#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:22:22 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178561 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/69/4066934.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_4066934
loop_
_publ_author_name
'Berkefeld, André'
'Troegel, Dennis'
'Burschka, Christian'
'Tacke, Reinhold'
_publ_section_title
;
 Synthesis and Characterization of
 {[Tris(trimethylsilyl)silyl]methyl}silanes of the Formula Type
 Me4−nSi[CH2Si(SiMe3)3]n(n= 1−3) and Derivatives
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4548
_journal_paper_doi               10.1021/om100721t
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C30 H72 O3 Si9'
_chemical_formula_sum            'C30 H72 O3 Si9'
_chemical_formula_weight         733.69
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           6
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2y'
_symmetry_space_group_name_H-M   'P 1 m 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                 118.64(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.017(2)
_cell_length_b                   26.789(4)
_cell_length_c                   10.0531(17)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      6.05
_cell_volume                     2367.6(8)
_computing_cell_refinement       Stoe-IPDS
_computing_data_collection       Stoe-IPDs
_computing_data_reduction        Stoe-IPDS
_computing_molecular_graphics    Ortep/Povray
_computing_publication_material  Bruker-SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  image_plate_Stoe-IPDS
_diffrn_measurement_method       omega_scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_av_sigmaI/netI    0.0444
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            24080
_diffrn_reflns_theta_full        26.92
_diffrn_reflns_theta_max         26.92
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    0.277
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.029
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             804
_exptl_crystal_size_max          .5
_exptl_crystal_size_mid          .4
_exptl_crystal_size_min          .3
_refine_diff_density_max         0.595
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.062
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.0(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     440
_refine_ls_number_reflns         10099
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0464
_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)+(0.0797P)²+0.8833P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1285
_refine_ls_wR_factor_ref         0.1314
_reflns_number_gt                9232
_reflns_number_total             10099
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100721t_si_002.cif
_cod_data_source_block           ber04bq_Compound_10
_cod_original_cell_volume        2367.8(7)
_cod_original_sg_symbol_H-M      Pm
_cod_database_code               4066934
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.8374(6) 0.36547(18) 0.6584(5) 0.0589(10) Uani 1 1 d .
H1A H 0.7607 0.3413 0.5924 0.088 Uiso 1 1 calc R
H1B H 0.7965 0.3994 0.6306 0.088 Uiso 1 1 calc R
H1C H 0.8637 0.3590 0.7641 0.088 Uiso 1 1 calc R
C2 C 1.0829(7) 0.29391(18) 0.6943(6) 0.0711(13) Uani 1 1 d .
H2A H 1.0818 0.2856 0.7888 0.107 Uiso 1 1 calc R
H2B H 1.1871 0.2914 0.7101 0.107 Uiso 1 1 calc R
H2C H 1.0173 0.2706 0.6146 0.107 Uiso 1 1 calc R
C3 C 1.1610(5) 0.40347(19) 0.7758(5) 0.0598(10) Uani 1 1 d .
H3A H 1.1204 0.4375 0.7580 0.090 Uiso 1 1 calc R
H3B H 1.2515 0.4023 0.7622 0.090 Uiso 1 1 calc R
H3C H 1.1884 0.3933 0.8795 0.090 Uiso 1 1 calc R
C4 C 1.1495(6) 0.26289(15) 0.3573(6) 0.0637(11) Uani 1 1 d .
H4A H 1.0524 0.2527 0.2715 0.096 Uiso 1 1 calc R
H4B H 1.1545 0.2511 0.4519 0.096 Uiso 1 1 calc R
H4C H 1.2334 0.2483 0.3464 0.096 Uiso 1 1 calc R
C5 C 1.3560(5) 0.35059(18) 0.5233(6) 0.0654(12) Uani 1 1 d .
H5A H 1.3716 0.3329 0.6150 0.098 Uiso 1 1 calc R
H5B H 1.3599 0.3867 0.5408 0.098 Uiso 1 1 calc R
H5C H 1.4360 0.3411 0.4985 0.098 Uiso 1 1 calc R
C6 C 1.1554(6) 0.3534(2) 0.1766(6) 0.0676(12) Uani 1 1 d .
