#------------------------------------------------------------------------------
#$Date: 2016-03-26 01:23:48 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180137 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/34/7103491.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_7103491
loop_
_publ_author_name
'Bassindale, Alan R'
'Liu, Zhihua'
'Taylor, Peter G'
'Horton, Peter N'
'Hursthouse, Michael B'
_publ_section_title
;
 A simple route to novel D spherosilicones; the first crystallographic
 structures of D(6) and D(8) cages.
;
_journal_issue                   43
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5625
_journal_page_last               5627
_journal_paper_doi               10.1039/b808456d
_journal_year                    2008
_chemical_formula_sum            'C60 H128 O8 Si8'
_chemical_formula_weight         1202.34
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.651(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.1468(8)
_cell_length_b                   34.4636(15)
_cell_length_c                   13.2620(7)
_cell_measurement_reflns_used    7617
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     7284.1(6)
_computing_cell_refinement
' DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_data_collection       ' DENZO (Otwinowski and Minor, 1997)'
_computing_data_reduction
' DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Nonius KappaCCD Area Detector'
_diffrn_measurement_method       'φ and ω scans to fill Ewald Sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1003
_diffrn_reflns_av_sigmaI/netI    0.1279
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            33358
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    0.193
_exptl_absorpt_correction_T_max  0.9942
_exptl_absorpt_correction_T_min  0.9166
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV Blessing (1997)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.096
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2656
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.561
_refine_diff_density_min         -0.348
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     348
_refine_ls_number_reflns         8180
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.1620
_refine_ls_R_factor_gt           0.0613
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0718P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1256
_refine_ls_wR_factor_ref         0.1574
_reflns_number_gt                3879
_reflns_number_total             8180
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b808456d.txt
_cod_data_source_block           02src552
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7103491
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.39856(5) 0.31670(2) 0.20506(6) 0.0193(2) Uani 1 1 d . . .
Si2 Si 0.40150(4) 0.25198(2) 0.37291(6) 0.0201(2) Uani 1 1 d . . .
Si3 Si 0.39851(5) 0.18724(2) 0.20235(6) 0.0206(2) Uani 1 1 d . . .
Si4 Si 0.39555(4) 0.25173(2) 0.03454(6) 0.0200(2) Uani 1 1 d . . .
O1 O 0.37236(11) 0.28571(5) 0.28017(14) 0.0227(5) Uani 1 1 d . . .
O2 O 0.36797(11) 0.21819(5) 0.10193(14) 0.0227(5) Uani 1 1 d . . .
O3 O 0.5000 0.32062(7) 0.2500 0.0215(6) Uani 1 2 d S . .
O4 O 0.50317(10) 0.25160(6) 0.42720(14) 0.0234(4) Uani 1 1 d . . .
O5 O 0.5000 0.18462(7) 0.2500 0.0222(6) Uani 1 2 d S . .
C1 C 0.36283(17) 0.20455(8) 0.3105(2) 0.0234(7) Uani 1 1 d . . .
H1A H 0.3008 0.2056 0.2799 0.028 Uiso 1 1 calc R . .
H1B H 0.3791 0.1848 0.3689 0.028 Uiso 1 1 calc R . .
C2 C 0.35919(17) 0.29974(9) 0.0631(2) 0.0232(7) Uani 1 1 d . . .
H2A H 0.3746 0.3194 0.0193 0.028 Uiso 1 1 calc R . .
H2B H 0.2972 0.2991 0.0370 0.028 Uiso 1 1 calc R . .
C3 C 0.35392(18) 0.36413(9) 0.2221(2) 0.0253(7) Uani 1 1 d . . .
H3A H 0.3507 0.3811 0.1604 0.030 Uiso 1 1 calc R . .
H3B H 0.2960 0.3599 0.2190 0.030 Uiso 1 1 calc R . .
C4 C 0.40382(18) 0.38538(8) 0.3284(2) 0.0256(7) Uani 1 1 d . . .
H4A H 0.4277 0.3658 0.3864 0.031 Uiso 1 1 calc R . .
H4B H 0.4513 0.3992 0.3189 0.031 Uiso 1 1 calc R . .
C5 C 0.35336(18) 0.41426(9) 0.3651(2) 0.0265(7) Uani 1 1 d . . .
H5A H 0.3086 0.4002 0.3805 0.032 Uiso 1 1 calc R . .
H5B H 0.3259 0.4327 0.3053 0.032 Uiso 1 1 calc R . .
