#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/19/4101983.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_4101983
loop_
_publ_author_name
'Joon Soo Han'
'Takahiro Sasamori'
'Yoshiyuki Mizuhata'
'Norihiro Tokitoh'
_publ_contact_author_address
;
    Institute for Chemical Research, Kyoto University, Gokasho, Uji, 
    Kyoto 611-0011, Japan. 
;
_publ_contact_author_email       ' tokitoh@boc.kuicr.kyoto-u.ac.jp'
_publ_contact_author_fax         ' +81-774-38-3209 '
_publ_contact_author_name        'Norihiro Tokitoh'
_publ_contact_author_phone       ' +81-774-38-3200 '
_publ_section_title
;
 Reactivity of an Aryl-Substituted Silicon-Silicon Triple Bond: Reactions
 of a 1,2-Diaryldisilyne with Alkenes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2546
_journal_page_last               2547
_journal_paper_doi               10.1021/ja9108566
_journal_volume                  132
_journal_year                    2010
_chemical_formula_moiety         'C66 H144 Si16, C6 H14'
_chemical_formula_sum            'C72 H158 Si16'
_chemical_formula_weight         1473.42
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_date             'November 10 2009'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.9396(8)
_cell_angle_beta                 104.9516(8)
_cell_angle_gamma                98.7788(7)
_cell_formula_units_Z            2
_cell_length_a                   12.4662(2)
_cell_length_b                   20.0362(3)
_cell_length_c                   20.7134(4)
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.73
_cell_volume                     4601.42(14)
_computing_cell_refinement       HKL2000
_computing_data_collection       CrystalClear
_computing_data_reduction        'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'RIGAKU Saturn70'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_sigmaI/netI    0.0534
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            39271
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    0.256
_exptl_absorpt_correction_T_max  0.9749
_exptl_absorpt_correction_T_min  0.9272
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            clorless
_exptl_crystal_density_diffrn    1.063
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1628
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.852
_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     904
_refine_ls_number_reflns         16090
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0546
_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)+(0.0832P)²+4.3358P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1472
_refine_ls_wR_factor_ref         0.1580
_reflns_number_gt                12703
_reflns_number_total             16090
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja9108566_si_004.cif
_cod_data_source_block           DMB_adduct
_cod_original_cell_volume        4601.42(13)
_cod_original_sg_symbol_Hall     '    -P 1 '
_cod_database_code               4101983
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 0.25791(6) 0.08537(4) 0.76919(4) 0.02072(17) Uani 1 1 d . . .
Si2 Si 0.14976(6) -0.03325(4) 0.69652(4) 0.02098(17) Uani 1 1 d . . .
C1 C 0.1053(2) -0.01829(15) 0.60920(15) 0.0268(6) Uani 1 1 d . . .
H1 H 0.1654 0.0101 0.5979 0.032 Uiso 1 1 calc R . .
H2 H 0.0509 -0.0594 0.5672 0.032 Uiso 1 1 calc R . .
C2 C 0.0557(2) 0.02423(15) 0.66467(15) 0.0254(6) Uani 1 1 d . . .
C3 C 0.1282(2) 0.10056(15) 0.70944(14) 0.0247(6) Uani 1 1 d . . .
C4 C 0.1364(2) 0.12368(15) 0.78868(15) 0.0263(6) Uani 1 1 d . . .
H3 H 0.0799 0.0939 0.8011 0.032 Uiso 1 1 calc R . .
H4 H 0.1547 0.1764 0.8162 0.032 Uiso 1 1 calc R . .
C5 C -0.0730(2) 0.01239(17) 0.64345(17) 0.0352(7) Uani 1 1 d . . .
H5 H -0.0945 0.0336 0.6861 0.053 Uiso 1 1 calc R . .
H6 H -0.1096 -0.0397 0.6215 0.053 Uiso 1 1 calc R . .
H7 H -0.0983 0.0356 0.6090 0.053 Uiso 1 1 calc R . .
C6 C 0.1211(3) 0.15729(16) 0.67534(17) 0.0355(7) Uani 1 1 d . . .
H8 H 0.1345 0.1397 0.6292 0.053 Uiso 1 1 calc R . .
H9 H 0.1793 0.2022 0.7071 0.053 Uiso 1 1 calc R . .
H10 H 0.0447 0.1666 0.6677 0.053 Uiso 1 1 calc R . .
C7 C 0.4029(2) 0.15379(13) 0.80502(14) 0.0205(5) Uani 1 1 d . . .
C8 C 0.4529(2) 0.19776(14) 0.87898(14) 0.0216(6) Uani 1 1 d . . .
C9 C 0.5498(2) 0.25564(14) 0.90144(14) 0.0236(6) Uani 1 1 d . . .
H11 H 0.5808 0.2851 0.9510 0.028 Uiso 1 1 calc R . .
C10 C 0.6035(2) 0.27216(14) 0.85429(15) 0.0234(6) Uani 1 1 d . . .
C11 C 0.5560(2) 0.22620(14) 0.78266(14) 0.0237(6) Uani 1 1 d . . .
H12 H 0.5917 0.2344 0.7495 0.028 Uiso 1 1 calc R . .
C12 C 0.4580(2) 0.16828(14) 0.75706(14) 0.0217(6) Uani 1 1 d . . .
C13 C 0.4053(2) 0.18449(15) 0.93601(14) 0.0247(6) Uani 1 1 d . . .
H13 H 0.3360 0.1430 0.9079 0.030 Uiso 1 1 calc R . .
C14 C 0.7081(2) 0.33910(15) 0.88222(15) 0.0274(6) Uani 1 1 d . . .
C15 C 0.4164(2) 0.12169(15) 0.67752(14) 0.0253(6) Uani 1 1 d . . .
H14 H 0.3364 0.0943 0.6681 0.030 Uiso 1 1 calc R . .
Si3 Si 0.50378(7) 0.14703(4) 0.99446(4) 0.02930(19) Uani 1 1 d . . .
Si4 Si 0.34573(8) 0.26015(5) 0.98459(5) 0.0336(2) Uani 1 1 d . . .
Si5 Si 0.82552(7) 0.32312(4) 0.95347(5) 0.0321(2) Uani 1 1 d . . .
Si6 Si 0.77459(8) 0.35331(5) 0.81180(5) 0.0351(2) Uani 1 1 d . . .
Si7 Si 0.64400(7) 0.42088(4) 0.91323(5) 0.0315(2) Uani 1 1 d . . .
Si8 Si 0.49870(7) 0.04937(4) 0.66102(4) 0.02952(19) Uani 1 1 d . . .
Si9 Si 0.40029(7) 0.17191(5) 0.61207(4) 0.0303(2) Uani 1 1 d . . .
C16 C 0.5435(3) 0.07108(16) 0.93394(17) 0.0345(7) Uani 1 1 d . . .
H15 H 0.5887 0.0479 0.9626 0.052 Uiso 1 1 calc R . .
H16 H 0.5891 0.0903 0.9085 0.052 Uiso 1 1 calc R . .
H17 H 0.4736 0.0353 0.8991 0.052 Uiso 1 1 calc R . .
C17 C 0.4252(3) 0.11375(18) 1.04879(17) 0.0395(8) Uani 1 1 d . . .
H18 H 0.4732 0.0915 1.0770 0.059 Uiso 1 1 calc R . .
H19 H 0.3536 0.0777 1.0167 0.059 Uiso 1 1 calc R . .
H20 H 0.4076 0.1546 1.0812 0.059 Uiso 1 1 calc R . .
C18 C 0.6416(3) 0.21176(18) 1.05961(17) 0.0401(8) Uani 1 1 d . . .
H21 H 0.6255 0.2554 1.0887 0.060 Uiso 1 1 calc R . .
H22 H 0.6910 0.2251 1.0333 0.060 Uiso 1 1 calc R . .
H23 H 0.6805 0.1887 1.0909 0.060 Uiso 1 1 calc R . .
C19 C 0.2081(3) 0.22038(19) 0.9950(2) 0.0478(9) Uani 1 1 d . . .
H24 H 0.1793 0.2594 1.0211 0.072 Uiso 1 1 calc R . .
H25 H 0.2217 0.1881 1.0218 0.072 Uiso 1 1 calc R . .
H26 H 0.1514 0.1928 0.9475 0.072 Uiso 1 1 calc R . .
C20 C 0.4433(4) 0.31878(19) 1.07767(18) 0.0500(9) Uani 1 1 d . . .
H27 H 0.5172 0.3411 1.0754 0.075 Uiso 1 1 calc R . .
H28 H 0.4553 0.2890 1.1073 0.075 Uiso 1 1 calc R . .
H29 H 0.4081 0.3568 1.0988 0.075 Uiso 1 1 calc R . .
C21 C 0.3135(3) 0.31955(17) 0.93168(18) 0.0388(8) Uani 1 1 d . . .
H30 H 0.2809 0.2897 0.8805 0.058 Uiso 1 1 calc R . .
H31 H 0.3845 0.3546 0.9402 0.058 Uiso 1 1 calc R . .
H32 H 0.2583 0.3455 0.9467 0.058 Uiso 1 1 calc R . .