H6A H 1.2356 0.3365 0.1643 0.101 Uiso 1 1 calc R
H6B H 1.1695 0.3896 0.1773 0.101 Uiso 1 1 calc R
H6C H 1.0558 0.3444 0.0922 0.101 Uiso 1 1 calc R
C7 C 0.7341(5) 0.27721(14) 0.2239(5) 0.0570(10) Uani 1 1 d .
H7A H 0.6311 0.2644 0.1597 0.085 Uiso 1 1 calc R
H7B H 0.7666 0.2689 0.3300 0.085 Uiso 1 1 calc R
H7C H 0.8041 0.2620 0.1933 0.085 Uiso 1 1 calc R
C8 C 0.5744(4) 0.37313(18) 0.2272(6) 0.0582(10) Uani 1 1 d .
H8A H 0.5814 0.4096 0.2328 0.087 Uiso 1 1 calc R
H8B H 0.5807 0.3600 0.3209 0.087 Uiso 1 1 calc R
H8C H 0.4773 0.3633 0.1408 0.087 Uiso 1 1 calc R
C9 C 0.6990(5) 0.36173(15) 0.0045(4) 0.0551(10) Uani 1 1 d .
H9A H 0.6079 0.3439 -0.0689 0.083 Uiso 1 1 calc R
H9B H 0.7866 0.3511 -0.0068 0.083 Uiso 1 1 calc R
H9C H 0.6837 0.3977 -0.0138 0.083 Uiso 1 1 calc R
C10 C 1.0257(3) 0.44458(10) 0.3757(3) 0.0311(6) Uani 1 1 d .
H10A H 1.1185 0.4517 0.4725 0.037 Uiso 1 1 calc R
H10B H 1.0570 0.4453 0.2961 0.037 Uiso 1 1 calc R
C11 C 0.8245(5) 0.5000 0.4783(5) 0.0372(9) Uani 1 2 d S
H11A H 0.9103 0.5000 0.5815 0.056 Uiso 1 2 calc SR
H11B H 0.7623 0.4701 0.4632 0.056 Uiso 0.50 1 calc PR
H11C H 0.7623 0.5299 0.4632 0.056 Uiso 0.50 1 calc PR
C12 C 0.7423(5) 0.5000 0.1303(5) 0.0291(8) Uani 1 2 d S
C13 C 0.7818(5) 0.5000 0.0142(5) 0.0308(8) Uani 1 2 d S
C14 C 0.6728(5) 0.5000 -0.1414(5) 0.0344(9) Uani 1 2 d S
H14 H 0.7037 0.5000 -0.2172 0.041 Uiso 1 2 calc SR
C15 C 0.5220(5) 0.5000 -0.1801(5) 0.0390(10) Uani 1 2 d S
C16 C 0.4756(5) 0.5000 -0.0706(5) 0.0412(10) Uani 1 2 d S
H16 H 0.3704 0.5000 -0.0991 0.049 Uiso 1 2 calc SR
C17 C 0.5860(5) 0.5000 0.0832(5) 0.0350(9) Uani 1 2 d S
C18 C 0.9783(7) 0.5000 -0.0518(8) 0.087(3) Uani 1 2 d S
H18A H 1.0896 0.5000 -0.0037 0.130 Uiso 1 2 calc SR
H18B H 0.9384 0.5299 -0.1150 0.130 Uiso 0.50 1 calc PR
H18C H 0.9384 0.4701 -0.1150 0.130 Uiso 0.50 1 calc PR
C19 C 0.4448(7) 0.5000 -0.4458(6) 0.0620(16) Uani 1 2 d S
H19A H 0.3519 0.5000 -0.5440 0.093 Uiso 1 2 calc SR
H19B H 0.5048 0.4701 -0.4375 0.093 Uiso 0.50 1 calc PR
H19C H 0.5048 0.5299 -0.4375 0.093 Uiso 0.50 1 calc PR
C20 C 0.3897(6) 0.5000 0.1518(6) 0.0526(13) Uani 1 2 d S
H20A H 0.3766 0.5000 0.2424 0.079 Uiso 1 2 calc SR
H20B H 0.3419 0.4701 0.0913 0.079 Uiso 0.50 1 calc PR
H20C H 0.3419 0.5299 0.0913 0.079 Uiso 0.50 1 calc PR
C21 C 1.0427(6) 0.1456(3) 0.9043(8) 0.0887(19) Uani 1 1 d .