C6 C 0.40563(18) 0.43689(9) 0.4652(2) 0.0305(7) Uani 1 1 d . . .
H6A H 0.4347 0.4182 0.5237 0.037 Uiso 1 1 calc R . .
H6B H 0.4493 0.4514 0.4485 0.037 Uiso 1 1 calc R . .
C7 C 0.35788(19) 0.46534(9) 0.5077(2) 0.0322(8) Uani 1 1 d . . .
H7A H 0.3156 0.4510 0.5275 0.039 Uiso 1 1 calc R . .
H7B H 0.3276 0.4839 0.4493 0.039 Uiso 1 1 calc R . .
C8 C 0.4144(2) 0.48797(10) 0.6062(3) 0.0400(9) Uani 1 1 d . . .
H8A H 0.4471 0.4692 0.6626 0.048 Uiso 1 1 calc R . .
H8B H 0.4548 0.5032 0.5849 0.048 Uiso 1 1 calc R . .
C9 C 0.3691(2) 0.51521(11) 0.6554(3) 0.0524(10) Uani 1 1 d . . .
H9A H 0.3364 0.5339 0.6005 0.079 Uiso 1 1 calc R . .
H9B H 0.4102 0.5291 0.7165 0.079 Uiso 1 1 calc R . .
H9C H 0.3314 0.5003 0.6810 0.079 Uiso 1 1 calc R . .
C10 C 0.36185(18) 0.26403(9) 0.4822(2) 0.0254(7) Uani 1 1 d . . .
H10A H 0.3002 0.2607 0.4535 0.030 Uiso 1 1 calc R . .
H10B H 0.3859 0.2453 0.5424 0.030 Uiso 1 1 calc R . .
C11 C 0.38276(18) 0.30541(9) 0.5277(2) 0.0263(7) Uani 1 1 d . . .
H11A H 0.4435 0.3100 0.5467 0.032 Uiso 1 1 calc R . .
H11B H 0.3521 0.3241 0.4699 0.032 Uiso 1 1 calc R . .
C12 C 0.3612(2) 0.31361(9) 0.6269(2) 0.0323(8) Uani 1 1 d . . .
H12A H 0.3014 0.3071 0.6100 0.039 Uiso 1 1 calc R . .
H12B H 0.3954 0.2965 0.6869 0.039 Uiso 1 1 calc R . .
C13 C 0.37599(19) 0.35553(9) 0.6644(2) 0.0307(8) Uani 1 1 d . . .
H13A H 0.4346 0.3625 0.6756 0.037 Uiso 1 1 calc R . .
H13B H 0.3389 0.3723 0.6056 0.037 Uiso 1 1 calc R . .
C14 C 0.3610(2) 0.36454(9) 0.7673(2) 0.0341(8) Uani 1 1 d . . .
H14A H 0.3992 0.3484 0.8268 0.041 Uiso 1 1 calc R . .
H14B H 0.3027 0.3572 0.7570 0.041 Uiso 1 1 calc R . .
C15 C 0.3745(2) 0.40704(10) 0.8008(3) 0.0391(9) Uani 1 1 d . . .
H15A H 0.4322 0.4145 0.8085 0.047 Uiso 1 1 calc R . .
H15B H 0.3351 0.4231 0.7420 0.047 Uiso 1 1 calc R . .
C16 C 0.3625(2) 0.41620(11) 0.9052(3) 0.0521(11) Uani 1 1 d . . .
H16A H 0.3039 0.4114 0.8960 0.078 Uiso 1 1 calc R . .
H16B H 0.3763 0.4435 0.9241 0.078 Uiso 1 1 calc R . .
H16C H 0.3993 0.3996 0.9633 0.078 Uiso 1 1 calc R . .
C17 C 0.35585(18) 0.13896(8) 0.1461(2) 0.0271(7) Uani 1 1 d . . .
H17A H 0.3545 0.1223 0.2062 0.032 Uiso 1 1 calc R . .
H17B H 0.2973 0.1423 0.0948 0.032 Uiso 1 1 calc R . .
C18 C 0.40582(18) 0.11799(9) 0.0873(2) 0.0291(7) Uani 1 1 d . . .
H18A H 0.4251 0.1375 0.0468 0.035 Uiso 1 1 calc R . .
H18B H 0.4563 0.1063 0.1424 0.035 Uiso 1 1 calc R . .
C19 C 0.35873(18) 0.08663(9) 0.0092(2) 0.0277(7) Uani 1 1 d . . .
H19A H 0.3096 0.0983 -0.0483 0.033 Uiso 1 1 calc R . .
