#------------------------------------------------------------------------------
#$Date: 2019-11-26 17:47:58 +0200 (Tue, 26 Nov 2019) $
#$Revision: 243722 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/96/4089693.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_4089693
loop_
_publ_author_name
'Cai, Yuanjing'
'Samedov, Kerim'
'Dolinar, Brian S.'
'Song, Zhegang'
'Tang, Ben Zhong'
'Zhang, Chaocan'
'West, Robert'
_publ_section_title
;
 Synthesis and High Solid-State Fluorescence of Cyclic Silole Derivatives
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              78
_journal_paper_doi               10.1021/om500884b
_journal_volume                  34
_journal_year                    2014
_chemical_formula_moiety         'C96 H68 O6 Si4, 0.41(H2 O)'
_chemical_formula_sum            'C96 H68.83 O6.41 Si4'
_chemical_formula_weight         1437.26
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_cell_angle_alpha                109.8140(9)
_cell_angle_beta                 107.0677(9)
_cell_angle_gamma                90.9332(10)
_cell_formula_units_Z            1
_cell_length_a                   10.7401(2)
_cell_length_b                   12.3839(2)
_cell_length_c                   15.3414(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1819.86(5)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            31204
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.152
_diffrn_reflns_theta_min         3.229
_exptl_absorpt_coefficient_mu    1.237
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             752
_exptl_crystal_preparation       '0.094 x 0.0095 x 0.0062'
_exptl_crystal_size_max          0.094
_exptl_crystal_size_mid          0.0095
_exptl_crystal_size_min          0.0062
_refine_diff_density_max         0.927
_refine_diff_density_min         -0.321
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     490
_refine_ls_number_reflns         6867
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0465
_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)+(0.0892P)²+0.1923P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1312
_refine_ls_wR_factor_ref         0.1385
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5423
_reflns_number_total             6867
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om500884b_si_002.cif
_cod_data_source_block           S1
_cod_database_code               4089693
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H4A of O4
 At 1.201 times of:
  H4B of O4
2. Others
 Sof(O4)=Sof(H4A)=Sof(H4B)=FVAR(1)
3.a Free rotating group:
 O4(H4A,H4B)
3.b Aromatic/amide H refined with riding coordinates:
 C32(H32), C8(H8), C33(H33), C24(H24), C20(H20), C2(H2), C5(H5), C10(H10),
 C23(H23), C14(H14), C28(H28), C35(H35), C15(H15), C47(H47), C21(H21), C30(H30),
  C22(H22), C27(H27), C39(H39), C42(H42), C41(H41), C3(H3A), C4(H4), C40(H40),
 C16(H16), C18(H18), C29(H29), C17(H17), C45(H45), C48(H48), C46(H46), C38(H38),
  C44(H44)
;
_olex2_submission_special_instructions 'No special instructions were received'
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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si2 Si 0.18024(5) 0.60242(5) 0.01637(4) 0.01478(15) Uani 1 1 d . . . .
Si1 Si 0.07147(5) 0.52260(5) 0.16058(4) 0.01512(15) Uani 1 1 d . . . .
O1 O 0.13604(14) 0.57842(12) 0.10055(10) 0.0188(3) Uani 1 1 d . . . .
O2 O 0.05791(14) 0.56528(12) -0.08421(10) 0.0191(3) Uani 1 1 d . . . .
O3 O 0.29924(16) 0.52788(14) -0.00161(12) 0.0231(3) Uani 1 1 d . . . .
C12 C 0.0349(2) 0.62425(18) 0.26857(14) 0.0171(4) Uani 1 1 d . . . .
C7 C 0.1025(2) 0.59592(18) 0.35094(15) 0.0184(4) Uani 1 1 d . . . .
C32 C 0.3361(2) 0.83996(18) 0.32129(15) 0.0206(4) Uani 1 1 d . . . .
H32 H 0.2838 0.9013 0.3313 0.025 Uiso 1 1 calc R . . .
