# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2008

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Shinji Toyota'
_publ_contact_author_address     
;
Department of Chemistry
Okayama University of Science
1-1 Ridaicho
Okayama
7000005
JAPAN
;

_publ_contact_author_email       STOYO@CHEM.OUS.AC.JP

_publ_section_title              
;
Molecular folding screen: folding and unfolding of
1,8-anthrylene-ethynylene oligomers by photochemical cycloaddition and
thermal cycloreversion
;
loop_
_publ_author_name
'Shinji Toyota'
'Michio Goichi'
'Tetsuo Iwanaga'
'Makoto Kuga'
'Akiko Takatsu'

# Attachment 'CCDC667544.cif'

#------------------------------------------------------------------------------
data_anti3mer
_database_code_depnum_ccdc_archive 'CCDC 667544'
#------------------------------------------------------------------------------
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          280-282
_chemical_formula_moiety         'C68 H66 Si2'
_chemical_formula_sum            'C68 H66 Si2'
_chemical_formula_weight         939.39

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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   22.625(3)
_cell_length_b                   9.6582(11)
_cell_length_c                   24.852(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.565(6)
_cell_angle_gamma                90.00
_cell_volume                     5355.2(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.165
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2008
_exptl_absorpt_coefficient_mu    0.108
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9521
_exptl_absorpt_correction_T_max  0.9946
_exptl_absorpt_process_details   '(Higashi, 1995)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku HR-RAXIS'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            88674
_diffrn_reflns_av_R_equivalents  0.0732
_diffrn_reflns_av_sigmaI/netI    0.0740
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.99
_diffrn_reflns_theta_max         27.48
_reflns_number_total             23529
_reflns_number_gt                18230
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0725P)^2^+3.9016P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.26(10)
_refine_ls_number_reflns         23529
_refine_ls_number_parameters     1285
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0618
_refine_ls_wR_factor_ref         0.1710
_refine_ls_wR_factor_gt          0.1612
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.04157(17) 0.5756(5) 0.60409(17) 0.0359(9) Uani 1 1 d . . .
H1 H 0.0793 0.5613 0.5888 0.043 Uiso 1 1 calc R . .
C2 C -0.0108(2) 0.5585(6) 0.55595(19) 0.0550(13) Uani 1 1 d . . .
H2 H -0.0490 0.5650 0.5695 0.083 Uiso 1 1 calc R . .
H3 H -0.0079 0.4679 0.5388 0.083 Uiso 1 1 calc R . .
H4 H -0.0087 0.6318 0.5290 0.083 Uiso 1 1 calc R . .
C3 C 0.0434(2) 0.7235(5) 0.6252(2) 0.0485(12) Uani 1 1 d . . .
H5 H 0.0474 0.7875 0.5954 0.073 Uiso 1 1 calc R . .
H6 H 0.0777 0.7346 0.6547 0.073 Uiso 1 1 calc R . .
H7 H 0.0063 0.7437 0.6391 0.073 Uiso 1 1 calc R . .
C4 C -0.02878(17) 0.4359(5) 0.69176(15) 0.0364(9) Uani 1 1 d . . .
H8 H -0.0637 0.4169 0.6623 0.044 Uiso 1 1 calc R . .
C5 C -0.0415(2) 0.5708(5) 0.71961(19) 0.0495(12) Uani 1 1 d . . .
H9 H -0.0764 0.5584 0.7378 0.074 Uiso 1 1 calc R . .
H10 H -0.0498 0.6443 0.6922 0.074 Uiso 1 1 calc R . .
H11 H -0.0066 0.5962 0.7466 0.074 Uiso 1 1 calc R . .
C6 C -0.0248(2) 0.3174(5) 0.73271(18) 0.0477(11) Uani 1 1 d . . .
H12 H 0.0105 0.3303 0.7610 0.072 Uiso 1 1 calc R . .
H13 H -0.0214 0.2293 0.7139 0.072 Uiso 1 1 calc R . .
H14 H -0.0610 0.3163 0.7496 0.072 Uiso 1 1 calc R . .
C7 C 0.05408(17) 0.2584(4) 0.63380(16) 0.0331(8) Uani 1 1 d . . .
H15 H 0.0667 0.2005 0.6671 0.040 Uiso 1 1 calc R . .
C8 C -0.0022(2) 0.1898(5) 0.60199(19) 0.0465(11) Uani 1 1 d . . .
H16 H -0.0121 0.2325 0.5658 0.070 Uiso 1 1 calc R . .
H17 H -0.0358 0.2024 0.6219 0.070 Uiso 1 1 calc R . .
H18 H 0.0052 0.0907 0.5980 0.070 Uiso 1 1 calc R . .
C9 C 0.1056(2) 0.2537(5) 0.60140(18) 0.0461(11) Uani 1 1 d . . .
H19 H 0.1141 0.1573 0.5932 0.069 Uiso 1 1 calc R . .
H20 H 0.1413 0.2958 0.6229 0.069 Uiso 1 1 calc R . .
H21 H 0.0944 0.3052 0.5672 0.069 Uiso 1 1 calc R . .
Si1 Si 0.04107(4) 0.43945(11) 0.65890(4) 0.0254(2) Uani 1 1 d . . .
C10 C 0.10197(16) 0.4858(4) 0.71546(15) 0.0271(7) Uani 1 1 d . . .
C11 C 0.12965(15) 0.5292(4) 0.75817(14) 0.0233(7) Uani 1 1 d . . .
C12 C 0.15229(14) 0.5794(4) 0.81188(14) 0.0230(7) Uani 1 1 d . . .
C13 C 0.12591(16) 0.5234(4) 0.85524(15) 0.0288(8) Uani 1 1 d . . .
H22 H 0.0988 0.4477 0.8485 0.035 Uiso 1 1 calc R . .
C14 C 0.13957(16) 0.5789(4) 0.90757(15) 0.0301(8) Uani 1 1 d . . .
H23 H 0.1221 0.5407 0.9365 0.036 Uiso 1 1 calc R . .
C15 C 0.17897(16) 0.6908(4) 0.91755(14) 0.0263(7) Uani 1 1 d . . .
H24 H 0.1879 0.7294 0.9531 0.032 Uiso 1 1 calc R . .
C16 C 0.21785(15) 1.1103(4) 0.84221(14) 0.0253(7) Uani 1 1 d . . .
H25 H 0.2265 1.1507 0.8775 0.030 Uiso 1 1 calc R . .
C17 C 0.19750(17) 1.1935(4) 0.79687(14) 0.0280(8) Uani 1 1 d . . .
H26 H 0.1903 1.2893 0.8017 0.034 Uiso 1 1 calc R . .
C18 C 0.18775(15) 1.1366(4) 0.74485(14) 0.0259(7) Uani 1 1 d . . .
H27 H 0.1749 1.1940 0.7141 0.031 Uiso 1 1 calc R . .
C19 C 0.19688(14) 0.9940(3) 0.73759(13) 0.0205(7) Uani 1 1 d . . .
C20 C 0.22368(15) 0.7565(4) 0.77928(13) 0.0215(7) Uani 1 1 d . . .
H28 H 0.2027 0.7246 0.7428 0.026 Uiso 1 1 calc R . .
C21 C 0.24581(15) 0.8711(4) 0.88325(13) 0.0225(7) Uani 1 1 d . . .
H29 H 0.2395 0.9188 0.9176 0.027 Uiso 1 1 calc R . .
C22 C 0.19386(14) 0.6881(3) 0.82327(13) 0.0204(7) Uani 1 1 d . . .
C23 C 0.20527(15) 0.7459(4) 0.87540(13) 0.0232(7) Uani 1 1 d . . .
C24 C 0.21420(14) 0.9096(4) 0.78363(13) 0.0206(7) Uani 1 1 d . . .
C25 C 0.22552(14) 0.9681(4) 0.83593(13) 0.0225(7) Uani 1 1 d . . .
C26 C 0.19141(15) 0.9319(4) 0.68456(13) 0.0231(7) Uani 1 1 d . . .
C27 C 0.19019(15) 0.8702(4) 0.64204(14) 0.0247(7) Uani 1 1 d . . .
C28 C 0.18520(15) 0.8040(4) 0.58970(13) 0.0230(7) Uani 1 1 d . . .
C29 C 0.16023(16) 0.8802(4) 0.54415(14) 0.0274(8) Uani 1 1 d . . .
H30 H 0.1485 0.9735 0.5485 0.033 Uiso 1 1 calc R . .
C30 C 0.15194(17) 0.8207(4) 0.49124(15) 0.0301(8) Uani 1 1 d . . .
H31 H 0.1350 0.8748 0.4606 0.036 Uiso 1 1 calc R . .
C31 C 0.16809(16) 0.6863(4) 0.48384(14) 0.0289(8) Uani 1 1 d . . .
H32 H 0.1620 0.6476 0.4482 0.035 Uiso 1 1 calc R . .
C32 C 0.24883(16) 0.2406(4) 0.55873(14) 0.0282(8) Uani 1 1 d . . .
H33 H 0.2415 0.2025 0.5230 0.034 Uiso 1 1 calc R . .
C33 C 0.27135(16) 0.1577(4) 0.60121(15) 0.0301(8) Uani 1 1 d . . .
H34 H 0.2793 0.0628 0.5953 0.036 Uiso 1 1 calc R . .
C34 C 0.28303(16) 0.2146(4) 0.65480(15) 0.0272(8) Uani 1 1 d . . .
H35 H 0.2989 0.1565 0.6846 0.033 Uiso 1 1 calc R . .
C35 C 0.27192(15) 0.3511(4) 0.66454(14) 0.0237(7) Uani 1 1 d . . .
C36 C 0.22960(15) 0.5796(4) 0.62726(13) 0.0224(7) Uani 1 1 d . . .
H36 H 0.2370 0.6185 0.6629 0.027 Uiso 1 1 calc R . .
C37 C 0.21042(16) 0.4677(4) 0.52254(14) 0.0287(8) Uani 1 1 d . . .
H37 H 0.2041 0.4300 0.4867 0.034 Uiso 1 1 calc R . .
C38 C 0.20308(14) 0.6616(4) 0.58375(13) 0.0217(7) Uani 1 1 d . . .
C39 C 0.19410(15) 0.6037(4) 0.52961(13) 0.0242(7) Uani 1 1 d . . .
C40 C 0.24578(14) 0.4409(4) 0.62011(13) 0.0221(7) Uani 1 1 d . . .
C41 C 0.23580(16) 0.3838(4) 0.56599(14) 0.0267(8) Uani 1 1 d . . .
C42 C 0.28626(16) 0.4000(4) 0.71924(14) 0.0248(7) Uani 1 1 d . . .
C43 C 0.30114(15) 0.4295(4) 0.76670(13) 0.0238(7) Uani 1 1 d . . .
C44 C 0.31653(15) 0.4814(4) 0.82168(13) 0.0227(7) Uani 1 1 d . . .
C45 C 0.33337(16) 0.3916(4) 0.86620(14) 0.0263(7) Uani 1 1 d . . .
H38 H 0.3347 0.2944 0.8606 0.032 Uiso 1 1 calc R . .
C46 C 0.34800(16) 0.4461(4) 0.91837(14) 0.0293(8) Uani 1 1 d . . .
H39 H 0.3610 0.3863 0.9483 0.035 Uiso 1 1 calc R . .
C47 C 0.34371(16) 0.5882(4) 0.92705(14) 0.0265(8) Uani 1 1 d . . .
H40 H 0.3532 0.6245 0.9630 0.032 Uiso 1 1 calc R . .
C48 C 0.38125(16) 1.0216(4) 0.85883(15) 0.0277(8) Uani 1 1 d . . .
H41 H 0.3890 1.0557 0.8952 0.033 Uiso 1 1 calc R . .
C49 C 0.40678(16) 1.0869(4) 0.81808(15) 0.0301(8) Uani 1 1 d . . .
H42 H 0.4302 1.1683 0.8261 0.036 Uiso 1 1 calc R . .
C50 C 0.39773(16) 1.0322(4) 0.76627(15) 0.0272(8) Uani 1 1 d . . .
H43 H 0.4159 1.0753 0.7388 0.033 Uiso 1 1 calc R . .
C51 C 0.36186(15) 0.9129(3) 0.75303(13) 0.0224(7) Uani 1 1 d . . .
C52 C 0.29438(14) 0.7236(3) 0.78377(13) 0.0201(6) Uani 1 1 d . . .
H44 H 0.3012 0.6788 0.7490 0.024 Uiso 1 1 calc R . .
C53 C 0.31594(15) 0.8314(4) 0.88902(13) 0.0225(7) Uani 1 1 d . . .
H45 H 0.3366 0.8609 0.9260 0.027 Uiso 1 1 calc R . .
C54 C 0.31332(14) 0.6234(4) 0.83028(13) 0.0212(7) Uani 1 1 d . . .
C55 C 0.32548(15) 0.6773(4) 0.88311(13) 0.0230(7) Uani 1 1 d . . .
C56 C 0.33375(15) 0.8519(4) 0.79331(13) 0.0216(7) Uani 1 1 d . . .
C57 C 0.34460(14) 0.9068(3) 0.84634(13) 0.0218(7) Uani 1 1 d . . .
