1 d . . . . .
C42B C 0.6857(3) 0.1877(3) 0.62309(15) 0.0319(7) Uani 1 1 d . . . . .
H42B H 0.6923 0.2505 0.6500 0.038 Uiso 1 1 calc R U . . .
C43B C 0.7103(3) 0.1056(3) 0.65391(17) 0.0437(9) Uani 1 1 d . . . . .
H43B H 0.7344 0.1124 0.7014 0.052 Uiso 1 1 calc R U . . .
C44B C 0.6998(3) 0.0144(3) 0.6154(2) 0.0498(10) Uani 1 1 d . . . . .
H44B H 0.7161 -0.0418 0.6365 0.060 Uiso 1 1 calc R U . . .
C45B C 0.6657(3) 0.0040(3) 0.54629(18) 0.0427(9) Uani 1 1 d . . . . .
H45B H 0.6580 -0.0591 0.5198 0.051 Uiso 1 1 calc R U . . .
C46B C 0.6427(3) 0.0867(2) 0.51587(16) 0.0322(8) Uani 1 1 d . . . . .
H46B H 0.6203 0.0793 0.4681 0.039 Uiso 1 1 calc R U . . .
Si5B Si 0.59192(12) 0.25800(7) 0.35446(5) 0.0540(3) Uani 1 1 d . . . . .
C5B C 0.6740(8) 0.1816(5) 0.2974(3) 0.068(3) Uani 0.582(6) 1 d . . P B 1
H5B1 H 0.6247 0.1661 0.2543 0.102 Uiso 0.582(6) 1 calc R U P B 1
H5B2 H 0.6901 0.1214 0.3167 0.102 Uiso 0.582(6) 1 calc R U P B 1
H5B3 H 0.7552 0.2126 0.2879 0.102 Uiso 0.582(6) 1 calc R U P B 1
C5C C 0.4875(8) 0.1678(6) 0.3342(5) 0.052(3) Uani 0.418(6) 1 d . . P B 2
H5C1 H 0.4046 0.1873 0.3538 0.079 Uiso 0.418(6) 1 calc R U P B 2
H5C2 H 0.5162 0.1100 0.3530 0.079 Uiso 0.418(6) 1 calc R U P B 2
H5C3 H 0.4796 0.1525 0.2837 0.079 Uiso 0.418(6) 1 calc R U P B 2
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O15A Si1A O1A 107.17(12) . .
O15A Si1A O12A 110.91(13) . .
O1A Si1A O12A 110.29(12) . .
O15A Si1A C11A 109.93(14) . .
O1A Si1A C11A 110.62(13) . .
O12A Si1A C11A 107.95(13) . .
Si1A O1A Si3A 149.06(14) . 2_655
Si2A O12A Si1A 141.36(16) . .
Si5C O15A Si1A 147.1(2) . .
Si1A O15A Si5A 142.32(18) . .
C12A C11A C16A 116.5(3) . .
C12A C11A Si1A 121.2(2) . .
C16A C11A Si1A 122.3(2) . .
C11A C12A C13A 121.7(3) . .
C11A C12A H12A 119.1 . .
C13A C12A H12A 119.1 . .
C14A C13A C12A 119.5(4) . .
C14A C13A H13A 120.2 . .
C12A C13A H13A 120.2 . .
C15A C14A C13A 119.9(4) . .
C15A C14A H14A 120.0 . .
C13A C14A H14A 120.0 . .
C14A C15A C16A 120.5(3) . .
C14A C15A H15A 119.8 . .
C16A C15A H15A 119.8 . .
C15A C16A C11A 121.8(3) . .
C15A C16A H16A 119.1 . .
C11A C16A H16A 119.1 . .
O23A Si2A O12A 106.84(12) . .
O23A Si2A O4A 108.89(13) . 2_655
O12A Si2A O4A 110.19(12) . 2_655
O23A Si2A C21A 112.54(12) . .