C25 C 0.2265(2) 0.76136(17) 0.05420(15) 0.0164(4) Uani 1 1 d . . . .
C8 C 0.0827(2) 0.64919(19) 0.44047(15) 0.0204(4) Uani 1 1 d . . . .
H8 H 0.1276 0.6282 0.4945 0.024 Uiso 1 1 calc R . . .
C36 C 0.3930(2) 0.80116(19) 0.39747(16) 0.0221(5) Uani 1 1 d . . . .
C11 C -0.0519(2) 0.70691(18) 0.27945(15) 0.0180(4) Uani 1 1 d . . . .
C6 C 0.1925(2) 0.50617(18) 0.33338(15) 0.0192(4) Uani 1 1 d . . . .
C33 C 0.4317(2) 0.69983(18) 0.21591(15) 0.0196(4) Uani 1 1 d . . . .
H33 H 0.4446 0.6653 0.1542 0.023 Uiso 1 1 calc R . . .
C37 C 0.5743(2) 0.56475(19) 0.27538(16) 0.0221(5) Uani 1 1 d . . . .
C31 C 0.3551(2) 0.78976(18) 0.22994(15) 0.0185(4) Uani 1 1 d . . . .
C19 C -0.1311(2) 0.73778(17) 0.19588(14) 0.0187(4) Uani 1 1 d . . . .
C34 C 0.4900(2) 0.65944(19) 0.29118(16) 0.0207(4) Uani 1 1 d . . . .
C9 C -0.0021(2) 0.73300(18) 0.45190(15) 0.0197(4) Uani 1 1 d . . . .
C13 C -0.0216(2) 0.79017(19) 0.54843(15) 0.0203(4) Uani 1 1 d . . . .
C1 C 0.1900(2) 0.45483(18) 0.23503(15) 0.0178(4) Uani 1 1 d . . . .
C24 C -0.2634(2) 0.74279(19) 0.17867(15) 0.0222(5) Uani 1 1 d . . . .
H24 H -0.3048 0.7242 0.2195 0.027 Uiso 1 1 calc R . . .
C20 C -0.0712(2) 0.76471(18) 0.13421(15) 0.0203(4) Uani 1 1 d . . . .
H20 H 0.0201 0.7612 0.1449 0.024 Uiso 1 1 calc R . . .
C2 C 0.2721(2) 0.37272(19) 0.21121(16) 0.0225(5) Uani 1 1 d . . . .
H2 H 0.2701 0.3379 0.1452 0.027 Uiso 1 1 calc R . . .
C5 C 0.2775(2) 0.4739(2) 0.40483(15) 0.0240(5) Uani 1 1 d . . . .
H5 H 0.2796 0.5081 0.4709 0.029 Uiso 1 1 calc R . . .
C10 C -0.0677(2) 0.76139(18) 0.37138(15) 0.0193(4) Uani 1 1 d . . . .
H10 H -0.1248 0.8193 0.3788 0.023 Uiso 1 1 calc R . . .
C43 C 0.3726(2) 0.85713(19) 0.49475(15) 0.0220(5) Uani 1 1 d . . . .
C23 C -0.3384(2) 0.7749(2) 0.10176(16) 0.0255(5) Uani 1 1 d . . . .
H23 H -0.4298 0.7781 0.0909 0.031 Uiso 1 1 calc R . . .
C14 C -0.0264(2) 0.7271(2) 0.60822(16) 0.0255(5) Uani 1 1 d . . . .
H14 H -0.0195 0.6466 0.5865 0.031 Uiso 1 1 calc R . . .
C28 C 0.1761(2) 0.81144(19) -0.01607(16) 0.0210(4) Uani 1 1 d . . . .
H28 H 0.1285 0.7628 -0.0811 0.025 Uiso 1 1 calc R . . .
C26 C 0.2960(2) 0.83479(18) 0.15026(15) 0.0184(4) Uani 1 1 d . . . .