C58 C 0.36433(15) 0.8504(4) 0.70092(14) 0.0239(7) Uani 1 1 d . . .
C59 C 0.37760(16) 0.8038(4) 0.65924(14) 0.0276(8) Uani 1 1 d . . .
C60 C 0.38836(16) 0.8427(5) 0.54140(15) 0.0323(9) Uani 1 1 d . . .
H46 H 0.4077 0.8052 0.5110 0.039 Uiso 1 1 calc R . .
C61 C 0.32087(16) 0.8256(5) 0.52497(15) 0.0320(8) Uani 1 1 d . . .
H47 H 0.3006 0.8669 0.5529 0.048 Uiso 1 1 calc R . .
H48 H 0.3110 0.7268 0.5214 0.048 Uiso 1 1 calc R . .
H49 H 0.3076 0.8719 0.4900 0.048 Uiso 1 1 calc R . .
C62 C 0.40424(19) 0.9974(5) 0.54756(17) 0.0430(10) Uani 1 1 d . . .
H50 H 0.3904 1.0451 0.5129 0.064 Uiso 1 1 calc R . .
H51 H 0.4478 1.0079 0.5575 0.064 Uiso 1 1 calc R . .
H52 H 0.3847 1.0379 0.5762 0.064 Uiso 1 1 calc R . .
C63 C 0.39964(18) 0.5475(4) 0.59437(16) 0.0350(9) Uani 1 1 d . . .
H53 H 0.3556 0.5395 0.5808 0.042 Uiso 1 1 calc R . .
C64 C 0.4322(2) 0.4805(5) 0.55097(18) 0.0480(11) Uani 1 1 d . . .
H54 H 0.4755 0.4789 0.5644 0.072 Uiso 1 1 calc R . .
H55 H 0.4242 0.5345 0.5172 0.072 Uiso 1 1 calc R . .
H56 H 0.4177 0.3856 0.5438 0.072 Uiso 1 1 calc R . .
C65 C 0.41297(19) 0.4672(5) 0.64755(17) 0.0409(10) Uani 1 1 d . . .
H57 H 0.3997 0.3711 0.6413 0.061 Uiso 1 1 calc R . .
H58 H 0.3916 0.5097 0.6746 0.061 Uiso 1 1 calc R . .
H59 H 0.4562 0.4691 0.6612 0.061 Uiso 1 1 calc R . .
C66 C 0.50078(17) 0.7643(5) 0.62818(16) 0.0365(9) Uani 1 1 d . . .
H60 H 0.5154 0.6803 0.6498 0.044 Uiso 1 1 calc R . .
C67 C 0.53455(19) 0.7687(6) 0.5794(2) 0.0537(13) Uani 1 1 d . . .
H61 H 0.5251 0.8551 0.5592 0.081 Uiso 1 1 calc R . .
H62 H 0.5223 0.6898 0.5554 0.081 Uiso 1 1 calc R . .
H63 H 0.5778 0.7639 0.5927 0.081 Uiso 1 1 calc R . .
C68 C 0.5172(2) 0.8890(6) 0.66599(19) 0.0507(12) Uani 1 1 d . . .
H64 H 0.5604 0.8890 0.6793 0.076 Uiso 1 1 calc R . .
H65 H 0.4956 0.8829 0.6970 0.076 Uiso 1 1 calc R . .
H66 H 0.5059 0.9747 0.6458 0.076 Uiso 1 1 calc R . .
Si2 Si 0.41722(4) 0.73862(12) 0.60480(4) 0.0272(2) Uani 1 1 d . . .
C69 C 0.49109(15) 0.5925(4) 0.84246(15) 0.0290(8) Uani 1 1 d . A 1
H67 H 0.4631 0.6187 0.8680 0.035 Uiso 1 1 calc R A 1
C70 C 0.48745(18) 0.4341(5) 0.83423(18) 0.0397(9) Uani 1 1 d . A 1
H68 H 0.4467 0.4084 0.8174 0.060 Uiso 1 1 calc R A 1
H69 H 0.4977 0.3879 0.8697 0.060 Uiso 1 1 calc R A 1
H70 H 0.5157 0.4055 0.8104 0.060 Uiso 1 1 calc R A 1
C71 C 0.46917(17) 0.6640(5) 0.78690(15) 0.0373(9) Uani 1 1 d . A 1
H71 H 0.4966 0.6418 0.7615 0.056 Uiso 1 1 calc R A 1
H72 H 0.4682 0.7645 0.7922 0.056 Uiso 1 1 calc R A 1
H73 H 0.4288 0.6308 0.7719 0.056 Uiso 1 1 calc R A 1
C72 C 0.59245(16) 0.5368(5) 0.93747(14) 0.0337(9) Uani 1 1 d . A 1
H74 H 0.5983 0.4409 0.9242 0.040 Uiso 1 1 calc R A 1
C73 C 0.5441(2) 0.5261(7) 0.97515(17) 0.0554(14) Uani 1 1 d . A 1
H75 H 0.5545 0.4506 1.0013 0.083 Uiso 1 1 calc R A 1
H76 H 0.5049 0.5075 0.9529 0.083 Uiso 1 1 calc R A 1
H77 H 0.5424 0.6135 0.9949 0.083 Uiso 1 1 calc R A 1
C74 C 0.65222(17) 0.5808(5) 0.97074(15) 0.0361(9) Uani 1 1 d . A 1
H78 H 0.6479 0.6718 0.9871 0.054 Uiso 1 1 calc R A 1
H79 H 0.6825 0.5860 0.9469 0.054 Uiso 1 1 calc R A 1
H80 H 0.6647 0.5128 0.9997 0.054 Uiso 1 1 calc R A 1
C75 C 0.58050(17) 0.8380(4) 0.89034(16) 0.0326(8) Uani 1 1 d . A 1
H81 H 0.6230 0.8489 0.9088 0.039 Uiso 1 1 calc R A 1
C76 C 0.5413(2) 0.8909(5) 0.93045(19) 0.0514(12) Uani 1 1 d . A 1
H82 H 0.5504 0.9886 0.9387 0.077 Uiso 1 1 calc R A 1
H83 H 0.5493 0.8366 0.9642 0.077 Uiso 1 1 calc R A 1
H84 H 0.4990 0.8815 0.9142 0.077 Uiso 1 1 calc R A 1
C77 C 0.57299(19) 0.9296(4) 0.83938(18) 0.0399(9) Uani 1 1 d . A 1
H85 H 0.5309 0.9290 0.8217 0.060 Uiso 1 1 calc R A 1
H86 H 0.5981 0.8940 0.8140 0.060 Uiso 1 1 calc R A 1
H87 H 0.5851 1.0246 0.8499 0.060 Uiso 1 1 calc R A 1
Si3 Si 0.56909(4) 0.64679(11) 0.87451(4) 0.0249(2) Uani 1 1 d . A 1
C78 C 0.61520(16) 0.6016(4) 0.82185(14) 0.0266(8) Uani 1 1 d . A 1
C79 C 0.62917(15) 0.5725(3) 0.77884(14) 0.0215(7) Uani 1 1 d . A 1
C80 C 0.63498(15) 0.5249(4) 0.72473(13) 0.0223(7) Uani 1 1 d . A 1
C81 C 0.59917(16) 0.4101(4) 0.70465(15) 0.0278(8) Uani 1 1 d . A 1
H88 H 0.5756 0.3650 0.7276 0.033 Uiso 1 1 calc R A 1
C82 C 0.59805(16) 0.3630(4) 0.65232(15) 0.0296(8) Uani 1 1 d . A 1
H89 H 0.5739 0.2854 0.6395 0.035 Uiso 1 1 calc R A 1
C83 C 0.63194(15) 0.4281(4) 0.61813(14) 0.0258(7) Uani 1 1 d . A 1
H90 H 0.6303 0.3968 0.5817 0.031 Uiso 1 1 calc R A 1
C84 C 0.68800(15) 0.8630(4) 0.56495(14) 0.0252(7) Uani 1 1 d . A 1
H91 H 0.6859 0.8300 0.5287 0.030 Uiso 1 1 calc R A 1
C85 C 0.68168(17) 1.0030(4) 0.57425(14) 0.0291(8) Uani 1 1 d . A 1
H92 H 0.6753 1.0652 0.5442 0.035 Uiso 1 1 calc R A 1
C86 C 0.68460(16) 1.0532(4) 0.62650(15) 0.0269(8) Uani 1 1 d . A 1
H93 H 0.6810 1.1498 0.6324 0.032 Uiso 1 1 calc R A 1
C87 C 0.69284(14) 0.9617(4) 0.67101(12) 0.0207(7) Uani 1 1 d . A 1
C88 C 0.70918(14) 0.7156(3) 0.70730(12) 0.0178(6) Uani 1 1 d . A 1
H94 H 0.6965 0.7575 0.7404 0.021 Uiso 1 1 calc R A 1
C89 C 0.70660(14) 0.6159(4) 0.60205(12) 0.0212(7) Uani 1 1 d . A 1
H95 H 0.6921 0.5903 0.5631 0.025 Uiso 1 1 calc R A 1
C90 C 0.67035(14) 0.5895(3) 0.69076(13) 0.0207(7) Uani 1 1 d . A 1
C91 C 0.66835(15) 0.5395(4) 0.63752(13) 0.0218(7) Uani 1 1 d . A 1
C92 C 0.69838(14) 0.8202(4) 0.66148(13) 0.0195(6) Uani 1 1 d . A 1
C93 C 0.69733(14) 0.7700(4) 0.60826(13) 0.0213(7) Uani 1 1 d . A 1
C94 C 0.69743(16) 1.0097(4) 0.72597(14) 0.0250(7) Uani 1 1 d . A 1
C95 C 0.70408(15) 1.0411(4) 0.77354(14) 0.0244(7) Uani 1 1 d . A 1
C96 C 0.70939(16) 1.0895(4) 0.82883(14) 0.0250(7) Uani 1 1 d . A 1
C97 C 0.69634(17) 1.2248(4) 0.83814(15) 0.0290(8) Uani 1 1 d . A 1
H96 H 0.6851 1.2850 0.8079 0.035 Uiso 1 1 calc R A 1
C98 C 0.69923(18) 1.2767(4) 0.89119(16) 0.0333(9) Uani 1 1 d . A 1
H97 H 0.6906 1.3715 0.8965 0.040 Uiso 1 1 calc R A 1
C99 C 0.71435(17) 1.1922(4) 0.93507(15) 0.0307(8) Uani 1 1 d . A 1
H98 H 0.7147 1.2277 0.9708 0.037 Uiso 1 1 calc R A 1
C100 C 0.79333(17) 0.7475(4) 1.01322(13) 0.0308(8) Uani 1 1 d . A 1
H99 H 0.7948 0.7846 1.0488 0.037 Uiso 1 1 calc R A 1
C101 C 0.81390(16) 0.6171(4) 1.00719(14) 0.0295(8) Uani 1 1 d . A 1
H100 H 0.8293 0.5638 1.0385 0.035 Uiso 1 1 calc R A 1
C102 C 0.81248(16) 0.5602(4) 0.95441(14) 0.0274(8) Uani 1 1 d . A 1
H101 H 0.8271 0.4689 0.9510 0.033 Uiso 1 1 calc R A 1
C103 C 0.79016(15) 0.6350(4) 0.90717(13) 0.0244(7) Uani 1 1 d . A 1
C104 C 0.74730(15) 0.8589(4) 0.86788(13) 0.0230(7) Uani 1 1 d . A 1
H102 H 0.7450 0.8220 0.8321 0.028 Uiso 1 1 calc R A 1
C105 C 0.74965(16) 0.9642(4) 0.97285(13) 0.0265(7) Uani 1 1 d . A 1
H103 H 0.7496 0.9985 1.0087 0.032 Uiso 1 1 calc R A 1
C106 C 0.72895(15) 0.9965(4) 0.87385(13) 0.0234(7) Uani 1 1 d . A 1
C107 C 0.72970(16) 1.0513(4) 0.92816(14) 0.0256(7) Uani 1 1 d . A 1
C108 C 0.76871(15) 0.7743(4) 0.91255(13) 0.0227(7) Uani 1 1 d . A 1
C109 C 0.76943(16) 0.8299(4) 0.96656(14) 0.0265(7) Uani 1 1 d . A 1
C110 C 0.79158(15) 0.5690(4) 0.85607(14) 0.0247(7) Uani 1 1 d . A 1
C111 C 0.79562(15) 0.5055(4) 0.81574(13) 0.0224(7) Uani 1 1 d . A 1
C112 C 0.79835(14) 0.4423(4) 0.76348(13) 0.0203(6) Uani 1 1 d . A 1
C113 C 0.80695(15) 0.2997(4) 0.75690(14) 0.0233(7) Uani 1 1 d . A 1
H104 H 0.8134 0.2407 0.7879 0.028 Uiso 1 1 calc R A 1
C114 C 0.80603(16) 0.2448(4) 0.70510(14) 0.0272(7) Uani 1 1 d . A 1
H105 H 0.8118 0.1482 0.7009 0.033 Uiso 1 1 calc R A 1
C115 C 0.79676(15) 0.3305(4) 0.65923(14) 0.0232(7) Uani 1 1 d . A 1
H106 H 0.7961 0.2923 0.6239 0.028 Uiso 1 1 calc R A 1
C116 C 0.84951(15) 0.7551(4) 0.59578(14) 0.0248(7) Uani 1 1 d . A 1