O12A Si2A C21A 109.12(15) . .
O4A Si2A C21A 109.23(13) 2_655 .
Si3A O23A Si2A 159.78(15) . .
C22A C21A C26A 117.4(3) . .
C22A C21A Si2A 121.4(3) . .
C26A C21A Si2A 121.2(3) . .
C21A C22A C23A 121.7(4) . .
C21A C22A H22A 119.1 . .
C23A C22A H22A 119.1 . .
C24A C23A C22A 120.0(5) . .
C24A C23A H23A 120.0 . .
C22A C23A H23A 120.0 . .
C25A C24A C23A 120.3(4) . .
C25A C24A H24A 119.9 . .
C23A C24A H24A 119.9 . .
C24A C25A C26A 119.8(4) . .
C24A C25A H25A 120.1 . .
C26A C25A H25A 120.1 . .
C21A C26A C25A 120.7(4) . .
C21A C26A H26A 119.7 . .
C25A C26A H26A 119.7 . .
O23A Si3A O34A 108.17(13) . .
O23A Si3A O1A 109.41(12) . 2_655
O34A Si3A O1A 108.88(12) . 2_655
O23A Si3A C31A 110.01(14) . .
O34A Si3A C31A 109.66(12) . .
O1A Si3A C31A 110.67(15) 2_655 .
Si4A O34A Si3A 154.88(14) . .
C36A C31A C32A 118.6(3) . .
C36A C31A Si3A 122.4(3) . .
C32A C31A Si3A 119.0(3) . .
C33A C32A C31A 121.5(4) . .
C33A C32A H32A 119.2 . .
C31A C32A H32A 119.2 . .
C34A C33A C32A 118.9(5) . .
C34A C33A H33A 120.6 . .
C32A C33A H33A 120.6 . .
C35A C34A C33A 121.4(4) . .
C35A C34A H34A 119.3 . .
C33A C34A H34A 119.3 . .
C34A C35A C36A 119.1(4) . .
C34A C35A H35A 120.4 . .
C36A C35A H35A 120.4 . .
C31A C36A C35A 120.4(4) . .
C31A C36A H36A 119.8 . .
C35A C36A H36A 119.8 . .
O45A Si4A O34A 110.59(14) . .
O45A Si4A O4A 108.58(14) . .
O34A Si4A O4A 109.09(12) . .
O45A Si4A C41A 110.10(14) . .
O34A Si4A C41A 108.29(13) . .
O4A Si4A C41A 110.19(13) . .
Si4A O4A Si2A 142.72(14) . 2_655
Si5A O45A Si4A 170.85(17) . .
Si4A O45A Si5C 140.8(2) . .
C42A C41A C46A 117.4(3) . .
C42A C41A Si4A 121.6(2) . .
C46A C41A Si4A 121.1(2) . .
C41A C42A C43A 121.9(3) . .
C41A C42A H42A 119.1 . .
C43A C42A H42A 119.1 . .
C44A C43A C42A 119.2(3) . .
C44A C43A H43A 120.4 . .
C42A C43A H43A 120.4 . .
C43A C44A C45A 120.4(3) . .
C43A C44A H44A 119.8 . .
C45A C44A H44A 119.8 . .
C44A C45A C46A 120.1(3) . .
C44A C45A H45A 120.0 . .
C46A C45A H45A 120.0 . .
C45A C46A C41A 121.0(3) . .
C45A C46A H46A 119.5 . .
C41A C46A H46A 119.5 . .
O45A Si5A O15A 109.45(16) . .
O45A Si5A C5A 112.9(2) . .
O15A Si5A C5A 106.8(2) . .
O15A Si5C O45A 109.2(2) . .
O15A Si5C C5A 109.6(3) . .
O45A Si5C C5A 110.7(3) . .
Si5A C5A H5A1 109.5 . .
Si5A C5A H5A2 109.5 . .
