data_exp_557_autored
_audit_creation_date               2023-12-01
_audit_creation_method
;
Olex2 1.5-ac5-018
(compiled 2021.09.08 svn.r13c46975 for Rigaku Oxford Diffraction, GUI svn.r6396)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Bourhis, L.J., Dolomanov, O.V., Gildea, R.J., Howard, J.A.K., Puschmann, H.
 (2015). Acta Cryst. A71, 59-75.

Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C108 H68 Si2'
_chemical_formula_sum              'C108 H68 Si2'
_chemical_formula_weight           1421.80
_chemical_melting_point            ?
_chemical_oxdiff_formula           C84Si2H34
_chemical_oxdiff_usercomment       'C60(SiDip2)2 e-type'
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'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/n 1'
_space_group_name_Hall             '-P 2yn'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                     18.3631(3)
_cell_length_b                     13.6696(2)
_cell_length_c                     27.6360(5)
_cell_angle_alpha                  90
_cell_angle_beta                   92.857(2)
_cell_angle_gamma                  90
_cell_volume                       6928.5(2)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      25029
_cell_measurement_temperature      99.9(2)
_cell_measurement_theta_max        31.2960
_cell_measurement_theta_min        2.4150
_shelx_estimated_absorpt_T_max     0.997
_shelx_estimated_absorpt_T_min     0.983
_exptl_absorpt_coefficient_mu      0.110
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.92051
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.35a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'metallic dark black'
_exptl_crystal_density_diffrn      1.363
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         plate
_exptl_crystal_F_000               2976
loop_
  _exptl_crystal_face_index_h
  _exptl_crystal_face_index_k
  _exptl_crystal_face_index_l
  _exptl_crystal_face_perp_dist
 -14 -14 -15 0.0399
 -16 15 5 0.0789
 15 14 15 0.0574
 16 -15 -6 0.0289
 -2 -19 -2 0.0429
 2 0 39 0.0100
 2 19 -2 0.0832
 -2 -1 -39 0.0142

_exptl_crystal_size_max            0.16
_exptl_crystal_size_mid            0.11
_exptl_crystal_size_min            0.03
loop_
  _exptl_oxdiff_crystal_face_indexfrac_h
  _exptl_oxdiff_crystal_face_indexfrac_k
  _exptl_oxdiff_crystal_face_indexfrac_l
  _exptl_oxdiff_crystal_face_x
  _exptl_oxdiff_crystal_face_y
  _exptl_oxdiff_crystal_face_z
 -14.1797 -13.9946 -15.0946 0.2846 0.3789 0.8806
 -16.1496 14.9287 5.2677 0.4423 0.5732 -0.6898
 14.6428 13.7277 15.0608 -0.2967 -0.3946 -0.8697
 15.5033 -15.2675 -5.7381 -0.4281 -0.5545 0.7136
 -2.2758 -19.1690 -1.8009 0.1807 -0.2543 0.9501
 2.3896 0.2673 38.5600 0.5238 -0.7624 -0.3799
 2.0280 19.1806 -2.2719 -0.2365 0.3354 -0.9119
 -2.4403 -0.7353 -38.5244 -0.5183 0.7547 0.4023

_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0321
_diffrn_reflns_av_unetI/netI       0.0400
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.822
_diffrn_reflns_limit_h_max         21
_diffrn_reflns_limit_h_min         -26
_diffrn_reflns_limit_k_max         19
_diffrn_reflns_limit_k_min         -19
_diffrn_reflns_limit_l_max         35
_diffrn_reflns_limit_l_min         -36
_diffrn_reflns_number              67750
_diffrn_reflns_point_group_measured_fraction_full  0.999
_diffrn_reflns_point_group_measured_fraction_max  0.822
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           31.631
_diffrn_reflns_theta_min           2.338
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        99.9(2)
_diffrn_detector                   'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean   10.0000
_diffrn_detector_type              HyPix
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.822
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -28.00  14.00   0.50   80.00    --    7.86 -28.00  31.00   84