H107 H 0.8482 0.7158 0.5606 0.030 Uiso 1 1 calc R A 1
C117 C 0.88608(16) 0.8721(4) 0.61185(14) 0.0274(8) Uani 1 1 d . A 1
H108 H 0.9084 0.9135 0.5869 0.033 Uiso 1 1 calc R A 1
C118 C 0.88930(15) 0.9265(4) 0.66436(14) 0.0272(7) Uani 1 1 d . A 1
H109 H 0.9137 1.0050 0.6752 0.033 Uiso 1 1 calc R A 1
C119 C 0.85608(14) 0.8641(4) 0.70120(14) 0.0224(7) Uani 1 1 d . A 1
C120 C 0.77994(14) 0.6816(4) 0.72117(13) 0.0211(7) Uani 1 1 d . A 1
H110 H 0.7948 0.7110 0.7596 0.025 Uiso 1 1 calc R A 1
C121 C 0.77614(15) 0.5721(4) 0.61743(13) 0.0220(7) Uani 1 1 d . A 1
H111 H 0.7883 0.5264 0.5848 0.026 Uiso 1 1 calc R A 1
C122 C 0.78992(14) 0.5284(4) 0.71737(13) 0.0207(7) Uani 1 1 d . A 1
C123 C 0.78849(14) 0.4718(4) 0.66534(13) 0.0221(7) Uani 1 1 d . A 1
C124 C 0.81763(14) 0.7539(4) 0.68439(13) 0.0211(7) Uani 1 1 d . A 1
C125 C 0.81596(14) 0.6991(4) 0.63179(13) 0.0215(7) Uani 1 1 d . A 1
C126 C 0.86971(15) 0.9116(4) 0.75728(14) 0.0249(7) Uani 1 1 d . A 1
C127 C 0.89093(15) 0.9486(4) 0.80292(15) 0.0303(8) Uani 1 1 d . A 1
C128 C 0.9374(2) 0.8133(5) 0.90915(19) 0.0424(10) Uani 1 1 d . A 1
H112 H 0.8938 0.8090 0.9115 0.051 Uiso 1 1 calc R A 1
C129 C 0.9513(2) 0.6764(5) 0.8829(3) 0.0732(18) Uani 1 1 d . A 1
H113 H 0.9941 0.6719 0.8810 0.110 Uiso 1 1 calc R A 1
H114 H 0.9280 0.6705 0.8460 0.110 Uiso 1 1 calc R A 1
H115 H 0.9405 0.5991 0.9049 0.110 Uiso 1 1 calc R A 1
C130 C 0.9696(3) 0.8239(7) 0.9686(2) 0.0719(17) Uani 1 1 d . A 1
H116 H 0.9576 0.7460 0.9897 0.108 Uiso 1 1 calc R A 1
H117 H 0.9586 0.9112 0.9845 0.108 Uiso 1 1 calc R A 1
H118 H 1.0130 0.8212 0.9695 0.108 Uiso 1 1 calc R A 1
C131 C 1.01944(19) 0.9943(6) 0.84019(18) 0.0516(13) Uani 1 1 d . A 1
H119 H 1.0160 1.0860 0.8212 0.062 Uiso 1 1 calc R A 1
C132 C 1.0344(2) 0.8936(7) 0.7992(2) 0.0723(19) Uani 1 1 d . A 1
H120 H 1.0678 0.9295 0.7828 0.108 Uiso 1 1 calc R A 1
H121 H 0.9994 0.8799 0.7707 0.108 Uiso 1 1 calc R A 1
H122 H 1.0460 0.8050 0.8172 0.108 Uiso 1 1 calc R A 1
C133 C 1.0715(2) 1.0095(7) 0.8872(2) 0.0646(17) Uani 1 1 d . A 1
H123 H 1.0763 0.9235 0.9084 0.097 Uiso 1 1 calc R A 1
H124 H 1.0633 1.0861 0.9108 0.097 Uiso 1 1 calc R A 1
H125 H 1.1083 1.0288 0.8727 0.097 Uiso 1 1 calc R A 1
C134 C 0.93433(18) 1.1303(4) 0.90569(15) 0.0339(8) Uani 1 1 d . A 1
H126 H 0.9645 1.1258 0.9399 0.041 Uiso 1 1 calc R A 1
C135 C 0.9450(2) 1.2685(5) 0.8786(2) 0.0497(12) Uani 1 1 d . A 1
H127 H 0.9158 1.2793 0.8450 0.075 Uiso 1 1 calc R A 1
H128 H 0.9856 1.2699 0.8697 0.075 Uiso 1 1 calc R A 1
H129 H 0.9405 1.3446 0.9036 0.075 Uiso 1 1 calc R A 1
C136 C 0.87265(19) 1.1330(5) 0.92381(18) 0.0434(10) Uani 1 1 d . A 1
H130 H 0.8720 1.2062 0.9510 0.065 Uiso 1 1 calc R A 1
H131 H 0.8650 1.0434 0.9398 0.065 Uiso 1 1 calc R A 1
H132 H 0.8416 1.1512 0.8921 0.065 Uiso 1 1 calc R A 1
Si4 Si 0.94594(4) 0.96984(12) 0.86587(4) 0.0292(2) Uani 1 1 d . A 1

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.0237(18) 0.040(2) 0.042(2) 0.0079(19) 0.0001(16) -0.0020(17)
C2 0.052(3) 0.066(3) 0.041(2) 0.016(2) -0.008(2) -0.008(3)
C3 0.034(2) 0.034(2) 0.075(3) 0.017(2) 0.000(2) -0.0084(19)
C4 0.0253(18) 0.050(3) 0.0332(19) -0.0027(19) 0.0036(15) -0.0015(19)
C5 0.039(2) 0.067(3) 0.045(2) -0.003(2) 0.0135(19) 0.014(2)
C6 0.042(2) 0.062(3) 0.043(2) 0.005(2) 0.017(2) -0.015(2)
C7 0.0310(19) 0.030(2) 0.037(2) -0.0048(18) 0.0045(16) -0.0030(17)
C8 0.043(2) 0.045(3) 0.049(3) -0.008(2) 0.003(2) -0.012(2)
C9 0.040(2) 0.048(3) 0.051(3) -0.017(2) 0.0108(19) 0.002(2)
Si1 0.0214(4) 0.0276(5) 0.0270(5) -0.0012(4) 0.0031(4) -0.0025(4)
C10 0.0250(17) 0.0235(18) 0.0333(18) 0.0036(15) 0.0064(14) 0.0000(15)
C11 0.0221(16) 0.0212(17) 0.0265(17) 0.0015(14) 0.0033(13) -0.0040(14)
C12 0.0187(15) 0.0226(17) 0.0271(17) 0.0017(14) 0.0020(13) 0.0045(14)
C13 0.0279(18) 0.0257(19) 0.0335(19) 0.0025(16) 0.0071(15) -0.0025(15)
C14 0.0300(18) 0.032(2) 0.0304(18) 0.0073(16) 0.0114(15) 0.0000(16)
C15 0.0319(18) 0.0256(18) 0.0220(16) 0.0000(14) 0.0064(14) 0.0041(15)
C16 0.0279(17) 0.0253(19) 0.0234(16) -0.0049(14) 0.0064(13) -0.0032(15)
C17 0.0347(19) 0.0188(17) 0.0319(18) -0.0008(15) 0.0104(15) 0.0027(15)
C18 0.0260(17) 0.0250(18) 0.0266(16) 0.0021(15) 0.0043(13) 0.0032(15)
C19 0.0192(15) 0.0207(17) 0.0213(15) 0.0001(13) 0.0021(12) -0.0005(13)
C20 0.0268(16) 0.0182(16) 0.0198(15) -0.0020(14) 0.0045(13) 0.0001(14)
C21 0.0268(17) 0.0218(17) 0.0192(15) -0.0042(13) 0.0053(13) -0.0007(14)
C22 0.0191(15) 0.0197(16) 0.0219(15) 0.0039(13) 0.0014(12) 0.0038(13)
C23 0.0242(16) 0.0209(17) 0.0254(16) -0.0010(15) 0.0071(13) 0.0044(15)
C24 0.0191(15) 0.0207(17) 0.0219(15) -0.0015(13) 0.0033(12) 0.0003(13)
C25 0.0238(16) 0.0210(17) 0.0229(15) -0.0025(14) 0.0050(13) 0.0007(14)
C26 0.0239(16) 0.0236(17) 0.0216(16) 0.0014(14) 0.0038(12) 0.0012(15)
C27 0.0237(16) 0.0257(18) 0.0246(17) 0.0018(15) 0.0035(13) -0.0017(15)
C28 0.0258(17) 0.0258(18) 0.0175(15) -0.0015(14) 0.0035(12) -0.0070(14)
C29 0.0304(18) 0.0258(18) 0.0263(17) 0.0014(15) 0.0054(14) 0.0020(15)
C30 0.0292(18) 0.034(2) 0.0264(18) 0.0040(16) 0.0029(14) -0.0006(17)
C31 0.0279(18) 0.038(2) 0.0200(16) -0.0004(15) 0.0018(13) -0.0082(16)
C32 0.0356(19) 0.0249(18) 0.0259(17) -0.0048(15) 0.0104(15) -0.0055(17)
C33 0.0327(19) 0.0247(19) 0.0343(19) -0.0068(16) 0.0101(15) -0.0008(16)
C34 0.0317(18) 0.0230(19) 0.0279(17) -0.0020(15) 0.0079(14) -0.0010(15)
C35 0.0226(16) 0.0249(18) 0.0247(16) -0.0003(14) 0.0070(13) -0.0043(14)
C36 0.0229(15) 0.0268(18) 0.0181(15) -0.0034(14) 0.0046(12) -0.0029(14)
C37 0.0331(18) 0.034(2) 0.0207(16) -0.0022(15) 0.0088(14) -0.0054(17)
C38 0.0203(15) 0.0252(18) 0.0200(15) -0.0012(14) 0.0044(12) -0.0055(14)
C39 0.0248(16) 0.0283(19) 0.0202(15) -0.0011(14) 0.0059(13) -0.0051(15)
C40 0.0236(16) 0.0207(17) 0.0229(15) -0.0016(14) 0.0058(12) -0.0040(14)
C41 0.0276(17) 0.0290(19) 0.0251(17) -0.0051(15) 0.0093(14) -0.0053(15)
C42 0.0276(17) 0.0176(17) 0.0308(18) 0.0033(14) 0.0093(14) 0.0004(14)
C43 0.0261(16) 0.0192(17) 0.0255(17) 0.0010(14) 0.0024(13) 0.0036(14)
C44 0.0229(16) 0.0231(17) 0.0225(15) -0.0004(14) 0.0053(12) -0.0004(14)
C45 0.0278(17) 0.0222(18) 0.0292(18) 0.0052(15) 0.0054(14) 0.0033(15)
C46 0.0330(18) 0.030(2) 0.0258(17) 0.0049(16) 0.0060(14) 0.0042(17)
C47 0.0312(18) 0.029(2) 0.0189(16) 0.0030(14) 0.0032(13) 0.0024(16)
C48 0.0285(18) 0.0252(19) 0.0276(17) -0.0039(15) -0.0006(14) 0.0010(15)
C49 0.0280(18) 0.0240(19) 0.038(2) -0.0050(16) 0.0040(15) -0.0063(16)
C50 0.0250(17) 0.0241(18) 0.0329(18) 0.0024(15) 0.0061(14) -0.0065(15)
C51 0.0236(16) 0.0168(16) 0.0264(16) 0.0014(14) 0.0033(13) 0.0035(14)
C52 0.0224(15) 0.0166(16) 0.0215(15) -0.0015(13) 0.0045(12) -0.0011(13)
C53 0.0243(16) 0.0225(17) 0.0198(15) -0.0033(14) 0.0013(12) -0.0004(14)
C54 0.0200(15) 0.0220(18) 0.0213(15) 0.0005(14) 0.0027(12) 0.0028(14)
C55 0.0243(16) 0.0226(18) 0.0231(16) 0.0001(14) 0.0071(13) 0.0019(14)
C56 0.0227(16) 0.0199(17) 0.0224(16) 0.0007(13) 0.0040(13) 0.0019(14)
C57 0.0212(16) 0.0195(17) 0.0240(16) -0.0013(14) 0.0020(13) 0.0025(13)
C58 0.0210(16) 0.0251(18) 0.0254(17) 0.0044(14) 0.0032(13) -0.0011(14)
C59 0.0266(17) 0.032(2) 0.0245(17) 0.0054(15) 0.0061(14) 0.0010(16)
C60 0.0247(18) 0.046(2) 0.0276(18) 0.0019(17) 0.0072(14) 0.0054(17)
C61 0.0246(18) 0.044(2) 0.0269(18) -0.0013(17) 0.0015(14) 0.0050(17)
C62 0.037(2) 0.053(3) 0.038(2) 0.012(2) 0.0029(17) -0.003(2)
C63 0.032(2) 0.036(2) 0.037(2) -0.0062(18) 0.0079(16) 0.0027(18)