H21A H 1.0322 0.1538 0.8047 0.133 Uiso 1 1 calc R
H21B H 1.0570 0.1095 0.9213 0.133 Uiso 1 1 calc R
H21C H 1.1309 0.1632 0.9832 0.133 Uiso 1 1 calc R
C22 C 0.8586(7) 0.23569(15) 0.9001(5) 0.0683(13) Uani 1 1 d .
H22A H 0.9368 0.2497 0.9961 0.102 Uiso 1 1 calc R
H22B H 0.7581 0.2472 0.8811 0.102 Uiso 1 1 calc R
H22C H 0.8771 0.2467 0.8174 0.102 Uiso 1 1 calc R
C23 C 0.8846(7) 0.14611(18) 1.1003(5) 0.0728(14) Uani 1 1 d .
H23A H 0.9788 0.1599 1.1823 0.109 Uiso 1 1 calc R
H23B H 0.8871 0.1096 1.1075 0.109 Uiso 1 1 calc R
H23C H 0.7975 0.1589 1.1092 0.109 Uiso 1 1 calc R
C24 C 0.7781(7) 0.1435(2) 0.4465(7) 0.0751(16) Uani 1 1 d .
H24A H 0.8046 0.1080 0.4608 0.113 Uiso 1 1 calc R
H24B H 0.8654 0.1633 0.5182 0.113 Uiso 1 1 calc R
H24C H 0.7509 0.1533 0.3427 0.113 Uiso 1 1 calc R
C25 C 0.5827(6) 0.22411(14) 0.4847(5) 0.0574(10) Uani 1 1 d .
H25A H 0.6775 0.2398 0.5596 0.086 Uiso 1 1 calc R
H25B H 0.5026 0.2304 0.5122 0.086 Uiso 1 1 calc R
H25C H 0.5524 0.2383 0.3843 0.086 Uiso 1 1 calc R
C26 C 0.4360(6) 0.12914(19) 0.3159(5) 0.0691(13) Uani 1 1 d .
H26A H 0.4454 0.1317 0.2235 0.104 Uiso 1 1 calc R
H26B H 0.3472 0.1483 0.3032 0.104 Uiso 1 1 calc R
H26C H 0.4235 0.0941 0.3352 0.104 Uiso 1 1 calc R
C27 C 0.4490(6) 0.20583(16) 0.8208(6) 0.0664(12) Uani 1 1 d .
H27A H 0.4529 0.2293 0.7479 0.100 Uiso 1 1 calc R
H27B H 0.5397 0.2101 0.9196 0.100 Uiso 1 1 calc R
H27C H 0.3578 0.2123 0.8304 0.100 Uiso 1 1 calc R
C28 C 0.4466(5) 0.09641(16) 0.9014(5) 0.0562(10) Uani 1 1 d .
H28A H 0.5423 0.1007 0.9957 0.084 Uiso 1 1 calc R
H28B H 0.4384 0.0618 0.8664 0.084 Uiso 1 1 calc R
H28C H 0.3610 0.1040 0.9196 0.084 Uiso 1 1 calc R
C29 C 0.2538(5) 0.13201(16) 0.5766(6) 0.0594(10) Uani 1 1 d .
H29A H 0.1728 0.1451 0.5950 0.089 Uiso 1 1 calc R
H29B H 0.2358 0.0965 0.5510 0.089 Uiso 1 1 calc R
H29C H 0.2545 0.1502 0.4924 0.089 Uiso 1 1 calc R
C30 C 0.7184(4) 0.05576(10) 0.7651(3) 0.0317(6) Uani 1 1 d .