  2  ω     -6.00  84.00   0.50   80.00    --    7.86  28.00-167.00  180
  3  ω    -17.00  41.00   0.50   80.00    --    7.86 -99.00   0.00  116
  4  ω      2.00  74.00   0.50   80.00    --    7.86  57.00 -90.00  144
  5  ω    -47.00 -22.00   0.50   80.00    --   -8.48 -38.00-150.00   50
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0291990000
_diffrn_orient_matrix_UB_12        -0.0074120000
_diffrn_orient_matrix_UB_13        0.0154445000
_diffrn_orient_matrix_UB_21        -0.0248907000
_diffrn_orient_matrix_UB_22        0.0179455000
_diffrn_orient_matrix_UB_23        -0.0183549000
_diffrn_orient_matrix_UB_31        -0.0047842000
_diffrn_orient_matrix_UB_32        -0.0481295000
_diffrn_orient_matrix_UB_33        -0.0092220000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Mo K\a'
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'Rotating-anode X-ray tube'
_diffrn_source_type                'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  14459
_reflns_number_total               19176
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.42.35a (Rigaku OD, 2021)'
_computing_data_collection         'CrysAlisPro 1.171.42.35a (Rigaku OD, 2021)'
_computing_data_reduction          'CrysAlisPro 1.171.42.35a (Rigaku OD, 2021)'
_computing_molecular_graphics      'Olex2 1.5-ac5-018 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5-ac5-018 (Dolomanov et al., 2009)'
_computing_structure_refinement   
 'olex2.refine 1.5-ac5-018 (Bourhis et al., 2015)'
_computing_structure_solution     
 'olex2.solve 1.5-ac5-018 (Bourhis et al., 2015)'
_refine_diff_density_max           0.485
_refine_diff_density_min           -0.399
_refine_diff_density_rms           0.060
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.027
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       1007
_refine_ls_number_reflns           19176
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0726
_refine_ls_R_factor_gt             0.0493
_refine_ls_restrained_S_all        1.027
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0641P)²+3.7052P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1182
_refine_ls_wR_factor_ref           0.1283
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C106(H106), C109(H109), C126(H126), C129(H129), C146(H146), C149(H149),
 C166(H166), C169(H169)
2.b Aromatic/amide H refined with riding coordinates:
 C102(H102), C103(H103), C104(H104), C122(H122), C123(H123), C124(H124),
 C142(H142), C143(H143), C144(H144), C162(H162), C163(H163), C164(H164)
2.c Idealised Me refined as rotating group:
 C107(H10A,H10B,H10C), C108(H10D,H10E,H10F), C110(H11A,H11B,H11C), C111(H11D,
 H11E,H11F), C127(H12A,H12B,H12C), C128(H12D,H12E,H12F), C130(H13A,H13B,H13C),
 C131(H13D,H13E,H13F), C147(H14A,H14B,H14C), C148(H14D,H14E,H14F), C150(H15A,
 H15B,H15C), C151(H15D,H15E,H15F), C167(H16A,H16B,H16C), C168(H16D,H16E,H16F),
 C170(H17A,H17B,H17C), C171(H17D,H17E,H17F)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       iterative
_atom_sites_solution_secondary     ?
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_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Si1 Si 0.53173(2) 0.20855(3) 0.88762(2) 0.01322(9) Uani 1 1 d . . . . .
 Si2 Si 0.54025(2) 0.20609(3) 0.61233(2) 0.01139(8) Uani 1 1 d . . . . .
 C1 C 0.54207(8) 0.31574(10) 0.84540(5) 0.0123(3) Uani 1 1 d . . . . .
 C2 C 0.53870(8) 0.42215(11) 0.85753(5) 0.0134(3) Uani 1 1 d . . . . .
 C3 C 0.58926(8) 0.47456(11) 0.82880(6) 0.0142(3) Uani 1 1 d . . . . .
 C4 C 0.61620(7) 0.40800(10) 0.79329(5) 0.0123(3) Uani 1 1 d . . . . .
 C5 C 0.58245(7) 0.31499(10) 0.79968(5) 0.0116(3) Uani 1 1 d . . . . .
 C6 C 0.56209(7) 0.26067(10) 0.75892(5) 0.0105(3) Uani 1 1 d . . . . .
 C7 C 0.49144(7) 0.21046(9) 0.75518(5) 0.0104(3) Uani 1 1 d . . . . .
