#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:05:55 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180247 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/33/7113341.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_7113341
loop_
_publ_author_name
'Jutzi, Peter'
'Mix, Andreas'
'Neumann, Beate'
'Rummel, Britta'
'Stammler, Hans-Georg'
_publ_section_title
;
 Novel pi-complexes of divalent silicon: mixed substituted neutral
 sandwich compounds and the half-sandwich cation (iPr5C5)Si+.
;
_journal_issue                   33
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3519
_journal_page_last               3521
_journal_paper_doi               10.1039/b607236d
_journal_year                    2006
_chemical_formula_moiety         'C30 H50 Si, 0.5 C6 H14'
_chemical_formula_sum            'C33 H57 Si'
_chemical_formula_weight         481.88
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.747(5)
_cell_angle_beta                 93.344(4)
_cell_angle_gamma                110.354(5)
_cell_formula_units_Z            2
_cell_length_a                   9.8950(10)
_cell_length_b                   9.9430(8)
_cell_length_c                   18.0340(18)
_cell_measurement_reflns_used    5097
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.028
_cell_measurement_theta_min      2.910
_cell_volume                     1578.0(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'KappaCCD '
_computing_data_reduction
'Denzo and Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL-PLUS (1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_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  0.106
_diffrn_reflns_av_sigmaI/netI    0.0842
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22941
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    0.092
_exptl_absorpt_correction_T_max  0.9945
_exptl_absorpt_correction_T_min  0.9730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Denzo and Scalepack (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.014
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             538
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.287
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     279
_refine_ls_number_reflns         5509
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.1260
_refine_ls_R_factor_gt           0.0689
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0629P)²+1.2587P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1468
_refine_ls_wR_factor_ref         0.1738
_reflns_number_gt                3365
_reflns_number_total             5509
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b607236d.txt
_cod_data_source_block           compound3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_database_code               7113341
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.70880(9) 0.07027(10) 0.80088(5) 0.0251(2) Uani 1 1 d . . .
C1A C 0.9485(4) 0.2347(5) 0.7810(2) 0.0215(16) Uiso 0.621(5) 1 d PG A 1
C2A C 0.9062(5) 0.0961(5) 0.7196(3) 0.0233(16) Uiso 0.621(5) 1 d PG A 1
C3A C 0.7803(5) 0.0798(4) 0.6705(2) 0.0218(15) Uiso 0.621(5) 1 d PG A 1
C4A C 0.7447(4) 0.2082(6) 0.7016(3) 0.0209(16) Uiso 0.621(5) 1 d PG A 1
C5A C 0.8487(6) 0.3040(4) 0.7699(3) 0.0200(15) Uiso 0.621(5) 1 d PG A 1
C6A C 1.0832(5) 0.3035(6) 0.8456(3) 0.0270(12) Uiso 0.621(5) 1 d P A 1
H6AA H 1.0766 0.3988 0.8786 0.032 Uiso 0.621(5) 1 calc PR A 1
C9A C 0.9906(6) -0.0089(6) 0.7047(3) 0.0288(13) Uiso 0.621(5) 1 d P A 1
H9AA H 1.0736 0.0392 0.7497 0.035 Uiso 0.621(5) 1 calc PR A 1
C12A C 0.7039(5) -0.0491(6) 0.5951(3) 0.0268(12) Uiso 0.621(5) 1 d P A 1
H12A H 0.7603 -0.1163 0.5907 0.032 Uiso 0.621(5) 1 calc PR A 1
C15A C 0.6223(5) 0.2415(6) 0.6642(3) 0.0261(12) Uiso 0.621(5) 1 d P A 1
H15A H 0.5721 0.1509 0.6172 0.031 Uiso 0.621(5) 1 calc PR A 1
C18A C 0.8592(6) 0.4596(5) 0.8182(3) 0.0271(12) Uiso 0.621(5) 1 d P A 1
H18A H 0.7748 0.4732 0.7923 0.033 Uiso 0.621(5) 1 calc PR A 1
C1B C 0.9544(6) 0.2019(9) 0.7702(4) 0.021(3) Uiso 0.379(5) 1 d PG A 2
C2B C 0.8778(9) 0.0779(7) 0.7023(5) 0.021(3) Uiso 0.379(5) 1 d PG A 2
C3B C 0.7575(7) 0.1036(8) 0.6708(3) 0.023(3) Uiso 0.379(5) 1 d PG A 2
C4B C 0.7596(7) 0.2435(9) 0.7193(5) 0.021(3) Uiso 0.379(5) 1 d PG A 2
C5B C 0.8813(9) 0.3043(6) 0.7807(4) 0.027(3) Uiso 0.379(5) 1 d PG A 2
C6B C 1.0970(8) 0.2304(10) 0.8200(5) 0.027(2) Uiso 0.379(5) 1 d P A 2
H6BA H 1.1191 0.1402 0.7932 0.032 Uiso 0.379(5) 1 calc PR A 2
C9B C 0.9247(10) -0.0518(9) 0.6660(5) 0.027(2) Uiso 0.379(5) 1 d P A 2
H9BA H 0.8490 -0.1131 0.6181 0.032 Uiso 0.379(5) 1 calc PR A 2
C12B C 0.6508(9) 0.0033(9) 0.5947(5) 0.029(2) Uiso 0.379(5) 1 d P A 2
H12B H 0.5836 0.0572 0.5903 0.034 Uiso 0.379(5) 1 calc PR A 2
C15B C 0.6554(8) 0.3204(10) 0.7035(5) 0.0252(19) Uiso 0.379(5) 1 d P A 2
H15B H 0.6921 0.4175 0.7475 0.030 Uiso 0.379(5) 1 calc PR A 2
C18B C 0.9304(10) 0.4589(9) 0.8439(5) 0.029(2) Uiso 0.379(5) 1 d P A 2
H18B H 1.0185 0.4631 0.8760 0.035 Uiso 0.379(5) 1 calc PR A 2
C7 C 1.0849(4) 0.2166(4) 0.90071(19) 0.0390(8) Uani 1 1 d . . .