C64 0.044(2) 0.057(3) 0.043(2) -0.018(2) 0.0084(19) 0.007(2)
C65 0.042(2) 0.036(2) 0.045(2) 0.004(2) 0.0068(18) -0.003(2)
C66 0.0266(18) 0.048(3) 0.034(2) 0.0075(19) 0.0004(15) -0.0021(18)
C67 0.026(2) 0.080(4) 0.058(3) 0.011(3) 0.0135(19) 0.003(2)
C68 0.034(2) 0.066(3) 0.048(3) 0.003(2) -0.0048(19) -0.022(2)
Si2 0.0213(4) 0.0385(6) 0.0222(4) 0.0011(4) 0.0049(4) -0.0007(4)
C69 0.0188(16) 0.037(2) 0.0315(18) 0.0041(16) 0.0038(13) 0.0034(15)
C70 0.034(2) 0.036(2) 0.049(2) 0.005(2) 0.0050(17) -0.0072(19)
C71 0.0258(18) 0.048(3) 0.036(2) 0.0017(19) -0.0011(15) 0.0037(18)
C72 0.0266(18) 0.051(3) 0.0246(17) 0.0068(17) 0.0061(14) -0.0024(18)
C73 0.035(2) 0.102(4) 0.030(2) 0.016(2) 0.0094(17) -0.005(3)
C74 0.0285(19) 0.052(3) 0.0261(18) 0.0067(18) -0.0013(15) -0.0014(19)
C75 0.0259(18) 0.036(2) 0.037(2) -0.0033(17) 0.0066(15) 0.0047(17)
C76 0.061(3) 0.048(3) 0.047(3) -0.011(2) 0.017(2) 0.011(2)
C77 0.037(2) 0.027(2) 0.056(3) 0.002(2) 0.0084(18) 0.0009(18)
Si3 0.0227(5) 0.0314(5) 0.0216(4) 0.0009(4) 0.0065(4) 0.0003(4)
C78 0.0257(17) 0.029(2) 0.0260(17) 0.0011(15) 0.0071(14) -0.0025(15)
C79 0.0211(15) 0.0172(16) 0.0264(17) 0.0040(14) 0.0045(13) -0.0017(13)
C80 0.0220(16) 0.0218(17) 0.0226(16) 0.0003(14) 0.0020(12) 0.0010(14)
C81 0.0256(17) 0.0251(19) 0.0340(19) 0.0023(16) 0.0086(14) -0.0025(15)
C82 0.0273(18) 0.0259(19) 0.0355(19) -0.0008(16) 0.0051(15) -0.0034(16)
C83 0.0257(17) 0.0274(19) 0.0237(16) -0.0039(15) 0.0023(13) -0.0011(15)
C84 0.0232(16) 0.032(2) 0.0208(16) 0.0018(15) 0.0048(13) -0.0048(15)
C85 0.0343(19) 0.029(2) 0.0240(17) 0.0085(15) 0.0034(14) -0.0020(16)
C86 0.0299(18) 0.0175(17) 0.0339(19) 0.0049(15) 0.0077(15) 0.0015(15)
C87 0.0177(14) 0.0242(18) 0.0197(15) 0.0028(14) 0.0009(11) 0.0005(14)
C88 0.0182(14) 0.0174(16) 0.0177(14) -0.0019(13) 0.0022(11) -0.0029(13)
C89 0.0226(15) 0.0250(18) 0.0156(14) -0.0018(13) 0.0023(12) -0.0038(14)
C90 0.0188(15) 0.0194(16) 0.0233(16) -0.0004(13) 0.0016(12) 0.0007(13)
C91 0.0243(16) 0.0177(16) 0.0231(16) -0.0017(14) 0.0023(13) -0.0002(14)
C92 0.0162(14) 0.0211(17) 0.0209(15) 0.0019(13) 0.0023(12) -0.0018(13)
C93 0.0192(15) 0.0222(17) 0.0220(15) -0.0014(14) 0.0018(12) -0.0048(13)
C94 0.0262(17) 0.0160(17) 0.0330(19) 0.0009(14) 0.0054(14) -0.0017(14)
C95 0.0264(17) 0.0196(17) 0.0268(17) 0.0009(14) 0.0036(14) -0.0014(15)
C96 0.0280(17) 0.0248(18) 0.0234(16) 0.0009(14) 0.0080(14) -0.0002(15)
C97 0.0326(19) 0.0217(18) 0.0346(19) 0.0009(16) 0.0113(15) -0.0022(16)
C98 0.037(2) 0.027(2) 0.038(2) -0.0092(17) 0.0136(17) -0.0051(17)
C99 0.038(2) 0.028(2) 0.0265(17) -0.0085(15) 0.0083(15) -0.0037(17)
C100 0.0359(19) 0.039(2) 0.0176(16) 0.0019(16) 0.0047(14) -0.0102(18)
C101 0.0316(18) 0.035(2) 0.0204(16) 0.0051(15) 0.0011(14) -0.0055(17)
C102 0.0292(18) 0.0270(19) 0.0259(17) 0.0054(15) 0.0047(14) 0.0009(15)
C103 0.0236(16) 0.0267(18) 0.0226(16) 0.0002(15) 0.0033(13) -0.0046(15)
C104 0.0275(17) 0.0233(18) 0.0195(15) -0.0033(14) 0.0076(13) -0.0051(15)
C105 0.0307(18) 0.0277(19) 0.0222(16) -0.0040(15) 0.0076(13) -0.0066(16)
C106 0.0236(16) 0.0228(18) 0.0239(16) 0.0015(14) 0.0047(13) -0.0043(14)
C107 0.0288(18) 0.0262(19) 0.0228(16) -0.0050(14) 0.0071(14) -0.0063(15)
C108 0.0241(16) 0.0243(18) 0.0201(15) 0.0003(14) 0.0048(12) -0.0032(14)
C109 0.0324(18) 0.0256(18) 0.0215(16) -0.0015(15) 0.0046(14) -0.0059(16)
C110 0.0244(16) 0.0246(18) 0.0262(17) 0.0051(15) 0.0078(13) 0.0021(15)
C111 0.0235(16) 0.0198(17) 0.0239(16) 0.0036(14) 0.0037(13) -0.0001(14)
C112 0.0181(14) 0.0214(17) 0.0208(15) 0.0019(14) 0.0013(11) -0.0005(14)
C113 0.0207(16) 0.0232(18) 0.0259(16) 0.0033(14) 0.0029(13) 0.0003(14)
C114 0.0290(18) 0.0182(17) 0.0350(19) -0.0003(16) 0.0068(14) -0.0003(15)
C115 0.0240(16) 0.0222(17) 0.0231(16) -0.0028(14) 0.0028(13) 0.0002(14)
C116 0.0244(16) 0.0261(18) 0.0239(16) 0.0019(15) 0.0034(13) 0.0020(15)
C117 0.0244(17) 0.030(2) 0.0282(17) 0.0058(15) 0.0056(14) -0.0017(15)
C118 0.0239(16) 0.0240(18) 0.0347(18) 0.0050(16) 0.0078(14) -0.0014(15)
C119 0.0192(15) 0.0201(17) 0.0270(17) 0.0018(14) 0.0009(13) 0.0010(14)
C120 0.0222(16) 0.0243(18) 0.0172(14) -0.0009(13) 0.0045(12) -0.0057(14)
C121 0.0224(16) 0.0222(17) 0.0208(15) -0.0001(14) 0.0019(12) 0.0003(14)
C122 0.0169(14) 0.0231(17) 0.0221(15) -0.0016(14) 0.0035(12) -0.0019(13)
C123 0.0185(15) 0.0220(17) 0.0260(16) 0.0013(14) 0.0047(12) -0.0022(14)
C124 0.0217(15) 0.0168(16) 0.0243(16) 0.0041(14) 0.0022(12) 0.0042(14)
C125 0.0187(15) 0.0215(17) 0.0241(16) -0.0011(14) 0.0033(12) 0.0052(13)
C126 0.0219(16) 0.0232(18) 0.0302(18) 0.0007(15) 0.0065(13) -0.0010(14)
C127 0.0224(16) 0.036(2) 0.0324(18) -0.0018(17) 0.0042(14) -0.0049(16)
C128 0.036(2) 0.035(2) 0.053(3) 0.001(2) -0.0005(19) -0.0069(19)
C129 0.049(3) 0.036(3) 0.130(5) -0.006(3) 0.001(3) 0.010(2)
C130 0.083(4) 0.065(4) 0.058(3) 0.025(3) -0.018(3) -0.014(3)
C131 0.031(2) 0.079(4) 0.045(2) -0.016(2) 0.0079(18) -0.009(2)
C132 0.040(3) 0.122(6) 0.056(3) -0.027(3) 0.013(2) 0.004(3)
C133 0.028(2) 0.110(5) 0.057(3) -0.030(3) 0.010(2) -0.010(3)
C134 0.036(2) 0.033(2) 0.0314(19) -0.0022(17) 0.0033(16) -0.0063(18)
C135 0.055(3) 0.036(3) 0.056(3) -0.003(2) 0.001(2) -0.010(2)
C136 0.045(2) 0.041(2) 0.047(2) -0.005(2) 0.0127(19) -0.001(2)
Si4 0.0239(5) 0.0364(6) 0.0264(5) -0.0050(4) 0.0016(4) -0.0043(4)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 C3 1.520(6) . ?
C1 C2 1.547(6) . ?
C1 Si1 1.894(4) . ?
C1 H1 1.0000 . ?
C2 H2 0.9800 . ?
C2 H3 0.9800 . ?
C2 H4 0.9800 . ?
C3 H5 0.9800 . ?
C3 H6 0.9800 . ?
C3 H7 0.9800 . ?
C4 C6 1.524(6) . ?
C4 C5 1.525(6) . ?
C4 Si1 1.896(4) . ?
C4 H8 1.0000 . ?
C5 H9 0.9800 . ?
C5 H10 0.9800 . ?
C5 H11 0.9800 . ?
C6 H12 0.9800 . ?
C6 H13 0.9800 . ?
C6 H14 0.9800 . ?
C7 C9 1.523(5) . ?
C7 C8 1.534(6) . ?
C7 Si1 1.896(4) . ?
C7 H15 1.0000 . ?
C8 H16 0.9800 . ?
C8 H17 0.9800 . ?
C8 H18 0.9800 . ?
C9 H19 0.9800 . ?
C9 H20 0.9800 . ?
C9 H21 0.9800 . ?
Si1 C10 1.852(4) . ?
C10 C11 1.214(5) . ?
C11 C12 1.432(5) . ?
C12 C22 1.407(5) . ?
C12 C13 1.423(5) . ?
C13 C14 1.393(5) . ?
C13 H22 0.9500 . ?
C14 C15 1.397(5) . ?
C14 H23 0.9500 . ?
C15 C23 1.393(5) . ?
C15 H24 0.9500 . ?
C16 C25 1.396(5) . ?
C16 C17 1.399(5) . ?
C16 H25 0.9500 . ?
C17 C18 1.388(5) . ?
C17 H26 0.9500 . ?
C18 C19 1.410(5) . ?
C18 H27 0.9500 . ?
C19 C24 1.406(5) . ?
C19 C26 1.434(4) . ?
C20 C24 1.501(5) . ?
C20 C22 1.527(4) . ?
C20 C52 1.617(5) . ?
C20 H28 1.0000 . ?
C21 C23 1.511(5) . ?
C21 C25 1.514(5) . ?
C21 C53 1.615(5) . ?
C21 H29 1.0000 . ?
C22 C23 1.394(5) . ?
C24 C25 1.401(4) . ?
C26 C27 1.210(5) . ?
C27 C28 1.437(5) . ?
C28 C29 1.389(5) . ?
C28 C38 1.448(5) . ?
C29 C30 1.419(5) . ?
C29 H30 0.9500 . ?
C30 C31 1.370(6) . ?
C30 H31 0.9500 . ?
C31 C39 1.433(5) . ?
C31 H32 0.9500 . ?
C32 C33 1.355(5) . ?
C32 C41 1.431(5) . ?
C32 H33 0.9500 . ?
C33 C34 1.424(5) . ?
C33 H34 0.9500 . ?
C34 C35 1.371(5) . ?
C34 H35 0.9500 . ?
C35 C42 1.425(5) . ?
C35 C40 1.451(5) . ?
C36 C38 1.393(5) . ?
C36 C40 1.408(5) . ?
C36 H36 0.9500 . ?
C37 C39 1.384(5) . ?
C37 C41 1.395(5) . ?
C37 H37 0.9500 . ?
C38 C39 1.440(4) . ?
C40 C41 1.437(5) . ?
C42 C43 1.206(5) . ?
C43 C44 1.443(5) . ?
C44 C54 1.392(5) . ?
C44 C45 1.408(5) . ?
C45 C46 1.387(5) . ?
C45 H38 0.9500 . ?
C46 C47 1.395(5) . ?
C46 H39 0.9500 . ?
C47 C55 1.398(5) . ?
C47 H40 0.9500 . ?
C48 C57 1.388(5) . ?
C48 C49 1.397(5) . ?
C48 H41 0.9500 . ?
C49 C50 1.375(5) . ?
C49 H42 0.9500 . ?
C50 C51 1.416(5) . ?