 C8 C 0.44432(8) 0.21611(10) 0.79236(5) 0.0114(3) Uani 1 1 d . . . . .
 C9 C 0.46422(8) 0.25936(10) 0.84081(5) 0.0124(3) Uani 1 1 d . . . . .
 C10 C 0.40013(8) 0.32344(11) 0.84993(5) 0.0135(3) Uani 1 1 d . . . . .
 C11 C 0.40522(8) 0.41793(11) 0.86771(6) 0.0149(3) Uani 1 1 d . . . . .
 C12 C 0.47637(8) 0.46873(11) 0.87143(6) 0.0152(3) Uani 1 1 d . . . . .
 C13 C 0.46378(9) 0.56990(11) 0.85845(6) 0.0174(3) Uani 1 1 d . . . . .
 C14 C 0.51409(9) 0.62226(11) 0.83251(6) 0.0175(3) Uani 1 1 d . . . . .
 C15 C 0.57856(8) 0.57304(11) 0.81707(6) 0.0160(3) Uani 1 1 d . . . . .
 C16 C 0.59355(8) 0.60789(11) 0.76893(6) 0.0165(3) Uani 1 1 d . . . . .
 C17 C 0.61884(8) 0.54317(10) 0.73469(6) 0.0145(3) Uani 1 1 d . . . . .
 C18 C 0.63143(7) 0.44107(10) 0.74691(5) 0.0125(3) Uani 1 1 d . . . . .
 C19 C 0.61244(7) 0.38267(10) 0.70513(5) 0.0120(3) Uani 1 1 d . . . . .
 C20 C 0.57822(7) 0.29366(10) 0.71128(5) 0.0107(3) Uani 1 1 d . . . . .
 C21 C 0.52397(7) 0.25079(10) 0.67512(5) 0.0107(3) Uani 1 1 d . . . . .
 C22 C 0.46500(8) 0.21470(9) 0.70565(5) 0.0105(3) Uani 1 1 d . . . . .
 C23 C 0.39113(8) 0.22700(10) 0.69408(5) 0.0118(3) Uani 1 1 d . . . . .
 C24 C 0.34246(7) 0.23705(10) 0.73253(6) 0.0122(3) Uani 1 1 d . . . . .
 C25 C 0.36835(8) 0.23182(10) 0.78083(5) 0.0121(3) Uani 1 1 d . . . . .
 C26 C 0.34084(8) 0.29830(11) 0.81621(6) 0.0138(3) Uani 1 1 d . . . . .
 C27 C 0.28678(8) 0.36617(11) 0.80283(6) 0.0146(3) Uani 1 1 d . . . . .
 C28 C 0.29167(8) 0.46415(11) 0.82148(6) 0.0164(3) Uani 1 1 d . . . . .
 C29 C 0.35053(8) 0.48948(11) 0.85305(6) 0.0167(3) Uani 1 1 d . . . . .
 C30 C 0.38637(9) 0.58323(11) 0.84752(6) 0.0182(3) Uani 1 1 d . . . . .
 C31 C 0.36237(9) 0.64752(11) 0.81109(6) 0.0194(3) Uani 1 1 d . . . . .
 C32 C 0.41487(9) 0.70119(10) 0.78370(6) 0.0196(3) Uani 1 1 d . . . . .
 C33 C 0.48927(9) 0.68845(10) 0.79392(6) 0.0187(3) Uani 1 1 d . . . . .
 C34 C 0.53851(9) 0.67998(10) 0.75482(6) 0.0179(3) Uani 1 1 d . . . . .
 C35 C 0.51167(9) 0.68427(10) 0.70685(6) 0.0178(3) Uani 1 1 d . . . . .
 C36 C 0.53880(8) 0.61801(10) 0.67087(6) 0.0156(3) Uani 1 1 d . . . . .
 C37 C 0.59103(8) 0.54760(10) 0.68467(6) 0.0143(3) Uani 1 1 d . . . . .
 C38 C 0.58638(8) 0.44916(10) 0.66583(5) 0.0120(3) Uani 1 1 d . . . . .
 C39 C 0.52886(8) 0.42296(10) 0.63428(5) 0.0117(3) Uani 1 1 d . . . . .