H19B H 0.3375 0.0675 0.0485 0.033 Uiso 1 1 calc R . .
C20 C 0.4120(2) 0.06576(10) -0.0431(3) 0.0366(8) Uani 1 1 d . . .
H20A H 0.4600 0.0535 0.0148 0.044 Uiso 1 1 calc R . .
H20B H 0.4351 0.0853 -0.0793 0.044 Uiso 1 1 calc R . .
C21 C 0.3667(2) 0.03483(10) -0.1255(3) 0.0362(8) Uani 1 1 d . . .
H21A H 0.3448 0.0148 -0.0893 0.043 Uiso 1 1 calc R . .
H21B H 0.3182 0.0468 -0.1832 0.043 Uiso 1 1 calc R . .
C22 C 0.4215(2) 0.01544(11) -0.1770(3) 0.0474(10) Uani 1 1 d . . .
H22A H 0.4685 0.0024 -0.1194 0.057 Uiso 1 1 calc R . .
H22B H 0.4459 0.0357 -0.2095 0.057 Uiso 1 1 calc R . .
C23 C 0.3772(3) -0.01417(11) -0.2638(3) 0.0558(11) Uani 1 1 d . . .
H23A H 0.3502 -0.0337 -0.2338 0.084 Uiso 1 1 calc R . .
H23B H 0.4181 -0.0269 -0.2885 0.084 Uiso 1 1 calc R . .
H23C H 0.3346 -0.0011 -0.3252 0.084 Uiso 1 1 calc R . .
C24 C 0.35223(18) 0.23923(9) -0.1117(2) 0.0259(7) Uani 1 1 d . . .
H24A H 0.2903 0.2412 -0.1385 0.031 Uiso 1 1 calc R . .
H24B H 0.3725 0.2585 -0.1518 0.031 Uiso 1 1 calc R . .
C25 C 0.37625(19) 0.19819(9) -0.1368(2) 0.0290(7) Uani 1 1 d . . .
H25A H 0.4374 0.1946 -0.0987 0.035 Uiso 1 1 calc R . .
H25B H 0.3476 0.1789 -0.1073 0.035 Uiso 1 1 calc R . .
C26 C 0.35403(19) 0.19010(9) -0.2567(2) 0.0314(8) Uani 1 1 d . . .
H26A H 0.3850 0.2085 -0.2857 0.038 Uiso 1 1 calc R . .
H26B H 0.2933 0.1947 -0.2957 0.038 Uiso 1 1 calc R . .
C27 C 0.3748(2) 0.14873(10) -0.2790(3) 0.0346(8) Uani 1 1 d . . .
H27A H 0.4346 0.1436 -0.2351 0.042 Uiso 1 1 calc R . .
H27B H 0.3407 0.1306 -0.2545 0.042 Uiso 1 1 calc R . .
C28 C 0.3595(2) 0.14031(10) -0.3974(2) 0.0370(9) Uani 1 1 d . . .
H28A H 0.3007 0.1472 -0.4420 0.044 Uiso 1 1 calc R . .
H28B H 0.3966 0.1571 -0.4205 0.044 Uiso 1 1 calc R . .
C29 C 0.3746(2) 0.09873(10) -0.4193(3) 0.0404(9) Uani 1 1 d . . .
H29A H 0.3367 0.0819 -0.3976 0.048 Uiso 1 1 calc R . .
H29B H 0.4330 0.0917 -0.3740 0.048 Uiso 1 1 calc R . .
C30 C 0.3603(2) 0.09083(12) -0.5384(3) 0.0526(10) Uani 1 1 d . . .
H30A H 0.3022 0.0973 -0.5838 0.079 Uiso 1 1 calc R . .
H30B H 0.3707 0.0633 -0.5476 0.079 Uiso 1 1 calc R . .
H30C H 0.3988 0.1068 -0.5600 0.079 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
_geom_angle_publ_flag
O3 Si1 O1 109.23(9) . . ?
O3 Si1 C2 109.90(10) . . ?
O1 Si1 C2 109.62(12) . . ?
O3 Si1 C3 108.45(13) . . ?
O1 Si1 C3 106.46(12) . . ?
C2 Si1 C3 113.08(13) . . ?
O4 Si2 O1 108.69(10) . . ?
O4 Si2 C1 110.01(12) . . ?
O1 Si2 C1 109.52(12) . . ?
O4 Si2 C10 107.32(12) . . ?
O1 Si2 C10 109.27(12) . . ?