C22 C 0.8127(3) 0.22331(17) 0.92668(19) 0.0400(8) Uani 1 1 d . . .
H33 H 0.8744 0.2145 0.9608 0.060 Uiso 1 1 calc R . .
H34 H 0.8187 0.2042 0.8785 0.060 Uiso 1 1 calc R . .
H35 H 0.7382 0.1990 0.9267 0.060 Uiso 1 1 calc R . .
C23 C 0.8260(3) 0.36209(19) 1.04802(17) 0.0427(8) Uani 1 1 d . . .
H36 H 0.7474 0.3505 1.0493 0.064 Uiso 1 1 calc R . .
H37 H 0.8562 0.4148 1.0665 0.064 Uiso 1 1 calc R . .
H38 H 0.8744 0.3414 1.0778 0.064 Uiso 1 1 calc R . .
C24 C 0.9784(3) 0.3635(2) 0.9643(2) 0.0497(9) Uani 1 1 d . . .
H39 H 1.0303 0.3521 1.0015 0.075 Uiso 1 1 calc R . .
H40 H 0.9919 0.4162 0.9782 0.075 Uiso 1 1 calc R . .
H41 H 0.9928 0.3431 0.9187 0.075 Uiso 1 1 calc R . .
C25 C 0.8295(3) 0.27473(18) 0.76857(19) 0.0458(9) Uani 1 1 d . . .
H42 H 0.7650 0.2319 0.7408 0.069 Uiso 1 1 calc R . .
H43 H 0.8836 0.2646 0.8058 0.069 Uiso 1 1 calc R . .
H44 H 0.8684 0.2867 0.7366 0.069 Uiso 1 1 calc R . .
C26 C 0.6745(3) 0.37095(19) 0.73729(18) 0.0463(9) Uani 1 1 d . . .
H45 H 0.7093 0.3695 0.6997 0.069 Uiso 1 1 calc R . .
H46 H 0.6604 0.4188 0.7562 0.069 Uiso 1 1 calc R . .
H47 H 0.6017 0.3337 0.7171 0.069 Uiso 1 1 calc R . .
C27 C 0.9022(3) 0.43481(18) 0.8510(2) 0.0470(9) Uani 1 1 d . . .
H205 H 0.8794 0.4782 0.8746 0.070 Uiso 1 1 calc R . .
H206 H 0.9296 0.4414 0.8125 0.070 Uiso 1 1 calc R . .
H207 H 0.9638 0.4271 0.8861 0.070 Uiso 1 1 calc R . .
C28 C 0.4982(3) 0.40284(17) 0.84683(18) 0.0378(7) Uani 1 1 d . . .
H51 H 0.4523 0.3550 0.8387 0.057 Uiso 1 1 calc R . .
H52 H 0.5064 0.4042 0.8014 0.057 Uiso 1 1 calc R . .
H53 H 0.4599 0.4400 0.8657 0.057 Uiso 1 1 calc R . .
C29 C 0.7268(3) 0.51043(17) 0.9187(2) 0.0485(9) Uani 1 1 d . . .
H54 H 0.6834 0.5469 0.9297 0.073 Uiso 1 1 calc R . .
H55 H 0.7388 0.5052 0.8727 0.073 Uiso 1 1 calc R . .
H56 H 0.8012 0.5258 0.9566 0.073 Uiso 1 1 calc R . .
C30 C 0.6271(3) 0.44388(18) 1.00432(17) 0.0419(8) Uani 1 1 d . . .
H57 H 0.5828 0.4804 1.0111 0.063 Uiso 1 1 calc R . .
H58 H 0.7030 0.4632 1.0411 0.063 Uiso 1 1 calc R . .
H59 H 0.5868 0.4001 1.0083 0.063 Uiso 1 1 calc R . .
C31 C 0.4290(4) -0.01666(19) 0.56700(19) 0.0509(9) Uani 1 1 d . . .
H60 H 0.4314 0.0086 0.5335 0.076 Uiso 1 1 calc R . .
H61 H 0.3490 -0.0384 0.5601 0.076 Uiso 1 1 calc R . .
H62 H 0.4700 -0.0548 0.5581 0.076 Uiso 1 1 calc R . .
C32 C 0.4910(3) 0.00079(17) 0.72421(18) 0.0380(7) Uani 1 1 d . . .
H63 H 0.5305 -0.0381 0.7151 0.057 Uiso 1 1 calc R . .
H64 H 0.4104 -0.0200 0.7170 0.057 Uiso 1 1 calc R . .
H65 H 0.5279 0.0350 0.7737 0.057 Uiso 1 1 calc R . .
C33 C 0.6539(3) 0.08407(19) 0.6757(2) 0.0488(9) Uani 1 1 d . . .
H66 H 0.6878 0.0431 0.6616 0.073 Uiso 1 1 calc R . .
H67 H 0.6933 0.1135 0.7265 0.073 Uiso 1 1 calc R . .
H68 H 0.6621 0.1138 0.6467 0.073 Uiso 1 1 calc R . .
C34 C 0.2835(3) 0.11395(19) 0.52607(16) 0.0404(8) Uani 1 1 d . . .
H69 H 0.2133 0.0986 0.5364 0.061 Uiso 1 1 calc R . .
H70 H 0.3072 0.0711 0.5021 0.061 Uiso 1 1 calc R . .
H71 H 0.2688 0.1418 0.4947 0.061 Uiso 1 1 calc R . .
C35 C 0.5314(3) 0.19184(19) 0.58610(17) 0.0410(8) Uani 1 1 d . . .
H72 H 0.5209 0.2227 0.5575 0.062 Uiso 1 1 calc R . .
H73 H 0.5437 0.1463 0.5577 0.062 Uiso 1 1 calc R . .
H74 H 0.5982 0.2169 0.6295 0.062 Uiso 1 1 calc R . .
C36 C 0.3617(3) 0.25936(17) 0.64917(17) 0.0354(7) Uani 1 1 d . . .
H75 H 0.3874 0.2931 0.6274 0.053 Uiso 1 1 calc R . .
H76 H 0.3992 0.2805 0.7013 0.053 Uiso 1 1 calc R . .
H77 H 0.2783 0.2502 0.6383 0.053 Uiso 1 1 calc R . .
C37 C 0.0826(2) -0.12684(14) 0.69315(14) 0.0221(6) Uani 1 1 d . . .
C38 C 0.0939(2) -0.19132(15) 0.64466(14) 0.0228(6) Uani 1 1 d . . .
C39 C 0.0252(2) -0.25892(15) 0.63390(14) 0.0250(6) Uani 1 1 d . . .
H78 H 0.0336 -0.3013 0.6010 0.030 Uiso 1 1 calc R . .
C40 C -0.0550(2) -0.26690(15) 0.66938(15) 0.0267(6) Uani 1 1 d . A .
C41 C -0.0598(2) -0.20323(15) 0.71950(15) 0.0257(6) Uani 1 1 d . . .
H79 H -0.1102 -0.2067 0.7464 0.031 Uiso 1 1 calc R . .
C42 C 0.0062(2) -0.13436(14) 0.73217(14) 0.0225(6) Uani 1 1 d . . .
C43 C 0.1790(2) -0.19006(14) 0.60385(14) 0.0231(6) Uani 1 1 d . . .
H80 H 0.2105 -0.1373 0.6150 0.028 Uiso 1 1 calc R . .
C44 C -0.1329(3) -0.34257(16) 0.65391(17) 0.0365(7) Uani 1 1 d . . .
C45 C -0.0041(2) -0.06981(15) 0.79033(14) 0.0263(6) Uani 1 1 d . . .
H81 H 0.0289 -0.0267 0.7805 0.032 Uiso 1 1 calc R . .
Si10 Si 0.30951(7) -0.22201(5) 0.64085(4) 0.02851(19) Uani 1 1 d . . .
Si11 Si 0.10907(7) -0.22937(4) 0.50175(4) 0.02500(18) Uani 1 1 d . . .
Si12 Si 0.09783(7) -0.05959(5) 0.88056(4) 0.0325(2) Uani 1 1 d . . .
Si13 Si -0.15538(8) -0.06243(5) 0.78861(5) 0.0350(2) Uani 1 1 d . . .
C46 C 0.3719(3) -0.17256(19) 0.74026(17) 0.0393(8) Uani 1 1 d . . .
H82 H 0.4480 -0.1805 0.7576 0.059 Uiso 1 1 calc R . .
H83 H 0.3217 -0.1907 0.7638 0.059 Uiso 1 1 calc R . .
H84 H 0.3786 -0.1206 0.7513 0.059 Uiso 1 1 calc R . .
C47 C 0.4162(3) -0.20325(19) 0.59543(18) 0.0391(8) Uani 1 1 d . . .
H85 H 0.4312 -0.1521 0.6005 0.059 Uiso 1 1 calc R . .
H86 H 0.3853 -0.2339 0.5444 0.059 Uiso 1 1 calc R . .
H87 H 0.4878 -0.2139 0.6176 0.059 Uiso 1 1 calc R . .