C50 H43 0.9500 . ?
C51 C56 1.402(5) . ?
C51 C58 1.438(5) . ?
C52 C54 1.514(5) . ?
C52 C56 1.521(5) . ?
C52 H44 1.0000 . ?
C53 C55 1.515(5) . ?
C53 C57 1.518(5) . ?
C53 H45 1.0000 . ?
C54 C55 1.397(4) . ?
C56 C57 1.404(4) . ?
C58 C59 1.212(5) . ?
C59 Si2 1.853(4) . ?
C60 C61 1.523(5) . ?
C60 C62 1.539(6) . ?
C60 Si2 1.891(4) . ?
C60 H46 1.0000 . ?
C61 H47 0.9800 . ?
C61 H48 0.9800 . ?
C61 H49 0.9800 . ?
C62 H50 0.9800 . ?
C62 H51 0.9800 . ?
C62 H52 0.9800 . ?
C63 C65 1.519(6) . ?
C63 C64 1.546(5) . ?
C63 Si2 1.897(4) . ?
C63 H53 1.0000 . ?
C64 H54 0.9800 . ?
C64 H55 0.9800 . ?
C64 H56 0.9800 . ?
C65 H57 0.9800 . ?
C65 H58 0.9800 . ?
C65 H59 0.9800 . ?
C66 C68 1.534(7) . ?
C66 C67 1.537(6) . ?
C66 Si2 1.900(4) . ?
C66 H60 1.0000 . ?
C67 H61 0.9800 . ?
C67 H62 0.9800 . ?
C67 H63 0.9800 . ?
C68 H64 0.9800 . ?
C68 H65 0.9800 . ?
C68 H66 0.9800 . ?
C69 C70 1.544(6) . ?
C69 C71 1.550(5) . ?
C69 Si3 1.886(4) . ?
C69 H67 1.0000 . ?
C70 H68 0.9800 . ?
C70 H69 0.9800 . ?
C70 H70 0.9800 . ?
C71 H71 0.9800 . ?
C71 H72 0.9800 . ?
C71 H73 0.9800 . ?
C72 C74 1.523(5) . ?
C72 C73 1.557(5) . ?
C72 Si3 1.892(4) . ?
C72 H74 1.0000 . ?
C73 H75 0.9800 . ?
C73 H76 0.9800 . ?
C73 H77 0.9800 . ?
C74 H78 0.9800 . ?
C74 H79 0.9800 . ?
C74 H80 0.9800 . ?
C75 C76 1.528(5) . ?
C75 C77 1.531(6) . ?
C75 Si3 1.897(4) . ?
C75 H81 1.0000 . ?
C76 H82 0.9800 . ?
C76 H83 0.9800 . ?
C76 H84 0.9800 . ?
C77 H85 0.9800 . ?
C77 H86 0.9800 . ?
C77 H87 0.9800 . ?
Si3 C78 1.856(4) . ?
C78 C79 1.197(5) . ?
C79 C80 1.448(5) . ?
C80 C90 1.402(5) . ?
C80 C81 1.414(5) . ?
C81 C82 1.374(5) . ?
C81 H88 0.9500 . ?
C82 C83 1.386(5) . ?
C82 H89 0.9500 . ?
C83 C91 1.392(5) . ?
C83 H90 0.9500 . ?
C84 C85 1.383(5) . ?
C84 C93 1.391(5) . ?
C84 H91 0.9500 . ?
C85 C86 1.378(5) . ?
C85 H92 0.9500 . ?
C86 C87 1.404(5) . ?
C86 H93 0.9500 . ?
C87 C92 1.395(5) . ?
C87 C94 1.430(5) . ?
C88 C92 1.512(4) . ?
C88 C90 1.518(4) . ?
C88 C120 1.614(4) . ?
C88 H94 1.0000 . ?
C89 C93 1.514(5) . ?
C89 C91 1.525(5) . ?
C89 C121 1.613(5) . ?
C89 H95 1.0000 . ?
C90 C91 1.402(4) . ?
C92 C93 1.405(4) . ?
C94 C95 1.205(5) . ?
C95 C96 1.437(5) . ?
C96 C97 1.368(5) . ?
C96 C106 1.445(5) . ?
C97 C98 1.402(5) . ?
C97 H96 0.9500 . ?
C98 C99 1.360(5) . ?
C98 H97 0.9500 . ?
C99 C107 1.422(5) . ?
C99 H98 0.9500 . ?
C100 C101 1.359(6) . ?
C100 C109 1.436(5) . ?
C100 H99 0.9500 . ?
C101 C102 1.418(5) . ?
C101 H100 0.9500 . ?
C102 C103 1.399(5) . ?
C102 H101 0.9500 . ?
C103 C110 1.426(5) . ?
C103 C108 1.444(5) . ?
C104 C108 1.398(5) . ?
C104 C106 1.408(5) . ?
C104 H102 0.9500 . ?
C105 C109 1.389(5) . ?
C105 C107 1.407(5) . ?
C105 H103 0.9500 . ?
C106 C107 1.447(5) . ?
C108 C109 1.443(5) . ?
C110 C111 1.192(5) . ?
C111 C112 1.445(5) . ?
C112 C122 1.403(5) . ?
C112 C113 1.404(5) . ?
C113 C114 1.389(5) . ?
C113 H104 0.9500 . ?
C114 C115 1.396(5) . ?
C114 H105 0.9500 . ?
C115 C123 1.389(5) . ?
C115 H106 0.9500 . ?
C116 C125 1.377(5) . ?
C116 C117 1.418(5) . ?
C116 H107 0.9500 . ?
C117 C118 1.397(5) . ?
C117 H108 0.9500 . ?
C118 C119 1.412(5) . ?
C118 H109 0.9500 . ?
C119 C124 1.394(5) . ?
C119 C126 1.451(5) . ?
C120 C122 1.502(5) . ?
C120 C124 1.520(4) . ?
C120 H110 1.0000 . ?
C121 C123 1.524(5) . ?
C121 C125 1.529(5) . ?
C121 H111 1.0000 . ?
C122 C123 1.399(4) . ?
C124 C125 1.405(4) . ?
C126 C127 1.210(5) . ?
C127 Si4 1.842(4) . ?
C128 C129 1.529(7) . ?
C128 C130 1.538(7) . ?
C128 Si4 1.884(5) . ?
C128 H112 1.0000 . ?
C129 H113 0.9800 . ?
C129 H114 0.9800 . ?
C129 H115 0.9800 . ?
C130 H116 0.9800 . ?
C130 H117 0.9800 . ?
C130 H118 0.9800 . ?
C131 C132 1.488(7) . ?
C131 C133 1.521(6) . ?
C131 Si4 1.893(4) . ?
C131 H119 1.0000 . ?
C132 H120 0.9800 . ?
C132 H121 0.9800 . ?
C132 H122 0.9800 . ?
C133 H123 0.9800 . ?
C133 H124 0.9800 . ?
C133 H125 0.9800 . ?
C134 C135 1.532(6) . ?
C134 C136 1.536(6) . ?
C134 Si4 1.880(4) . ?
C134 H126 1.0000 . ?
C135 H127 0.9800 . ?
C135 H128 0.9800 . ?
C135 H129 0.9800 . ?
C136 H130 0.9800 . ?
C136 H131 0.9800 . ?
C136 H132 0.9800 . ?

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
C3 C1 C2 109.9(4) . . ?
C3 C1 Si1 114.0(3) . . ?
C2 C1 Si1 112.8(3) . . ?
C3 C1 H1 106.5 . . ?
C2 C1 H1 106.5 . . ?
Si1 C1 H1 106.5 . . ?
C1 C2 H2 109.5 . . ?
C1 C2 H3 109.5 . . ?
H2 C2 H3 109.5 . . ?
C1 C2 H4 109.5 . . ?
H2 C2 H4 109.5 . . ?
H3 C2 H4 109.5 . . ?
C1 C3 H5 109.5 . . ?
C1 C3 H6 109.5 . . ?
H5 C3 H6 109.5 . . ?
C1 C3 H7 109.5 . . ?
H5 C3 H7 109.5 . . ?
H6 C3 H7 109.5 . . ?
C6 C4 C5 109.5(3) . . ?
C6 C4 Si1 109.9(3) . . ?
C5 C4 Si1 114.4(3) . . ?
C6 C4 H8 107.6 . . ?
C5 C4 H8 107.6 . . ?
Si1 C4 H8 107.6 . . ?
C4 C5 H9 109.5 . . ?
C4 C5 H10 109.5 . . ?
H9 C5 H10 109.5 . . ?
C4 C5 H11 109.5 . . ?
H9 C5 H11 109.5 . . ?
H10 C5 H11 109.5 . . ?
C4 C6 H12 109.5 . . ?
C4 C6 H13 109.5 . . ?
H12 C6 H13 109.5 . . ?
C4 C6 H14 109.5 . . ?
H12 C6 H14 109.5 . . ?
H13 C6 H14 109.5 . . ?
C9 C7 C8 110.9(3) . . ?
C9 C7 Si1 112.1(3) . . ?
C8 C7 Si1 114.0(3) . . ?
C9 C7 H15 106.4 . . ?
C8 C7 H15 106.4 . . ?
Si1 C7 H15 106.4 . . ?
C7 C8 H16 109.5 . . ?
C7 C8 H17 109.5 . . ?
H16 C8 H17 109.5 . . ?
C7 C8 H18 109.5 . . ?
H16 C8 H18 109.5 . . ?
H17 C8 H18 109.5 . . ?
C7 C9 H19 109.5 . . ?
C7 C9 H20 109.5 . . ?
H19 C9 H20 109.5 . . ?
C7 C9 H21 109.5 . . ?
H19 C9 H21 109.5 . . ?
H20 C9 H21 109.5 . . ?
C10 Si1 C1 106.58(17) . . ?
C10 Si1 C7 109.62(17) . . ?
C1 Si1 C7 112.55(19) . . ?
C10 Si1 C4 104.23(17) . . ?
C1 Si1 C4 115.31(19) . . ?
C7 Si1 C4 108.12(19) . . ?
C11 C10 Si1 163.2(3) . . ?
C10 C11 C12 169.8(4) . . ?
C22 C12 C13 118.8(3) . . ?
C22 C12 C11 124.3(3) . . ?
C13 C12 C11 116.6(3) . . ?
C14 C13 C12 120.3(3) . . ?
C14 C13 H22 119.8 . . ?
C12 C13 H22 119.8 . . ?
C13 C14 C15 120.0(3) . . ?
C13 C14 H23 120.0 . . ?
C15 C14 H23 120.0 . . ?
C23 C15 C14 120.1(3) . . ?
C23 C15 H24 119.9 . . ?
C14 C15 H24 119.9 . . ?
C25 C16 C17 120.4(3) . . ?
C25 C16 H25 119.8 . . ?
C17 C16 H25 119.8 . . ?
C18 C17 C16 120.2(3) . . ?
C18 C17 H26 119.9 . . ?
C16 C17 H26 119.9 . . ?
C17 C18 C19 120.1(3) . . ?
C17 C18 H27 119.9 . . ?
C19 C18 H27 119.9 . . ?
C24 C19 C18 119.3(3) . . ?
C24 C19 C26 118.4(3) . . ?
C18 C19 C26 122.3(3) . . ?
C24 C20 C22 106.8(3) . . ?
C24 C20 C52 109.9(3) . . ?
C22 C20 C52 114.6(3) . . ?
C24 C20 H28 108.5 . . ?
C22 C20 H28 108.5 . . ?
C52 C20 H28 108.5 . . ?
C23 C21 C25 107.2(3) . . ?
C23 C21 C53 112.8(3) . . ?
C25 C21 C53 112.5(3) . . ?
C23 C21 H29 108.1 . . ?
C25 C21 H29 108.1 . . ?
C53 C21 H29 108.1 . . ?
C23 C22 C12 120.0(3) . . ?
C23 C22 C20 117.2(3) . . ?
C12 C22 C20 122.6(3) . . ?
C15 C23 C22 120.6(3) . . ?
C15 C23 C21 122.3(3) . . ?
C22 C23 C21 117.0(3) . . ?
C25 C24 C19 120.3(3) . . ?
C25 C24 C20 117.2(3) . . ?
C19 C24 C20 122.4(3) . . ?
C16 C25 C24 119.6(3) . . ?
C16 C25 C21 123.3(3) . . ?
C24 C25 C21 117.1(3) . . ?
C27 C26 C19 174.0(4) . . ?
C26 C27 C28 175.6(4) . . ?
C29 C28 C27 117.5(3) . . ?
C29 C28 C38 120.2(3) . . ?
C27 C28 C38 122.2(3) . . ?
C28 C29 C30 120.9(3) . . ?
C28 C29 H30 119.5 . . ?
C30 C29 H30 119.5 . . ?
C31 C30 C29 120.8(3) . . ?
C31 C30 H31 119.6 . . ?
C29 C30 H31 119.6 . . ?
C30 C31 C39 120.3(3) . . ?
C30 C31 H32 119.9 . . ?
C39 C31 H32 119.9 . . ?
C33 C32 C41 122.1(3) . . ?
C33 C32 H33 119.0 . . ?
C41 C32 H33 119.0 . . ?