C1 Si2 C10 111.95(13) . . ?
O5 Si3 O2 109.23(10) . . ?
O5 Si3 C1 109.26(10) . . ?
O2 Si3 C1 108.81(12) . . ?
O5 Si3 C17 108.28(13) . . ?
O2 Si3 C17 107.28(12) . . ?
C1 Si3 C17 113.89(13) . . ?
O4 Si4 O2 108.66(10) 2_655 . ?
O4 Si4 C24 107.26(12) 2_655 . ?
O2 Si4 C24 108.82(12) . . ?
O4 Si4 C2 109.91(12) 2_655 . ?
O2 Si4 C2 109.39(12) . . ?
C24 Si4 C2 112.70(13) . . ?
Si2 O1 Si1 148.18(12) . . ?
Si4 O2 Si3 146.81(12) . . ?
Si1 O3 Si1 170.44(19) 2_655 . ?
Si4 O4 Si2 172.54(13) 2_655 . ?
Si3 O5 Si3 173.62(19) 2_655 . ?
Si2 C1 Si3 117.82(15) . . ?
Si2 C1 H1A 107.9 . . ?
Si3 C1 H1A 107.9 . . ?
Si2 C1 H1B 107.9 . . ?
Si3 C1 H1B 107.9 . . ?
H1A C1 H1B 107.2 . . ?
Si1 C2 Si4 117.84(15) . . ?
Si1 C2 H2A 107.8 . . ?
Si4 C2 H2A 107.8 . . ?
Si1 C2 H2B 107.8 . . ?
Si4 C2 H2B 107.8 . . ?
H2A C2 H2B 107.2 . . ?
C4 C3 Si1 114.63(19) . . ?
C4 C3 H3A 108.6 . . ?
Si1 C3 H3A 108.6 . . ?
C4 C3 H3B 108.6 . . ?
Si1 C3 H3B 108.6 . . ?
H3A C3 H3B 107.6 . . ?
C5 C4 C3 114.7(2) . . ?
C5 C4 H4A 108.6 . . ?
C3 C4 H4A 108.6 . . ?
C5 C4 H4B 108.6 . . ?
C3 C4 H4B 108.6 . . ?
H4A C4 H4B 107.6 . . ?
C4 C5 C6 113.4(2) . . ?
C4 C5 H5A 108.9 . . ?
C6 C5 H5A 108.9 . . ?
C4 C5 H5B 108.9 . . ?
C6 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
C7 C6 C5 115.7(3) . . ?
C7 C6 H6A 108.4 . . ?
C5 C6 H6A 108.4 . . ?
C7 C6 H6B 108.4 . . ?
C5 C6 H6B 108.4 . . ?
H6A C6 H6B 107.4 . . ?
C6 C7 C8 113.0(3) . . ?
C6 C7 H7A 109.0 . . ?
C8 C7 H7A 109.0 . . ?
C6 C7 H7B 109.0 . . ?
C8 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C9 C8 C7 115.0(3) . . ?
C9 C8 H8A 108.5 . . ?
C7 C8 H8A 108.5 . . ?
C9 C8 H8B 108.5 . . ?
C7 C8 H8B 108.5 . . ?
H8A C8 H8B 107.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 Si2 114.4(2) . . ?
C11 C10 H10A 108.7 . . ?
Si2 C10 H10A 108.7 . . ?
C11 C10 H10B 108.7 . . ?
Si2 C10 H10B 108.7 . . ?
H10A C10 H10B 107.6 . . ?
C12 C11 C10 114.6(2) . . ?
C12 C11 H11A 108.6 . . ?
C10 C11 H11A 108.6 . . ?
C12 C11 H11B 108.6 . . ?
C10 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
C13 C12 C11 113.3(3) . . ?
C13 C12 H12A 108.9 . . ?
C11 C12 H12A 108.9 . . ?
C13 C12 H12B 108.9 . . ?
C11 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
C14 C13 C12 115.3(3) . . ?
C14 C13 H13A 108.5 . . ?
C12 C13 H13A 108.5 . . ?
C14 C13 H13B 108.5 . . ?
C12 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
C13 C14 C15 113.7(3) . . ?
C13 C14 H14A 108.8 . . ?
C15 C14 H14A 108.8 . . ?
C13 C14 H14B 108.8 . . ?
C15 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
C16 C15 C14 114.3(3) . . ?
C16 C15 H15A 108.7 . . ?
C14 C15 H15A 108.7 . . ?
C16 C15 H15B 108.7 . . ?