C48 C 0.2829(3) -0.32066(18) 0.62767(19) 0.0407(8) Uani 1 1 d . . .
H88 H 0.3554 -0.3315 0.6478 0.061 Uiso 1 1 calc R . .
H89 H 0.2504 -0.3498 0.5763 0.061 Uiso 1 1 calc R . .
H90 H 0.2288 -0.3322 0.6520 0.061 Uiso 1 1 calc R . .
C49 C 0.1815(3) -0.17361(19) 0.46021(16) 0.0375(7) Uani 1 1 d . . .
H91 H 0.1460 -0.1946 0.4079 0.056 Uiso 1 1 calc R . .
H92 H 0.2631 -0.1731 0.4727 0.056 Uiso 1 1 calc R . .
H93 H 0.1736 -0.1239 0.4781 0.056 Uiso 1 1 calc R . .
C50 C 0.1185(3) -0.32466(18) 0.45925(17) 0.0419(8) Uani 1 1 d . . .
H94 H 0.0848 -0.3556 0.4812 0.063 Uiso 1 1 calc R . .
H95 H 0.1991 -0.3253 0.4666 0.063 Uiso 1 1 calc R . .
H96 H 0.0764 -0.3428 0.4077 0.063 Uiso 1 1 calc R . .
C51 C -0.0447(2) -0.22649(16) 0.47689(16) 0.0303(6) Uani 1 1 d . . .
H97 H -0.0494 -0.1759 0.4920 0.045 Uiso 1 1 calc R . .
H98 H -0.0845 -0.2521 0.5008 0.045 Uiso 1 1 calc R . .
H99 H -0.0808 -0.2500 0.4248 0.045 Uiso 1 1 calc R . .
C52 C 0.0977(3) 0.0266(2) 0.94853(18) 0.0541(10) Uani 1 1 d . . .
H100 H 0.0218 0.0230 0.9545 0.081 Uiso 1 1 calc R . .
H101 H 0.1156 0.0668 0.9324 0.081 Uiso 1 1 calc R . .
H102 H 0.1556 0.0354 0.9945 0.081 Uiso 1 1 calc R . .
C53 C 0.2459(3) -0.05326(19) 0.87472(17) 0.0391(8) Uani 1 1 d . . .
H103 H 0.2991 -0.0485 0.9209 0.059 Uiso 1 1 calc R . .
H104 H 0.2700 -0.0108 0.8630 0.059 Uiso 1 1 calc R . .
H105 H 0.2465 -0.0971 0.8372 0.059 Uiso 1 1 calc R . .
C54 C 0.0655(3) -0.1359(2) 0.91195(19) 0.0502(9) Uani 1 1 d . . .
H106 H 0.1213 -0.1253 0.9591 0.075 Uiso 1 1 calc R . .
H107 H 0.0701 -0.1807 0.8777 0.075 Uiso 1 1 calc R . .
H108 H -0.0120 -0.1416 0.9156 0.075 Uiso 1 1 calc R . .
C55 C -0.1556(3) 0.0355(2) 0.8272(2) 0.0527(10) Uani 1 1 d . . .
H109 H -0.1270 0.0618 0.7997 0.079 Uiso 1 1 calc R . .
H110 H -0.1059 0.0566 0.8773 0.079 Uiso 1 1 calc R . .
H111 H -0.2339 0.0392 0.8245 0.079 Uiso 1 1 calc R . .
C56 C -0.2136(3) -0.1087(2) 0.8432(2) 0.0524(10) Uani 1 1 d . . .
H112 H -0.2930 -0.1057 0.8376 0.079 Uiso 1 1 calc R . .
H113 H -0.1667 -0.0848 0.8938 0.079 Uiso 1 1 calc R . .
H114 H -0.2114 -0.1597 0.8266 0.079 Uiso 1 1 calc R . .
C57 C -0.2581(3) -0.10228(18) 0.69472(18) 0.0375(7) Uani 1 1 d . . .
H115 H -0.3364 -0.1153 0.6958 0.056 Uiso 1 1 calc R . .
H116 H -0.2389 -0.1457 0.6677 0.056 Uiso 1 1 calc R . .
H117 H -0.2526 -0.0666 0.6715 0.056 Uiso 1 1 calc R . .
Si14 Si -0.01957(13) -0.39932(7) 0.67961(8) 0.0358(3) Uani 0.65 1 d P A 1
Si15 Si -0.22472(12) -0.37691(7) 0.55691(7) 0.0365(3) Uani 0.65 1 d P A 1
Si16 Si -0.22889(12) -0.34760(6) 0.71190(7) 0.0320(3) Uani 0.65 1 d P A 1
C58 C 0.1101(9) -0.3350(6) 0.7565(5) 0.049(2) Uani 0.65 1 d P A 1
H118 H 0.0858 -0.3104 0.7970 0.074 Uiso 0.65 1 calc PR A 1
H119 H 0.1476 -0.2990 0.7410 0.074 Uiso 0.65 1 calc PR A 1
H120 H 0.1642 -0.3624 0.7714 0.074 Uiso 0.65 1 calc PR A 1
C59 C 0.0205(4) -0.4484(2) 0.6000(2) 0.0652(12) Uani 1 1 d . . .
H121 H -0.0487 -0.4811 0.5615 0.098 Uiso 0.65 1 calc PR A 1
H122 H 0.0738 -0.4767 0.6137 0.098 Uiso 0.65 1 calc PR A 1
H123 H 0.0572 -0.4132 0.5834 0.098 Uiso 0.65 1 calc PR A 1
H124 H 0.0211 -0.4893 0.5594 0.098 Uiso 0.35 1 calc PR A 2
H125 H 0.0304 -0.4622 0.6423 0.098 Uiso 0.35 1 calc PR A 2
H126 H 0.0833 -0.4068 0.6103 0.098 Uiso 0.35 1 calc PR A 2
C60 C -0.0687(9) -0.4760(4) 0.7078(5) 0.078(3) Uani 0.65 1 d P A 1
H127 H -0.1352 -0.5114 0.6691 0.117 Uiso 0.65 1 calc PR A 1
H128 H -0.0901 -0.4571 0.7510 0.117 Uiso 0.65 1 calc PR A 1
H129 H -0.0063 -0.4996 0.7181 0.117 Uiso 0.65 1 calc PR A 1
C61 C -0.2813(9) -0.3003(5) 0.5419(5) 0.057(3) Uani 0.65 1 d P A 1
H130 H -0.3163 -0.2805 0.5785 0.086 Uiso 0.65 1 calc PR A 1
H131 H -0.3390 -0.3176 0.4942 0.086 Uiso 0.65 1 calc PR A 1
H132 H -0.2182 -0.2623 0.5452 0.086 Uiso 0.65 1 calc PR A 1
C62 C -0.3526(7) -0.4530(4) 0.5290(4) 0.086(3) Uani 0.65 1 d P A 1
H133 H -0.3932 -0.4427 0.5642 0.129 Uiso 0.65 1 calc PR A 1
H134 H -0.3283 -0.4978 0.5261 0.129 Uiso 0.65 1 calc PR A 1
H135 H -0.4039 -0.4587 0.4819 0.129 Uiso 0.65 1 calc PR A 1
C63 C -0.1500(3) -0.3131(2) 0.81122(18) 0.0454(9) Uani 1 1 d . . .