 C40 C 0.49552(8) 0.32322(10) 0.63138(5) 0.0118(3) Uani 1 1 d . . . . .
 C41 C 0.41553(8) 0.34345(10) 0.62850(5) 0.0122(3) Uani 1 1 d . . . . .
 C42 C 0.36578(8) 0.29369(10) 0.65475(5) 0.0129(3) Uani 1 1 d . . . . .
 C43 C 0.30150(8) 0.34325(11) 0.67035(6) 0.0141(3) Uani 1 1 d . . . . .
 C44 C 0.28674(8) 0.30852(10) 0.71821(6) 0.0142(3) Uani 1 1 d . . . . .
 C45 C 0.25922(8) 0.37112(11) 0.75257(6) 0.0156(3) Uani 1 1 d . . . . .
 C46 C 0.24665(8) 0.47314(11) 0.74059(6) 0.0168(3) Uani 1 1 d . . . . .
 C47 C 0.26735(8) 0.53063(11) 0.78311(6) 0.0174(3) Uani 1 1 d . . . . .
 C48 C 0.30206(9) 0.62007(11) 0.77794(6) 0.0192(3) Uani 1 1 d . . . . .
 C49 C 0.31705(8) 0.65579(11) 0.73038(6) 0.0184(3) Uani 1 1 d . . . . .
 C50 C 0.38700(9) 0.70599(10) 0.73372(6) 0.0188(3) Uani 1 1 d . . . . .
 C51 C 0.43419(9) 0.69814(10) 0.69609(6) 0.0180(3) Uani 1 1 d . . . . .
 C52 C 0.41353(8) 0.64048(10) 0.65359(6) 0.0166(3) Uani 1 1 d . . . . .
 C53 C 0.47863(8) 0.59070(11) 0.63854(6) 0.0152(3) Uani 1 1 d . . . . .
 C54 C 0.47362(8) 0.49470(11) 0.62139(5) 0.0134(3) Uani 1 1 d . . . . .
 C55 C 0.40364(8) 0.44558(10) 0.61768(5) 0.0137(3) Uani 1 1 d . . . . .
 C56 C 0.34099(8) 0.49389(11) 0.63145(6) 0.0153(3) Uani 1 1 d . . . . .
 C57 C 0.28855(8) 0.44155(11) 0.65857(6) 0.0152(3) Uani 1 1 d . . . . .
 C58 C 0.26116(8) 0.50751(11) 0.69461(6) 0.0167(3) Uani 1 1 d . . . . .
 C59 C 0.29717(8) 0.60125(11) 0.68944(6) 0.0172(3) Uani 1 1 d . . . . .
 C60 C 0.34647(8) 0.59314(11) 0.65031(6) 0.0166(3) Uani 1 1 d . . . . .
 C100 C 0.50218(8) 0.24384(11) 0.94976(6) 0.0166(3) Uani 1 1 d . . . . .
 C101 C 0.42786(9) 0.24317(12) 0.96235(6) 0.0184(3) Uani 1 1 d . . . . .
 C102 C 0.40838(10) 0.29427(14) 1.00325(7) 0.0256(4) Uani 1 1 d . . . . .
 H102 H 0.358842 0.294249 1.011650 0.031 Uiso 1 1 calc R U . . .
 C103 C 0.45922(11) 0.34513(15) 1.03201(7) 0.0314(4) Uani 1 1 d . . . . .
 H103 H 0.444155 0.382893 1.058580 0.038 Uiso 1 1 calc R U . . .
 C104 C 0.53200(10) 0.34067(15) 1.02185(7) 0.0298(4) Uani 1 1 d . . . . .
 H104 H 0.567283 0.372531 1.042639 0.036 Uiso 1 1 calc R U . . .
 C105 C 0.55424(9) 0.28989(13) 0.98142(6) 0.0215(3) Uani 1 1 d . . . . .
 C106 C 0.63522(9) 0.28339(15) 0.97364(7) 0.0265(4) Uani 1 1 d . . . . .
 H106 H 0.641016 0.247321 0.942591 0.032 Uiso 1 1 calc R U . . .
 C107 C 0.67421(11) 0.22366(19) 1.01410(8) 0.0404(5) Uani 1 1 d . . . . .