C35 C 0.4696(2) 0.71138(19) 0.38122(15) 0.0223(5) Uani 1 1 d . . . .
H35 H 0.5092 0.6847 0.4329 0.027 Uiso 1 1 calc R . . .
C15 C -0.0415(2) 0.7830(2) 0.70054(17) 0.0296(5) Uani 1 1 d . . . .
H15 H -0.0451 0.7400 0.7408 0.035 Uiso 1 1 calc R . . .
C47 C 0.3391(2) 1.0237(2) 0.61921(17) 0.0295(5) Uani 1 1 d . . . .
H47 H 0.3295 1.1037 0.6417 0.035 Uiso 1 1 calc R . . .
C21 C -0.1450(2) 0.79642(19) 0.05773(16) 0.0240(5) Uani 1 1 d . . . .
H21 H -0.1042 0.8144 0.0163 0.029 Uiso 1 1 calc R . . .
C30 C 0.2608(3) 1.00233(19) 0.10174(17) 0.0289(5) Uani 1 1 d . . . .
H30 H 0.2722 1.0838 0.1182 0.035 Uiso 1 1 calc R . . .
C22 C -0.2790(2) 0.8017(2) 0.04199(16) 0.0269(5) Uani 1 1 d . . . .
H22 H -0.3293 0.8239 -0.0099 0.032 Uiso 1 1 calc R . . .
C27 C 0.3114(2) 0.95495(19) 0.17292(16) 0.0239(5) Uani 1 1 d . . . .
H27 H 0.3572 1.0047 0.2380 0.029 Uiso 1 1 calc R . . .
C39 C 0.7623(2) 0.4753(2) 0.33606(18) 0.0295(5) Uani 1 1 d . . . .
H39 H 0.8368 0.4756 0.3882 0.035 Uiso 1 1 calc R . . .
C42 C 0.5467(2) 0.4757(2) 0.18311(16) 0.0238(5) Uani 1 1 d . . . .
H42 H 0.4737 0.4759 0.1301 0.029 Uiso 1 1 calc R . . .
C41 C 0.6251(2) 0.3885(2) 0.16957(18) 0.0286(5) Uani 1 1 d . . . .
H41 H 0.6048 0.3284 0.1074 0.034 Uiso 1 1 calc R . . .
C3 C 0.3582(2) 0.3406(2) 0.28369(17) 0.0279(5) Uani 1 1 d . . . .
H3A H 0.4148 0.2844 0.2673 0.033 Uiso 1 1 calc R . . .
C4 C 0.3599(2) 0.3918(2) 0.38000(17) 0.0283(5) Uani 1 1 d . . . .
H4 H 0.4182 0.3702 0.4295 0.034 Uiso 1 1 calc R . . .
C40 C 0.7339(2) 0.3874(2) 0.24580(19) 0.0306(5) Uani 1 1 d . . . .
H40 H 0.7878 0.3272 0.2359 0.037 Uiso 1 1 calc R . . .
C16 C -0.0512(2) 0.8991(2) 0.73255(16) 0.0318(6) Uani 1 1 d . . . .
H16 H -0.0596 0.9368 0.7954 0.038 Uiso 1 1 calc R . . .
C18 C -0.0362(2) 0.9082(2) 0.58176(16) 0.0263(5) Uani 1 1 d . . . .
H18 H -0.0375 0.9514 0.5409 0.032 Uiso 1 1 calc R . . .
C29 C 0.1938(2) 0.9309(2) 0.00686(17) 0.0282(5) Uani 1 1 d . . . .
H29 H 0.1602 0.9628 -0.0423 0.034 Uiso 1 1 calc R . . .
C17 C -0.0486(2) 0.9621(2) 0.67261(18) 0.0311(5) Uani 1 1 d . . . .
H17 H -0.0555 1.0426 0.6948 0.037 Uiso 1 1 calc R . . .