C32 C33 C34 119.2(4) . . ?
C32 C33 H34 120.4 . . ?
C34 C33 H34 120.4 . . ?
C35 C34 C33 121.7(3) . . ?
C35 C34 H35 119.2 . . ?
C33 C34 H35 119.2 . . ?
C34 C35 C42 117.9(3) . . ?
C34 C35 C40 120.3(3) . . ?
C42 C35 C40 121.8(3) . . ?
C38 C36 C40 122.0(3) . . ?
C38 C36 H36 119.0 . . ?
C40 C36 H36 119.0 . . ?
C39 C37 C41 122.5(3) . . ?
C39 C37 H37 118.7 . . ?
C41 C37 H37 118.7 . . ?
C36 C38 C39 118.7(3) . . ?
C36 C38 C28 123.5(3) . . ?
C39 C38 C28 117.7(3) . . ?
C37 C39 C31 120.7(3) . . ?
C37 C39 C38 119.2(3) . . ?
C31 C39 C38 120.1(3) . . ?
C36 C40 C41 118.7(3) . . ?
C36 C40 C35 123.7(3) . . ?
C41 C40 C35 117.6(3) . . ?
C37 C41 C32 122.0(3) . . ?
C37 C41 C40 118.8(3) . . ?
C32 C41 C40 119.0(3) . . ?
C43 C42 C35 173.8(4) . . ?
C42 C43 C44 173.2(4) . . ?
C54 C44 C45 120.0(3) . . ?
C54 C44 C43 118.5(3) . . ?
C45 C44 C43 121.5(3) . . ?
C46 C45 C44 119.5(3) . . ?
C46 C45 H38 120.3 . . ?
C44 C45 H38 120.3 . . ?
C45 C46 C47 120.4(3) . . ?
C45 C46 H39 119.8 . . ?
C47 C46 H39 119.8 . . ?
C46 C47 C55 120.3(3) . . ?
C46 C47 H40 119.9 . . ?
C55 C47 H40 119.9 . . ?
C57 C48 C49 120.1(3) . . ?
C57 C48 H41 119.9 . . ?
C49 C48 H41 119.9 . . ?
C50 C49 C48 119.3(3) . . ?
C50 C49 H42 120.3 . . ?
C48 C49 H42 120.3 . . ?
C49 C50 C51 121.4(3) . . ?
C49 C50 H43 119.3 . . ?
C51 C50 H43 119.3 . . ?
C56 C51 C50 119.1(3) . . ?
C56 C51 C58 123.8(3) . . ?
C50 C51 C58 116.4(3) . . ?
C54 C52 C56 108.5(3) . . ?
C54 C52 C20 109.2(3) . . ?
C56 C52 C20 113.4(3) . . ?
C54 C52 H44 108.5 . . ?
C56 C52 H44 108.5 . . ?
C20 C52 H44 108.5 . . ?
C55 C53 C57 108.6(3) . . ?
C55 C53 C21 112.2(3) . . ?
C57 C53 C21 110.6(3) . . ?
C55 C53 H45 108.4 . . ?
C57 C53 H45 108.4 . . ?
C21 C53 H45 108.4 . . ?
C44 C54 C55 120.3(3) . . ?
C44 C54 C52 121.9(3) . . ?
C55 C54 C52 117.8(3) . . ?
C54 C55 C47 119.4(3) . . ?
C54 C55 C53 116.6(3) . . ?
C47 C55 C53 123.9(3) . . ?
C51 C56 C57 118.8(3) . . ?
C51 C56 C52 123.7(3) . . ?
C57 C56 C52 117.4(3) . . ?
C48 C57 C56 121.1(3) . . ?
C48 C57 C53 122.4(3) . . ?
C56 C57 C53 116.5(3) . . ?
C59 C58 C51 167.8(4) . . ?
C58 C59 Si2 165.6(3) . . ?
C61 C60 C62 109.8(3) . . ?
C61 C60 Si2 111.0(3) . . ?
C62 C60 Si2 113.0(3) . . ?
C61 C60 H46 107.6 . . ?
C62 C60 H46 107.6 . . ?
Si2 C60 H46 107.6 . . ?
C60 C61 H47 109.5 . . ?
C60 C61 H48 109.5 . . ?
H47 C61 H48 109.5 . . ?
C60 C61 H49 109.5 . . ?
H47 C61 H49 109.5 . . ?
H48 C61 H49 109.5 . . ?
C60 C62 H50 109.5 . . ?
C60 C62 H51 109.5 . . ?
H50 C62 H51 109.5 . . ?
C60 C62 H52 109.5 . . ?
H50 C62 H52 109.5 . . ?
H51 C62 H52 109.5 . . ?
C65 C63 C64 110.2(4) . . ?
C65 C63 Si2 111.8(3) . . ?
C64 C63 Si2 112.9(3) . . ?
C65 C63 H53 107.2 . . ?
C64 C63 H53 107.2 . . ?
Si2 C63 H53 107.2 . . ?
C63 C64 H54 109.5 . . ?
C63 C64 H55 109.5 . . ?
H54 C64 H55 109.5 . . ?
C63 C64 H56 109.5 . . ?
H54 C64 H56 109.5 . . ?
H55 C64 H56 109.5 . . ?
C63 C65 H57 109.5 . . ?
C63 C65 H58 109.5 . . ?
H57 C65 H58 109.5 . . ?
C63 C65 H59 109.5 . . ?
H57 C65 H59 109.5 . . ?
H58 C65 H59 109.5 . . ?
C68 C66 C67 111.1(4) . . ?
C68 C66 Si2 114.6(3) . . ?
C67 C66 Si2 111.2(3) . . ?
C68 C66 H60 106.4 . . ?
C67 C66 H60 106.4 . . ?
Si2 C66 H60 106.4 . . ?
C66 C67 H61 109.5 . . ?
C66 C67 H62 109.5 . . ?
H61 C67 H62 109.5 . . ?
C66 C67 H63 109.5 . . ?
H61 C67 H63 109.5 . . ?
H62 C67 H63 109.5 . . ?
C66 C68 H64 109.5 . . ?
C66 C68 H65 109.5 . . ?
H64 C68 H65 109.5 . . ?
C66 C68 H66 109.5 . . ?
H64 C68 H66 109.5 . . ?
H65 C68 H66 109.5 . . ?
C59 Si2 C60 106.61(17) . . ?
C59 Si2 C63 108.33(18) . . ?
C60 Si2 C63 111.57(19) . . ?
C59 Si2 C66 108.05(17) . . ?
C60 Si2 C66 111.94(18) . . ?
C63 Si2 C66 110.15(19) . . ?
C70 C69 C71 108.7(3) . . ?
C70 C69 Si3 110.9(3) . . ?
C71 C69 Si3 113.0(3) . . ?
C70 C69 H67 108.0 . . ?
C71 C69 H67 108.0 . . ?
Si3 C69 H67 108.0 . . ?
C74 C72 C73 109.9(3) . . ?
C74 C72 Si3 113.2(3) . . ?
C73 C72 Si3 114.0(3) . . ?
C74 C72 H74 106.4 . . ?
C73 C72 H74 106.4 . . ?
Si3 C72 H74 106.4 . . ?
C76 C75 C77 110.5(3) . . ?
C76 C75 Si3 112.8(3) . . ?
C77 C75 Si3 113.5(3) . . ?
C76 C75 H81 106.5 . . ?
C77 C75 H81 106.5 . . ?
Si3 C75 H81 106.5 . . ?
C78 Si3 C69 103.47(17) . . ?
C78 Si3 C72 109.79(17) . . ?
C69 Si3 C72 107.84(17) . . ?
C78 Si3 C75 107.58(17) . . ?
C69 Si3 C75 116.35(17) . . ?
C72 Si3 C75 111.43(19) . . ?
C79 C78 Si3 161.3(3) . . ?
C78 C79 C80 169.1(4) . . ?
C90 C80 C81 119.1(3) . . ?
C90 C80 C79 124.5(3) . . ?
C81 C80 C79 116.2(3) . . ?
C82 C81 C80 120.9(3) . . ?
C82 C81 H88 119.6 . . ?
C80 C81 H88 119.6 . . ?
C81 C82 C83 120.3(3) . . ?
C81 C82 H89 119.9 . . ?
C83 C82 H89 119.9 . . ?
C82 C83 C91 119.6(3) . . ?
C82 C83 H90 120.2 . . ?
C91 C83 H90 120.2 . . ?
C85 C84 C93 120.6(3) . . ?
C85 C84 H91 119.7 . . ?
C93 C84 H91 119.7 . . ?
C86 C85 C84 120.8(3) . . ?
C86 C85 H92 119.6 . . ?
C84 C85 H92 119.6 . . ?
C85 C86 C87 120.0(3) . . ?
C85 C86 H93 120.0 . . ?
C87 C86 H93 120.0 . . ?
C92 C87 C86 119.1(3) . . ?
C92 C87 C94 119.0(3) . . ?
C86 C87 C94 121.8(3) . . ?
C92 C88 C90 108.6(3) . . ?
C92 C88 C120 109.1(2) . . ?
C90 C88 C120 113.8(3) . . ?
C92 C88 H94 108.4 . . ?
C90 C88 H94 108.4 . . ?
C120 C88 H94 108.4 . . ?
C93 C89 C91 108.4(3) . . ?
C93 C89 C121 112.3(3) . . ?
C91 C89 C121 111.2(3) . . ?
C93 C89 H95 108.3 . . ?
C91 C89 H95 108.3 . . ?
C121 C89 H95 108.3 . . ?
C80 C90 C91 118.9(3) . . ?
C80 C90 C88 123.8(3) . . ?
C91 C90 C88 117.3(3) . . ?
C83 C91 C90 121.2(3) . . ?
C83 C91 C89 122.3(3) . . ?
C90 C91 C89 116.5(3) . . ?
C87 C92 C93 120.6(3) . . ?
C87 C92 C88 122.3(3) . . ?
C93 C92 C88 117.0(3) . . ?
C84 C93 C92 118.8(3) . . ?
C84 C93 C89 124.2(3) . . ?
C92 C93 C89 117.0(3) . . ?
C95 C94 C87 174.8(4) . . ?
C94 C95 C96 175.1(4) . . ?
C97 C96 C95 119.1(3) . . ?
C97 C96 C106 120.6(3) . . ?
C95 C96 C106 120.3(3) . . ?
C96 C97 C98 121.5(4) . . ?
C96 C97 H96 119.2 . . ?
C98 C97 H96 119.2 . . ?
C99 C98 C97 120.4(4) . . ?
C99 C98 H97 119.8 . . ?
C97 C98 H97 119.8 . . ?
C98 C99 C107 120.8(3) . . ?
C98 C99 H98 119.6 . . ?
C107 C99 H98 119.6 . . ?
C101 C100 C109 121.0(3) . . ?
C101 C100 H99 119.5 . . ?
C109 C100 H99 119.5 . . ?
C100 C101 C102 120.4(3) . . ?
C100 C101 H100 119.8 . . ?
C102 C101 H100 119.8 . . ?
C103 C102 C101 121.7(3) . . ?
C103 C102 H101 119.1 . . ?
C101 C102 H101 119.1 . . ?
C102 C103 C110 117.3(3) . . ?
C102 C103 C108 118.9(3) . . ?
C110 C103 C108 123.8(3) . . ?
C108 C104 C106 122.5(3) . . ?
C108 C104 H102 118.8 . . ?
C106 C104 H102 118.8 . . ?
C109 C105 C107 122.5(3) . . ?
C109 C105 H103 118.8 . . ?
C107 C105 H103 118.8 . . ?
C104 C106 C96 124.3(3) . . ?
C104 C106 C107 119.1(3) . . ?
C96 C106 C107 116.7(3) . . ?
C105 C107 C99 122.0(3) . . ?
C105 C107 C106 118.0(3) . . ?
C99 C107 C106 119.8(3) . . ?
C104 C108 C103 123.2(3) . . ?
C104 C108 C109 118.0(3) . . ?
C103 C108 C109 118.7(3) . . ?
C105 C109 C100 120.8(3) . . ?
C105 C109 C108 119.9(3) . . ?
C100 C109 C108 119.3(3) . . ?
C111 C110 C103 174.5(4) . . ?
C110 C111 C112 173.6(4) . . ?
C122 C112 C113 119.3(3) . . ?
C122 C112 C111 117.6(3) . . ?
C113 C112 C111 123.1(3) . . ?
C114 C113 C112 120.1(3) . . ?
C114 C113 H104 120.0 . . ?
C112 C113 H104 120.0 . . ?
C113 C114 C115 120.5(3) . . ?
C113 C114 H105 119.8 . . ?
C115 C114 H105 119.8 . . ?
C123 C115 C114 119.9(3) . . ?
C123 C115 H106 120.1 . . ?
C114 C115 H106 120.1 . . ?
C125 C116 C117 119.3(3) . . ?
C125 C116 H107 120.4 . . ?
C117 C116 H107 120.4 . . ?
C118 C117 C116 120.0(3) . . ?
C118 C117 H108 120.0 . . ?
C116 C117 H108 120.0 . . ?
C117 C118 C119 119.6(3) . . ?
C117 C118 H109 120.2 . . ?
C119 C118 H109 120.2 . . ?