H7A H 0.9905 0.1879 0.9188 0.058 Uiso 0.621(5) 1 calc PR A 1
H7B H 1.1631 0.2792 0.9456 0.058 Uiso 0.621(5) 1 calc PR A 1
H7C H 1.1020 0.1255 0.8741 0.058 Uiso 0.621(5) 1 calc PR A 1
H7D H 1.1817 0.2368 0.9281 0.058 Uiso 0.379(5) 1 calc PR A 2
H7E H 1.0186 0.1142 0.8966 0.058 Uiso 0.379(5) 1 calc PR A 2
H7F H 1.0463 0.2898 0.9299 0.058 Uiso 0.379(5) 1 calc PR A 2
C8 C 1.2252(3) 0.3567(4) 0.8131(2) 0.0376(8) Uani 1 1 d . . .
H8A H 1.3088 0.4008 0.8558 0.056 Uiso 0.621(5) 1 calc PR A 1
H8B H 1.2242 0.4328 0.7883 0.056 Uiso 0.621(5) 1 calc PR A 1
H8C H 1.2336 0.2705 0.7743 0.056 Uiso 0.621(5) 1 calc PR A 1
H8D H 1.2216 0.3543 0.7583 0.056 Uiso 0.379(5) 1 calc PR A 2
H8E H 1.3153 0.3464 0.8312 0.056 Uiso 0.379(5) 1 calc PR A 2
H8F H 1.2235 0.4528 0.8451 0.056 Uiso 0.379(5) 1 calc PR A 2
C10 C 0.9156(4) -0.1620(4) 0.7097(2) 0.0407(9) Uani 1 1 d . . .
H10A H 0.8715 -0.1556 0.7572 0.061 Uiso 0.621(5) 1 calc PR A 1
H10B H 0.9864 -0.2102 0.7115 0.061 Uiso 0.621(5) 1 calc PR A 1
H10C H 0.8390 -0.2221 0.6638 0.061 Uiso 0.621(5) 1 calc PR A 1
H10D H 0.8219 -0.1891 0.7286 0.061 Uiso 0.379(5) 1 calc PR A 2
H10E H 0.9960 -0.1163 0.7542 0.061 Uiso 0.379(5) 1 calc PR A 2
H10F H 0.9229 -0.2530 0.6748 0.061 Uiso 0.379(5) 1 calc PR A 2
C11 C 1.0662(3) -0.0021(4) 0.63322(19) 0.0344(8) Uani 1 1 d . . .
H11A H 1.1196 -0.0701 0.6256 0.052 Uiso 0.621(5) 1 calc PR A 1
H11B H 1.1349 0.1014 0.6416 0.052 Uiso 0.621(5) 1 calc PR A 1
H11C H 0.9926 -0.0333 0.5867 0.052 Uiso 0.621(5) 1 calc PR A 1
H11D H 1.0908 -0.0901 0.6100 0.052 Uiso 0.379(5) 1 calc PR A 2
H11E H 1.1455 0.0716 0.6755 0.052 Uiso 0.379(5) 1 calc PR A 2
H11F H 1.0533 0.0440 0.5931 0.052 Uiso 0.379(5) 1 calc PR A 2
C13 C 0.5505(4) -0.1486(4) 0.5955(2) 0.0388(8) Uani 1 1 d . . .
H13A H 0.5472 -0.1785 0.6431 0.058 Uiso 0.621(5) 1 calc PR A 1
H13B H 0.5182 -0.2390 0.5496 0.058 Uiso 0.621(5) 1 calc PR A 1
H13C H 0.4858 -0.0936 0.5941 0.058 Uiso 0.621(5) 1 calc PR A 1
H13D H 0.4869 -0.2035 0.5445 0.058 Uiso 0.379(5) 1 calc PR A 2
H13E H 0.4905 -0.1363 0.6363 0.058 Uiso 0.379(5) 1 calc PR A 2
H13F H 0.6084 -0.2057 0.6063 0.058 Uiso 0.379(5) 1 calc PR A 2
C14 C 0.7226(4) 0.0036(4) 0.52271(18) 0.0352(8) Uani 1 1 d . . .
H14A H 0.6729 -0.0826 0.4757 0.053 Uiso 0.621(5) 1 calc PR A 1
H14B H 0.8270 0.0471 0.5202 0.053 Uiso 0.621(5) 1 calc PR A 1
H14C H 0.6801 0.0801 0.5260 0.053 Uiso 0.621(5) 1 calc PR A 1
H14D H 0.6496 -0.0611 0.4759 0.053 Uiso 0.379(5) 1 calc PR A 2
H14E H 0.8009 -0.0348 0.5257 0.053 Uiso 0.379(5) 1 calc PR A 2
H14F H 0.7638 0.1069 0.5201 0.053 Uiso 0.379(5) 1 calc PR A 2
C16 C 0.5035(3) 0.2510(4) 0.7113(2) 0.0365(8) Uani 1 1 d . . .