C45 C 0.3516(2) 0.8446(2) 0.64459(17) 0.0316(6) Uani 1 1 d . . . .
H45 H 0.3492 0.8001 0.6840 0.038 Uiso 1 1 calc R . . .
C48 C 0.3564(2) 0.9725(2) 0.52811(17) 0.0277(5) Uani 1 1 d . . . .
H48 H 0.3571 1.0175 0.4888 0.033 Uiso 1 1 calc R . . .
C46 C 0.3355(2) 0.9610(2) 0.67672(17) 0.0332(6) Uani 1 1 d . . . .
H46 H 0.3221 0.9967 0.7381 0.040 Uiso 1 1 calc R . . .
C38 C 0.6830(2) 0.5632(2) 0.35160(16) 0.0233(5) Uani 1 1 d . . . .
H38 H 0.7031 0.6223 0.4143 0.028 Uiso 1 1 calc R . . .
C44 C 0.3711(2) 0.7932(2) 0.55447(16) 0.0265(5) Uani 1 1 d . . . .
H44 H 0.3836 0.7138 0.5332 0.032 Uiso 1 1 calc R . . .
O4 O -0.5657(9) 0.9158(8) -0.0964(6) 0.035(3) Uiso 0.207(6) 1 d . P A -1
H4A H -0.6486 0.9005 -0.0884 0.042 Uiso 0.207(6) 1 d G P A -1
H4B H -0.5149 0.9720 -0.0344 0.042 Uiso 0.207(6) 1 d G P A -1
H3 H 0.292(3) 0.485(3) -0.050(2) 0.055(11) Uiso 1 1 d . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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 Si2 O2 110.47(8) . .
O1 Si2 O3 108.64(8) . .
O1 Si2 C25 108.71(8) . .
O2 Si2 O3 109.82(8) . .
O2 Si2 C25 106.10(8) . .
O3 Si2 C25 113.07(9) . .
O1 Si1 O2 108.13(8) . 2_565
O1 Si1 C12 117.30(8) . .
O1 Si1 C1 113.02(8) . .
O2 Si1 C12 111.23(8) 2_565 .
O2 Si1 C1 113.46(9) 2_565 .
C1 Si1 C12 93.29(9) . .
Si2 O1 Si1 164.41(10) . .
Si1 O2 Si2 149.81(10) 2_565 .
C7 C12 Si1 107.60(15) . .
C11 C12 Si1 133.29(15) . .
C11 C12 C7 118.64(18) . .
C12 C7 C6 115.51(18) . .
C8 C7 C12 120.74(19) . .
C8 C7 C6 123.75(18) . .
C36 C32 C31 121.0(2) . .
C28 C25 Si2 116.95(16) . .
C28 C25 C26 118.35(19) . .
C26 C25 Si2 124.33(15) . .
C7 C8 C9 120.72(19) . .
C32 C36 C43 120.01(19) . .
C35 C36 C32 118.5(2) . .
C35 C36 C43 121.50(19) . .
C12 C11 C19 122.05(18) . .
C12 C11 C10 119.43(18) . .
C10 C11 C19 118.51(18) . .
C1 C6 C7 115.06(18) . .
C5 C6 C7 125.23(19) . .
C5 C6 C1 119.68(19) . .
C31 C33 C34 121.0(2) . .
C42 C37 C34 120.87(19) . .
C38 C37 C34 120.4(2) . .
C38 C37 C42 118.7(2) . .
C32 C31 C26 120.02(19) . .
C33 C31 C32 119.10(19) . .
C33 C31 C26 120.86(19) . .
C24 C19 C11 120.57(19) . .
C24 C19 C20 118.76(19) . .
C20 C19 C11 120.65(19) . .
C33 C34 C37 120.21(19) . .
C35 C34 C33 118.5(2) . .
C35 C34 C37 121.30(19) . .
C8 C9 C13 120.23(18) . .
C10 C9 C8 118.57(19) . .