H5A1 C5A H5A2 109.5 . .
Si5A C5A H5A3 109.5 . .
H5A1 C5A H5A3 109.5 . .
H5A2 C5A H5A3 109.5 . .
O15B Si1B O3B 109.22(11) . 2_666
O15B Si1B O21B 110.09(12) . 2_666
O3B Si1B O21B 108.84(10) 2_666 2_666
O15B Si1B C11B 108.78(13) . .
O3B Si1B C11B 109.58(13) 2_666 .
O21B Si1B C11B 110.31(11) 2_666 .
Si5B O15B Si1B 160.89(14) . .
C12B C11B C16B 117.9(3) . .
C12B C11B Si1B 121.7(2) . .
C16B C11B Si1B 120.3(3) . .
C13B C12B C11B 120.8(3) . .
C13B C12B H12B 119.6 . .
C11B C12B H12B 119.6 . .
C14B C13B C12B 120.3(4) . .
C14B C13B H13B 119.9 . .
C12B C13B H13B 119.9 . .
C15B C14B C13B 119.9(4) . .
C15B C14B H14B 120.0 . .
C13B C14B H14B 120.0 . .
C14B C15B C16B 120.2(4) . .
C14B C15B H15B 119.9 . .
C16B C15B H15B 119.9 . .
C15B C16B C11B 121.0(4) . .
C15B C16B H16B 119.5 . .
C11B C16B H16B 119.5 . .
O22B Si2B O24B 108.82(11) . .
O22B Si2B O21B 108.04(11) . .
O24B Si2B O21B 108.48(12) . .
O22B Si2B C21B 112.06(12) . .
O24B Si2B C21B 109.89(12) . .
O21B Si2B C21B 109.47(12) . .
Si1B O21B Si2B 139.02(12) 2_666 .
Si2B O22B Si3B 161.50(14) . 2_666
Si4B O24B Si2B 142.97(13) . .
C26B C21B C22B 117.9(3) . .
C26B C21B Si2B 121.7(2) . .
C22B C21B Si2B 120.5(2) . .
C23B C22B C21B 120.7(3) . .
C23B C22B H22B 119.6 . .
C21B C22B H22B 119.6 . .
C22B C23B C24B 120.3(3) . .
C22B C23B H23B 119.8 . .
C24B C23B H23B 119.8 . .
C25B C24B C23B 120.0(3) . .
C25B C24B H24B 120.0 . .
C23B C24B H24B 120.0 . .
C24B C25B C26B 119.7(3) . .
C24B C25B H25B 120.2 . .
C26B C25B H25B 120.2 . .
C25B C26B C21B 121.4(3) . .
C25B C26B H26B 119.3 . .
C21B C26B H26B 119.3 . .
O34B Si3B O22B 107.37(11) . 2_666
O34B Si3B O3B 109.81(11) . .
O22B Si3B O3B 108.72(12) 2_666 .
O34B Si3B C31B 108.85(12) . .
O22B Si3B C31B 109.93(11) 2_666 .
O3B Si3B C31B 112.05(12) . .
Si3B O3B Si1B 151.81(13) . 2_666
Si3B O34B Si4B 156.97(16) . .
C32B C31B C36B 118.0(3) . .
C32B C31B Si3B 123.4(2) . .
C36B C31B Si3B 118.5(2) . .
C31B C32B C33B 120.2(3) . .
C31B C32B H32B 119.9 . .
C33B C32B H32B 119.9 . .
C34B C33B C32B 120.8(3) . .
C34B C33B H33B 119.6 . .
C32B C33B H33B 119.6 . .
C33B C34B C35B 119.3(3) . .
C33B C34B H34B 120.3 . .
C35B C34B H34B 120.3 . .
C36B C35B C34B 120.6(3) . .
C36B C35B H35B 119.7 . .
C34B C35B H35B 119.7 . .
C35B C36B C31B 121.1(3) . .