 H10A H 0.667868 0.255658 1.045346 0.061 Uiso 1 1 calc R U . . .
 H10B H 0.726287 0.219464 1.008169 0.061 Uiso 1 1 calc R U . . .
 H10C H 0.653392 0.157684 1.014659 0.061 Uiso 1 1 calc R U . . .
 C108 C 0.67067(12) 0.38308(19) 0.96851(9) 0.0467(6) Uani 1 1 d . . . . .
 H10D H 0.646513 0.418377 0.941335 0.070 Uiso 1 1 calc R U . . .
 H10E H 0.722426 0.374594 0.962456 0.070 Uiso 1 1 calc R U . . .
 H10F H 0.665942 0.420541 0.998423 0.070 Uiso 1 1 calc R U . . .
 C109 C 0.36769(9) 0.18295(13) 0.93634(6) 0.0217(3) Uani 1 1 d . . . . .
 H109 H 0.383627 0.166025 0.903291 0.026 Uiso 1 1 calc R U . . .
 C110 C 0.29430(9) 0.23731(16) 0.93086(7) 0.0298(4) Uani 1 1 d . . . . .
 H11A H 0.272890 0.242224 0.962552 0.045 Uiso 1 1 calc R U . . .
 H11B H 0.261070 0.201207 0.908494 0.045 Uiso 1 1 calc R U . . .
 H11C H 0.302225 0.303101 0.918054 0.045 Uiso 1 1 calc R U . . .
 C111 C 0.35639(11) 0.08748(14) 0.96434(7) 0.0326(4) Uani 1 1 d . . . . .
 H11D H 0.340650 0.102815 0.996843 0.049 Uiso 1 1 calc R U . . .
 H11E H 0.402312 0.050897 0.966960 0.049 Uiso 1 1 calc R U . . .
 H11F H 0.318994 0.047834 0.947063 0.049 Uiso 1 1 calc R U . . .
 C120 C 0.58646(8) 0.10152(11) 0.86542(6) 0.0159(3) Uani 1 1 d . . . . .
 C121 C 0.65719(8) 0.11162(11) 0.84674(6) 0.0178(3) Uani 1 1 d . . . . .
 C122 C 0.68581(9) 0.03348(13) 0.82109(7) 0.0239(4) Uani 1 1 d . . . . .
 H122 H 0.732931 0.039710 0.808709 0.029 Uiso 1 1 calc R U . . .
 C123 C 0.64728(10) -0.05295(13) 0.81321(7) 0.0273(4) Uani 1 1 d . . . . .
 H123 H 0.666774 -0.103598 0.794191 0.033 Uiso 1 1 calc R U . . .
 C124 C 0.58038(10) -0.06472(12) 0.83322(7) 0.0243(4) Uani 1 1 d . . . . .
 H124 H 0.554656 -0.124590 0.828716 0.029 Uiso 1 1 calc R U . . .
 C125 C 0.55008(9) 0.01049(11) 0.86006(6) 0.0185(3) Uani 1 1 d . . . . .
 C126 C 0.48011(9) -0.01002(12) 0.88486(6) 0.0204(3) Uani 1 1 d . . . . .
 H126 H 0.468054 0.049431 0.903967 0.024 Uiso 1 1 calc R U . . .
 C127 C 0.49156(12) -0.09522(16) 0.92057(9) 0.0398(5) Uani 1 1 d . . . . .
 H12A H 0.447753 -0.103611 0.938990 0.060 Uiso 1 1 calc R U . . .
 H12B H 0.533363 -0.081072 0.942903 0.060 Uiso 1 1 calc R U . . .
 H12C H 0.500884 -0.155388 0.902617 0.060 Uiso 1 1 calc R U . . .
 C128 C 0.41535(10) -0.03077(15) 0.84929(7) 0.0305(4) Uani 1 1 d . . . . .
 H12D H 0.424911 -0.090296 0.830895 0.046 Uiso 1 1 calc R U . . .
 H12E H 0.408505 0.024480 0.826925 0.046 Uiso 1 1 calc R U . . .
 H12F H 0.371186 -0.039755 0.867288 0.046 Uiso 1 1 calc R U . . .
