#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:38:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180271 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/57/7115798.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_7115798
loop_
_publ_author_name
'Yuanjing Cai'
'Kerim Samedov'
'Haley Albright'
'Brian S. Dolinar'
'Ilia A. Guzei'
'Rongrong Hu'
'Chaocan Zhang'
'Ben Zhong Tang'
'Robert West'
_publ_section_title
;
 High solid-state fluorescence in ring-shaped AEE-active tetraphenylsilole
 derivatives
;
_journal_name_full               Chem.Commun.
_journal_page_first              12714
_journal_paper_doi               10.1039/C4cc06203E
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C80 H60 O4 Si4'
_chemical_formula_sum            'C80 H60 O4 Si4'
_chemical_formula_weight         1197.64
_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
_atom_sites_solution_primary     direct
_cell_angle_alpha                115.699(4)
_cell_angle_beta                 103.433(5)
_cell_angle_gamma                101.434(5)
_cell_formula_units_Z            1
_cell_length_a                   11.226(3)
_cell_length_b                   12.704(3)
_cell_length_c                   13.186(3)
_cell_measurement_reflns_used    2423
_cell_measurement_temperature    100(2)
_cell_volume                     1549.3(7)
_computing_cell_refinement       'SAINT+ Ver. 7.68A (Bruker-AXS, 2009)'
_computing_data_collection       'APEX2 Ver. 2012.14-3 (Bruker-AXS, 2012)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 2008-2012)'
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_unetI/netI     0.0541
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22893
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.585
_diffrn_reflns_theta_min         1.837
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    0.150
_exptl_absorpt_correction_T_max  0.9936
_exptl_absorpt_correction_T_min  0.8800
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0629 before and 0.0492 after correction.
The Ratio of minimum to maximum transmission is 0.8857.
The λ/2 correction factor is Not present.
;
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.151
_exptl_crystal_size_mid          0.059
_exptl_crystal_size_min          0.048
_refine_diff_density_max         0.374
_refine_diff_density_min         -0.339
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6424
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0421P)²+0.7211P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.1046
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4769
_reflns_number_total             6424
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4cc06203e2.cif
_cod_data_source_block           4
_cod_database_code               7115798
#BEGIN Tags that were not found in dictionaries:
_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.
;
_shelx_estimated_absorpt_t_max   0.993
_shelx_estimated_absorpt_t_min   0.978
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32),
 C33(H33), C34(H34), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40)
;
#END Tags that were not found in dictionaries
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
Si1 Si 0.46742(5) 0.67087(5) 0.50771(5) 0.01439(13) Uani 1 1 d .
Si2 Si 0.33104(5) 0.45468(5) 0.55167(5) 0.01499(13) Uani 1 1 d .
O1 O 0.40733(13) 0.56853(12) 0.54040(12) 0.0172(3) Uani 1 1 d .
O2 O 0.40998(13) 0.35601(12) 0.53045(12) 0.0162(3) Uani 1 1 d .
C1 C 0.33762(18) 0.67828(18) 0.39726(17) 0.0155(4) Uani 1 1 d .
C2 C 0.31672(18) 0.78498(18) 0.46040(18) 0.0161(4) Uani 1 1 d .
C3 C 0.40873(19) 0.87069(18) 0.59092(18) 0.0159(4) Uani 1 1 d .
C4 C 0.50235(18) 0.83043(18) 0.63187(17) 0.0151(4) Uani 1 1 d .
C5 C 0.26221(19) 0.57650(19) 0.27190(18) 0.0181(4) Uani 1 1 d .
C6 C 0.3266(2) 0.5024(2) 0.20962(19) 0.0221(5) Uani 1 1 d .
H6 H 0.4171 0.5214 0.2475 0.027 Uiso 1 1 calc R
C7 C 0.2609(2) 0.4019(2) 0.0937(2) 0.0282(5) Uani 1 1 d .
H7 H 0.3065 0.3529 0.0529 0.034 Uiso 1 1 calc R
C8 C 0.1299(2) 0.3730(2) 0.0376(2) 0.0281(5) Uani 1 1 d .