C10 C9 C13 121.20(19) . .
C14 C13 C9 120.68(19) . .
C14 C13 C18 118.35(19) . .
C18 C13 C9 120.97(19) . .
C6 C1 Si1 108.19(15) . .
C2 C1 Si1 132.03(16) . .
C2 C1 C6 119.73(19) . .
C19 C24 C23 121.1(2) . .
C21 C20 C19 120.4(2) . .
C1 C2 C3 120.4(2) . .
C6 C5 C4 120.0(2) . .
C9 C10 C11 121.87(19) . .
C48 C43 C36 121.0(2) . .
C48 C43 C44 118.4(2) . .
C44 C43 C36 120.6(2) . .
C22 C23 C24 119.8(2) . .
C13 C14 C15 120.1(2) . .
C29 C28 C25 121.8(2) . .
C25 C26 C31 122.40(18) . .
C27 C26 C25 119.44(19) . .
C27 C26 C31 118.16(19) . .
C36 C35 C34 121.90(19) . .
C16 C15 C14 120.3(2) . .
C46 C47 C48 121.2(2) . .
C20 C21 C22 119.9(2) . .
C29 C30 C27 120.0(2) . .
C23 C22 C21 120.0(2) . .
C30 C27 C26 121.0(2) . .
C40 C39 C38 121.0(2) . .
C41 C42 C37 120.3(2) . .
C42 C41 C40 120.9(2) . .
C4 C3 C2 119.3(2) . .
C5 C4 C3 120.9(2) . .
C39 C40 C41 119.0(2) . .
C15 C16 C17 119.9(2) . .
C17 C18 C13 120.9(2) . .
C30 C29 C28 119.4(2) . .
C18 C17 C16 120.4(2) . .
C46 C45 C44 119.8(2) . .
C43 C48 C47 120.4(2) . .
C47 C46 C45 119.4(2) . .
C39 C38 C37 120.2(2) . .
C45 C44 C43 120.8(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si2 O1 1.6115(14) .
Si2 O2 1.6211(15) .
Si2 O3 1.6231(16) .
Si2 C25 1.866(2) .
Si1 O1 1.6117(14) .
Si1 O2 1.6182(15) 2_565
Si1 C12 1.862(2) .
Si1 C1 1.860(2) .
O2 Si1 1.6182(15) 2_565
C12 C7 1.420(3) .
C12 C11 1.397(3) .
C7 C8 1.388(3) .
C7 C6 1.493(3) .
C32 C36 1.393(3) .
C32 C31 1.404(3) .
C25 C28 1.401(3) .
C25 C26 1.407(3) .
C8 C9 1.392(3) .
C36 C43 1.500(3) .
C36 C35 1.393(3) .
C11 C19 1.488(3) .
C11 C10 1.404(3) .
C6 C1 1.416(3) .
C6 C5 1.384(3) .
C33 C31 1.391(3) .
C33 C34 1.398(3) .
C37 C34 1.491(3) .
C37 C42 1.411(3) .
C37 C38 1.395(3) .
C31 C26 1.492(3) .
C19 C24 1.374(3) .
C19 C20 1.408(3) .
C34 C35 1.396(3) .
C9 C13 1.488(3) .
C9 C10 1.392(3) .
C13 C14 1.402(3) .
C13 C18 1.404(3) .
C1 C2 1.383(3) .
C24 C23 1.403(3) .
C20 C21 1.391(3) .
C2 C3 1.399(3) .
C5 C4 1.388(3) .
C43 C48 1.378(3) .
C43 C44 1.402(3) .
C23 C22 1.379(3) .
C14 C15 1.409(3) .
C28 C29 1.395(3) .
C26 C27 1.404(3) .
C15 C16 1.369(3) .
C47 C48 1.395(3) .
C47 C46 1.367(4) .
C21 C22 1.393(3) .
C30 C27 1.389(3) .
C30 C29 1.382(3) .
C39 C40 1.384(4) .