C124 C119 C118 120.3(3) . . ?
C124 C119 C126 123.5(3) . . ?
C118 C119 C126 115.9(3) . . ?
C122 C120 C124 108.0(3) . . ?
C122 C120 C88 110.0(3) . . ?
C124 C120 C88 114.4(3) . . ?
C122 C120 H110 108.1 . . ?
C124 C120 H110 108.1 . . ?
C88 C120 H110 108.1 . . ?
C123 C121 C125 107.6(3) . . ?
C123 C121 C89 113.4(3) . . ?
C125 C121 C89 111.0(3) . . ?
C123 C121 H111 108.2 . . ?
C125 C121 H111 108.2 . . ?
C89 C121 H111 108.2 . . ?
C123 C122 C112 120.2(3) . . ?
C123 C122 C120 117.5(3) . . ?
C112 C122 C120 122.3(3) . . ?
C115 C123 C122 120.1(3) . . ?
C115 C123 C121 123.3(3) . . ?
C122 C123 C121 116.5(3) . . ?
C119 C124 C125 119.0(3) . . ?
C119 C124 C120 123.7(3) . . ?
C125 C124 C120 117.1(3) . . ?
C116 C125 C124 121.6(3) . . ?
C116 C125 C121 122.1(3) . . ?
C124 C125 C121 116.3(3) . . ?
C127 C126 C119 169.1(4) . . ?
C126 C127 Si4 159.4(3) . . ?
C129 C128 C130 111.7(5) . . ?
C129 C128 Si4 113.8(4) . . ?
C130 C128 Si4 114.7(3) . . ?
C129 C128 H112 105.2 . . ?
C130 C128 H112 105.2 . . ?
Si4 C128 H112 105.2 . . ?
C132 C131 C133 110.7(4) . . ?
C132 C131 Si4 117.5(4) . . ?
C133 C131 Si4 111.4(3) . . ?
C132 C131 H119 105.4 . . ?
C133 C131 H119 105.4 . . ?
Si4 C131 H119 105.4 . . ?
C135 C134 C136 109.3(4) . . ?
C135 C134 Si4 116.1(3) . . ?
C136 C134 Si4 112.4(3) . . ?
C135 C134 H126 106.1 . . ?
C136 C134 H126 106.1 . . ?
Si4 C134 H126 106.1 . . ?
C127 Si4 C134 113.90(19) . . ?
C127 Si4 C128 106.08(19) . . ?
C134 Si4 C128 108.93(19) . . ?
C127 Si4 C131 103.60(18) . . ?
C134 Si4 C131 106.4(2) . . ?
C128 Si4 C131 118.1(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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 C1 Si1 C10 -48.6(3) . . . . ?
C2 C1 Si1 C10 -174.8(3) . . . . ?
C3 C1 Si1 C7 -168.8(3) . . . . ?
C2 C1 Si1 C7 65.0(4) . . . . ?
C3 C1 Si1 C4 66.5(3) . . . . ?
C2 C1 Si1 C4 -59.7(4) . . . . ?
C9 C7 Si1 C10 -73.0(3) . . . . ?
C8 C7 Si1 C10 159.9(3) . . . . ?
C9 C7 Si1 C1 45.5(3) . . . . ?
C8 C7 Si1 C1 -81.6(3) . . . . ?
C9 C7 Si1 C4 174.0(3) . . . . ?
C8 C7 Si1 C4 46.9(3) . . . . ?
C6 C4 Si1 C10 -66.5(3) . . . . ?
C5 C4 Si1 C10 57.1(3) . . . . ?
C6 C4 Si1 C1 177.0(3) . . . . ?
C5 C4 Si1 C1 -59.4(4) . . . . ?
C6 C4 Si1 C7 50.0(3) . . . . ?
C5 C4 Si1 C7 173.7(3) . . . . ?
C1 Si1 C10 C11 100.7(11) . . . . ?
C7 Si1 C10 C11 -137.2(11) . . . . ?
C4 Si1 C10 C11 -21.7(12) . . . . ?
Si1 C10 C11 C12 20(3) . . . . ?
C10 C11 C12 C22 -139(2) . . . . ?
C10 C11 C12 C13 35(2) . . . . ?
C22 C12 C13 C14 2.2(5) . . . . ?
C11 C12 C13 C14 -171.6(3) . . . . ?
C12 C13 C14 C15 0.5(6) . . . . ?
C13 C14 C15 C23 -0.8(5) . . . . ?
C25 C16 C17 C18 -3.4(5) . . . . ?
C16 C17 C18 C19 1.6(5) . . . . ?
C17 C18 C19 C24 1.9(5) . . . . ?
C17 C18 C19 C26 -175.6(3) . . . . ?
C13 C12 C22 C23 -4.7(5) . . . . ?
C11 C12 C22 C23 168.7(3) . . . . ?
C13 C12 C22 C20 -178.9(3) . . . . ?
C11 C12 C22 C20 -5.5(5) . . . . ?
C24 C20 C22 C23 -46.5(4) . . . . ?
C52 C20 C22 C23 75.4(4) . . . . ?
C24 C20 C22 C12 127.9(3) . . . . ?
C52 C20 C22 C12 -110.2(3) . . . . ?
C14 C15 C23 C22 -1.6(5) . . . . ?
C14 C15 C23 C21 177.0(3) . . . . ?
C12 C22 C23 C15 4.4(5) . . . . ?
C20 C22 C23 C15 179.0(3) . . . . ?
C12 C22 C23 C21 -174.2(3) . . . . ?
C20 C22 C23 C21 0.3(4) . . . . ?
C25 C21 C23 C15 -132.9(3) . . . . ?
C53 C21 C23 C15 102.7(4) . . . . ?
C25 C21 C23 C22 45.7(4) . . . . ?
C53 C21 C23 C22 -78.7(4) . . . . ?
C18 C19 C24 C25 -3.6(5) . . . . ?
C26 C19 C24 C25 174.0(3) . . . . ?
C18 C19 C24 C20 178.9(3) . . . . ?
C26 C19 C24 C20 -3.5(5) . . . . ?
C22 C20 C24 C25 46.3(4) . . . . ?
C52 C20 C24 C25 -78.5(3) . . . . ?
C22 C20 C24 C19 -136.0(3) . . . . ?
C52 C20 C24 C19 99.2(3) . . . . ?
C17 C16 C25 C24 1.7(5) . . . . ?
C17 C16 C25 C21 -178.4(3) . . . . ?
C19 C24 C25 C16 1.8(5) . . . . ?
C20 C24 C25 C16 179.5(3) . . . . ?
C19 C24 C25 C21 -178.2(3) . . . . ?
C20 C24 C25 C21 -0.5(4) . . . . ?
C23 C21 C25 C16 134.1(3) . . . . ?
C53 C21 C25 C16 -101.3(4) . . . . ?
C23 C21 C25 C24 -46.0(4) . . . . ?
C53 C21 C25 C24 78.6(4) . . . . ?
C24 C19 C26 C27 -22(4) . . . . ?
C18 C19 C26 C27 156(3) . . . . ?
C19 C26 C27 C28 171(3) . . . . ?
C26 C27 C28 C29 22(5) . . . . ?
C26 C27 C28 C38 -156(5) . . . . ?
C27 C28 C29 C30 -177.9(3) . . . . ?
C38 C28 C29 C30 -0.2(5) . . . . ?
C28 C29 C30 C31 0.3(6) . . . . ?
C29 C30 C31 C39 -0.4(5) . . . . ?
C41 C32 C33 C34 -0.6(5) . . . . ?
C32 C33 C34 C35 0.2(5) . . . . ?
C33 C34 C35 C42 -178.6(3) . . . . ?
C33 C34 C35 C40 2.1(5) . . . . ?
C40 C36 C38 C39 -2.4(5) . . . . ?
C40 C36 C38 C28 179.2(3) . . . . ?
C29 C28 C38 C36 178.5(3) . . . . ?
C27 C28 C38 C36 -3.9(5) . . . . ?
C29 C28 C38 C39 0.1(5) . . . . ?
C27 C28 C38 C39 177.7(3) . . . . ?
C41 C37 C39 C31 -179.9(3) . . . . ?
C41 C37 C39 C38 -0.4(5) . . . . ?
C30 C31 C39 C37 179.8(3) . . . . ?
C30 C31 C39 C38 0.4(5) . . . . ?
C36 C38 C39 C37 1.8(5) . . . . ?
C28 C38 C39 C37 -179.7(3) . . . . ?
C36 C38 C39 C31 -178.7(3) . . . . ?
C28 C38 C39 C31 -0.2(5) . . . . ?
C38 C36 C40 C41 1.5(5) . . . . ?
C38 C36 C40 C35 -178.2(3) . . . . ?
C34 C35 C40 C36 175.9(3) . . . . ?
C42 C35 C40 C36 -3.4(5) . . . . ?
C34 C35 C40 C41 -3.8(5) . . . . ?
C42 C35 C40 C41 176.9(3) . . . . ?
C39 C37 C41 C32 175.7(3) . . . . ?
C39 C37 C41 C40 -0.5(5) . . . . ?
C33 C32 C41 C37 -177.4(3) . . . . ?
C33 C32 C41 C40 -1.2(5) . . . . ?
C36 C40 C41 C37 0.0(5) . . . . ?
C35 C40 C41 C37 179.7(3) . . . . ?
C36 C40 C41 C32 -176.4(3) . . . . ?
C35 C40 C41 C32 3.4(5) . . . . ?
C34 C35 C42 C43 10(4) . . . . ?
C40 C35 C42 C43 -170(3) . . . . ?
C35 C42 C43 C44 170(2) . . . . ?
C42 C43 C44 C54 -9(3) . . . . ?
C42 C43 C44 C45 170(3) . . . . ?
C54 C44 C45 C46 -1.5(5) . . . . ?
C43 C44 C45 C46 179.8(3) . . . . ?
C44 C45 C46 C47 2.7(5) . . . . ?
C45 C46 C47 C55 -1.0(5) . . . . ?
C57 C48 C49 C50 -3.3(5) . . . . ?
C48 C49 C50 C51 1.5(6) . . . . ?
C49 C50 C51 C56 1.8(5) . . . . ?
C49 C50 C51 C58 -169.0(3) . . . . ?
C24 C20 C52 C54 123.4(3) . . . . ?
C22 C20 C52 C54 3.2(4) . . . . ?
C24 C20 C52 C56 2.2(4) . . . . ?
C22 C20 C52 C56 -118.0(3) . . . . ?
C23 C21 C53 C55 2.2(4) . . . . ?
C25 C21 C53 C55 -119.3(3) . . . . ?
C23 C21 C53 C57 123.6(3) . . . . ?
C25 C21 C53 C57 2.2(4) . . . . ?
C45 C44 C54 C55 -1.4(5) . . . . ?
C43 C44 C54 C55 177.4(3) . . . . ?
C45 C44 C54 C52 -178.9(3) . . . . ?
C43 C44 C54 C52 -0.1(5) . . . . ?
C56 C52 C54 C44 -139.8(3) . . . . ?
C20 C52 C54 C44 96.1(4) . . . . ?
C56 C52 C54 C55 42.7(4) . . . . ?
C20 C52 C54 C55 -81.5(4) . . . . ?
C44 C54 C55 C47 3.1(5) . . . . ?
C52 C54 C55 C47 -179.3(3) . . . . ?
C44 C54 C55 C53 -175.1(3) . . . . ?
C52 C54 C55 C53 2.5(4) . . . . ?
C46 C47 C55 C54 -1.9(5) . . . . ?
C46 C47 C55 C53 176.2(3) . . . . ?
C57 C53 C55 C54 -46.7(4) . . . . ?
C21 C53 C55 C54 75.9(4) . . . . ?
C57 C53 C55 C47 135.2(3) . . . . ?
C21 C53 C55 C47 -102.2(4) . . . . ?
C50 C51 C56 C57 -3.3(5) . . . . ?
C58 C51 C56 C57 166.8(3) . . . . ?
C50 C51 C56 C52 -179.9(3) . . . . ?
C58 C51 C56 C52 -9.8(5) . . . . ?
C54 C52 C56 C51 132.5(3) . . . . ?
C20 C52 C56 C51 -105.9(4) . . . . ?
C54 C52 C56 C57 -44.1(4) . . . . ?
C20 C52 C56 C57 77.5(4) . . . . ?
C49 C48 C57 C56 1.8(5) . . . . ?
C49 C48 C57 C53 179.7(3) . . . . ?
C51 C56 C57 C48 1.6(5) . . . . ?
C52 C56 C57 C48 178.4(3) . . . . ?
C51 C56 C57 C53 -176.5(3) . . . . ?
C52 C56 C57 C53 0.3(4) . . . . ?
C55 C53 C57 C48 -133.0(3) . . . . ?
C21 C53 C57 C48 103.4(4) . . . . ?
C55 C53 C57 C56 45.0(4) . . . . ?
C21 C53 C57 C56 -78.5(4) . . . . ?
C56 C51 C58 C59 -131.7(17) . . . . ?
C50 C51 C58 C59 38.7(19) . . . . ?
C51 C58 C59 Si2 12(3) . . . . ?
C58 C59 Si2 C60 -125.4(13) . . . . ?
C58 C59 Si2 C63 114.4(14) . . . . ?