 C129 C 0.70780(8) 0.19843(12) 0.85682(6) 0.0190(3) Uani 1 1 d . . . . .
 H129 H 0.678024 0.254395 0.868189 0.023 Uiso 1 1 calc R U . . .
 C130 C 0.74876(9) 0.23241(12) 0.81265(7) 0.0214(3) Uani 1 1 d . . . . .
 H13A H 0.784480 0.182579 0.804451 0.032 Uiso 1 1 calc R U . . .
 H13B H 0.773977 0.294090 0.820303 0.032 Uiso 1 1 calc R U . . .
 H13C H 0.713930 0.242208 0.785046 0.032 Uiso 1 1 calc R U . . .
 C131 C 0.76409(10) 0.17084(16) 0.89763(7) 0.0307(4) Uani 1 1 d . . . . .
 H13D H 0.738708 0.148843 0.926032 0.046 Uiso 1 1 calc R U . . .
 H13E H 0.794139 0.228054 0.906305 0.046 Uiso 1 1 calc R U . . .
 H13F H 0.795295 0.118051 0.886541 0.046 Uiso 1 1 calc R U . . .
 C140 C 0.47317(8) 0.10556(11) 0.59524(6) 0.0150(3) Uani 1 1 d . . . . .
 C141 C 0.43221(9) 0.11579(11) 0.55080(6) 0.0191(3) Uani 1 1 d . . . . .
 C142 C 0.37093(10) 0.05698(14) 0.54090(7) 0.0295(4) Uani 1 1 d . . . . .
 H142 H 0.342997 0.065416 0.511330 0.035 Uiso 1 1 calc R U . . .
 C143 C 0.35053(11) -0.01306(15) 0.57347(8) 0.0360(5) Uani 1 1 d . . . . .
 H143 H 0.307877 -0.051067 0.566869 0.043 Uiso 1 1 calc R U . . .
 C144 C 0.39252(11) -0.02771(13) 0.61585(7) 0.0298(4) Uani 1 1 d . . . . .
 H144 H 0.379331 -0.078119 0.637401 0.036 Uiso 1 1 calc R U . . .
 C145 C 0.45379(9) 0.02967(11) 0.62778(6) 0.0191(3) Uani 1 1 d . . . . .
 C146 C 0.49861(9) 0.00084(11) 0.67346(6) 0.0201(3) Uani 1 1 d . . . . .
 H146 H 0.531967 0.056342 0.682661 0.024 Uiso 1 1 calc R U . . .
 C147 C 0.54545(11) -0.08904(12) 0.66302(7) 0.0266(4) Uani 1 1 d . . . . .
 H14A H 0.513683 -0.144164 0.653638 0.040 Uiso 1 1 calc R U . . .
 H14B H 0.575263 -0.106287 0.692177 0.040 Uiso 1 1 calc R U . . .
 H14C H 0.577311 -0.074024 0.636596 0.040 Uiso 1 1 calc R U . . .
 C148 C 0.45213(11) -0.02201(12) 0.71679(7) 0.0262(4) Uani 1 1 d . . . . .
 H14D H 0.426225 -0.083927 0.711051 0.039 Uiso 1 1 calc R U . . .
 H14E H 0.416726 0.030700 0.720683 0.039 Uiso 1 1 calc R U . . .
 H14F H 0.483815 -0.027365 0.746274 0.039 Uiso 1 1 calc R U . . .
 C149 C 0.45406(9) 0.18706(12) 0.51244(6) 0.0203(3) Uani 1 1 d . . . . .
 H149 H 0.499709 0.220498 0.524818 0.024 Uiso 1 1 calc R U . . .
 C150 C 0.39643(12) 0.26595(15) 0.50209(8) 0.0355(5) Uani 1 1 d . . . . .
 H15A H 0.350723 0.235195 0.490282 0.053 Uiso 1 1 calc R U . . .
 H15B H 0.413316 0.310977 0.477430 0.053 Uiso 1 1 calc R U . . .
 H15C H 0.388294 0.302271 0.531909 0.053 Uiso 1 1 calc R U . . .
 C151 C 0.47108(12) 0.13420(15) 0.46569(7) 0.0335(4) Uani 1 1 d . . . . .