H30A H 0.8275 0.0554 0.7930 0.038 Uiso 1 1 calc R
H30B H 0.7139 0.0483 0.8594 0.038 Uiso 1 1 calc R
C31 C 0.4223(5) 0.0000 0.5655(5) 0.0383(9) Uani 1 2 d S
H31A H 0.3704 0.0000 0.4544 0.057 Uiso 1 2 calc SR
H31B H 0.3931 0.0299 0.6017 0.057 Uiso 0.50 1 calc PR
H31C H 0.3931 -0.0299 0.6017 0.057 Uiso 0.50 1 calc PR
C32 C 0.6884(5) 0.0000 0.4833(4) 0.0273(8) Uani 1 2 d S
C33 C 0.8409(5) 0.0000 0.5203(4) 0.0288(8) Uani 1 2 d S
C34 C 0.8926(5) 0.0000 0.4134(5) 0.0335(9) Uani 1 2 d S
H34 H 0.9983 0.0000 0.4446 0.040 Uiso 1 2 calc SR
C35 C 0.7856(5) 0.0000 0.2604(5) 0.0337(9) Uani 1 2 d S
C36 C 0.6302(5) 0.0000 0.2138(5) 0.0363(9) Uani 1 2 d S
H36 H 0.5573 0.0000 0.1093 0.044 Uiso 1 2 calc SR
C37 C 0.5846(5) 0.0000 0.3249(5) 0.0305(8) Uani 1 2 d S
C38 C 1.0979(7) 0.0000 0.7192(7) 0.083(3) Uani 1 2 d S
H38A H 1.1565 0.0000 0.8301 0.124 Uiso 1 2 calc SR
H38B H 1.1231 0.0299 0.6794 0.124 Uiso 0.50 1 calc PR
H38C H 1.1231 -0.0299 0.6794 0.124 Uiso 0.50 1 calc PR
C39 C 0.9747(7) 0.0000 0.1805(7) 0.0565(14) Uani 1 2 d S
H39A H 0.9831 0.0000 0.0873 0.085 Uiso 1 2 calc SR
H39B H 1.0243 -0.0299 0.2400 0.085 Uiso 0.50 1 calc PR
H39C H 1.0243 0.0299 0.2400 0.085 Uiso 0.50 1 calc PR
C40 C 0.3255(5) 0.0000 0.1300(5) 0.0474(12) Uani 1 2 d S
H40A H 0.2228 0.0000 0.1188 0.071 Uiso 1 2 calc SR
H40B H 0.3393 -0.0299 0.0816 0.071 Uiso 0.50 1 calc PR
H40C H 0.3393 0.0299 0.0816 0.071 Uiso 0.50 1 calc PR
O1 O 0.9329(3) 0.5000 0.0605(4) 0.0398(7) Uani 1 2 d S
O2 O 0.4054(4) 0.5000 -0.3266(4) 0.0555(10) Uani 1 2 d S
O3 O 0.5458(4) 0.5000 0.1956(4) 0.0411(7) Uani 1 2 d S
O21 O 0.9430(3) 0.0000 0.6746(3) 0.0390(7) Uani 1 2 d S
O22 O 0.8204(4) 0.0000 0.1433(4) 0.0484(9) Uani 1 2 d S
O23 O 0.4350(3) 0.0000 0.2874(3) 0.0389(7) Uani 1 2 d S
Si1 Si 0.97461(9) 0.37624(3) 0.38892(9) 0.02918(17) Uani 1 1 d .
Si2 Si 1.01122(11) 0.35930(4) 0.63607(10) 0.0405(2) Uani 1 1 d .
Si3 Si 1.16528(11) 0.33345(3) 0.36168(12) 0.0408(2) Uani 1 1 d .
Si4 Si 0.73517(10) 0.34738(3) 0.20220(10) 0.03668(19) Uani 1 1 d .
Si5 Si 0.89826(12) 0.5000 0.33838(12) 0.0272(2) Uani 1 2 d S
Si21 Si 0.65509(9) 0.12366(3) 0.71744(9) 0.02902(17) Uani 1 1 d .
Si22 Si 0.86603(12) 0.16540(4) 0.91132(12) 0.0444(2) Uani 1 1 d .