H8 H 0.0847 0.3043 -0.0419 0.034 Uiso 1 1 calc R
C9 C 0.0646(2) 0.4447(2) 0.0978(2) 0.0272(5) Uani 1 1 d .
H9 H -0.0261 0.4242 0.0595 0.033 Uiso 1 1 calc R
C10 C 0.1295(2) 0.5460(2) 0.21320(19) 0.0226(5) Uani 1 1 d .
H10 H 0.0832 0.5950 0.2527 0.027 Uiso 1 1 calc R
C11 C 0.21039(19) 0.82446(18) 0.41338(17) 0.0168(4) Uani 1 1 d .
C12 C 0.10728(19) 0.82480(19) 0.45449(19) 0.0203(5) Uani 1 1 d .
H12 H 0.1055 0.8010 0.5134 0.024 Uiso 1 1 calc R
C13 C 0.0070(2) 0.8595(2) 0.4103(2) 0.0249(5) Uani 1 1 d .
H13 H -0.0639 0.8586 0.4381 0.030 Uiso 1 1 calc R
C14 C 0.0101(2) 0.8955(2) 0.3258(2) 0.0282(5) Uani 1 1 d .
H14 H -0.0586 0.9194 0.2954 0.034 Uiso 1 1 calc R
C15 C 0.1129(2) 0.8968(2) 0.2855(2) 0.0278(5) Uani 1 1 d .
H15 H 0.1153 0.9224 0.2280 0.033 Uiso 1 1 calc R
C16 C 0.2128(2) 0.8607(2) 0.32872(19) 0.0229(5) Uani 1 1 d .
H16 H 0.2830 0.8609 0.3001 0.027 Uiso 1 1 calc R
C17 C 0.38818(18) 0.98919(18) 0.66216(18) 0.0160(4) Uani 1 1 d .
C18 C 0.40841(19) 1.08356(19) 0.63466(19) 0.0200(4) Uani 1 1 d .
H18 H 0.4328 1.0716 0.5672 0.024 Uiso 1 1 calc R
C19 C 0.3934(2) 1.1950(2) 0.7048(2) 0.0240(5) Uani 1 1 d .
H19 H 0.4095 1.2598 0.6865 0.029 Uiso 1 1 calc R
C20 C 0.3549(2) 1.2118(2) 0.8015(2) 0.0261(5) Uani 1 1 d .
H20 H 0.3440 1.2880 0.8493 0.031 Uiso 1 1 calc R
C21 C 0.3323(2) 1.1178(2) 0.82832(19) 0.0239(5) Uani 1 1 d .
H21 H 0.3048 1.1289 0.8940 0.029 Uiso 1 1 calc R
C22 C 0.34970(19) 1.00757(19) 0.75984(18) 0.0195(4) Uani 1 1 d .
H22 H 0.3353 0.9437 0.7796 0.023 Uiso 1 1 calc R
C23 C 0.61067(19) 0.89473(18) 0.74955(17) 0.0165(4) Uani 1 1 d .
C24 C 0.6535(2) 1.02201(19) 0.83335(18) 0.0209(5) Uani 1 1 d .
H24 H 0.6080 1.0722 0.8180 0.025 Uiso 1 1 calc R
C25 C 0.7610(2) 1.0756(2) 0.93794(19) 0.0251(5) Uani 1 1 d .
H25 H 0.7886 1.1622 0.9933 0.030 Uiso 1 1 calc R
C26 C 0.8292(2) 1.0048(2) 0.96314(19) 0.0260(5) Uani 1 1 d .
H26 H 0.9030 1.0423 1.0353 0.031 Uiso 1 1 calc R
C27 C 0.7887(2) 0.8792(2) 0.88214(19) 0.0243(5) Uani 1 1 d .
H27 H 0.8345 0.8295 0.8983 0.029 Uiso 1 1 calc R
C28 C 0.6813(2) 0.8256(2) 0.77744(18) 0.0201(4) Uani 1 1 d .
H28 H 0.6546 0.7390 0.7226 0.024 Uiso 1 1 calc R
C29 C 0.16547(19) 0.37120(19) 0.43637(17) 0.0170(4) Uani 1 1 d .