C35B C36B H36B 119.4 . .
C31B C36B H36B 119.4 . .
O45B Si4B O24B 108.80(12) . .
O45B Si4B O34B 109.44(11) . .
O24B Si4B O34B 109.72(11) . .
O45B Si4B C41B 110.17(12) . .
O24B Si4B C41B 109.35(12) . .
O34B Si4B C41B 109.35(12) . .
Si4B O45B Si5B 144.61(15) . .
C46B C41B C42B 117.6(3) . .
C46B C41B Si4B 122.2(2) . .
C42B C41B Si4B 120.1(2) . .
C43B C42B C41B 121.0(3) . .
C43B C42B H42B 119.5 . .
C41B C42B H42B 119.5 . .
C44B C43B C42B 119.7(3) . .
C44B C43B H43B 120.1 . .
C42B C43B H43B 120.1 . .
C45B C44B C43B 120.4(3) . .
C45B C44B H44B 119.8 . .
C43B C44B H44B 119.8 . .
C44B C45B C46B 119.3(3) . .
C44B C45B H45B 120.3 . .
C46B C45B H45B 120.3 . .
C41B C46B C45B 121.9(3) . .
C41B C46B H46B 119.1 . .
C45B C46B H46B 119.1 . .
O15B Si5B O45B 110.56(12) . .
O15B Si5B C5C 120.0(3) . .
O45B Si5B C5C 116.4(3) . .
O15B Si5B C5B 114.9(3) . .
O45B Si5B C5B 112.8(3) . .
Si5B C5B H5B1 109.5 . .
Si5B C5B H5B2 109.5 . .
H5B1 C5B H5B2 109.5 . .
Si5B C5B H5B3 109.5 . .
H5B1 C5B H5B3 109.5 . .
H5B2 C5B H5B3 109.5 . .
Si5B C5C H5C1 109.5 . .
Si5B C5C H5C2 109.5 . .
H5C1 C5C H5C2 109.5 . .
Si5B C5C H5C3 109.5 . .
H5C1 C5C H5C3 109.5 . .
H5C2 C5C H5C3 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1A O15A 1.605(2) .
Si1A O1A 1.609(2) .
Si1A O12A 1.619(2) .
Si1A C11A 1.833(3) .
O1A Si3A 1.615(2) 2_655
O12A Si2A 1.615(2) .
O15A Si5C 1.604(3) .
O15A Si5A 1.654(3) .
C11A C12A 1.379(4) .
C11A C16A 1.390(4) .
C12A C13A 1.398(5) .
C12A H12A 0.9500 .
C13A C14A 1.366(5) .
C13A H13A 0.9500 .
C14A C15A 1.356(5) .
C14A H14A 0.9500 .
C15A C16A 1.376(5) .
C15A H15A 0.9500 .
C16A H16A 0.9500 .
Si2A O23A 1.607(2) .
Si2A O4A 1.615(2) 2_655
Si2A C21A 1.834(3) .
O23A Si3A 1.602(2) .
C21A C22A 1.378(5) .
C21A C26A 1.396(5) .
C22A C23A 1.391(5) .
C22A H22A 0.9500 .
C23A C24A 1.362(6) .
C23A H23A 0.9500 .
C24A C25A 1.366(6) .
C24A H24A 0.9500 .
C25A C26A 1.405(5) .
C25A H25A 0.9500 .
C26A H26A 0.9500 .
Si3A O34A 1.612(2) .
Si3A O1A 1.615(2) 2_655
Si3A C31A 1.838(3) .
O34A Si4A 1.610(2) .
C31A C36A 1.378(5) .
C31A C32A 1.412(5) .
C32A C33A 1.379(5) .
C32A H32A 0.9500 .
C33A C34A 1.384(6) .
C33A H33A 0.9500 .
C34A C35A 1.381(6) .
C34A H34A 0.9500 .