Si23 Si 0.61235(11) 0.15491(3) 0.48073(11) 0.0402(2) Uani 1 1 d .
Si24 Si 0.44282(11) 0.14001(3) 0.75229(11) 0.0392(2) Uani 1 1 d .
Si25 Si 0.63236(12) 0.0000 0.63898(12) 0.0260(2) Uani 1 2 d S
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
Si2 C1 H1A 109.5 . .
Si2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
Si2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
Si2 C2 H2A 109.5 . .
Si2 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Si2 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Si2 C3 H3A 109.5 . .
Si2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Si2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
Si3 C4 H4A 109.5 . .
Si3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
Si3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
Si3 C5 H5A 109.5 . .
Si3 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
Si3 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
Si3 C6 H6A 109.5 . .
Si3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
Si3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
Si4 C7 H7A 109.5 . .
Si4 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
Si4 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si4 C8 H8A 109.5 . .
Si4 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
Si4 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
Si4 C9 H9A 109.5 . .
Si4 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
Si4 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
Si5 C10 Si1 126.13(16) . .
Si5 C10 H10A 105.8 . .
Si1 C10 H10A 105.8 . .
Si5 C10 H10B 105.8 . .
Si1 C10 H10B 105.8 . .
H10A C10 H10B 106.2 . .
Si5 C11 H11A 109.5 . .
Si5 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
Si5 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C13 C12 C17 115.8(4) . .
C13 C12 Si5 120.1(3) . .
C17 C12 Si5 124.2(3) . .
O1 C13 C12 115.4(4) . .
O1 C13 C14 121.5(4) . .
C12 C13 C14 123.0(4) . .
C15 C14 C13 118.4(4) . .
C15 C14 H14 120.8 . .
C13 C14 H14 120.8 . .
C14 C15 O2 124.1(4) . .
C14 C15 C16 121.3(4) . .
O2 C15 C16 114.6(4) . .
C15 C16 C17 119.2(4) . .
C15 C16 H16 120.4 . .
C17 C16 H16 120.4 . .
O3 C17 C12 116.4(4) . .
O3 C17 C16 121.3(4) . .
C12 C17 C16 122.3(4) . .
O1 C18 H18A 109.5 . .
O1 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
O1 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O2 C19 H19A 109.5 . .
O2 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
O2 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O3 C20 H20A 109.5 . .
O3 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
O3 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
Si22 C21 H21A 109.5 . .
Si22 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
Si22 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
Si22 C22 H22A 109.5 . .
Si22 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
Si22 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
Si22 C23 H23A 109.5 . .
Si22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
Si22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
Si23 C24 H24A 109.5 . .
Si23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
Si23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Si23 C25 H25A 109.5 . .
Si23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
Si23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
Si23 C26 H26A 109.5 . .
Si23 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
Si23 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
Si24 C27 H27A 109.5 . .
Si24 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
Si24 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
Si24 C28 H28A 109.5 . .
Si24 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
Si24 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
Si24 C29 H29A 109.5 . .
Si24 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
Si24 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
Si25 C30 Si21 126.69(16) . .
Si25 C30 H30A 105.6 . .
Si21 C30 H30A 105.6 . .
Si25 C30 H30B 105.6 . .
Si21 C30 H30B 105.6 . .
H30A C30 H30B 106.1 . .
Si25 C31 H31A 109.5 . .
Si25 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
Si25 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C33 C32 C37 114.8(4) . .
C33 C32 Si25 120.1(3) . .
C37 C32 Si25 125.1(3) . .
C32 C33 O21 115.2(4) . .
C32 C33 C34 124.0(4) . .
O21 C33 C34 120.8(4) . .
C35 C34 C33 118.5(4) . .
C35 C34 H34 120.7 . .
C33 C34 H34 120.7 . .
O22 C35 C34 124.6(4) . .
O22 C35 C36 114.3(4) . .
C34 C35 C36 121.0(4) . .
C37 C36 C35 118.2(4) . .
C37 C36 H36 120.9 . .
C35 C36 H36 120.9 . .
O23 C37 C36 121.2(4) . .