C30 C 0.1081(2) 0.2420(2) 0.37822(18) 0.0212(5) Uani 1 1 d .
H30 H 0.1565 0.1949 0.3961 0.025 Uiso 1 1 calc R
C31 C -0.0177(2) 0.1820(2) 0.29522(19) 0.0249(5) Uani 1 1 d .
H31 H -0.0552 0.0941 0.2564 0.030 Uiso 1 1 calc R
C32 C -0.0893(2) 0.2495(2) 0.26862(19) 0.0247(5) Uani 1 1 d .
H32 H -0.1761 0.2080 0.2120 0.030 Uiso 1 1 calc R
C33 C -0.0354(2) 0.3768(2) 0.3237(2) 0.0261(5) Uani 1 1 d .
H33 H -0.0843 0.4231 0.3047 0.031 Uiso 1 1 calc R
C34 C 0.0911(2) 0.4366(2) 0.40728(19) 0.0220(5) Uani 1 1 d .
H34 H 0.1278 0.5245 0.4456 0.026 Uiso 1 1 calc R
C35 C 0.32633(19) 0.51898(19) 0.70611(18) 0.0180(4) Uani 1 1 d .
C36 C 0.2533(2) 0.4423(2) 0.7357(2) 0.0248(5) Uani 1 1 d .
H36 H 0.2074 0.3573 0.6763 0.030 Uiso 1 1 calc R
C37 C 0.2455(3) 0.4864(2) 0.8490(2) 0.0347(6) Uani 1 1 d .
H37 H 0.1952 0.4322 0.8672 0.042 Uiso 1 1 calc R
C38 C 0.3116(2) 0.6102(3) 0.9359(2) 0.0379(6) Uani 1 1 d .
H38 H 0.3080 0.6411 1.0145 0.045 Uiso 1 1 calc R
C39 C 0.3824(2) 0.6883(2) 0.9081(2) 0.0360(6) Uani 1 1 d .
H39 H 0.4265 0.7736 0.9672 0.043 Uiso 1 1 calc R
C40 C 0.3898(2) 0.6433(2) 0.7944(2) 0.0271(5) Uani 1 1 d .
H40 H 0.4390 0.6984 0.7764 0.033 Uiso 1 1 calc R
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
O1 Si1 O2 108.49(7) . 2_666
O1 Si1 C1 110.56(8) . .
O1 Si1 C4 110.71(8) . .
O2 Si1 C1 116.26(8) 2_666 .
O2 Si1 C4 115.51(8) 2_666 .
C1 Si1 C4 94.77(9) . .
O1 Si2 O2 109.27(7) . .
O1 Si2 C29 110.95(8) . .
O1 Si2 C35 107.94(9) . .
O2 Si2 C29 107.95(9) . .
O2 Si2 C35 109.48(8) . .
C29 Si2 C35 111.24(9) . .
Si2 O1 Si1 171.01(10) . .
Si1 O2 Si2 141.20(9) 2_666 .
C2 C1 Si1 105.69(14) . .
C2 C1 C5 128.82(18) . .
C5 C1 Si1 124.86(14) . .
C1 C2 C3 116.86(17) . .
C1 C2 C11 125.45(18) . .
C11 C2 C3 117.68(17) . .
C4 C3 C2 116.18(18) . .
C4 C3 C17 125.94(18) . .
C17 C3 C2 117.87(16) . .
C3 C4 Si1 105.71(15) . .
C3 C4 C23 129.33(19) . .
C23 C4 Si1 124.97(14) . .
C6 C5 C1 118.00(18) . .
C10 C5 C1 124.23(19) . .
C10 C5 C6 117.70(19) . .
C5 C6 H6 119.4 . .
C7 C6 C5 121.3(2) . .
C7 C6 H6 119.4 . .
C6 C7 H7 120.0 . .
C8 C7 C6 120.1(2) . .
C8 C7 H7 120.0 . .
C7 C8 H8 120.3 . .
C7 C8 C9 119.5(2) . .
C9 C8 H8 120.3 . .
C8 C9 H9 119.5 . .
C8 C9 C10 120.9(2) . .
C10 C9 H9 119.5 . .
C5 C10 H10 119.7 . .