C14 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 Si3 114.5(2) . . ?
C18 C17 H17A 108.6 . . ?
Si3 C17 H17A 108.6 . . ?
C18 C17 H17B 108.6 . . ?
Si3 C17 H17B 108.6 . . ?
H17A C17 H17B 107.6 . . ?
C19 C18 C17 115.3(2) . . ?
C19 C18 H18A 108.4 . . ?
C17 C18 H18A 108.4 . . ?
C19 C18 H18B 108.4 . . ?
C17 C18 H18B 108.4 . . ?
H18A C18 H18B 107.5 . . ?
C18 C19 C20 113.2(3) . . ?
C18 C19 H19A 108.9 . . ?
C20 C19 H19A 108.9 . . ?
C18 C19 H19B 108.9 . . ?
C20 C19 H19B 108.9 . . ?
H19A C19 H19B 107.8 . . ?
C19 C20 C21 115.3(3) . . ?
C19 C20 H20A 108.4 . . ?
C21 C20 H20A 108.4 . . ?
C19 C20 H20B 108.4 . . ?
C21 C20 H20B 108.4 . . ?
H20A C20 H20B 107.5 . . ?
C22 C21 C20 113.5(3) . . ?
C22 C21 H21A 108.9 . . ?
C20 C21 H21A 108.9 . . ?
C22 C21 H21B 108.9 . . ?
C20 C21 H21B 108.9 . . ?
H21A C21 H21B 107.7 . . ?
C21 C22 C23 114.9(3) . . ?
C21 C22 H22A 108.5 . . ?
C23 C22 H22A 108.5 . . ?
C21 C22 H22B 108.5 . . ?
C23 C22 H22B 108.5 . . ?
H22A C22 H22B 107.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 Si4 113.76(19) . . ?
C25 C24 H24A 108.8 . . ?
Si4 C24 H24A 108.8 . . ?
C25 C24 H24B 108.8 . . ?
Si4 C24 H24B 108.8 . . ?
H24A C24 H24B 107.7 . . ?
C26 C25 C24 114.2(2) . . ?
C26 C25 H25A 108.7 . . ?
C24 C25 H25A 108.7 . . ?
C26 C25 H25B 108.7 . . ?
C24 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
C25 C26 C27 112.8(3) . . ?
C25 C26 H26A 109.0 . . ?
C27 C26 H26A 109.0 . . ?
C25 C26 H26B 109.0 . . ?
C27 C26 H26B 109.0 . . ?
H26A C26 H26B 107.8 . . ?
C28 C27 C26 114.5(3) . . ?
C28 C27 H27A 108.6 . . ?
C26 C27 H27A 108.6 . . ?
C28 C27 H27B 108.6 . . ?
C26 C27 H27B 108.6 . . ?
H27A C27 H27B 107.6 . . ?
C29 C28 C27 113.9(3) . . ?
C29 C28 H28A 108.8 . . ?
C27 C28 H28A 108.8 . . ?
C29 C28 H28B 108.8 . . ?
C27 C28 H28B 108.8 . . ?
H28A C28 H28B 107.7 . . ?
C28 C29 C30 113.3(3) . . ?
C28 C29 H29A 108.9 . . ?
C30 C29 H29A 108.9 . . ?
C28 C29 H29B 108.9 . . ?
C30 C29 H29B 108.9 . . ?
H29A C29 H29B 107.7 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
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
Si1 O3 1.6229(8) . ?
Si1 O1 1.6326(19) . ?
Si1 C2 1.844(3) . ?
Si1 C3 1.854(3) . ?
Si2 O4 1.6222(18) . ?
Si2 O1 1.631(2) . ?
Si2 C1 1.841(3) . ?
Si2 C10 1.861(3) . ?
Si3 O5 1.6199(8) . ?
Si3 O2 1.6344(19) . ?
Si3 C1 1.853(3) . ?
Si3 C17 1.859(3) . ?
Si4 O4 1.6195(18) 2_655 ?
Si4 O2 1.634(2) . ?
Si4 C24 1.853(3) . ?
Si4 C2 1.856(3) . ?
O3 Si1 1.6229(8) 2_655 ?
O4 Si4 1.6195(18) 2_655 ?
O5 Si3 1.6199(8) 2_655 ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.537(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.512(4) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.515(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.514(4) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.523(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.511(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.538(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.519(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.519(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.511(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.523(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.507(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.536(4) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.508(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.517(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.519(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.506(5) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.516(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.543(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.519(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.525(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.522(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.503(5) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.530(5) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