O23 C37 C32 115.3(4) . .
C36 C37 C32 123.5(4) . .
O21 C38 H38A 109.5 . .
O21 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
O21 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
O22 C39 H39A 109.5 . .
O22 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
O22 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
O23 C40 H40A 109.5 . .
O23 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
O23 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C13 O1 C18 117.6(4) . .
C15 O2 C19 117.7(4) . .
C17 O3 C20 117.7(4) . .
C33 O21 C38 118.0(4) . .
C35 O22 C39 118.0(4) . .
C37 O23 C40 117.8(4) . .
C10 Si1 Si3 101.42(9) . .
C10 Si1 Si4 117.41(9) . .
Si3 Si1 Si4 108.68(5) . .
C10 Si1 Si2 109.96(10) . .
Si3 Si1 Si2 107.56(5) . .
Si4 Si1 Si2 111.00(5) . .
C1 Si2 C2 106.5(2) . .
C1 Si2 C3 107.9(2) . .
C2 Si2 C3 107.6(2) . .
C1 Si2 Si1 115.08(15) . .
C2 Si2 Si1 110.41(17) . .
C3 Si2 Si1 109.04(15) . .
C5 Si3 C6 109.5(3) . .
C5 Si3 C4 107.6(2) . .
C6 Si3 C4 107.1(2) . .
C5 Si3 Si1 109.02(16) . .
C6 Si3 Si1 108.28(16) . .
C4 Si3 Si1 115.15(16) . .
C8 Si4 C9 108.9(2) . .
C8 Si4 C7 107.3(2) . .
C9 Si4 C7 108.41(19) . .
C8 Si4 Si1 112.57(15) . .
C9 Si4 Si1 112.42(14) . .
C7 Si4 Si1 107.07(15) . .
C10 Si5 C10 104.71(18) 2_565 .
C10 Si5 C11 108.96(13) 2_565 .
C10 Si5 C11 108.96(13) . .
C10 Si5 C12 109.80(12) 2_565 .
C10 Si5 C12 109.80(12) . .
C11 Si5 C12 114.2(2) . .
C30 Si21 Si24 110.77(11) . .
C30 Si21 Si22 100.70(10) . .
Si24 Si21 Si22 107.69(5) . .
C30 Si21 Si23 117.96(10) . .
Si24 Si21 Si23 110.09(5) . .
Si22 Si21 Si23 108.82(5) . .
C21 Si22 C22 106.9(3) . .
C21 Si22 C23 108.6(3) . .
C22 Si22 C23 108.4(2) . .
C21 Si22 Si21 108.76(18) . .
C22 Si22 Si21 115.46(17) . .
C23 Si22 Si21 108.57(16) . .
C24 Si23 C26 108.6(3) . .
C24 Si23 C25 109.1(2) . .
C26 Si23 C25 106.8(2) . .
C24 Si23 Si21 112.25(17) . .
C26 Si23 Si21 113.45(16) . .
C25 Si23 Si21 106.41(14) . .
C29 Si24 C27 107.0(2) . .
C29 Si24 C28 107.6(2) . .
C27 Si24 C28 107.7(2) . .
C29 Si24 Si21 114.37(17) . .
C27 Si24 Si21 110.76(17) . .
C28 Si24 Si21 109.10(14) . .
C31 Si25 C30 109.42(13) . .
C31 Si25 C30 109.42(13) . 2
C30 Si25 C30 105.22(17) . 2
C31 Si25 C32 113.3(2) . .
C30 Si25 C32 109.56(12) . .
C30 Si25 C32 109.56(12) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 Si2 1.867(5) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 Si2 1.878(5) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 Si2 1.899(4) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 Si3 1.896(4) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 Si3 1.877(4) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 Si3 1.893(5) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 Si4 1.893(4) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 Si4 1.876(4) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 Si4 1.881(4) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 Si5 1.875(3) .
C10 Si1 1.923(3) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 Si5 1.876(5) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C13 1.400(6) .
C12 C17 1.402(6) .
C12 Si5 1.920(4) .
C13 O1 1.354(5) .
C13 C14 1.415(6) .