C9 C10 C5 120.5(2) . .
C9 C10 H10 119.7 . .
C12 C11 C2 119.88(18) . .
C16 C11 C2 120.84(18) . .
C16 C11 C12 119.28(18) . .
C11 C12 H12 119.8 . .
C13 C12 C11 120.46(19) . .
C13 C12 H12 119.8 . .
C12 C13 H13 120.1 . .
C14 C13 C12 119.9(2) . .
C14 C13 H13 120.1 . .
C13 C14 H14 120.0 . .
C15 C14 C13 120.0(2) . .
C15 C14 H14 120.0 . .
C14 C15 H15 119.9 . .
C14 C15 C16 120.2(2) . .
C16 C15 H15 119.9 . .
C11 C16 C15 120.2(2) . .
C11 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C18 C17 C3 121.46(18) . .
C18 C17 C22 118.77(19) . .
C22 C17 C3 119.76(18) . .
C17 C18 H18 119.7 . .
C19 C18 C17 120.58(19) . .
C19 C18 H18 119.7 . .
C18 C19 H19 120.0 . .
C20 C19 C18 120.0(2) . .
C20 C19 H19 120.0 . .
C19 C20 H20 120.1 . .
C21 C20 C19 119.9(2) . .
C21 C20 H20 120.1 . .
C20 C21 H21 119.9 . .
C22 C21 C20 120.1(2) . .
C22 C21 H21 119.9 . .
C17 C22 H22 119.7 . .
C21 C22 C17 120.62(19) . .
C21 C22 H22 119.7 . .
C24 C23 C4 125.02(18) . .
C28 C23 C4 118.05(18) . .
C28 C23 C24 116.82(19) . .
C23 C24 H24 119.5 . .
C25 C24 C23 121.0(2) . .
C25 C24 H24 119.5 . .
C24 C25 H25 119.6 . .
C24 C25 C26 120.9(2) . .
C26 C25 H25 119.6 . .
C25 C26 H26 120.4 . .
C27 C26 C25 119.2(2) . .
C27 C26 H26 120.4 . .
C26 C27 H27 120.0 . .
C26 C27 C28 119.9(2) . .
C28 C27 H27 120.0 . .
C23 C28 H28 118.9 . .
C27 C28 C23 122.2(2) . .
C27 C28 H28 118.9 . .
C30 C29 Si2 122.10(15) . .
C34 C29 Si2 120.32(16) . .
C34 C29 C30 117.54(19) . .
C29 C30 H30 119.5 . .
C31 C30 C29 121.1(2) . .
C31 C30 H30 119.5 . .
C30 C31 H31 120.0 . .
C30 C31 C32 120.0(2) . .
C32 C31 H31 120.0 . .
C31 C32 H32 119.8 . .
C33 C32 C31 120.4(2) . .
C33 C32 H32 119.8 . .
C32 C33 H33 120.3 . .
C32 C33 C34 119.3(2) . .
C34 C33 H33 120.3 . .
C29 C34 H34 119.2 . .
C33 C34 C29 121.7(2) . .
C33 C34 H34 119.2 . .
C36 C35 Si2 119.71(16) . .
C40 C35 Si2 122.77(16) . .
C40 C35 C36 117.5(2) . .
C35 C36 H36 119.1 . .
C37 C36 C35 121.8(2) . .
C37 C36 H36 119.1 . .
C36 C37 H37 120.3 . .
C36 C37 C38 119.5(2) . .
C38 C37 H37 120.3 . .
C37 C38 H38 120.1 . .
C39 C38 C37 119.8(2) . .
C39 C38 H38 120.1 . .
C38 C39 H39 119.8 . .
C38 C39 C40 120.3(2) . .
C40 C39 H39 119.8 . .
C35 C40 H40 119.4 . .
C39 C40 C35 121.1(2) . .
C39 C40 H40 119.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 O1 1.6140(14) .
Si1 O2 1.6196(14) 2_666
Si1 C1 1.855(2) .
Si1 C4 1.858(2) .
Si2 O1 1.6130(14) .
Si2 O2 1.6390(14) .
Si2 C29 1.843(2) .
Si2 C35 1.855(2) .