 H15D H 0.485807 0.182038 0.441638 0.050 Uiso 1 1 calc R U . . .
 H15E H 0.427560 0.099196 0.453126 0.050 Uiso 1 1 calc R U . . .
 H15F H 0.510786 0.087435 0.472279 0.050 Uiso 1 1 calc R U . . .
 C160 C 0.63523(8) 0.23478(11) 0.59378(5) 0.0141(3) Uani 1 1 d . . . . .
 C161 C 0.69265(8) 0.18015(12) 0.61648(6) 0.0174(3) Uani 1 1 d . . . . .
 C162 C 0.76452(9) 0.21388(14) 0.61566(7) 0.0242(4) Uani 1 1 d . . . . .
 H162 H 0.802793 0.177332 0.631412 0.029 Uiso 1 1 calc R U . . .
 C163 C 0.78022(9) 0.29963(14) 0.59219(7) 0.0257(4) Uani 1 1 d . . . . .
 H163 H 0.828791 0.323743 0.593119 0.031 Uiso 1 1 calc R U . . .
 C164 C 0.72503(9) 0.35069(13) 0.56720(6) 0.0224(3) Uani 1 1 d . . . . .
 H164 H 0.736745 0.408293 0.549999 0.027 Uiso 1 1 calc R U . . .
 C165 C 0.65267(8) 0.31944(11) 0.56673(6) 0.0169(3) Uani 1 1 d . . . . .
 C166 C 0.59776(9) 0.37180(12) 0.53283(6) 0.0182(3) Uani 1 1 d . . . . .
 H166 H 0.547819 0.357228 0.543792 0.022 Uiso 1 1 calc R U . . .
 C167 C 0.60328(10) 0.33009(14) 0.48142(6) 0.0268(4) Uani 1 1 d . . . . .
 H16A H 0.649589 0.350360 0.468370 0.040 Uiso 1 1 calc R U . . .
 H16B H 0.562720 0.354851 0.460507 0.040 Uiso 1 1 calc R U . . .
 H16C H 0.601058 0.258510 0.482636 0.040 Uiso 1 1 calc R U . . .
 C168 C 0.60670(10) 0.48316(13) 0.53096(7) 0.0270(4) Uani 1 1 d . . . . .
 H16D H 0.608933 0.509514 0.563979 0.041 Uiso 1 1 calc R U . . .
 H16E H 0.565070 0.511874 0.512481 0.041 Uiso 1 1 calc R U . . .
 H16F H 0.651824 0.499320 0.515224 0.041 Uiso 1 1 calc R U . . .
 C169 C 0.67831(9) 0.08212(12) 0.63983(6) 0.0194(3) Uani 1 1 d . . . . .
 H169 H 0.624685 0.069497 0.636110 0.023 Uiso 1 1 calc R U . . .
 C170 C 0.71670(10) 0.00125(13) 0.61243(7) 0.0291(4) Uani 1 1 d . . . . .
 H17A H 0.703994 -0.062615 0.625746 0.044 Uiso 1 1 calc R U . . .
 H17B H 0.769596 0.010718 0.615995 0.044 Uiso 1 1 calc R U . . .
 H17C H 0.701075 0.003889 0.578032 0.044 Uiso 1 1 calc R U . . .
 C171 C 0.69969(10) 0.07896(14) 0.69392(7) 0.0267(4) Uani 1 1 d . . . . .
 H17D H 0.752147 0.091047 0.698815 0.040 Uiso 1 1 calc R U . . .
 H17E H 0.687983 0.014438 0.706898 0.040 Uiso 1 1 calc R U . . .
 H17F H 0.672672 0.129355 0.710759 0.040 Uiso 1 1 calc R U . . .


_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
 Si1 C1 1.8886(15) . ?
 Si1 C9 1.8796(15) . ?
 Si1 C100 1.8891(16) . ?
 Si1 C120 1.8943(16) . ?
 Si2 C21 1.8778(15) . ?
 Si2 C40 1.8865(15) . ?
 Si2 C140 1.8897(15) . ?
 Si2 C160 1.8835(15) . ?
 C1 C2 1.495(2) . ?
 C1 C5 1.497(2) . ?
 C1 C9 1.6235(19) . ?