H136 H -0.0901 -0.3387 0.8206 0.068 Uiso 0.65 1 calc PR A 1
H137 H -0.2040 -0.3216 0.8365 0.068 Uiso 0.65 1 calc PR A 1
H138 H -0.1147 -0.2610 0.8282 0.068 Uiso 0.65 1 calc PR A 1
H139 H -0.1182 -0.3266 0.8525 0.068 Uiso 0.35 1 calc PR A 2
H140 H -0.2338 -0.3300 0.7942 0.068 Uiso 0.35 1 calc PR A 2
H141 H -0.1277 -0.2602 0.8256 0.068 Uiso 0.35 1 calc PR A 2
C64 C -0.3437(14) -0.2979(9) 0.6969(11) 0.051(5) Uani 0.65 1 d P A 1
H142 H -0.3861 -0.3149 0.6455 0.077 Uiso 0.65 1 calc PR A 1
H143 H -0.3083 -0.2458 0.7146 0.077 Uiso 0.65 1 calc PR A 1
H144 H -0.3965 -0.3072 0.7227 0.077 Uiso 0.65 1 calc PR A 1
C65 C -0.3180(6) -0.4417(3) 0.6905(4) 0.0603(18) Uani 0.65 1 d P A 1
H145 H -0.3618 -0.4633 0.6392 0.090 Uiso 0.65 1 calc PR A 1
H146 H -0.3711 -0.4387 0.7183 0.090 Uiso 0.65 1 calc PR A 1
H147 H -0.2674 -0.4719 0.7029 0.090 Uiso 0.65 1 calc PR A 1
Si17 Si -0.0934(3) -0.35554(18) 0.73801(18) 0.0530(8) Uani 0.35 1 d P A 2
Si18 Si -0.1433(3) -0.41951(16) 0.57351(18) 0.0518(7) Uani 0.35 1 d P A 2
Si19 Si -0.2969(3) -0.32107(16) 0.62129(17) 0.0478(7) Uani 0.35 1 d P A 2
C66 C -0.1232(16) -0.4564(7) 0.7275(9) 0.085(5) Uani 0.35 1 d P A 2
H148 H -0.0997 -0.4601 0.7749 0.128 Uiso 0.35 1 calc PR A 2
H149 H -0.0797 -0.4810 0.6987 0.128 Uiso 0.35 1 calc PR A 2
H150 H -0.2054 -0.4793 0.7035 0.128 Uiso 0.35 1 calc PR A 2
C67 C -0.2548(11) -0.5043(5) 0.5549(8) 0.068(4) Uani 0.35 1 d P A 2
H151 H -0.2556 -0.5427 0.5117 0.101 Uiso 0.35 1 calc PR A 2
H152 H -0.3306 -0.4941 0.5474 0.101 Uiso 0.35 1 calc PR A 2
H153 H -0.2363 -0.5202 0.5958 0.101 Uiso 0.35 1 calc PR A 2
C68 C -0.4203(9) -0.4044(7) 0.5629(7) 0.066(3) Uani 0.35 1 d P A 2
H154 H -0.4026 -0.4314 0.5204 0.098 Uiso 0.35 1 calc PR A 2
H155 H -0.4908 -0.3892 0.5480 0.098 Uiso 0.35 1 calc PR A 2
H156 H -0.4311 -0.4355 0.5904 0.098 Uiso 0.35 1 calc PR A 2
C69 C -0.2941(13) -0.2692(9) 0.5602(7) 0.046(4) Uani 0.35 1 d P A 2
H157 H -0.2324 -0.2245 0.5851 0.070 Uiso 0.35 1 calc PR A 2
H158 H -0.3678 -0.2571 0.5465 0.070 Uiso 0.35 1 calc PR A 2
H159 H -0.2805 -0.2989 0.5171 0.070 Uiso 0.35 1 calc PR A 2
C70 C 0.0726(14) -0.3274(11) 0.7701(10) 0.050(4) Uani 0.35 1 d P A 2
H160 H 0.1026 -0.3326 0.8165 0.075 Uiso 0.35 1 calc PR A 2
H161 H 0.0989 -0.2768 0.7753 0.075 Uiso 0.35 1 calc PR A 2
H162 H 0.1004 -0.3586 0.7348 0.075 Uiso 0.35 1 calc PR A 2
C71 C -0.3441(18) -0.2800(16) 0.6976(15) 0.032(5) Uani 0.35 1 d P A 2
H163 H -0.2857 -0.2358 0.7314 0.048 Uiso 0.35 1 calc PR A 2
H164 H -0.3551 -0.3143 0.7217 0.048 Uiso 0.35 1 calc PR A 2
H165 H -0.4166 -0.2677 0.6805 0.048 Uiso 0.35 1 calc PR A 2
C72 C -0.1633(4) -0.40688(19) 0.48590(19) 0.0503(9) Uani 1 1 d . . .
H166 H -0.0942 -0.3700 0.4949 0.075 Uiso 0.65 1 calc PR A 1
H167 H -0.2194 -0.4143 0.4398 0.075 Uiso 0.65 1 calc PR A 1
H168 H -0.1432 -0.4526 0.4846 0.075 Uiso 0.65 1 calc PR A 1
H169 H -0.1670 -0.4525 0.4490 0.075 Uiso 0.35 1 calc PR A 2
H170 H -0.0986 -0.3691 0.4906 0.075 Uiso 0.35 1 calc PR A 2
H171 H -0.2349 -0.3924 0.4721 0.075 Uiso 0.35 1 calc PR A 2
C73 C 0.8447(7) 0.6399(4) 0.2029(5) 0.060(2) Uiso 0.543(7) 1 d P B 1
H172 H 0.9011 0.6732 0.1946 0.090 Uiso 0.543(7) 1 calc PR B 1
H173 H 0.7812 0.6617 0.2095 0.090 Uiso 0.543(7) 1 calc PR B 1
H174 H 0.8151 0.5941 0.1615 0.090 Uiso 0.543(7) 1 calc PR B 1
C74 C 0.8999(7) 0.6256(4) 0.2680(4) 0.0506(19) Uiso 0.543(7) 1 d P B 1
H175 H 0.9321 0.6721 0.3094 0.061 Uiso 0.543(7) 1 calc PR B 1
H176 H 0.9641 0.6038 0.2612 0.061 Uiso 0.543(7) 1 calc PR B 1
C75 C 0.8153(8) 0.5746(5) 0.2846(5) 0.066(2) Uiso 0.543(7) 1 d P B 1
H177 H 0.8549 0.5695 0.3302 0.079 Uiso 0.543(7) 1 calc PR B 1
H178 H 0.7514 0.5968 0.2915 0.079 Uiso 0.543(7) 1 calc PR B 1
C76 C 0.7659(8) 0.4993(5) 0.2259(5) 0.066(2) Uiso 0.543(7) 1 d P B 1
H179 H 0.8286 0.4798 0.2125 0.079 Uiso 0.543(7) 1 calc PR B 1
H180 H 0.7129 0.5023 0.1827 0.079 Uiso 0.543(7) 1 calc PR B 1
C77 C 0.6965(9) 0.4454(6) 0.2559(6) 0.080(3) Uiso 0.543(7) 1 d P B 1
H181 H 0.6697 0.3961 0.2186 0.096 Uiso 0.543(7) 1 calc PR B 1
H182 H 0.7518 0.4429 0.2985 0.096 Uiso 0.543(7) 1 calc PR B 1
C78 C 0.5960(13) 0.4651(9) 0.2761(8) 0.093(5) Uiso 0.543(7) 1 d P B 1
H200 H 0.5615 0.4287 0.2923 0.139 Uiso 0.543(7) 1 calc PR B 1
H201 H 0.5392 0.4668 0.2344 0.139 Uiso 0.543(7) 1 calc PR B 1
H202 H 0.6213 0.5127 0.3149 0.139 Uiso 0.543(7) 1 calc PR B 1
C79 C 0.8763(11) 0.6466(6) 0.2469(7) 0.076(3) Uiso 0.457(7) 1 d P B 2
H185 H 0.9122 0.6616 0.2150 0.114 Uiso 0.457(7) 1 calc PR B 2
H186 H 0.9361 0.6494 0.2897 0.114 Uiso 0.457(7) 1 calc PR B 2
H187 H 0.8279 0.6788 0.2611 0.114 Uiso 0.457(7) 1 calc PR B 2
C80 C 0.8054(9) 0.5715(6) 0.2091(6) 0.071(3) Uiso 0.457(7) 1 d P B 2
H188 H 0.8538 0.5390 0.1938 0.085 Uiso 0.457(7) 1 calc PR B 2
H189 H 0.7452 0.5684 0.1657 0.085 Uiso 0.457(7) 1 calc PR B 2
C81 C 0.7474(9) 0.5461(5) 0.2603(5) 0.058(2) Uiso 0.457(7) 1 d P B 2
H190 H 0.8078 0.5493 0.3037 0.069 Uiso 0.457(7) 1 calc PR B 2
H191 H 0.6991 0.5787 0.2756 0.069 Uiso 0.457(7) 1 calc PR B 2
C82 C 0.6751(12) 0.4698(7) 0.2228(7) 0.088(4) Uiso 0.457(7) 1 d P B 2
H192 H 0.6189 0.4656 0.1773 0.106 Uiso 0.457(7) 1 calc PR B 2
H193 H 0.7245 0.4367 0.2112 0.106 Uiso 0.457(7) 1 calc PR B 2
C83 C 0.6152(15) 0.4488(9) 0.2667(9) 0.086(5) Uiso 0.457(7) 1 d P B 2
H203 H 0.6738 0.4545 0.3120 0.103 Uiso 0.457(7) 1 calc PR B 2
H204 H 0.5777 0.3963 0.2422 0.103 Uiso 0.457(7) 1 calc PR B 2
C84 C 0.5205(18) 0.4879(11) 0.2879(11) 0.154(7) Uiso 0.457(7) 1 d P B 2
H197 H 0.5183 0.4876 0.3348 0.231 Uiso 0.457(7) 1 calc PR B 2
H198 H 0.4452 0.4621 0.2517 0.231 Uiso 0.457(7) 1 calc PR B 2
H199 H 0.5397 0.5381 0.2903 0.231 Uiso 0.457(7) 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
_geom_angle_publ_flag
C4 Si1 C3 47.94(12) . . ?
C4 Si1 C7 115.26(12) . . ?
C3 Si1 C7 120.51(12) . . ?
C4 Si1 Si2 97.53(9) . . ?
C3 Si1 Si2 77.36(9) . . ?
C7 Si1 Si2 146.80(9) . . ?
C1 Si2 C2 47.85(12) . . ?
C1 Si2 C37 115.30(12) . . ?
C2 Si2 C37 120.52(12) . . ?
C1 Si2 Si1 97.66(9) . . ?
C2 Si2 Si1 77.24(9) . . ?
C37 Si2 Si1 146.57(9) . . ?