O2 Si1 1.6196(14) 2_666
C1 C2 1.350(3) .
C1 C5 1.478(3) .
C2 C3 1.522(3) .
C2 C11 1.491(3) .
C3 C4 1.359(3) .
C3 C17 1.488(3) .
C4 C23 1.478(3) .
C5 C6 1.399(3) .
C5 C10 1.394(3) .
C6 H6 0.9500 .
C6 C7 1.386(3) .
C7 H7 0.9500 .
C7 C8 1.375(3) .
C8 H8 0.9500 .
C8 C9 1.380(3) .
C9 H9 0.9500 .
C9 C10 1.385(3) .
C10 H10 0.9500 .
C11 C12 1.388(3) .
C11 C16 1.383(3) .
C12 H12 0.9500 .
C12 C13 1.384(3) .
C13 H13 0.9500 .
C13 C14 1.380(3) .
C14 H14 0.9500 .
C14 C15 1.378(3) .
C15 H15 0.9500 .
C15 C16 1.388(3) .
C16 H16 0.9500 .
C17 C18 1.388(3) .
C17 C22 1.392(3) .
C18 H18 0.9500 .
C18 C19 1.386(3) .
C19 H19 0.9500 .
C19 C20 1.383(3) .
C20 H20 0.9500 .
C20 C21 1.381(3) .
C21 H21 0.9500 .
C21 C22 1.381(3) .
C22 H22 0.9500 .
C23 C24 1.401(3) .
C23 C28 1.399(3) .
C24 H24 0.9500 .
C24 C25 1.381(3) .
C25 H25 0.9500 .
C25 C26 1.386(3) .
C26 H26 0.9500 .
C26 C27 1.379(3) .
C27 H27 0.9500 .
C27 C28 1.381(3) .
C28 H28 0.9500 .
C29 C30 1.398(3) .
C29 C34 1.393(3) .
C30 H30 0.9500 .
C30 C31 1.381(3) .
C31 H31 0.9500 .
C31 C32 1.381(3) .
C32 H32 0.9500 .
C32 C33 1.377(3) .
C33 H33 0.9500 .
C33 C34 1.388(3) .
C34 H34 0.9500 .
C35 C36 1.391(3) .
C35 C40 1.390(3) .
C36 H36 0.9500 .
C36 C37 1.382(3) .
C37 H37 0.9500 .
C37 C38 1.384(4) .
C38 H38 0.9500 .
C38 C39 1.374(4) .
C39 H39 0.9500 .
C39 C40 1.383(3) .
C40 H40 0.9500 .
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
Si1 C1 C2 C3 6.5(2) . .
Si1 C1 C2 C11 -172.58(16) . .
Si1 C1 C5 C6 -36.0(2) . .
Si1 C1 C5 C10 141.15(18) . .
Si1 C4 C23 C24 166.42(16) . .
Si1 C4 C23 C28 -9.7(3) . .
Si2 C29 C30 C31 177.70(16) . .
Si2 C29 C34 C33 -177.89(16) . .
Si2 C35 C36 C37 -179.18(17) . .
Si2 C35 C40 C39 179.02(17) . .
O1 Si1 C1 C2 106.18(14) . .
O1 Si1 C1 C5 -65.40(18) . .
O1 Si1 C4 C3 -106.49(14) . .
O1 Si1 C4 C23 72.95(17) . .
O1 Si2 O2 Si1 -6.25(17) . 2_666
O1 Si2 C29 C30 142.38(16) . .
O1 Si2 C29 C34 -39.88(18) . .
O1 Si2 C35 C36 172.81(15) . .
O1 Si2 C35 C40 -4.90(19) . .
O2 Si1 C1 C2 -129.58(13) 2_666 .
O2 Si1 C1 C5 58.83(18) 2_666 .
O2 Si1 C4 C3 129.73(13) 2_666 .
O2 Si1 C4 C23 -50.83(18) 2_666 .
O2 Si2 C29 C30 22.68(19) . .
O2 Si2 C29 C34 -159.58(15) . .
O2 Si2 C35 C36 -68.34(18) . .
O2 Si2 C35 C40 113.95(17) . .