C35A C36A 1.416(5) .
C35A H35A 0.9500 .
C36A H36A 0.9500 .
Si4A O45A 1.600(3) .
Si4A O4A 1.612(2) .
Si4A C41A 1.845(3) .
O4A Si2A 1.615(2) 2_655
O45A Si5A 1.593(3) .
O45A Si5C 1.649(4) .
C41A C42A 1.382(4) .
C41A C46A 1.393(4) .
C42A C43A 1.394(4) .
C42A H42A 0.9500 .
C43A C44A 1.370(5) .
C43A H43A 0.9500 .
C44A C45A 1.371(5) .
C44A H44A 0.9500 .
C45A C46A 1.388(4) .
C45A H45A 0.9500 .
C46A H46A 0.9500 .
Si5A C5A 1.776(6) .
Si5C C5A 1.764(6) .
C5A H5A1 0.9800 .
C5A H5A2 0.9800 .
C5A H5A3 0.9800 .
Si1B O15B 1.606(2) .
Si1B O3B 1.614(2) 2_666
Si1B O21B 1.6191(19) 2_666
Si1B C11B 1.843(3) .
O15B Si5B 1.603(2) .
C11B C12B 1.387(4) .
C11B C16B 1.397(5) .
C12B C13B 1.384(5) .
C12B H12B 0.9500 .
C13B C14B 1.376(6) .
C13B H13B 0.9500 .
C14B C15B 1.368(6) .
C14B H14B 0.9500 .
C15B C16B 1.381(5) .
C15B H15B 0.9500 .
C16B H16B 0.9500 .
Si2B O22B 1.606(2) .
Si2B O24B 1.611(2) .
Si2B O21B 1.627(2) .
Si2B C21B 1.845(3) .
O21B Si1B 1.6191(19) 2_666
O22B Si3B 1.609(2) 2_666
O24B Si4B 1.612(2) .
C21B C26B 1.389(4) .
C21B C22B 1.403(4) .
C22B C23B 1.380(4) .
C22B H22B 0.9500 .
C23B C24B 1.378(5) .
C23B H23B 0.9500 .
C24B C25B 1.385(4) .
C24B H24B 0.9500 .
C25B C26B 1.385(4) .
C25B H25B 0.9500 .
C26B H26B 0.9500 .
Si3B O34B 1.6064(19) .
Si3B O22B 1.609(2) 2_666
Si3B O3B 1.611(2) .
Si3B C31B 1.838(3) .
O3B Si1B 1.614(2) 2_666
O34B Si4B 1.6145(19) .
C31B C32B 1.388(4) .
C31B C36B 1.405(4) .
C32B C33B 1.400(4) .
C32B H32B 0.9500 .
C33B C34B 1.376(4) .
C33B H33B 0.9500 .
C34B C35B 1.377(4) .
C34B H34B 0.9500 .
C35B C36B 1.376(4) .
C35B H35B 0.9500 .
C36B H36B 0.9500 .
Si4B O45B 1.608(2) .
Si4B C41B 1.843(3) .
O45B Si5B 1.624(2) .
C41B C46B 1.378(4) .
C41B C42B 1.400(4) .
C42B C43B 1.389(5) .
C42B H42B 0.9500 .
C43B C44B 1.375(5) .
C43B H43B 0.9500 .
C44B C45B 1.379(5) .
C44B H44B 0.9500 .
C45B C46B 1.389(4) .
C45B H45B 0.9500 .
C46B H46B 0.9500 .
Si5B C5C 1.652(8) .
Si5B C5B 1.674(6) .
C5B H5B1 0.9800 .
C5B H5B2 0.9800 .
C5B H5B3 0.9800 .
C5C H5C1 0.9800 .
C5C H5C2 0.9800 .
C5C H5C3 0.9800 .