C2 C1 Si2 66.81(15) . . ?
C5 C2 C3 117.4(2) . . ?
C5 C2 C1 117.7(2) . . ?
C3 C2 C1 113.7(2) . . ?
C5 C2 Si2 129.8(2) . . ?
C3 C2 Si2 102.48(18) . . ?
C1 C2 Si2 65.34(15) . . ?
C2 C3 C6 117.6(2) . . ?
C2 C3 C4 113.5(2) . . ?
C6 C3 C4 117.5(2) . . ?
C2 C3 Si1 102.83(18) . . ?
C6 C3 Si1 129.5(2) . . ?
C4 C3 Si1 65.45(15) . . ?
C3 C4 Si1 66.61(15) . . ?
C12 C7 C8 117.7(2) . . ?
C12 C7 Si1 120.33(19) . . ?
C8 C7 Si1 121.6(2) . . ?
C9 C8 C7 119.7(2) . . ?
C9 C8 C13 117.9(2) . . ?
C7 C8 C13 122.4(2) . . ?
C8 C9 C10 123.3(2) . . ?
C11 C10 C9 115.9(2) . . ?
C11 C10 C14 123.4(2) . . ?
C9 C10 C14 120.7(2) . . ?
C10 C11 C12 123.2(3) . . ?
C11 C12 C7 120.1(2) . . ?
C11 C12 C15 117.6(2) . . ?
C7 C12 C15 122.2(2) . . ?
C8 C13 Si3 111.62(19) . . ?
C8 C13 Si4 115.28(18) . . ?
Si3 C13 Si4 116.49(14) . . ?
C10 C14 Si6 115.91(19) . . ?
C10 C14 Si5 105.96(18) . . ?
Si6 C14 Si5 107.03(14) . . ?
C10 C14 Si7 103.61(18) . . ?
Si6 C14 Si7 106.57(14) . . ?
Si5 C14 Si7 118.21(15) . . ?
C12 C15 Si8 109.66(19) . . ?
C12 C15 Si9 116.61(19) . . ?
Si8 C15 Si9 115.51(14) . . ?
C18 Si3 C17 106.44(15) . . ?
C18 Si3 C16 106.53(16) . . ?
C17 Si3 C16 110.88(15) . . ?
C18 Si3 C13 116.52(14) . . ?
C17 Si3 C13 108.56(14) . . ?
C16 Si3 C13 107.90(13) . . ?
C21 Si4 C19 107.34(17) . . ?
C21 Si4 C20 108.54(16) . . ?
C19 Si4 C20 106.01(18) . . ?
C21 Si4 C13 110.71(13) . . ?
C19 Si4 C13 109.99(14) . . ?
C20 Si4 C13 113.95(15) . . ?
C23 Si5 C22 110.17(16) . . ?
C23 Si5 C24 100.71(17) . . ?
C22 Si5 C24 104.59(16) . . ?
C23 Si5 C14 115.72(14) . . ?
C22 Si5 C14 108.52(14) . . ?
C24 Si5 C14 116.42(15) . . ?
C25 Si6 C26 106.98(17) . . ?
C25 Si6 C27 105.16(16) . . ?
C26 Si6 C27 103.86(16) . . ?
C25 Si6 C14 113.04(15) . . ?
C26 Si6 C14 114.15(15) . . ?
C27 Si6 C14 112.82(14) . . ?
C30 Si7 C28 107.32(16) . . ?
C30 Si7 C29 102.20(17) . . ?
C28 Si7 C29 105.31(16) . . ?
C30 Si7 C14 116.55(14) . . ?
C28 Si7 C14 108.75(14) . . ?
C29 Si7 C14 115.84(15) . . ?
C33 Si8 C31 108.91(18) . . ?
C33 Si8 C32 106.75(17) . . ?
C31 Si8 C32 108.92(16) . . ?
C33 Si8 C15 114.94(14) . . ?
C31 Si8 C15 108.72(16) . . ?
C32 Si8 C15 108.46(13) . . ?
C35 Si9 C36 108.32(15) . . ?
C35 Si9 C34 105.38(15) . . ?
C36 Si9 C34 108.17(15) . . ?
C35 Si9 C15 113.74(15) . . ?
C36 Si9 C15 111.48(13) . . ?
C34 Si9 C15 109.45(14) . . ?
C42 C37 C38 117.6(2) . . ?
C42 C37 Si2 120.0(2) . . ?
C38 C37 Si2 121.8(2) . . ?
C39 C38 C37 119.7(2) . . ?
C39 C38 C43 118.1(2) . . ?
C37 C38 C43 122.1(2) . . ?
C40 C39 C38 123.2(3) . . ?
C41 C40 C39 115.8(2) . . ?
C41 C40 C44 122.4(3) . . ?
C39 C40 C44 121.7(3) . . ?
C40 C41 C42 123.3(3) . . ?
C41 C42 C37 120.1(2) . . ?
C41 C42 C45 117.9(2) . . ?
C37 C42 C45 122.0(2) . . ?
C38 C43 Si10 113.06(18) . . ?
C38 C43 Si11 113.79(18) . . ?
Si10 C43 Si11 115.98(14) . . ?
C40 C44 Si17 104.4(2) . . ?
C40 C44 Si18 118.6(2) . . ?
Si17 C44 Si18 116.7(2) . . ?
C40 C44 Si15 106.4(2) . . ?
Si17 C44 Si15 149.2(2) . . ?
Si18 C44 Si15 46.20(14) . . ?
C40 C44 Si16 117.7(2) . . ?
Si17 C44 Si16 53.89(14) . . ?
Si18 C44 Si16 123.05(19) . . ?
Si15 C44 Si16 109.30(18) . . ?
C40 C44 Si14 103.4(2) . . ?
Si17 C44 Si14 56.16(15) . . ?
Si18 C44 Si14 69.73(16) . . ?
Si15 C44 Si14 115.93(17) . . ?
Si16 C44 Si14 104.42(15) . . ?
C40 C44 Si19 99.1(2) . . ?
Si17 C44 Si19 116.2(2) . . ?
Si18 C44 Si19 100.9(2) . . ?
Si15 C44 Si19 58.05(14) . . ?
Si16 C44 Si19 62.55(14) . . ?
Si14 C44 Si19 157.42(18) . . ?
C42 C45 Si12 109.26(19) . . ?
C42 C45 Si13 116.88(19) . . ?
Si12 C45 Si13 115.61(14) . . ?
C47 Si10 C46 110.80(15) . . ?
C47 Si10 C48 107.18(16) . . ?
C46 Si10 C48 105.30(16) . . ?
C47 Si10 C43 107.90(13) . . ?
C46 Si10 C43 109.56(14) . . ?
C48 Si10 C43 116.07(14) . . ?
C51 Si11 C49 106.98(14) . . ?
C51 Si11 C50 109.13(15) . . ?
C49 Si11 C50 106.55(16) . . ?
C51 Si11 C43 110.35(13) . . ?
C49 Si11 C43 110.08(13) . . ?
C50 Si11 C43 113.49(14) . . ?
C52 Si12 C54 109.40(18) . . ?
C52 Si12 C53 108.46(17) . . ?
C54 Si12 C53 106.38(17) . . ?
C52 Si12 C45 108.18(16) . . ?
C54 Si12 C45 115.37(15) . . ?
C53 Si12 C45 108.88(13) . . ?
C57 Si13 C55 108.22(17) . . ?
C57 Si13 C56 107.67(17) . . ?
C55 Si13 C56 106.52(18) . . ?
C57 Si13 C45 111.13(13) . . ?
C55 Si13 C45 109.67(15) . . ?
C56 Si13 C45 113.41(16) . . ?
C59 Si14 C60 101.0(3) . . ?
C59 Si14 C58 111.9(3) . . ?
C60 Si14 C58 106.5(5) . . ?
C59 Si14 C44 111.20(19) . . ?
C60 Si14 C44 117.5(3) . . ?
C58 Si14 C44 108.6(3) . . ?
C72 Si15 C62 102.2(3) . . ?
C72 Si15 C61 104.0(3) . . ?
C62 Si15 C61 105.7(5) . . ?
C72 Si15 C44 120.80(18) . . ?
C62 Si15 C44 116.2(3) . . ?
C61 Si15 C44 106.5(3) . . ?
C64 Si16 C63 107.8(7) . . ?
C64 Si16 C65 101.2(6) . . ?
C63 Si16 C65 104.9(2) . . ?
C64 Si16 C44 112.4(6) . . ?
C63 Si16 C44 114.63(17) . . ?
C65 Si16 C44 114.8(2) . . ?
Si14 C59 Si18 65.42(16) . . ?
Si17 C63 Si16 53.44(14) . . ?
C44 Si17 C63 122.0(2) . . ?
C44 Si17 C66 113.1(5) . . ?
C63 Si17 C66 103.7(6) . . ?
C44 Si17 C70 103.4(5) . . ?
C63 Si17 C70 111.3(6) . . ?
C66 Si17 C70 101.6(8) . . ?
C44 Si18 C72 119.7(2) . . ?
C44 Si18 C67 114.0(4) . . ?