C1 Si1 C4 C3 7.60(14) . .
C1 Si1 C4 C23 -172.96(16) . .
C1 C2 C3 C4 -0.9(3) . .
C1 C2 C3 C17 179.65(17) . .
C1 C2 C11 C12 109.0(2) . .
C1 C2 C11 C16 -70.8(3) . .
C1 C5 C6 C7 177.14(19) . .
C1 C5 C10 C9 -176.38(19) . .
C2 C1 C5 C6 154.5(2) . .
C2 C1 C5 C10 -28.4(3) . .
C2 C3 C4 Si1 -5.3(2) . .
C2 C3 C4 C23 175.28(18) . .
C2 C3 C17 C18 -67.0(2) . .
C2 C3 C17 C22 113.9(2) . .
C2 C11 C12 C13 -179.07(19) . .
C2 C11 C16 C15 179.8(2) . .
C3 C2 C11 C12 -70.1(2) . .
C3 C2 C11 C16 110.1(2) . .
C3 C4 C23 C24 -14.3(3) . .
C3 C4 C23 C28 169.59(19) . .
C3 C17 C18 C19 -177.62(19) . .
C3 C17 C22 C21 178.88(19) . .
C4 Si1 C1 C2 -8.05(15) . .
C4 Si1 C1 C5 -179.63(16) . .
C4 C3 C17 C18 113.5(2) . .
C4 C3 C17 C22 -65.5(3) . .
C4 C23 C24 C25 -175.86(19) . .
C4 C23 C28 C27 176.28(18) . .
C5 C1 C2 C3 177.66(18) . .
C5 C1 C2 C11 -1.4(3) . .
C5 C6 C7 C8 -0.1(3) . .
C6 C5 C10 C9 0.7(3) . .
C6 C7 C8 C9 -0.1(3) . .
C7 C8 C9 C10 0.7(3) . .
C8 C9 C10 C5 -1.0(3) . .
C10 C5 C6 C7 -0.2(3) . .
C11 C2 C3 C4 178.30(17) . .
C11 C2 C3 C17 -1.2(3) . .
C11 C12 C13 C14 -0.8(3) . .
C12 C11 C16 C15 -0.1(3) . .
C12 C13 C14 C15 0.0(3) . .
C13 C14 C15 C16 0.7(3) . .
C14 C15 C16 C11 -0.7(3) . .
C16 C11 C12 C13 0.8(3) . .
C17 C3 C4 Si1 174.13(16) . .
C17 C3 C4 C23 -5.3(3) . .
C17 C18 C19 C20 -1.5(3) . .
C18 C17 C22 C21 -0.2(3) . .
C18 C19 C20 C21 0.4(3) . .
C19 C20 C21 C22 0.8(3) . .
C20 C21 C22 C17 -1.0(3) . .
C22 C17 C18 C19 1.4(3) . .
C23 C24 C25 C26 -0.3(3) . .
C24 C23 C28 C27 -0.2(3) . .
C24 C25 C26 C27 0.1(3) . .
C25 C26 C27 C28 0.0(3) . .
C26 C27 C28 C23 0.0(3) . .
C28 C23 C24 C25 0.3(3) . .
C29 Si2 O2 Si1 114.50(15) . 2_666
C29 Si2 C35 C36 50.88(19) . .
C29 Si2 C35 C40 -126.83(17) . .
C29 C30 C31 C32 -0.2(3) . .
C30 C29 C34 C33 -0.1(3) . .
C30 C31 C32 C33 0.6(3) . .
C31 C32 C33 C34 -0.7(3) . .
C32 C33 C34 C29 0.5(3) . .
C34 C29 C30 C31 -0.1(3) . .
C35 Si2 O2 Si1 -124.27(14) . 2_666
C35 Si2 C29 C30 -97.45(18) . .
C35 Si2 C29 C34 80.28(18) . .
C35 C36 C37 C38 0.2(3) . .
C36 C35 C40 C39 1.3(3) . .
C36 C37 C38 C39 1.0(4) . .
C37 C38 C39 C40 -1.1(4) . .
C38 C39 C40 C35 -0.1(4) . .
C40 C35 C36 C37 -1.3(3) . .