H16A H 0.4695 0.1634 0.7303 0.055 Uiso 0.621(5) 1 calc PR A 1
H16B H 0.4217 0.2520 0.6784 0.055 Uiso 0.621(5) 1 calc PR A 1
H16C H 0.5420 0.3438 0.7559 0.055 Uiso 0.621(5) 1 calc PR A 1
H16D H 0.4991 0.2221 0.7592 0.055 Uiso 0.379(5) 1 calc PR A 2
H16E H 0.4534 0.1610 0.6661 0.055 Uiso 0.379(5) 1 calc PR A 2
H16F H 0.4557 0.3231 0.7140 0.055 Uiso 0.379(5) 1 calc PR A 2
C17 C 0.6825(4) 0.3727(4) 0.63087(19) 0.0354(8) Uani 1 1 d . . .
H17A H 0.6011 0.3900 0.6069 0.053 Uiso 0.621(5) 1 calc PR A 1
H17B H 0.7413 0.3481 0.5913 0.053 Uiso 0.621(5) 1 calc PR A 1
H17C H 0.7437 0.4642 0.6731 0.053 Uiso 0.621(5) 1 calc PR A 1
H17D H 0.6151 0.4215 0.6221 0.053 Uiso 0.379(5) 1 calc PR A 2
H17E H 0.6662 0.2853 0.5851 0.053 Uiso 0.379(5) 1 calc PR A 2
H17F H 0.7835 0.4447 0.6392 0.053 Uiso 0.379(5) 1 calc PR A 2
C19 C 0.8330(4) 0.4761(4) 0.90126(19) 0.0384(8) Uani 1 1 d . . .
H19A H 0.7451 0.3915 0.9018 0.058 Uiso 0.621(5) 1 calc PR A 1
H19B H 0.8194 0.5712 0.9233 0.058 Uiso 0.621(5) 1 calc PR A 1
H19C H 0.9174 0.4764 0.9327 0.058 Uiso 0.621(5) 1 calc PR A 1
H19D H 0.8752 0.5782 0.9387 0.058 Uiso 0.379(5) 1 calc PR A 2
H19E H 0.8216 0.4020 0.9292 0.058 Uiso 0.379(5) 1 calc PR A 2
H19F H 0.7371 0.4597 0.8741 0.058 Uiso 0.379(5) 1 calc PR A 2
C20 C 0.9925(4) 0.5857(3) 0.8102(2) 0.0383(8) Uani 1 1 d . . .
H20A H 1.0021 0.5677 0.7549 0.057 Uiso 0.621(5) 1 calc PR A 1
H20B H 1.0802 0.5884 0.8398 0.057 Uiso 0.621(5) 1 calc PR A 1
H20C H 0.9812 0.6824 0.8307 0.057 Uiso 0.621(5) 1 calc PR A 1
H20D H 1.0230 0.6825 0.8518 0.057 Uiso 0.379(5) 1 calc PR A 2
H20E H 0.9178 0.5803 0.7701 0.057 Uiso 0.379(5) 1 calc PR A 2
H20F H 1.0771 0.5771 0.7867 0.057 Uiso 0.379(5) 1 calc PR A 2
C21 C 0.5545(4) -0.1636(3) 0.82619(19) 0.0335(8) Uani 1 1 d . A .
C22 C 0.4666(3) -0.0786(4) 0.82547(19) 0.0337(8) Uani 1 1 d . A .
C23 C 0.5271(3) 0.0552(4) 0.89060(19) 0.0316(8) Uani 1 1 d . A .
C24 C 0.6513(3) 0.0499(3) 0.93127(18) 0.0298(7) Uani 1 1 d . A .
C25 C 0.6692(3) -0.0842(4) 0.89090(19) 0.0323(8) Uani 1 1 d . A .
C26 C 0.5261(5) -0.3188(4) 0.7702(2) 0.0613(12) Uani 1 1 d . . .
H26A H 0.4992 -0.3935 0.7982 0.092 Uiso 1 1 calc R A .
H26B H 0.6146 -0.3183 0.7484 0.092 Uiso 1 1 calc R . .
H26C H 0.4460 -0.3449 0.7277 0.092 Uiso 1 1 calc R . .
C27 C 0.3276(4) -0.1224(5) 0.7700(2) 0.0579(12) Uani 1 1 d . . .
H27A H 0.3229 -0.2018 0.7226 0.087 Uiso 1 1 calc R A .
H27B H 0.3262 -0.0341 0.7562 0.087 Uiso 1 1 calc R . .
H27C H 0.2432 -0.1599 0.7951 0.087 Uiso 1 1 calc R . .
C28 C 0.4616(4) 0.1720(4) 0.9173(2) 0.0511(10) Uani 1 1 d . . .
H28A H 0.3972 0.1451 0.9547 0.077 Uiso 1 1 calc R A .
H28B H 0.4050 0.1762 0.8722 0.077 Uiso 1 1 calc R . .
H28C H 0.5399 0.2709 0.9426 0.077 Uiso 1 1 calc R . .
C29 C 0.7426(4) 0.1643(4) 1.0072(2) 0.0471(9) Uani 1 1 d . . .
H29A H 0.6869 0.1538 1.0499 0.071 Uiso 1 1 calc R A .
H29B H 0.7678 0.2663 1.0034 0.071 Uiso 1 1 calc R . .
H29C H 0.8324 0.1468 1.0177 0.071 Uiso 1 1 calc R . .
C30 C 0.7808(4) -0.1414(5) 0.9152(2) 0.0540(11) Uani 1 1 d . . .
H30A H 0.8533 -0.0623 0.9590 0.081 Uiso 1 1 calc R A .
H30B H 0.8299 -0.1687 0.8711 0.081 Uiso 1 1 calc R . .
H30C H 0.7323 -0.2304 0.9314 0.081 Uiso 1 1 calc R . .