C39 C38 1.393(3) .
C42 C41 1.378(3) .
C41 C40 1.394(3) .
C3 C4 1.391(3) .
C16 C17 1.398(3) .
C18 C17 1.374(3) .
C45 C46 1.388(4) .
C45 C44 1.393(3) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C28 H28 O2 0.95 2.53 2.988(3) 109.8 .
O4 H4B O4 0.96 1.94 2.891(17) 171.8 2_475
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
Si2 C25 C28 C29 173.74(18) . .
Si2 C25 C26 C31 8.1(3) . .
Si2 C25 C26 C27 -172.16(16) . .
Si1 C12 C7 C8 -173.11(17) . .
Si1 C12 C7 C6 6.3(2) . .
Si1 C12 C11 C19 -6.2(3) . .
Si1 C12 C11 C10 172.45(17) . .
Si1 C1 C2 C3 176.56(19) . .
O1 Si2 O2 Si1 -38.2(2) . 2_565
O1 Si2 C25 C28 -133.59(16) . .
O1 Si2 C25 C26 39.3(2) . .
O1 Si1 C12 C7 -123.00(14) . .
O1 Si1 C12 C11 65.3(2) . .
O1 Si1 C1 C6 123.94(15) . .
O1 Si1 C1 C2 -53.2(2) . .
O2 Si2 O1 Si1 41.7(4) . .
O2 Si2 C25 C28 -14.77(18) . .
O2 Si2 C25 C26 158.11(17) . .
O2 Si1 O1 Si2 -24.8(4) 2_565 .
O2 Si1 C12 C7 111.83(15) 2_565 .
O2 Si1 C12 C11 -59.9(2) 2_565 .
O2 Si1 C1 C6 -112.49(15) 2_565 .
O2 Si1 C1 C2 70.3(2) 2_565 .
O3 Si2 O1 Si1 -78.8(4) . .
O3 Si2 O2 Si1 81.6(2) . 2_565
O3 Si2 C25 C28 105.67(17) . .
O3 Si2 C25 C26 -81.45(19) . .
C12 Si1 O1 Si2 -151.5(4) . .
C12 Si1 C1 C6 2.37(16) . .
C12 Si1 C1 C2 -174.8(2) . .
C12 C7 C8 C9 -1.1(3) . .
C12 C7 C6 C1 -4.9(3) . .
C12 C7 C6 C5 173.1(2) . .
C12 C11 C19 C24 132.0(2) . .
C12 C11 C19 C20 -49.3(3) . .
C12 C11 C10 C9 -1.9(3) . .
C7 C12 C11 C19 -177.24(19) . .
C7 C12 C11 C10 1.5(3) . .
C7 C8 C9 C13 -179.5(2) . .
C7 C8 C9 C10 0.6(3) . .
C7 C6 C1 Si1 0.8(2) . .
C7 C6 C1 C2 178.37(19) . .
C7 C6 C5 C4 -177.9(2) . .
C32 C36 C43 C48 -31.1(3) . .
C32 C36 C43 C44 149.6(2) . .
C32 C36 C35 C34 -0.4(3) . .
C32 C31 C26 C25 -132.9(2) . .
C32 C31 C26 C27 47.3(3) . .
C25 Si2 O1 Si1 157.7(4) . .
C25 Si2 O2 Si1 -155.90(19) . 2_565
C25 C28 C29 C30 -1.2(4) . .
C25 C26 C27 C30 -0.9(3) . .
C8 C7 C6 C1 174.5(2) . .
C8 C7 C6 C5 -7.5(3) . .
C8 C9 C13 C14 -38.0(3) . .
C8 C9 C13 C18 142.3(2) . .
C8 C9 C10 C11 0.9(3) . .
C36 C32 C31 C33 0.1(3) . .
C36 C32 C31 C26 -178.5(2) . .
C36 C43 C48 C47 -179.3(2) . .
C36 C43 C44 C45 -179.6(2) . .