C72 Si18 C67 106.3(5) . . ?
C44 Si18 C59 104.9(2) . . ?
C72 Si18 C59 106.1(2) . . ?
C67 Si18 C59 104.6(4) . . ?
C71 Si19 C69 115.3(11) . . ?
C71 Si19 C68 102.8(9) . . ?
C69 Si19 C68 102.3(7) . . ?
C71 Si19 C44 112.2(7) . . ?
C69 Si19 C44 108.6(5) . . ?
C68 Si19 C44 115.2(4) . . ?
Si15 C72 Si18 46.83(14) . . ?
C73 C74 C75 112.0(7) . . ?
C76 C75 C74 113.6(7) . . ?
C75 C76 C77 109.0(7) . . ?
C78 C77 C76 117.2(9) . . ?
C79 C80 C81 110.1(9) . . ?
C82 C81 C80 110.9(9) . . ?
C83 C82 C81 111.0(12) . . ?
C82 C83 C84 120.6(14) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C4 1.878(3) . ?
Si1 C3 1.895(3) . ?
Si1 C7 1.903(3) . ?
Si1 Si2 2.3459(10) . ?
Si2 C1 1.880(3) . ?
Si2 C2 1.902(3) . ?
Si2 C37 1.906(3) . ?
C1 C2 1.534(4) . ?
C2 C5 1.509(4) . ?
C2 C3 1.512(4) . ?
C3 C6 1.514(4) . ?
C3 C4 1.533(4) . ?
C7 C12 1.418(4) . ?
C7 C8 1.421(4) . ?
C8 C9 1.404(4) . ?
C8 C13 1.525(4) . ?
C9 C10 1.407(4) . ?
C10 C11 1.392(4) . ?
C10 C14 1.560(4) . ?
C11 C12 1.405(4) . ?
C12 C15 1.523(4) . ?
C13 Si3 1.900(3) . ?
C13 Si4 1.911(3) . ?
C14 Si6 1.925(3) . ?
C14 Si5 1.935(3) . ?
C14 Si7 1.937(3) . ?
C15 Si8 1.897(3) . ?
C15 Si9 1.911(3) . ?
Si3 C18 1.871(3) . ?
Si3 C17 1.872(3) . ?
Si3 C16 1.873(3) . ?
Si4 C21 1.871(3) . ?
Si4 C19 1.872(4) . ?
Si4 C20 1.880(4) . ?
Si5 C23 1.870(4) . ?
Si5 C22 1.872(3) . ?
Si5 C24 1.880(3) . ?
Si6 C25 1.877(4) . ?
Si6 C26 1.881(4) . ?
Si6 C27 1.892(3) . ?
Si7 C30 1.875(3) . ?
Si7 C28 1.878(3) . ?
Si7 C29 1.883(3) . ?
Si8 C33 1.864(3) . ?
Si8 C31 1.867(3) . ?
Si8 C32 1.868(3) . ?
Si9 C35 1.873(3) . ?
Si9 C36 1.874(3) . ?
Si9 C34 1.874(3) . ?
C37 C42 1.419(4) . ?
C37 C38 1.423(4) . ?
C38 C39 1.406(4) . ?
C38 C43 1.520(4) . ?
C39 C40 1.404(4) . ?
C40 C41 1.395(4) . ?
C40 C44 1.560(4) . ?
C41 C42 1.403(4) . ?
C42 C45 1.520(4) . ?
C43 Si10 1.903(3) . ?
C43 Si11 1.915(3) . ?
C44 Si17 1.794(4) . ?
C44 Si18 1.847(4) . ?
C44 Si15 1.882(3) . ?
C44 Si16 1.914(3) . ?
C44 Si14 2.012(4) . ?
C44 Si19 2.135(5) . ?
C45 Si12 1.900(3) . ?
C45 Si13 1.906(3) . ?
Si10 C47 1.872(3) . ?
Si10 C46 1.873(3) . ?
Si10 C48 1.874(3) . ?
Si11 C51 1.867(3) . ?
Si11 C49 1.868(3) . ?
Si11 C50 1.876(3) . ?
Si12 C52 1.863(4) . ?
Si12 C54 1.865(3) . ?
Si12 C53 1.869(3) . ?
Si13 C57 1.872(3) . ?
Si13 C55 1.878(4) . ?
Si13 C56 1.878(4) . ?
Si14 C59 1.873(4) . ?
Si14 C60 1.879(7) . ?
Si14 C58 1.893(12) . ?
Si15 C72 1.813(4) . ?
Si15 C62 1.855(6) . ?
Si15 C61 1.861(9) . ?
Si16 C64 1.879(16) . ?
Si16 C63 1.884(4) . ?
Si16 C65 1.892(5) . ?
C59 Si18 2.187(6) . ?
C63 Si17 1.861(5) . ?
Si17 C66 1.931(13) . ?
Si17 C70 1.935(17) . ?
Si18 C72 1.868(5) . ?
Si18 C67 1.889(10) . ?
Si19 C71 1.83(3) . ?
Si19 C69 1.872(13) . ?
Si19 C68 1.904(12) . ?
C73 C74 1.481(11) . ?
C74 C75 1.532(11) . ?
C75 C76 1.528(12) . ?
C76 C77 1.644(13) . ?
C77 C78 1.489(18) . ?
C79 C80 1.474(15) . ?
C80 C81 1.588(14) . ?
C81 C82 1.496(16) . ?
C82 C83 1.43(2) . ?
C83 C84 1.60(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
C4 Si1 Si2 C1 85.44(13) . . . . ?
C3 Si1 Si2 C1 41.68(13) . . . . ?
C7 Si1 Si2 C1 -85.72(18) . . . . ?
C4 Si1 Si2 C2 41.88(13) . . . . ?
C3 Si1 Si2 C2 -1.88(12) . . . . ?
C7 Si1 Si2 C2 -129.28(18) . . . . ?
C4 Si1 Si2 C37 -85.14(19) . . . . ?
C3 Si1 Si2 C37 -128.90(18) . . . . ?
C7 Si1 Si2 C37 103.7(2) . . . . ?
C37 Si2 C1 C2 109.26(17) . . . . ?
Si1 Si2 C1 C2 -65.02(14) . . . . ?
Si2 C1 C2 C5 -123.7(2) . . . . ?
Si2 C1 C2 C3 93.3(2) . . . . ?
C1 Si2 C2 C5 106.4(3) . . . . ?
C37 Si2 C2 C5 8.7(3) . . . . ?
Si1 Si2 C2 C5 -140.6(3) . . . . ?
C1 Si2 C2 C3 -110.6(2) . . . . ?
C37 Si2 C2 C3 151.65(17) . . . . ?
Si1 Si2 C2 C3 2.35(15) . . . . ?
C37 Si2 C2 C1 -97.79(18) . . . . ?
Si1 Si2 C2 C1 112.91(15) . . . . ?
C5 C2 C3 C6 -65.5(4) . . . . ?
C1 C2 C3 C6 77.6(3) . . . . ?
Si2 C2 C3 C6 145.9(2) . . . . ?
C5 C2 C3 C4 77.2(3) . . . . ?
C1 C2 C3 C4 -139.8(2) . . . . ?
Si2 C2 C3 C4 -71.5(2) . . . . ?
C5 C2 C3 Si1 145.7(2) . . . . ?
C1 C2 C3 Si1 -71.2(2) . . . . ?
Si2 C2 C3 Si1 -2.92(19) . . . . ?
C4 Si1 C3 C2 -110.2(2) . . . . ?
C7 Si1 C3 C2 152.04(17) . . . . ?
Si2 Si1 C3 C2 2.36(16) . . . . ?
C4 Si1 C3 C6 106.3(3) . . . . ?
C7 Si1 C3 C6 8.5(3) . . . . ?
Si2 Si1 C3 C6 -141.1(3) . . . . ?
C7 Si1 C3 C4 -97.79(18) . . . . ?
Si2 Si1 C3 C4 112.54(15) . . . . ?
C2 C3 C4 Si1 93.9(2) . . . . ?
C6 C3 C4 Si1 -123.4(2) . . . . ?
C7 Si1 C4 C3 109.29(16) . . . . ?
Si2 Si1 C4 C3 -65.38(14) . . . . ?
C4 Si1 C7 C12 -116.2(2) . . . . ?
C3 Si1 C7 C12 -61.8(2) . . . . ?
Si2 Si1 C7 C12 54.1(3) . . . . ?
C4 Si1 C7 C8 56.4(2) . . . . ?
C3 Si1 C7 C8 110.8(2) . . . . ?
Si2 Si1 C7 C8 -133.34(18) . . . . ?
C12 C7 C8 C9 3.4(4) . . . . ?
Si1 C7 C8 C9 -169.4(2) . . . . ?
C12 C7 C8 C13 -176.4(2) . . . . ?
Si1 C7 C8 C13 10.8(3) . . . . ?
C7 C8 C9 C10 -1.6(4) . . . . ?
C13 C8 C9 C10 178.2(2) . . . . ?
C8 C9 C10 C11 -1.4(4) . . . . ?