C31A C 0.2474(6) 0.4059(6) 0.5688(3) 0.0881(16) Uiso 0.740(9) 1 d PD B 1
H31A H 0.3241 0.4535 0.6152 0.132 Uiso 0.740(9) 1 calc PR B 1
H31B H 0.2923 0.3933 0.5217 0.132 Uiso 0.740(9) 1 calc PR B 1
H31C H 0.1819 0.3069 0.5701 0.132 Uiso 0.740(9) 1 calc PR B 1
C31B C 0.2474(6) 0.4059(6) 0.5688(3) 0.0881(16) Uiso 0.260(9) 1 d PD B 2
H31D H 0.2651 0.3120 0.5515 0.132 Uiso 0.260(9) 1 calc PR B 2
H31E H 0.2280 0.4229 0.6225 0.132 Uiso 0.260(9) 1 calc PR B 2
H31F H 0.3338 0.4905 0.5668 0.132 Uiso 0.260(9) 1 calc PR B 2
C32A C 0.1625(6) 0.5028(7) 0.5679(4) 0.067(2) Uiso 0.740(9) 1 d PD B 1
H32A H 0.2317 0.6033 0.5689 0.081 Uiso 0.740(9) 1 calc PR B 1
H32B H 0.1214 0.5168 0.6169 0.081 Uiso 0.740(9) 1 calc PR B 1
C32B C 0.1199(16) 0.3940(18) 0.5169(10) 0.066(6) Uiso 0.260(9) 1 d PD B 2
H32C H 0.0378 0.3012 0.5159 0.079 Uiso 0.260(9) 1 calc PR B 2
H32D H 0.1438 0.3780 0.4635 0.079 Uiso 0.260(9) 1 calc PR B 2
C33A C 0.0395(6) 0.4491(7) 0.5008(3) 0.0458(15) Uiso 0.740(9) 1 d PD . 1
H33A H 0.0795 0.4306 0.4516 0.055 Uiso 0.740(9) 1 calc PR B 1
H33B H -0.0324 0.3510 0.5013 0.055 Uiso 0.740(9) 1 calc PR B 1
C33B C 0.0633(18) 0.5199(19) 0.5330(11) 0.057(5) Uiso 0.260(9) 1 d PD . 2
H33C H 0.1427 0.6158 0.5353 0.068 Uiso 0.260(9) 1 calc PR B 2
H33D H 0.0286 0.5330 0.5838 0.068 Uiso 0.260(9) 1 calc PR 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'
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
C21 Si1 C22 33.06(11) . .
C21 Si1 C1A 150.10(14) . .
C22 Si1 C1A 176.15(15) . .
C21 Si1 C23 54.95(11) . .
C22 Si1 C23 33.34(11) . .
C1A Si1 C23 143.36(14) . .
C21 Si1 C25 33.10(11) . .
C22 Si1 C25 55.04(10) . .
C1A Si1 C25 126.21(12) . .
C23 Si1 C25 55.03(10) . .
C21 Si1 C5A 176.08(15) . .
C22 Si1 C5A 143.77(13) . .
C1A Si1 C5A 33.23(5) . .
C23 Si1 C5A 123.96(11) . .
C25 Si1 C5A 150.35(14) . .
C21 Si1 C2A 126.47(12) . .
C22 Si1 C2A 150.27(15) . .
C1A Si1 C2A 33.18(6) . .
C23 Si1 C2A 175.64(15) . .
C25 Si1 C2A 123.37(11) . .
C5A Si1 C2A 54.94(7) . .
C21 Si1 C24 54.62(11) . .
C22 Si1 C24 54.90(11) . .
C1A Si1 C24 123.68(12) . .
C23 Si1 C24 33.11(10) . .
C25 Si1 C24 32.94(10) . .
C5A Si1 C24 127.02(12) . .
C2A Si1 C24 143.18(13) . .
C21 Si1 C5B 175.5(2) . .
C22 Si1 C5B 150.8(2) . .
C1A Si1 C5B 25.89(18) . .
C23 Si1 C5B 126.66(17) . .
C25 Si1 C5B 143.1(2) . .
C5A Si1 C5B 8.43(18) . .
C2A Si1 C5B 51.55(17) . .
C24 Si1 C5B 123.83(16) . .
C21 Si1 C4B 150.9(2) . .
C22 Si1 C4B 127.02(16) . .
C1A Si1 C4B 51.42(16) . .
C23 Si1 C4B 123.89(15) . .
C25 Si1 C4B 175.5(2) . .
C5A Si1 C4B 25.49(18) . .
C2A Si1 C4B 57.33(16) . .
C24 Si1 C4B 143.5(2) . .
C5B Si1 C4B 33.04(9) . .
C21 Si1 C1B 143.34(19) . .
C22 Si1 C1B 175.6(2) . .
C1A Si1 C1B 8.20(19) . .
C23 Si1 C1B 150.4(2) . .
C25 Si1 C1B 123.59(15) . .
C5A Si1 C1B 39.65(17) . .
C2A Si1 C1B 25.81(18) . .
C24 Si1 C1B 126.75(16) . .
C5B Si1 C1B 33.01(9) . .
C4B Si1 C1B 54.70(11) . .
C21 Si1 C4A 143.69(14) . .
C22 Si1 C4A 124.21(11) . .
C1A Si1 C4A 54.88(7) . .
C23 Si1 C4A 127.22(12) . .
C25 Si1 C4A 175.66(15) . .
C5A Si1 C4A 33.04(5) . .
C2A Si1 C4A 54.71(7) . .
C24 Si1 C4A 151.08(14) . .
C5B Si1 C4A 39.90(17) . .
C4B Si1 C4A 8.71(18) . .
C1B Si1 C4A 56.78(16) . .
C5A C1A C2A 108.0 . .
C5A C1A C6A 125.4(4) . .
C2A C1A C6A 126.5(4) . .