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_4
O15A Si1A O1A Si3A 147.1(3) . 2_655
O12A Si1A O1A Si3A 26.3(3) . 2_655
C11A Si1A O1A Si3A -93.0(3) . 2_655
O15A Si1A O12A Si2A -81.1(3) . .
O1A Si1A O12A Si2A 37.4(3) . .
C11A Si1A O12A Si2A 158.4(2) . .
O1A Si1A O15A Si5C -62.2(4) . .
O12A Si1A O15A Si5C 58.2(4) . .
C11A Si1A O15A Si5C 177.5(4) . .
O1A Si1A O15A Si5A 8.8(3) . .
O12A Si1A O15A Si5A 129.2(3) . .
C11A Si1A O15A Si5A -111.5(3) . .
O15A Si1A C11A C12A 44.9(3) . .
O1A Si1A C11A C12A -73.3(3) . .
O12A Si1A C11A C12A 166.0(3) . .
O15A Si1A C11A C16A -137.4(3) . .
O1A Si1A C11A C16A 104.4(3) . .
O12A Si1A C11A C16A -16.3(3) . .
C16A C11A C12A C13A 0.1(5) . .
Si1A C11A C12A C13A 177.9(3) . .
C11A C12A C13A C14A -0.1(6) . .
C12A C13A C14A C15A 0.5(6) . .
C13A C14A C15A C16A -0.8(6) . .
C14A C15A C16A C11A 0.8(5) . .
C12A C11A C16A C15A -0.5(5) . .
Si1A C11A C16A C15A -178.2(3) . .
Si1A O12A Si2A O23A 29.4(3) . .
Si1A O12A Si2A O4A -88.8(3) . 2_655
Si1A O12A Si2A C21A 151.3(2) . .
O12A Si2A O23A Si3A -169.6(4) . .
O4A Si2A O23A Si3A -50.6(4) 2_655 .
C21A Si2A O23A Si3A 70.6(5) . .
O23A Si2A C21A C22A 91.3(3) . .
O12A Si2A C21A C22A -27.1(3) . .
O4A Si2A C21A C22A -147.6(3) 2_655 .
O23A Si2A C21A C26A -87.6(3) . .
O12A Si2A C21A C26A 153.9(3) . .
O4A Si2A C21A C26A 33.4(3) 2_655 .
C26A C21A C22A C23A -0.5(6) . .
Si2A C21A C22A C23A -179.5(3) . .
C21A C22A C23A C24A -0.3(7) . .
C22A C23A C24A C25A 0.3(7) . .
C23A C24A C25A C26A 0.4(7) . .
C22A C21A C26A C25A 1.1(5) . .
Si2A C21A C26A C25A -179.8(3) . .
C24A C25A C26A C21A -1.1(6) . .
Si2A O23A Si3A O34A 172.8(4) . .
Si2A O23A Si3A O1A 54.4(5) . 2_655
Si2A O23A Si3A C31A -67.4(5) . .
O23A Si3A O34A Si4A -45.9(4) . .
O1A Si3A O34A Si4A 72.9(4) 2_655 .
C31A Si3A O34A Si4A -165.9(4) . .
O23A Si3A C31A C36A 147.5(2) . .
O34A Si3A C31A C36A -93.6(3) . .
O1A Si3A C31A C36A 26.5(3) 2_655 .
O23A Si3A C31A C32A -35.1(3) . .
O34A Si3A C31A C32A 83.8(3) . .
O1A Si3A C31A C32A -156.1(3) 2_655 .
C36A C31A C32A C33A 0.7(6) . .
Si3A C31A C32A C33A -176.9(3) . .
C31A C32A C33A C34A -1.2(6) . .
C32A C33A C34A C35A 0.5(6) . .
C33A C34A C35A C36A 0.7(6) . .
C32A C31A C36A C35A 0.6(5) . .
Si3A C31A C36A C35A 178.1(2) . .
C34A C35A C36A C31A -1.3(5) . .
Si3A O34A Si4A O45A 71.9(4) . .