C8 C9 C10 C14 177.6(2) . . . . ?
C9 C10 C11 C12 2.5(4) . . . . ?
C14 C10 C11 C12 -176.5(3) . . . . ?
C10 C11 C12 C7 -0.6(4) . . . . ?
C10 C11 C12 C15 -179.1(3) . . . . ?
C8 C7 C12 C11 -2.4(4) . . . . ?
Si1 C7 C12 C11 170.5(2) . . . . ?
C8 C7 C12 C15 176.1(2) . . . . ?
Si1 C7 C12 C15 -11.1(3) . . . . ?
C9 C8 C13 Si3 -71.2(3) . . . . ?
C7 C8 C13 Si3 108.6(2) . . . . ?
C9 C8 C13 Si4 64.7(3) . . . . ?
C7 C8 C13 Si4 -115.5(2) . . . . ?
C11 C10 C14 Si6 -2.6(4) . . . . ?
C9 C10 C14 Si6 178.5(2) . . . . ?
C11 C10 C14 Si5 -121.1(3) . . . . ?
C9 C10 C14 Si5 60.0(3) . . . . ?
C11 C10 C14 Si7 113.7(3) . . . . ?
C9 C10 C14 Si7 -65.1(3) . . . . ?
C11 C12 C15 Si8 84.3(3) . . . . ?
C7 C12 C15 Si8 -94.2(3) . . . . ?
C11 C12 C15 Si9 -49.4(3) . . . . ?
C7 C12 C15 Si9 132.1(2) . . . . ?
C8 C13 Si3 C18 72.1(2) . . . . ?
Si4 C13 Si3 C18 -63.2(2) . . . . ?
C8 C13 Si3 C17 -167.85(19) . . . . ?
Si4 C13 Si3 C17 56.85(19) . . . . ?
C8 C13 Si3 C16 -47.6(2) . . . . ?
Si4 C13 Si3 C16 177.08(15) . . . . ?
C8 C13 Si4 C21 19.1(2) . . . . ?
Si3 C13 Si4 C21 152.75(16) . . . . ?
C8 C13 Si4 C19 137.5(2) . . . . ?
Si3 C13 Si4 C19 -88.8(2) . . . . ?
C8 C13 Si4 C20 -103.6(2) . . . . ?
Si3 C13 Si4 C20 30.1(2) . . . . ?
C10 C14 Si5 C23 -91.7(2) . . . . ?
Si6 C14 Si5 C23 144.04(15) . . . . ?
Si7 C14 Si5 C23 23.8(2) . . . . ?
C10 C14 Si5 C22 32.7(2) . . . . ?
Si6 C14 Si5 C22 -91.56(17) . . . . ?
Si7 C14 Si5 C22 148.25(17) . . . . ?
C10 C14 Si5 C24 150.3(2) . . . . ?
Si6 C14 Si5 C24 26.0(2) . . . . ?
Si7 C14 Si5 C24 -94.2(2) . . . . ?
C10 C14 Si6 C25 -59.9(2) . . . . ?
Si5 C14 Si6 C25 58.05(18) . . . . ?
Si7 C14 Si6 C25 -174.58(15) . . . . ?
C10 C14 Si6 C26 62.7(2) . . . . ?
Si5 C14 Si6 C26 -179.37(14) . . . . ?
Si7 C14 Si6 C26 -52.00(19) . . . . ?
C10 C14 Si6 C27 -179.1(2) . . . . ?
Si5 C14 Si6 C27 -61.1(2) . . . . ?
Si7 C14 Si6 C27 66.3(2) . . . . ?
C10 C14 Si7 C30 81.3(2) . . . . ?
Si6 C14 Si7 C30 -155.97(15) . . . . ?
Si5 C14 Si7 C30 -35.5(2) . . . . ?
C10 C14 Si7 C28 -40.1(2) . . . . ?
Si6 C14 Si7 C28 82.63(17) . . . . ?
Si5 C14 Si7 C28 -156.95(16) . . . . ?
C10 C14 Si7 C29 -158.4(2) . . . . ?
Si6 C14 Si7 C29 -35.7(2) . . . . ?
Si5 C14 Si7 C29 84.8(2) . . . . ?
C12 C15 Si8 C33 -67.7(2) . . . . ?
Si9 C15 Si8 C33 66.6(2) . . . . ?
C12 C15 Si8 C31 170.0(2) . . . . ?
Si9 C15 Si8 C31 -55.8(2) . . . . ?
C12 C15 Si8 C32 51.7(2) . . . . ?
Si9 C15 Si8 C32 -174.07(15) . . . . ?
C12 C15 Si9 C35 92.1(2) . . . . ?
Si8 C15 Si9 C35 -38.9(2) . . . . ?
C12 C15 Si9 C36 -30.7(2) . . . . ?
Si8 C15 Si9 C36 -161.68(15) . . . . ?
C12 C15 Si9 C34 -150.3(2) . . . . ?
Si8 C15 Si9 C34 78.69(19) . . . . ?
C1 Si2 C37 C42 -114.5(2) . . . . ?
C2 Si2 C37 C42 -60.2(3) . . . . ?
Si1 Si2 C37 C42 55.2(3) . . . . ?
C1 Si2 C37 C38 56.6(3) . . . . ?
C2 Si2 C37 C38 110.9(2) . . . . ?
Si1 Si2 C37 C38 -133.77(19) . . . . ?
C42 C37 C38 C39 3.7(4) . . . . ?
Si2 C37 C38 C39 -167.6(2) . . . . ?
C42 C37 C38 C43 -175.8(2) . . . . ?
Si2 C37 C38 C43 12.9(4) . . . . ?
C37 C38 C39 C40 -0.5(4) . . . . ?
C43 C38 C39 C40 179.0(3) . . . . ?
C38 C39 C40 C41 -2.9(4) . . . . ?
C38 C39 C40 C44 177.7(3) . . . . ?
C39 C40 C41 C42 3.2(4) . . . . ?
C44 C40 C41 C42 -177.4(3) . . . . ?
C40 C41 C42 C37 -0.1(4) . . . . ?
C40 C41 C42 C45 -177.8(3) . . . . ?
C38 C37 C42 C41 -3.4(4) . . . . ?
Si2 C37 C42 C41 168.0(2) . . . . ?
C38 C37 C42 C45 174.2(2) . . . . ?
Si2 C37 C42 C45 -14.4(3) . . . . ?
C39 C38 C43 Si10 -74.2(3) . . . . ?
C37 C38 C43 Si10 105.3(3) . . . . ?
C39 C38 C43 Si11 60.8(3) . . . . ?
C37 C38 C43 Si11 -119.7(2) . . . . ?
C41 C40 C44 Si17 -61.5(4) . . . . ?
C39 C40 C44 Si17 117.9(3) . . . . ?
C41 C40 C44 Si18 166.5(3) . . . . ?
C39 C40 C44 Si18 -14.1(4) . . . . ?
C41 C40 C44 Si15 118.0(3) . . . . ?
C39 C40 C44 Si15 -62.7(3) . . . . ?
C41 C40 C44 Si16 -5.0(4) . . . . ?
C39 C40 C44 Si16 174.4(2) . . . . ?
C41 C40 C44 Si14 -119.5(3) . . . . ?
C39 C40 C44 Si14 59.9(3) . . . . ?
C41 C40 C44 Si19 58.7(3) . . . . ?
C39 C40 C44 Si19 -121.9(3) . . . . ?
C41 C42 C45 Si12 85.4(3) . . . . ?
C37 C42 C45 Si12 -92.3(3) . . . . ?
C41 C42 C45 Si13 -48.3(3) . . . . ?
C37 C42 C45 Si13 134.1(2) . . . . ?
C38 C43 Si10 C47 -170.9(2) . . . . ?
Si11 C43 Si10 C47 55.02(19) . . . . ?
C38 C43 Si10 C46 -50.2(2) . . . . ?
Si11 C43 Si10 C46 175.74(15) . . . . ?
C38 C43 Si10 C48 68.8(2) . . . . ?
Si11 C43 Si10 C48 -65.2(2) . . . . ?
C38 C43 Si11 C51 22.1(2) . . . . ?
Si10 C43 Si11 C51 155.77(14) . . . . ?
C38 C43 Si11 C49 139.9(2) . . . . ?
Si10 C43 Si11 C49 -86.38(18) . . . . ?
C38 C43 Si11 C50 -100.8(2) . . . . ?
Si10 C43 Si11 C50 32.9(2) . . . . ?
C42 C45 Si12 C52 172.5(2) . . . . ?
Si13 C45 Si12 C52 -53.2(2) . . . . ?
C42 C45 Si12 C54 -64.6(2) . . . . ?
Si13 C45 Si12 C54 69.7(2) . . . . ?
C42 C45 Si12 C53 54.9(2) . . . . ?
Si13 C45 Si12 C53 -170.83(16) . . . . ?
C42 C45 Si13 C57 -30.8(3) . . . . ?
Si12 C45 Si13 C57 -161.60(16) . . . . ?
C42 C45 Si13 C55 -150.4(2) . . . . ?
Si12 C45 Si13 C55 78.8(2) . . . . ?