C5A C1A Si1 73.70(17) . .
C2A C1A Si1 73.97(17) . .
C6A C1A Si1 121.0(3) . .
C3A C2A C1A 108.0 . .
C3A C2A C9A 126.0(4) . .
C1A C2A C9A 125.7(4) . .
C3A C2A Si1 74.17(17) . .
C1A C2A Si1 72.85(17) . .
C9A C2A Si1 123.4(3) . .
C2A C3A C4A 108.0 . .
C2A C3A C12A 125.3(4) . .
C4A C3A C12A 126.6(4) . .
C2A C3A Si1 72.86(17) . .
C4A C3A Si1 73.41(17) . .
C12A C3A Si1 122.4(3) . .
C5A C4A C3A 108.0 . .
C5A C4A C15A 126.4(4) . .
C3A C4A C15A 125.5(4) . .
C5A C4A Si1 72.73(17) . .
C3A C4A Si1 73.71(17) . .
C15A C4A Si1 122.6(3) . .
C4A C5A C1A 108.0 . .
C4A C5A C18A 125.8(4) . .
C1A C5A C18A 126.0(4) . .
C4A C5A Si1 74.23(17) . .
C1A C5A Si1 73.07(17) . .
C18A C5A Si1 122.7(3) . .
C7 C6A C8 114.9(4) . .
C7 C6A C1A 115.9(4) . .
C8 C6A C1A 111.6(4) . .
C7 C6A H6AA 104.3 . .
C8 C6A H6AA 104.3 . .
C1A C6A H6AA 104.3 . .
C10 C9A C2A 116.8(4) . .
C10 C9A C11 115.0(4) . .
C2A C9A C11 111.7(4) . .
C10 C9A H9AA 103.8 . .
C2A C9A H9AA 103.8 . .
C11 C9A H9AA 103.8 . .
C13 C12A C3A 115.6(4) . .
C13 C12A C14 114.1(4) . .
C3A C12A C14 112.2(4) . .
C13 C12A H12A 104.5 . .
C3A C12A H12A 104.5 . .
C14 C12A H12A 104.5 . .
C16 C15A C4A 116.1(4) . .
C16 C15A C17 113.8(4) . .
C4A C15A C17 111.8(4) . .
C16 C15A H15A 104.5 . .
C4A C15A H15A 104.5 . .
C17 C15A H15A 104.5 . .
C19 C18A C20 114.1(4) . .
C19 C18A C5A 115.9(4) . .
C20 C18A C5A 112.8(4) . .
C19 C18A H18A 104.1 . .
C20 C18A H18A 104.1 . .
C5A C18A H18A 104.1 . .
C5B C1B C2B 108.0 . .
C5B C1B C6B 124.7(7) . .
C2B C1B C6B 127.1(7) . .
C5B C1B Si1 73.2(3) . .
C2B C1B Si1 73.8(3) . .
C6B C1B Si1 122.8(5) . .
C3B C2B C1B 108.0 . .
C3B C2B C9B 126.1(7) . .
C1B C2B C9B 125.7(7) . .
C3B C2B Si1 73.5(3) . .
C1B C2B Si1 73.3(3) . .
C9B C2B Si1 123.2(5) . .
C2B C3B C4B 108.0 . .
C2B C3B C12B 125.8(7) . .
C4B C3B C12B 126.1(7) . .
C2B C3B Si1 73.6(3) . .
C4B C3B Si1 73.2(3) . .
C12B C3B Si1 122.3(5) . .
C5B C4B C3B 108.0 . .
C5B C4B C15B 126.4(7) . .
C3B C4B C15B 125.4(7) . .
C5B C4B Si1 73.4(3) . .
C3B C4B Si1 73.8(3) . .
C15B C4B Si1 122.4(5) . .
C1B C5B C4B 108.0 . .
C1B C5B C18B 126.3(7) . .
C4B C5B C18B 125.6(7) . .
C1B C5B Si1 73.7(3) . .
C4B C5B Si1 73.6(3) . .
C18B C5B Si1 121.7(5) . .
C8 C6B C7 116.7(6) . .
C8 C6B C1B 114.6(6) . .
C7 C6B C1B 115.5(6) . .
C8 C6B H6BA 102.3 . .
C7 C6B H6BA 102.3 . .
C1B C6B H6BA 102.3 . .
C10 C9B C2B 117.5(6) . .
C10 C9B C11 114.1(5) . .
C2B C9B C11 112.9(6) . .
C10 C9B H9BA 103.3 . .
C2B C9B H9BA 103.3 . .
C11 C9B H9BA 103.3 . .
C13 C12B C14 115.1(6) . .
C13 C12B C3B 115.8(6) . .
C14 C12B C3B 112.9(6) . .
C13 C12B H12B 103.7 . .
C14 C12B H12B 103.7 . .
C3B C12B H12B 103.7 . .
C16 C15B C4B 117.6(6) . .
C16 C15B C17 116.4(5) . .
C4B C15B C17 110.9(6) . .
C16 C15B H15B 103.1 . .
C4B C15B H15B 103.1 . .
C17 C15B H15B 103.1 . .
C19 C18B C20 117.4(6) . .
C19 C18B C5B 116.5(6) . .
C20 C18B C5B 111.4(6) . .
C19 C18B H18B 103.0 . .
C20 C18B H18B 103.0 . .
C5B C18B H18B 103.0 . .
C6A C7 C6B 31.3(3) . .
C6A C7 H7A 109.5 . .
C6B C7 H7A 121.8 . .
C6A C7 H7B 109.5 . .
C6B C7 H7B 122.2 . .
H7A C7 H7B 109.5 . .
C6A C7 H7C 109.5 . .