C14 C15 1.368(6) .
C14 H14 0.9500 .
C15 O2 1.373(6) .
C15 C16 1.385(7) .
C16 C17 1.406(7) .
C16 H16 0.9500 .
C17 O3 1.369(5) .
C18 O1 1.405(7) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 O2 1.430(7) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 O3 1.407(6) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 Si22 1.881(6) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 Si22 1.886(4) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 Si22 1.890(5) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 Si23 1.875(5) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 Si23 1.881(4) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 Si23 1.881(5) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 Si24 1.883(4) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 Si24 1.886(4) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 Si24 1.883(5) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 Si25 1.880(3) .
C30 Si21 1.910(3) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 Si25 1.866(5) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 C33 1.388(6) .
C32 C37 1.425(6) .
C32 Si25 1.899(4) .
C33 O21 1.390(5) .
C33 C34 1.399(6) .
C34 C35 1.390(6) .
C34 H34 0.9500 .
C35 O22 1.378(5) .
C35 C36 1.395(6) .
C36 C37 1.394(6) .
C36 H36 0.9500 .
C37 O23 1.359(5) .
C38 O21 1.393(7) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 O22 1.405(7) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 O23 1.429(5) .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
Si1 Si3 2.3534(12) .
Si1 Si4 2.3577(13) .
Si1 Si2 2.3749(13) .
Si5 C10 1.875(3) 2_565
Si21 Si24 2.3559(13) .
Si21 Si22 2.3593(14) .
Si21 Si23 2.3602(12) .
Si25 C30 1.880(3) 2
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_4
C17 C12 C13 O1 180.0 .
Si5 C12 C13 O1 0.0 .
C17 C12 C13 C14 0.0 .
Si5 C12 C13 C14 180.0 .
O1 C13 C14 C15 180.0 .
C12 C13 C14 C15 0.0 .
C13 C14 C15 O2 180.0 .
C13 C14 C15 C16 0.0 .
C14 C15 C16 C17 0.0 .
O2 C15 C16 C17 180.0 .
C13 C12 C17 O3 180.0 .
Si5 C12 C17 O3 0.0 .
C13 C12 C17 C16 0.0 .
Si5 C12 C17 C16 180.0 .
C15 C16 C17 O3 180.0 .
C15 C16 C17 C12 0.0 .
C37 C32 C33 O21 180.000(1) .
Si25 C32 C33 O21 0.000(1) .
C37 C32 C33 C34 0.000(2) .
Si25 C32 C33 C34 180.000(1) .
C32 C33 C34 C35 0.000(2) .
O21 C33 C34 C35 180.000(1) .
C33 C34 C35 O22 180.000(1) .
C33 C34 C35 C36 0.000(1) .
O22 C35 C36 C37 180.0 .
C34 C35 C36 C37 0.000(1) .
C35 C36 C37 O23 180.0 .
C35 C36 C37 C32 0.000(1) .
C33 C32 C37 O23 180.0 .
Si25 C32 C37 O23 0.000(1) .
C33 C32 C37 C36 0.000(1) .
Si25 C32 C37 C36 180.000(1) .
C12 C13 O1 C18 180.0 .
C14 C13 O1 C18 0.0 .
C14 C15 O2 C19 0.0 .
C16 C15 O2 C19 180.000(1) .
C12 C17 O3 C20 180.0 .
C16 C17 O3 C20 0.0 .
C32 C33 O21 C38 180.000(2) .
C34 C33 O21 C38 0.000(2) .
C34 C35 O22 C39 0.000(1) .
C36 C35 O22 C39 180.0 .
C36 C37 O23 C40 0.0 .
C32 C37 O23 C40 180.0 .
Si5 C10 Si1 Si3 163.29(17) .
Si5 C10 Si1 Si4 45.1(2) .
Si5 C10 Si1 Si2 -83.1(2) .
C10 Si1 Si2 C1 94.98(19) .
Si3 Si1 Si2 C1 -155.39(17) .
Si4 Si1 Si2 C1 -36.62(18) .
C10 Si1 Si2 C2 -144.4(2) .