C42 C45 Si13 C56 90.6(2) . . . . ?
Si12 C45 Si13 C56 -40.1(2) . . . . ?
C40 C44 Si14 C59 -90.5(2) . . . . ?
Si17 C44 Si14 C59 170.9(2) . . . . ?
Si18 C44 Si14 C59 25.4(2) . . . . ?
Si15 C44 Si14 C59 25.5(2) . . . . ?
Si16 C44 Si14 C59 145.77(18) . . . . ?
Si19 C44 Si14 C59 94.2(5) . . . . ?
C40 C44 Si14 C60 153.9(4) . . . . ?
Si17 C44 Si14 C60 55.3(4) . . . . ?
Si18 C44 Si14 C60 -90.2(4) . . . . ?
Si15 C44 Si14 C60 -90.1(4) . . . . ?
Si16 C44 Si14 C60 30.2(4) . . . . ?
Si19 C44 Si14 C60 -21.4(6) . . . . ?
C40 C44 Si14 C58 33.0(3) . . . . ?
Si17 C44 Si14 C58 -65.5(3) . . . . ?
Si18 C44 Si14 C58 149.0(3) . . . . ?
Si15 C44 Si14 C58 149.0(3) . . . . ?
Si16 C44 Si14 C58 -90.7(3) . . . . ?
Si19 C44 Si14 C58 -142.3(5) . . . . ?
C40 C44 Si15 C72 71.7(3) . . . . ?
Si17 C44 Si15 C72 -109.4(5) . . . . ?
Si18 C44 Si15 C72 -42.5(2) . . . . ?
Si16 C44 Si15 C72 -160.21(18) . . . . ?
Si14 C44 Si15 C72 -42.6(2) . . . . ?
Si19 C44 Si15 C72 162.4(2) . . . . ?
C40 C44 Si15 C62 -163.8(4) . . . . ?
Si17 C44 Si15 C62 15.1(6) . . . . ?
Si18 C44 Si15 C62 82.0(4) . . . . ?
Si16 C44 Si15 C62 -35.7(4) . . . . ?
Si14 C44 Si15 C62 81.9(4) . . . . ?
Si19 C44 Si15 C62 -73.1(4) . . . . ?
C40 C44 Si15 C61 -46.4(4) . . . . ?
Si17 C44 Si15 C61 132.5(5) . . . . ?
Si18 C44 Si15 C61 -160.6(4) . . . . ?
Si16 C44 Si15 C61 81.7(4) . . . . ?
Si14 C44 Si15 C61 -160.7(4) . . . . ?
Si19 C44 Si15 C61 44.3(4) . . . . ?
C40 C44 Si16 C64 66.2(7) . . . . ?
Si17 C44 Si16 C64 154.2(6) . . . . ?
Si18 C44 Si16 C64 -104.9(7) . . . . ?
Si15 C44 Si16 C64 -55.2(6) . . . . ?
Si14 C44 Si16 C64 -179.8(6) . . . . ?
Si19 C44 Si16 C64 -19.6(6) . . . . ?
C40 C44 Si16 C63 -57.3(3) . . . . ?
Si17 C44 Si16 C63 30.7(2) . . . . ?
Si18 C44 Si16 C63 131.6(2) . . . . ?
Si15 C44 Si16 C63 -178.73(16) . . . . ?
Si14 C44 Si16 C63 56.6(2) . . . . ?
Si19 C44 Si16 C63 -143.20(17) . . . . ?
C40 C44 Si16 C65 -178.9(3) . . . . ?
Si17 C44 Si16 C65 -90.9(3) . . . . ?
Si18 C44 Si16 C65 10.0(4) . . . . ?
Si15 C44 Si16 C65 59.7(3) . . . . ?
Si14 C44 Si16 C65 -64.9(3) . . . . ?
Si19 C44 Si16 C65 95.2(3) . . . . ?
C60 Si14 C59 Si18 103.5(4) . . . . ?
C58 Si14 C59 Si18 -143.6(4) . . . . ?
C44 Si14 C59 Si18 -21.96(17) . . . . ?
C64 Si16 C63 Si17 -155.6(6) . . . . ?
C65 Si16 C63 Si17 97.1(3) . . . . ?
C44 Si16 C63 Si17 -29.67(19) . . . . ?
C40 C44 Si17 C63 80.4(3) . . . . ?
Si18 C44 Si17 C63 -146.5(3) . . . . ?
Si15 C44 Si17 C63 -98.5(5) . . . . ?
Si16 C44 Si17 C63 -33.7(2) . . . . ?
Si14 C44 Si17 C63 177.0(3) . . . . ?
Si19 C44 Si17 C63 -27.6(3) . . . . ?
C40 C44 Si17 C66 -154.8(7) . . . . ?
Si18 C44 Si17 C66 -21.7(7) . . . . ?
Si15 C44 Si17 C66 26.3(9) . . . . ?
Si16 C44 Si17 C66 91.1(7) . . . . ?
Si14 C44 Si17 C66 -58.2(7) . . . . ?
Si19 C44 Si17 C66 97.2(7) . . . . ?
C40 C44 Si17 C70 -45.7(7) . . . . ?
Si18 C44 Si17 C70 87.4(7) . . . . ?
Si15 C44 Si17 C70 135.4(7) . . . . ?
Si16 C44 Si17 C70 -159.8(7) . . . . ?
Si14 C44 Si17 C70 50.9(6) . . . . ?
Si19 C44 Si17 C70 -153.7(6) . . . . ?
Si16 C63 Si17 C44 34.5(2) . . . . ?
Si16 C63 Si17 C66 -94.5(6) . . . . ?
Si16 C63 Si17 C70 157.0(6) . . . . ?
C40 C44 Si18 C72 -45.0(4) . . . . ?
Si17 C44 Si18 C72 -171.4(2) . . . . ?
Si15 C44 Si18 C72 40.5(2) . . . . ?
Si16 C44 Si18 C72 126.0(3) . . . . ?
Si14 C44 Si18 C72 -139.6(3) . . . . ?
Si19 C44 Si18 C72 61.8(3) . . . . ?
C40 C44 Si18 C67 -172.4(5) . . . . ?
Si17 C44 Si18 C67 61.3(6) . . . . ?
Si15 C44 Si18 C67 -86.9(5) . . . . ?
Si16 C44 Si18 C67 -1.4(6) . . . . ?
Si14 C44 Si18 C67 93.0(5) . . . . ?
Si19 C44 Si18 C67 -65.6(5) . . . . ?
C40 C44 Si18 C59 73.8(3) . . . . ?
Si17 C44 Si18 C59 -52.5(3) . . . . ?
Si15 C44 Si18 C59 159.3(2) . . . . ?
Si16 C44 Si18 C59 -115.2(2) . . . . ?
Si14 C44 Si18 C59 -20.78(16) . . . . ?
Si19 C44 Si18 C59 -179.40(18) . . . . ?
Si14 C59 Si18 C44 23.14(18) . . . . ?
Si14 C59 Si18 C72 150.8(2) . . . . ?
Si14 C59 Si18 C67 -97.1(5) . . . . ?
C40 C44 Si19 C71 -85.5(10) . . . . ?
Si17 C44 Si19 C71 25.6(10) . . . . ?
Si18 C44 Si19 C71 152.8(10) . . . . ?
Si15 C44 Si19 C71 170.8(10) . . . . ?
Si16 C44 Si19 C71 31.1(10) . . . . ?
Si14 C44 Si19 C71 89.9(11) . . . . ?
C40 C44 Si19 C69 43.2(6) . . . . ?
Si17 C44 Si19 C69 154.3(5) . . . . ?
Si18 C44 Si19 C69 -78.5(5) . . . . ?
Si15 C44 Si19 C69 -60.5(5) . . . . ?
Si16 C44 Si19 C69 159.8(5) . . . . ?
Si14 C44 Si19 C69 -141.4(7) . . . . ?
C40 C44 Si19 C68 157.2(5) . . . . ?
Si17 C44 Si19 C68 -91.6(5) . . . . ?
Si18 C44 Si19 C68 35.6(5) . . . . ?
Si15 C44 Si19 C68 53.6(5) . . . . ?
Si16 C44 Si19 C68 -86.1(5) . . . . ?
Si14 C44 Si19 C68 -27.4(8) . . . . ?
C62 Si15 C72 Si18 -89.4(4) . . . . ?
C61 Si15 C72 Si18 160.7(4) . . . . ?
C44 Si15 C72 Si18 41.4(2) . . . . ?
C44 Si18 C72 Si15 -41.8(2) . . . . ?
C67 Si18 C72 Si15 89.0(4) . . . . ?
C59 Si18 C72 Si15 -160.1(2) . . . . ?
C73 C74 C75 C76 62.4(10) . . . . ?
C74 C75 C76 C77 169.4(7) . . . . ?
C75 C76 C77 C78 61.7(12) . . . . ?
C79 C80 C81 C82 -179.9(10) . . . . ?
C80 C81 C82 C83 -175.3(12) . . . . ?
C81 C82 C83 C84 64.8(19) . . . . ?