C6B C7 H7C 78.1 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C6A C7 H7D 115.5 . .
C6B C7 H7D 109.5 . .
H7A C7 H7D 128.7 . .
H7B C7 H7D 32.4 . .
H7C C7 H7D 77.8 . .
C6A C7 H7E 128.2 . .
C6B C7 H7E 109.5 . .
H7A C7 H7E 53.1 . .
H7B C7 H7E 122.3 . .
H7C C7 H7E 56.4 . .
H7D C7 H7E 109.5 . .
C6A C7 H7F 78.8 . .
C6B C7 H7F 109.5 . .
H7A C7 H7F 56.5 . .
H7B C7 H7F 77.0 . .
H7C C7 H7F 165.9 . .
H7D C7 H7F 109.5 . .
H7E C7 H7F 109.5 . .
C6B C8 C6A 31.0(3) . .
C6B C8 H8A 116.6 . .
C6A C8 H8A 109.5 . .
C6B C8 H8B 127.0 . .
C6A C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C6B C8 H8C 78.9 . .
C6A C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C6B C8 H8D 109.5 . .
C6A C8 H8D 120.1 . .
H8A C8 H8D 130.0 . .
H8B C8 H8D 48.9 . .
H8C C8 H8D 60.9 . .
C6B C8 H8E 109.5 . .
C6A C8 H8E 123.7 . .
H8A C8 H8E 37.2 . .
H8B C8 H8E 123.1 . .
H8C C8 H8E 72.3 . .
H8D C8 H8E 109.5 . .
C6B C8 H8F 109.5 . .
C6A C8 H8F 78.5 . .
H8A C8 H8F 73.0 . .
H8B C8 H8F 60.6 . .
H8C C8 H8F 169.5 . .
H8D C8 H8F 109.5 . .
H8E C8 H8F 109.5 . .
C9A C10 C9B 32.3(3) . .
C9A C10 H10A 109.5 . .
C9B C10 H10A 120.5 . .
C9A C10 H10B 109.5 . .
C9B C10 H10B 124.0 . .
H10A C10 H10B 109.5 . .
C9A C10 H10C 109.5 . .
C9B C10 H10C 77.2 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9A C10 H10D 120.6 . .
C9B C10 H10D 109.5 . .
H10A C10 H10D 36.7 . .
H10B C10 H10D 125.9 . .
H10C C10 H10D 72.9 . .
C9A C10 H10E 77.2 . .
C9B C10 H10E 109.5 . .
H10A C10 H10E 72.9 . .
H10B C10 H10E 61.9 . .
H10C C10 H10E 171.0 . .
H10D C10 H10E 109.5 . .
C9A C10 H10F 123.9 . .
C9B C10 H10F 109.5 . .
H10A C10 H10F 126.0 . .
H10B C10 H10F 47.6 . .
H10C C10 H10F 61.9 . .
H10D C10 H10F 109.5 . .
H10E C10 H10F 109.5 . .
C9B C11 C9A 31.4(3) . .
C9B C11 H11A 116.4 . .
C9A C11 H11A 109.5 . .
C9B C11 H11B 127.4 . .
C9A C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9B C11 H11C 78.6 . .
C9A C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9B C11 H11D 109.5 . .
C9A C11 H11D 114.5 . .
H11A C11 H11D 20.4 . .
H11B C11 H11D 122.2 . .
H11C C11 H11D 89.4 . .
C9B C11 H11E 109.5 . .
C9A C11 H11E 79.0 . .
H11A C11 H11E 89.1 . .
H11B C11 H11E 45.9 . .
H11C C11 H11E 154.4 . .
H11D C11 H11E 109.5 . .
C9B C11 H11F 109.5 . .
C9A C11 H11F 129.1 . .
H11A C11 H11F 120.5 . .
H11B C11 H11F 63.6 . .
H11C C11 H11F 46.1 . .
H11D C11 H11F 109.5 . .
H11E C11 H11F 109.5 . .
C12B C13 C12A 33.4(3) . .
C12B C13 H13A 122.0 . .
C12A C13 H13A 109.5 . .
C12B C13 H13B 123.1 . .
C12A C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12B C13 H13C 76.1 . .
C12A C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12B C13 H13D 109.5 . .
C12A C13 H13D 116.6 . .
H13A C13 H13D 128.3 . .
H13B C13 H13D 33.5 . .
H13C C13 H13D 76.5 . .
C12B C13 H13E 109.5 . .
C12A C13 H13E 128.2 . .
H13A C13 H13E 50.1 . .
H13B C13 H13E 122.0 . .
H13C C13 H13E 59.5 . .
H13D C13 H13E 109.5 . .
C12B C13 H13F 109.5 . .
C12A C13 H13F 76.6 . .
H13A C13 H13F 59.5 . .
H13B C13 H13F 76.0 . .
H13C C13 H13F 169.0 . .
H13D C13 H13F 109.5 . .
H13E C13 H13F 109.5 . .
C12B C14 C12A 32.8(3) . .
C12B C14 H14A 116.3 . .
C12A C14 H14A 109.5 . .
C12B C14 H14B 128.2 . .
C12A C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12B C14 H14C 77.3 . .
C12A C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12B C14 H14D 109.5 . .
C12A C14 H14D 115.7 . .
H14A C14 H14D 21.5 . .
H14B C14 H14D 121.8 . .
H14C C14 H14D 88.2 . .
C12B C14 H14E 109.5 . .
C12A C14 H14E 77.4 . .
H14A C14 H14E 88.2 . .
H14B C14 H14E 48.2 . .
H14C C14 H14E 156.5 . .
H14D C14 H14E 109.5 . .
C12B C14 H14F 109.5 . .
C12A C14 H14F 128.7 . .