Si3A O34A Si4A O4A -47.4(5) . .
Si3A O34A Si4A C41A -167.3(4) . .
O45A Si4A O4A Si2A -110.8(3) . 2_655
O34A Si4A O4A Si2A 9.8(3) . 2_655
C41A Si4A O4A Si2A 128.6(3) . 2_655
O34A Si4A O45A Si5C 12.9(3) . .
O4A Si4A O45A Si5C 132.5(3) . .
C41A Si4A O45A Si5C -106.7(3) . .
O45A Si4A C41A C42A 143.1(3) . .
O34A Si4A C41A C42A 22.1(3) . .
O4A Si4A C41A C42A -97.1(3) . .
O45A Si4A C41A C46A -36.4(3) . .
O34A Si4A C41A C46A -157.4(3) . .
O4A Si4A C41A C46A 83.3(3) . .
C46A C41A C42A C43A 1.1(5) . .
Si4A C41A C42A C43A -178.5(3) . .
C41A C42A C43A C44A -1.0(5) . .
C42A C43A C44A C45A 0.1(6) . .
C43A C44A C45A C46A 0.7(7) . .
C44A C45A C46A C41A -0.6(7) . .
C42A C41A C46A C45A -0.3(6) . .
Si4A C41A C46A C45A 179.3(3) . .
Si5C O45A Si5A O15A -58.2(2) . .
Si5C O45A Si5A C5A 60.5(3) . .
Si5C O15A Si5A O45A 61.3(2) . .
Si1A O15A Si5A O45A -64.7(3) . .
Si5C O15A Si5A C5A -61.1(3) . .
Si1A O15A Si5A C5A 172.9(3) . .
Si1A O15A Si5C O45A 56.6(5) . .
Si5A O15A Si5C O45A -57.8(2) . .
Si1A O15A Si5C C5A 178.0(4) . .
Si5A O15A Si5C C5A 63.6(3) . .
Si5A O45A Si5C O15A 61.0(2) . .
Si4A O45A Si5C O15A -104.5(3) . .
Si5A O45A Si5C C5A -59.6(3) . .
Si4A O45A Si5C C5A 134.8(3) . .
O15A Si5C C5A Si5A -63.7(2) . .
O45A Si5C C5A Si5A 56.7(2) . .
O45A Si5A C5A Si5C -61.4(2) . .
O15A Si5A C5A Si5C 58.9(2) . .
O3B Si1B O15B Si5B 29.1(5) 2_666 .
O21B Si1B O15B Si5B -90.4(5) 2_666 .
C11B Si1B O15B Si5B 148.7(5) . .
O15B Si1B C11B C12B 9.0(3) . .
O3B Si1B C11B C12B 128.4(2) 2_666 .
O21B Si1B C11B C12B -111.8(2) 2_666 .
O15B Si1B C11B C16B -167.5(2) . .
O3B Si1B C11B C16B -48.1(3) 2_666 .
O21B Si1B C11B C16B 71.7(3) 2_666 .
C16B C11B C12B C13B 0.8(5) . .
Si1B C11B C12B C13B -175.8(2) . .
C11B C12B C13B C14B -0.8(5) . .
C12B C13B C14B C15B 0.3(6) . .
C13B C14B C15B C16B 0.1(6) . .
C14B C15B C16B C11B -0.1(6) . .
C12B C11B C16B C15B -0.4(5) . .
Si1B C11B C16B C15B 176.3(3) . .
O22B Si2B O21B Si1B 22.0(3) . 2_666
O24B Si2B O21B Si1B -95.8(2) . 2_666
C21B Si2B O21B Si1B 144.3(2) . 2_666
O24B Si2B O22B Si3B -61.1(5) . 2_666
O21B Si2B O22B Si3B -178.7(5) . 2_666
C21B Si2B O22B Si3B 60.6(5) . 2_666
O22B Si2B O24B Si4B -65.2(3) . .