Si3 Si1 Si2 C2 -34.8(2) .
Si4 Si1 Si2 C2 84.0(2) .
C10 Si1 Si2 C3 -26.40(19) .
Si3 Si1 Si2 C3 83.22(17) .
Si4 Si1 Si2 C3 -158.00(17) .
C10 Si1 Si3 C5 62.2(2) .
Si4 Si1 Si3 C5 -173.45(19) .
Si2 Si1 Si3 C5 -53.2(2) .
C10 Si1 Si3 C6 -56.9(2) .
Si4 Si1 Si3 C6 67.47(19) .
Si2 Si1 Si3 C6 -172.28(19) .
C10 Si1 Si3 C4 -176.7(2) .
Si4 Si1 Si3 C4 -52.39(19) .
Si2 Si1 Si3 C4 67.86(19) .
C10 Si1 Si4 C8 -72.7(2) .
Si3 Si1 Si4 C8 173.03(17) .
Si2 Si1 Si4 C8 54.93(18) .
C10 Si1 Si4 C9 50.67(19) .
Si3 Si1 Si4 C9 -63.59(16) .
Si2 Si1 Si4 C9 178.31(16) .
C10 Si1 Si4 C7 169.62(19) .
Si3 Si1 Si4 C7 55.37(16) .
Si2 Si1 Si4 C7 -62.73(16) .
Si1 C10 Si5 C10 169.72(7) 2_565
Si1 C10 Si5 C11 53.3(2) .
Si1 C10 Si5 C12 -72.5(2) .
C13 C12 Si5 C10 57.30(11) 2_565
C17 C12 Si5 C10 -122.70(11) 2_565
C13 C12 Si5 C10 -57.30(11) .
C17 C12 Si5 C10 122.70(11) .
C13 C12 Si5 C11 180.0 .
C17 C12 Si5 C11 0.0 .
Si25 C30 Si21 Si24 80.9(2) .
Si25 C30 Si21 Si22 -165.36(18) .
Si25 C30 Si21 Si23 -47.2(2) .
C30 Si21 Si22 C21 55.7(3) .
Si24 Si21 Si22 C21 171.8(3) .
Si23 Si21 Si22 C21 -68.9(3) .
C30 Si21 Si22 C22 175.8(2) .
Si24 Si21 Si22 C22 -68.2(2) .
Si23 Si21 Si22 C22 51.1(2) .
C30 Si21 Si22 C23 -62.3(2) .
Si24 Si21 Si22 C23 53.7(2) .
Si23 Si21 Si22 C23 173.0(2) .
C30 Si21 Si23 C24 -52.0(2) .
Si24 Si21 Si23 C24 179.6(2) .
Si22 Si21 Si23 C24 61.7(2) .
C30 Si21 Si23 C26 71.6(2) .
Si24 Si21 Si23 C26 -56.9(2) .
Si22 Si21 Si23 C26 -174.66(19) .
C30 Si21 Si23 C25 -171.28(19) .
Si24 Si21 Si23 C25 60.29(17) .
Si22 Si21 Si23 C25 -57.51(17) .
C30 Si21 Si24 C29 -92.98(18) .
Si22 Si21 Si24 C29 157.79(15) .
Si23 Si21 Si24 C29 39.28(16) .
C30 Si21 Si24 C27 146.1(2) .
Si22 Si21 Si24 C27 36.83(19) .
Si23 Si21 Si24 C27 -81.68(19) .
C30 Si21 Si24 C28 27.63(19) .
Si22 Si21 Si24 C28 -81.61(17) .
Si23 Si21 Si24 C28 159.89(16) .
Si21 C30 Si25 C31 -51.2(3) .
Si21 C30 Si25 C30 -168.68(8) 2
Si21 C30 Si25 C32 73.6(2) .
C33 C32 Si25 C31 180.000(1) .
C37 C32 Si25 C31 0.000(1) .
C33 C32 Si25 C30 57.48(11) .
C37 C32 Si25 C30 -122.52(11) .
C33 C32 Si25 C30 -57.48(11) 2
C37 C32 Si25 C30 122.52(11) 2