H14A C14 H14F 121.3 . .
H14B C14 H14F 61.4 . .
H14C C14 H14F 48.2 . .
H14D C14 H14F 109.5 . .
H14E C14 H14F 109.5 . .
C15B C16 C15A 33.3(3) . .
C15B C16 H16A 121.8 . .
C15A C16 H16A 109.5 . .
C15B C16 H16B 123.2 . .
C15A C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15B C16 H16C 76.2 . .
C15A C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15B C16 H16D 109.5 . .
C15A C16 H16D 120.5 . .
H16A C16 H16D 37.4 . .
H16B C16 H16D 126.4 . .
H16C C16 H16D 72.2 . .
C15B C16 H16E 109.5 . .
C15A C16 H16E 76.3 . .
H16A C16 H16E 72.1 . .
H16B C16 H16E 63.5 . .
H16C C16 H16E 172.5 . .
H16D C16 H16E 109.5 . .
C15B C16 H16F 109.5 . .
C15A C16 H16F 124.5 . .
H16A C16 H16F 125.1 . .
H16B C16 H16F 46.0 . .
H16C C16 H16F 63.5 . .
H16D C16 H16F 109.5 . .
H16E C16 H16F 109.5 . .
C15A C17 C15B 32.0(3) . .
C15A C17 H17A 109.5 . .
C15B C17 H17A 114.9 . .
C15A C17 H17B 109.5 . .
C15B C17 H17B 129.0 . .
H17A C17 H17B 109.5 . .
C15A C17 H17C 109.5 . .
C15B C17 H17C 78.3 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C15A C17 H17D 115.7 . .
C15B C17 H17D 109.5 . .
H17A C17 H17D 19.6 . .
H17B C17 H17D 120.5 . .
H17C C17 H17D 90.1 . .
C15A C17 H17E 78.1 . .
C15B C17 H17E 109.5 . .
H17A C17 H17E 90.2 . .
H17B C17 H17E 45.9 . .
H17C C17 H17E 153.9 . .
H17D C17 H17E 109.5 . .
C15A C17 H17F 128.3 . .
C15B C17 H17F 109.5 . .
H17A C17 H17F 121.2 . .
H17B C17 H17F 63.8 . .
H17C C17 H17F 45.8 . .
H17D C17 H17F 109.5 . .
H17E C17 H17F 109.5 . .
C18B C19 C18A 32.0(3) . .
C18B C19 H19A 121.9 . .
C18A C19 H19A 109.5 . .
C18B C19 H19B 122.5 . .
C18A C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18B C19 H19C 77.4 . .
C18A C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18B C19 H19D 109.5 . .
C18A C19 H19D 116.8 . .
H19A C19 H19D 128.4 . .
H19B C19 H19D 34.2 . .
H19C C19 H19D 75.8 . .
C18B C19 H19E 109.5 . .
C18A C19 H19E 127.3 . .
H19A C19 H19E 50.6 . .
H19B C19 H19E 123.0 . .
H19C C19 H19E 58.9 . .
H19D C19 H19E 109.5 . .
C18B C19 H19F 109.5 . .
C18A C19 H19F 77.9 . .
H19A C19 H19F 59.0 . .
H19B C19 H19F 75.2 . .
H19C C19 H19F 168.3 . .
H19D C19 H19F 109.5 . .
H19E C19 H19F 109.5 . .
C18B C20 C18A 31.7(3) . .
C18B C20 H20A 122.3 . .
C18A C20 H20A 109.5 . .
C18B C20 H20B 77.8 . .
C18A C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C18B C20 H20C 121.9 . .
C18A C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C18B C20 H20D 109.5 . .
C18A C20 H20D 116.0 . .
H20A C20 H20D 128.2 . .
H20B C20 H20D 77.8 . .
H20C C20 H20D 32.3 . .
C18B C20 H20E 109.5 . .
C18A C20 H20E 78.4 . .
H20A C20 H20E 56.8 . .
H20B C20 H20E 166.2 . .
H20C C20 H20E 77.1 . .
H20D C20 H20E 109.5 . .
C18B C20 H20F 109.5 . .
C18A C20 H20F 127.9 . .
H20A C20 H20F 52.8 . .
H20B C20 H20F 56.7 . .
H20C C20 H20F 122.6 . .
H20D C20 H20F 109.5 . .
H20E C20 H20F 109.5 . .
C22 C21 C25 108.6(3) . .
C22 C21 C26 126.0(3) . .
C25 C21 C26 125.4(3) . .
C22 C21 Si1 73.57(17) . .
C25 C21 Si1 73.63(17) . .
C26 C21 Si1 121.8(2) . .
C21 C22 C23 107.7(3) . .
C21 C22 C27 127.4(3) . .
C23 C22 C27 124.8(3) . .
C21 C22 Si1 73.37(18) . .
C23 C22 Si1 73.41(17) . .
C27 C22 Si1 121.9(2) . .
C24 C23 C22 107.7(3) . .
C24 C23 C28 125.7(3) . .
C22 C23 C28 126.3(3) . .
C24 C23 Si1 74.01(17) . .
C22 C23 Si1 73.25(18) . .
C28 C23 Si1 124.0(2) . .
C25 C24 C23 108.3(3) . .
C25 C24 C29 126.2(3) . .
C23 C24 C29 125.5(3) . .
C25 C24 Si1 72.97(17) . .
C23 C24 Si1 72.88(17) . .
C29 C24 Si1 122.7(2) . .
C24 C25 C21 107.8(3) . .
C24 C25 C30 126.9(3) . .
C21 C25 C30 125.1(3) . .
C24 C25 Si1 74.09(17) . .
C21 C25 Si1 73.26(17) . .