C11 C12 C7 C8 0.0(3) . .
C11 C12 C7 C6 179.47(18) . .
C11 C19 C24 C23 178.2(2) . .
C11 C19 C20 C21 -178.3(2) . .
C6 C7 C8 C9 179.5(2) . .
C6 C1 C2 C3 -0.4(3) . .
C6 C5 C4 C3 -0.2(4) . .
C33 C31 C26 C25 48.6(3) . .
C33 C31 C26 C27 -131.2(2) . .
C33 C34 C35 C36 0.3(3) . .
C37 C34 C35 C36 178.9(2) . .
C37 C42 C41 C40 -1.0(3) . .
C31 C32 C36 C43 179.3(2) . .
C31 C32 C36 C35 0.2(3) . .
C31 C33 C34 C37 -178.63(19) . .
C31 C33 C34 C35 0.1(3) . .
C31 C26 C27 C30 178.9(2) . .
C19 C11 C10 C9 176.8(2) . .
C19 C24 C23 C22 0.1(3) . .
C19 C20 C21 C22 0.1(3) . .
C34 C33 C31 C32 -0.2(3) . .
C34 C33 C31 C26 178.3(2) . .
C34 C37 C42 C41 -179.8(2) . .
C34 C37 C38 C39 -179.2(2) . .
C9 C13 C14 C15 178.3(2) . .
C9 C13 C18 C17 -177.2(2) . .
C13 C9 C10 C11 -178.96(19) . .
C13 C14 C15 C16 -0.2(4) . .
C13 C18 C17 C16 -2.1(4) . .
C1 Si1 O1 Si2 101.7(4) . .
C1 Si1 C12 C7 -4.93(16) . .
C1 Si1 C12 C11 -176.6(2) . .
C1 C6 C5 C4 0.1(3) . .
C1 C2 C3 C4 0.2(4) . .
C24 C19 C20 C21 0.4(3) . .
C24 C23 C22 C21 0.3(3) . .
C20 C19 C24 C23 -0.5(3) . .
C20 C21 C22 C23 -0.4(3) . .
C2 C3 C4 C5 0.0(4) . .
C5 C6 C1 Si1 -177.39(17) . .
C5 C6 C1 C2 0.2(3) . .
C10 C11 C19 C24 -46.7(3) . .
C10 C11 C19 C20 131.9(2) . .
C10 C9 C13 C14 141.9(2) . .
C10 C9 C13 C18 -37.9(3) . .
C43 C36 C35 C34 -179.4(2) . .
C14 C13 C18 C17 3.0(3) . .
C14 C15 C16 C17 1.3(4) . .
C28 C25 C26 C31 -179.13(19) . .
C28 C25 C26 C27 0.6(3) . .
C26 C25 C28 C29 0.4(3) . .
C35 C36 C43 C48 147.9(2) . .
C35 C36 C43 C44 -31.4(3) . .
C15 C16 C17 C18 -0.1(4) . .
C27 C30 C29 C28 1.0(4) . .
C42 C37 C34 C33 -33.7(3) . .
C42 C37 C34 C35 147.6(2) . .
C42 C37 C38 C39 0.1(3) . .
C42 C41 C40 C39 0.2(4) . .
C40 C39 C38 C37 -0.9(3) . .
C18 C13 C14 C15 -1.9(3) . .
C29 C30 C27 C26 0.1(4) . .
C48 C43 C44 C45 1.1(3) . .
C48 C47 C46 C45 1.0(4) . .
C46 C47 C48 C43 -1.1(4) . .
C46 C45 C44 C43 -1.1(4) . .
C38 C37 C34 C33 145.6(2) . .
C38 C37 C34 C35 -33.0(3) . .
C38 C37 C42 C41 0.8(3) . .
C38 C39 C40 C41 0.7(4) . .
C44 C43 C48 C47 0.0(3) . .
C44 C45 C46 C47 0.0(4) . .