C58 C59 Si2 C66 -4.9(14) . . . . ?
C61 C60 Si2 C59 -59.4(3) . . . . ?
C62 C60 Si2 C59 64.4(3) . . . . ?
C61 C60 Si2 C63 58.7(3) . . . . ?
C62 C60 Si2 C63 -177.5(3) . . . . ?
C61 C60 Si2 C66 -177.4(3) . . . . ?
C62 C60 Si2 C66 -53.5(3) . . . . ?
C65 C63 Si2 C59 -53.2(3) . . . . ?
C64 C63 Si2 C59 -178.0(3) . . . . ?
C65 C63 Si2 C60 -170.2(3) . . . . ?
C64 C63 Si2 C60 64.9(3) . . . . ?
C65 C63 Si2 C66 64.8(3) . . . . ?
C64 C63 Si2 C66 -60.1(3) . . . . ?
C68 C66 Si2 C59 -30.3(4) . . . . ?
C67 C66 Si2 C59 -157.5(3) . . . . ?
C68 C66 Si2 C60 86.8(3) . . . . ?
C67 C66 Si2 C60 -40.4(4) . . . . ?
C68 C66 Si2 C63 -148.5(3) . . . . ?
C67 C66 Si2 C63 84.4(4) . . . . ?
C70 C69 Si3 C78 64.9(3) . . . . ?
C71 C69 Si3 C78 -57.5(3) . . . . ?
C70 C69 Si3 C72 -51.4(3) . . . . ?
C71 C69 Si3 C72 -173.8(3) . . . . ?
C70 C69 Si3 C75 -177.4(3) . . . . ?
C71 C69 Si3 C75 60.2(3) . . . . ?
C74 C72 Si3 C78 74.1(3) . . . . ?
C73 C72 Si3 C78 -159.3(3) . . . . ?
C74 C72 Si3 C69 -173.8(3) . . . . ?
C73 C72 Si3 C69 -47.2(4) . . . . ?
C74 C72 Si3 C75 -45.0(3) . . . . ?
C73 C72 Si3 C75 81.6(4) . . . . ?
C76 C75 Si3 C78 175.9(3) . . . . ?
C77 C75 Si3 C78 49.4(3) . . . . ?
C76 C75 Si3 C69 60.5(4) . . . . ?
C77 C75 Si3 C69 -66.1(3) . . . . ?
C76 C75 Si3 C72 -63.7(3) . . . . ?
C77 C75 Si3 C72 169.7(3) . . . . ?
C69 Si3 C78 C79 18.5(11) . . . . ?
C72 Si3 C78 C79 133.4(10) . . . . ?
C75 Si3 C78 C79 -105.2(10) . . . . ?
Si3 C78 C79 C80 -31(3) . . . . ?
C78 C79 C80 C90 152.4(18) . . . . ?
C78 C79 C80 C81 -24(2) . . . . ?
C90 C80 C81 C82 -1.0(5) . . . . ?
C79 C80 C81 C82 175.3(3) . . . . ?
C80 C81 C82 C83 -0.4(6) . . . . ?
C81 C82 C83 C91 1.6(5) . . . . ?
C93 C84 C85 C86 0.1(5) . . . . ?
C84 C85 C86 C87 -1.3(5) . . . . ?
C85 C86 C87 C92 0.4(5) . . . . ?
C85 C86 C87 C94 178.6(3) . . . . ?
C81 C80 C90 C91 1.0(5) . . . . ?
C79 C80 C90 C91 -174.9(3) . . . . ?
C81 C80 C90 C88 178.3(3) . . . . ?
C79 C80 C90 C88 2.3(5) . . . . ?
C92 C88 C90 C80 -132.9(3) . . . . ?
C120 C88 C90 C80 105.4(4) . . . . ?
C92 C88 C90 C91 44.4(4) . . . . ?
C120 C88 C90 C91 -77.3(4) . . . . ?
C82 C83 C91 C90 -1.6(5) . . . . ?
C82 C83 C91 C89 -179.8(3) . . . . ?
C80 C90 C91 C83 0.2(5) . . . . ?
C88 C90 C91 C83 -177.2(3) . . . . ?
C80 C90 C91 C89 178.6(3) . . . . ?
C88 C90 C91 C89 1.1(4) . . . . ?
C93 C89 C91 C83 132.5(3) . . . . ?
C121 C89 C91 C83 -103.5(4) . . . . ?
C93 C89 C91 C90 -45.8(4) . . . . ?
C121 C89 C91 C90 78.2(4) . . . . ?
C86 C87 C92 C93 1.7(5) . . . . ?
C94 C87 C92 C93 -176.6(3) . . . . ?
C86 C87 C92 C88 178.2(3) . . . . ?
C94 C87 C92 C88 -0.1(5) . . . . ?
C90 C88 C92 C87 138.1(3) . . . . ?
C120 C88 C92 C87 -97.3(3) . . . . ?
C90 C88 C92 C93 -45.2(4) . . . . ?
C120 C88 C92 C93 79.3(3) . . . . ?
C85 C84 C93 C92 1.9(5) . . . . ?
C85 C84 C93 C89 -178.0(3) . . . . ?
C87 C92 C93 C84 -2.8(5) . . . . ?
C88 C92 C93 C84 -179.5(3) . . . . ?
C87 C92 C93 C89 177.2(3) . . . . ?
C88 C92 C93 C89 0.5(4) . . . . ?
C91 C89 C93 C84 -135.0(3) . . . . ?
C121 C89 C93 C84 101.8(4) . . . . ?
C91 C89 C93 C92 45.0(4) . . . . ?
C121 C89 C93 C92 -78.2(3) . . . . ?
C92 C87 C94 C95 27(4) . . . . ?
C86 C87 C94 C95 -151(4) . . . . ?
C87 C94 C95 C96 174(3) . . . . ?
C94 C95 C96 C97 -12(5) . . . . ?
C94 C95 C96 C106 169(4) . . . . ?
C95 C96 C97 C98 178.3(3) . . . . ?
C106 C96 C97 C98 -2.4(5) . . . . ?
C96 C97 C98 C99 -1.0(6) . . . . ?
C97 C98 C99 C107 2.4(6) . . . . ?
C109 C100 C101 C102 0.4(5) . . . . ?
C100 C101 C102 C103 0.0(5) . . . . ?
C101 C102 C103 C110 179.1(3) . . . . ?
C101 C102 C103 C108 0.7(5) . . . . ?
C108 C104 C106 C96 176.8(3) . . . . ?
C108 C104 C106 C107 -2.8(5) . . . . ?
C97 C96 C106 C104 -175.3(3) . . . . ?
C95 C96 C106 C104 4.0(5) . . . . ?
C97 C96 C106 C107 4.3(5) . . . . ?
C95 C96 C106 C107 -176.5(3) . . . . ?
C109 C105 C107 C99 -174.6(3) . . . . ?
C109 C105 C107 C106 1.2(5) . . . . ?
C98 C99 C107 C105 175.4(4) . . . . ?
C98 C99 C107 C106 -0.4(5) . . . . ?
C104 C106 C107 C105 0.8(5) . . . . ?
C96 C106 C107 C105 -178.8(3) . . . . ?
C104 C106 C107 C99 176.7(3) . . . . ?
C96 C106 C107 C99 -2.9(5) . . . . ?
C106 C104 C108 C103 -177.2(3) . . . . ?
C106 C104 C108 C109 2.6(5) . . . . ?
C102 C103 C108 C104 178.0(3) . . . . ?
C110 C103 C108 C104 -0.2(5) . . . . ?
C102 C103 C108 C109 -1.8(5) . . . . ?
C110 C103 C108 C109 179.9(3) . . . . ?
C107 C105 C109 C100 175.7(3) . . . . ?
C107 C105 C109 C108 -1.4(5) . . . . ?
C101 C100 C109 C105 -178.6(3) . . . . ?
C101 C100 C109 C108 -1.6(5) . . . . ?
C104 C108 C109 C105 -0.5(5) . . . . ?
C103 C108 C109 C105 179.3(3) . . . . ?
C104 C108 C109 C100 -177.6(3) . . . . ?
C103 C108 C109 C100 2.2(5) . . . . ?
C102 C103 C110 C111 -10(4) . . . . ?
C108 C103 C110 C111 168(4) . . . . ?
C103 C110 C111 C112 -163(3) . . . . ?
C110 C111 C112 C122 8(3) . . . . ?
C110 C111 C112 C113 -170(3) . . . . ?
C122 C112 C113 C114 -1.1(5) . . . . ?
C111 C112 C113 C114 176.7(3) . . . . ?
C112 C113 C114 C115 0.2(5) . . . . ?
C113 C114 C115 C123 0.1(5) . . . . ?
C125 C116 C117 C118 2.1(5) . . . . ?
C116 C117 C118 C119 0.1(5) . . . . ?
C117 C118 C119 C124 -3.7(5) . . . . ?
C117 C118 C119 C126 169.9(3) . . . . ?
C92 C88 C120 C122 -124.8(3) . . . . ?
C90 C88 C120 C122 -3.4(4) . . . . ?
C92 C88 C120 C124 -3.0(4) . . . . ?
C90 C88 C120 C124 118.4(3) . . . . ?
C93 C89 C121 C123 118.5(3) . . . . ?
C91 C89 C121 C123 -3.2(4) . . . . ?
C93 C89 C121 C125 -2.9(4) . . . . ?
C91 C89 C121 C125 -124.5(3) . . . . ?
C113 C112 C122 C123 1.7(5) . . . . ?
C111 C112 C122 C123 -176.2(3) . . . . ?
C113 C112 C122 C120 179.5(3) . . . . ?
C111 C112 C122 C120 1.6(5) . . . . ?
C124 C120 C122 C123 -45.6(4) . . . . ?
C88 C120 C122 C123 80.0(3) . . . . ?
C124 C120 C122 C112 136.6(3) . . . . ?
C88 C120 C122 C112 -97.8(3) . . . . ?
C114 C115 C123 C122 0.5(5) . . . . ?
C114 C115 C123 C121 -178.0(3) . . . . ?
C112 C122 C123 C115 -1.5(5) . . . . ?
C120 C122 C123 C115 -179.3(3) . . . . ?
C112 C122 C123 C121 177.2(3) . . . . ?
C120 C122 C123 C121 -0.7(4) . . . . ?
C125 C121 C123 C115 -134.9(3) . . . . ?
C89 C121 C123 C115 101.9(4) . . . . ?
C125 C121 C123 C122 46.5(4) . . . . ?
C89 C121 C123 C122 -76.7(4) . . . . ?
C118 C119 C124 C125 4.9(5) . . . . ?
C126 C119 C124 C125 -168.1(3) . . . . ?
C118 C119 C124 C120 -179.5(3) . . . . ?
C126 C119 C124 C120 7.4(5) . . . . ?
C122 C120 C124 C119 -129.8(3) . . . . ?
C88 C120 C124 C119 107.4(3) . . . . ?
C122 C120 C124 C125 45.9(4) . . . . ?
C88 C120 C124 C125 -77.0(4) . . . . ?
C117 C116 C125 C124 -0.9(5) . . . . ?
C117 C116 C125 C121 -179.3(3) . . . . ?
C119 C124 C125 C116 -2.7(5) . . . . ?
C120 C124 C125 C116 -178.5(3) . . . . ?
C119 C124 C125 C121 175.9(3) . . . . ?
C120 C124 C125 C121 0.0(4) . . . . ?
C123 C121 C125 C116 132.6(3) . . . . ?
C89 C121 C125 C116 -102.7(4) . . . . ?
C123 C121 C125 C124 -45.9(4) . . . . ?
C89 C121 C125 C124 78.8(3) . . . . ?
C124 C119 C126 C127 127(2) . . . . ?
C118 C119 C126 C127 -46(2) . . . . ?
C119 C126 C127 Si4 -21(3) . . . . ?
C126 C127 Si4 C134 154.2(10) . . . . ?
C126 C127 Si4 C128 -86.0(10) . . . . ?
C126 C127 Si4 C131 39.1(10) . . . . ?
C135 C134 Si4 C127 -67.0(4) . . . . ?
C136 C134 Si4 C127 60.0(3) . . . . ?
C135 C134 Si4 C128 174.8(3) . . . . ?
C136 C134 Si4 C128 -58.2(3) . . . . ?
C135 C134 Si4 C131 46.5(4) . . . . ?
C136 C134 Si4 C131 173.5(3) . . . . ?
C129 C128 Si4 C127 62.0(4) . . . . ?
C130 C128 Si4 C127 -167.7(4) . . . . ?
C129 C128 Si4 C134 -175.0(3) . . . . ?
C130 C128 Si4 C134 -44.7(4) . . . . ?
C129 C128 Si4 C131 -53.6(4) . . . . ?
C130 C128 Si4 C131 76.8(5) . . . . ?
C132 C131 Si4 C127 -49.1(5) . . . . ?
C133 C131 Si4 C127 -178.3(4) . . . . ?
C132 C131 Si4 C134 -169.5(4) . . . . ?
C133 C131 Si4 C134 61.3(5) . . . . ?
C132 C131 Si4 C128 67.8(5) . . . . ?
C133 C131 Si4 C128 -61.4(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.429
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.067