C30 C25 Si1 122.6(2) . .
C21 C26 H26A 109.5 . .
C21 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C21 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C22 C27 H27A 109.5 . .
C22 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C22 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C23 C28 H28A 109.5 . .
C23 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C23 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C24 C29 H29A 109.5 . .
C24 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C24 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C25 C30 H30A 109.5 . .
C25 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C25 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C32A C31A H31A 109.5 . .
C32A C31A H31B 109.5 . .
H31A C31A H31B 109.5 . .
C32A C31A H31C 109.5 . .
H31A C31A H31C 109.5 . .
H31B C31A H31C 109.5 . .
C31A C32A C33A 117.6(5) . .
C31A C32A H32A 107.9 . .
C33A C32A H32A 107.9 . .
C31A C32A H32B 107.9 . .
C33A C32A H32B 107.9 . .
H32A C32A H32B 107.2 . .
C33B C32B H32C 107.2 . .
C33B C32B H32D 107.2 . .
H32C C32B H32D 106.8 . .
C33A C33A C32A 116.7(7) 2_566 .
C33A C33A H33A 108.1 2_566 .
C32A C33A H33A 108.1 . .
C33A C33A H33B 108.1 2_566 .
C32A C33A H33B 108.1 . .
H33A C33A H33B 107.3 . .
C32B C33B C33B 108.8(18) . 2_566
C32B C33B H33C 109.9 . .
C33B C33B H33C 109.9 2_566 .
C32B C33B H33D 109.9 . .
C33B C33B H33D 109.9 2_566 .
H33C C33B H33D 108.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 C21 2.476(3) .
Si1 C22 2.479(3) .
Si1 C1A 2.479(5) .
Si1 C23 2.481(3) .
Si1 C25 2.481(3) .
Si1 C5A 2.487(4) .
Si1 C2A 2.494(5) .
Si1 C24 2.496(3) .
Si1 C5B 2.496(8) .
Si1 C4B 2.499(7) .
Si1 C1B 2.502(8) .
Si1 C4A 2.507(4) .
C1A C5A 1.4200 .
C1A C2A 1.4200 .
C1A C6A 1.534(5) .
C2A C3A 1.4200 .
C2A C9A 1.530(5) .
C3A C4A 1.4200 .
C3A C12A 1.524(5) .
C4A C5A 1.4200 .
C4A C15A 1.528(5) .
C5A C18A 1.520(5) .
C6A C7 1.486(6) .
C6A C8 1.532(6) .
C6A H6AA 1.0000 .
C9A C10 1.474(6) .
C9A C11 1.532(6) .
C9A H9AA 1.0000 .
C12A C13 1.498(6) .
C12A C14 1.532(6) .
C12A H12A 1.0000 .
C15A C16 1.504(6) .
C15A C17 1.532(5) .
C15A H15A 1.0000 .
C18A C19 1.510(6) .
C18A C20 1.517(6) .
C18A H18A 1.0000 .
C1B C5B 1.4200 .
C1B C2B 1.4200 .
C1B C6B 1.522(9) .
C2B C3B 1.4200 .
C2B C9B 1.517(9) .
C3B C4B 1.4200 .
C3B C12B 1.532(9) .
C4B C5B 1.4200 .
C4B C15B 1.537(8) .
C5B C18B 1.537(9) .
C6B C8 1.483(8) .
C6B C7 1.506(8) .
C6B H6BA 1.0000 .
C9B C10 1.497(8) .
C9B C11 1.526(8) .
C9B H9BA 1.0000 .
C12B C13 1.496(8) .
C12B C14 1.516(9) .
C12B H12B 1.0000 .
C15B C16 1.452(8) .
C15B C17 1.540(8) .
C15B H15B 1.0000 .
C18B C19 1.471(9) .
C18B C20 1.503(8) .
C18B H18B 1.0000 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C7 H7D 0.9800 .
C7 H7E 0.9800 .
C7 H7F 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C8 H8D 0.9800 .
C8 H8E 0.9800 .
C8 H8F 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C10 H10D 0.9800 .
C10 H10E 0.9800 .
C10 H10F 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C11 H11D 0.9800 .
C11 H11E 0.9800 .
C11 H11F 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C13 H13D 0.9800 .
C13 H13E 0.9800 .
C13 H13F 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C14 H14D 0.9800 .
C14 H14E 0.9800 .
C14 H14F 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C16 H16D 0.9800 .
C16 H16E 0.9800 .
C16 H16F 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C17 H17D 0.9800 .
C17 H17E 0.9800 .
C17 H17F 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C19 H19D 0.9800 .
C19 H19E 0.9800 .
C19 H19F 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C20 H20D 0.9800 .
C20 H20E 0.9800 .
C20 H20F 0.9800 .
C21 C22 1.410(4) .
C21 C25 1.412(5) .
C21 C26 1.516(5) .
C22 C23 1.423(5) .
C22 C27 1.506(5) .
C23 C24 1.418(4) .
C23 C28 1.502(4) .
C24 C25 1.411(4) .
C24 C29 1.510(5) .
C25 C30 1.501(4) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31A C32A 1.484(7) .
C31A H31A 0.9800 .
C31A H31B 0.9800 .
C31A H31C 0.9800 .
C32A C33A 1.502(7) .
C32A H32A 0.9900 .
C32A H32B 0.9900 .
C32B C33B 1.508(14) .
C32B H32C 0.9900 .
C32B H32D 0.9900 .
C33A C33A 1.483(10) 2_566
C33A H33A 0.9900 .
C33A H33B 0.9900 .
C33B C33B 1.54(3) 2_566
C33B H33C 0.9900 .
C33B H33D 0.9900 .