O21B Si2B O24B Si4B 52.2(3) . .
C21B Si2B O24B Si4B 171.8(2) . .
O22B Si2B C21B C26B -36.0(3) . .
O24B Si2B C21B C26B 85.1(3) . .
O21B Si2B C21B C26B -155.8(2) . .
O22B Si2B C21B C22B 145.0(2) . .
O24B Si2B C21B C22B -93.9(2) . .
O21B Si2B C21B C22B 25.2(3) . .
C26B C21B C22B C23B 1.2(4) . .
Si2B C21B C22B C23B -179.8(2) . .
C21B C22B C23B C24B -0.4(5) . .
C22B C23B C24B C25B -0.3(5) . .
C23B C24B C25B C26B 0.0(5) . .
C24B C25B C26B C21B 0.9(5) . .
C22B C21B C26B C25B -1.5(4) . .
Si2B C21B C26B C25B 179.5(2) . .
O34B Si3B O3B Si1B 10.2(4) . 2_666
O22B Si3B O3B Si1B -107.0(3) 2_666 2_666
C31B Si3B O3B Si1B 131.3(3) . 2_666
O22B Si3B O34B Si4B 58.3(4) 2_666 .
O3B Si3B O34B Si4B -59.8(4) . .
C31B Si3B O34B Si4B 177.2(4) . .
O34B Si3B C31B C32B 128.3(2) . .
O22B Si3B C31B C32B -114.4(2) 2_666 .
O3B Si3B C31B C32B 6.6(3) . .
O34B Si3B C31B C36B -54.5(2) . .
O22B Si3B C31B C36B 62.9(2) 2_666 .
O3B Si3B C31B C36B -176.1(2) . .
C36B C31B C32B C33B 0.2(4) . .
Si3B C31B C32B C33B 177.4(2) . .
C31B C32B C33B C34B 0.8(5) . .
C32B C33B C34B C35B -0.8(5) . .
C33B C34B C35B C36B -0.1(5) . .
C34B C35B C36B C31B 1.0(5) . .
C32B C31B C36B C35B -1.0(4) . .
Si3B C31B C36B C35B -178.4(2) . .
Si2B O24B Si4B O45B 113.0(2) . .
Si2B O24B Si4B O34B -6.7(3) . .
Si2B O24B Si4B C41B -126.6(2) . .
Si3B O34B Si4B O45B -87.9(4) . .
Si3B O34B Si4B O24B 31.4(4) . .
Si3B O34B Si4B C41B 151.3(4) . .
O24B Si4B O45B Si5B -128.1(2) . .
O34B Si4B O45B Si5B -8.2(3) . .
C41B Si4B O45B Si5B 112.0(3) . .
O45B Si4B C41B C46B -28.6(3) . .
O24B Si4B C41B C46B -148.1(2) . .
O34B Si4B C41B C46B 91.7(3) . .
O45B Si4B C41B C42B 151.3(2) . .
O24B Si4B C41B C42B 31.8(3) . .
O34B Si4B C41B C42B -88.3(2) . .
C46B C41B C42B C43B 0.1(4) . .
Si4B C41B C42B C43B -179.8(2) . .
C41B C42B C43B C44B -0.6(5) . .
C42B C43B C44B C45B 0.4(5) . .
C43B C44B C45B C46B 0.3(5) . .
C42B C41B C46B C45B 0.6(5) . .
Si4B C41B C46B C45B -179.4(2) . .
C44B C45B C46B C41B -0.9(5) . .
Si1B O15B Si5B O45B -14.1(5) . .
Si1B O15B Si5B C5C 125.8(6) . .
Si1B O15B Si5B C5B -143.2(5) . .
Si4B O45B Si5B O15B 81.7(3) . .
Si4B O45B Si5B C5C -59.7(5) . .
Si4B O45B Si5B C5B -148.1(4) . .