 C2 C3 1.442(2) . ?
 C2 C12 1.381(2) . ?
 C3 C4 1.444(2) . ?
 C3 C15 1.396(2) . ?
 C4 C5 1.4292(19) . ?
 C4 C18 1.400(2) . ?
 C5 C6 1.385(2) . ?
 C6 C7 1.4668(19) . ?
 C6 C20 1.436(2) . ?
 C7 C8 1.378(2) . ?
 C7 C22 1.431(2) . ?
 C8 C9 1.492(2) . ?
 C8 C25 1.4316(19) . ?
 C9 C10 1.498(2) . ?
 C10 C11 1.384(2) . ?
 C10 C26 1.439(2) . ?
 C11 C12 1.479(2) . ?
 C11 C29 1.445(2) . ?
 C12 C13 1.444(2) . ?
 C13 C14 1.395(2) . ?
 C13 C30 1.450(2) . ?
 C14 C15 1.445(2) . ?
 C14 C33 1.455(2) . ?
 C15 C16 1.452(2) . ?
 C16 C17 1.392(2) . ?
 C16 C34 1.451(2) . ?
 C17 C18 1.452(2) . ?
 C17 C37 1.451(2) . ?
 C18 C19 1.432(2) . ?
 C19 C20 1.3839(19) . ?
 C19 C38 1.477(2) . ?
 C20 C21 1.4951(19) . ?
 C21 C22 1.490(2) . ?
 C21 C40 1.628(2) . ?
 C22 C23 1.3883(19) . ?
 C23 C24 1.429(2) . ?
 C23 C42 1.476(2) . ?
 C24 C25 1.396(2) . ?
 C24 C44 1.455(2) . ?
 C25 C26 1.445(2) . ?
 C26 C27 1.395(2) . ?
 C27 C28 1.436(2) . ?
 C27 C45 1.456(2) . ?
 C28 C29 1.398(2) . ?
 C28 C47 1.450(2) . ?
 C29 C30 1.452(2) . ?
 C30 C31 1.391(2) . ?
 C31 C32 1.454(2) . ?
 C31 C48 1.451(2) . ?
 C32 C33 1.392(2) . ?
 C32 C50 1.450(2) . ?
 C33 C34 1.448(2) . ?
 C34 C35 1.392(2) . ?
 C35 C36 1.452(2) . ?
 C35 C51 1.451(2) . ?
 C36 C37 1.398(2) . ?
 C36 C53 1.435(2) . ?
 C37 C38 1.444(2) . ?
 C38 C39 1.383(2) . ?
 C39 C40 1.4951(19) . ?
 C39 C54 1.4427(19) . ?
 C40 C41 1.4928(19) . ?
 C41 C42 1.375(2) . ?
 C41 C55 1.442(2) . ?
 C42 C43 1.445(2) . ?
 C43 C44 1.444(2) . ?
 C43 C57 1.400(2) . ?
 C44 C45 1.392(2) . ?
 C45 C46 1.449(2) . ?
 C46 C47 1.449(2) . ?
 C46 C58 1.393(2) . ?
 C47 C48 1.389(2) . ?
 C48 C49 1.441(2) . ?
 C49 C50 1.455(2) . ?
 C49 C59 1.389(2) . ?
 C50 C51 1.391(2) . ?
 C51 C52 1.449(2) . ?
 C52 C53 1.454(2) . ?
 C52 C60 1.390(2) . ?
 C53 C54 1.397(2) . ?
 C54 C55 1.449(2) . ?
 C55 C56 1.396(2) . ?
 C56 C57 1.440(2) . ?
 C56 C60 1.455(2) . ?
 C57 C58 1.452(2) . ?
 C58 C59 1.452(2) . ?
 C59 C60 1.449(2) . ?
 C100 C101 1.425(2) . ?
 C100 C105 1.412(2) . ?
 C101 C102 1.391(2) . ?
 C101 C109 1.528(2) . ?
 C102 H102 0.9500 . ?
 C102 C103 1.383(3) . ?
 C103 H103 0.9500 . ?
 C103 C104 1.381(3) . ?
 C104 H104 0.9500 . ?
 C104 C105 1.394(3) . ?
 C105 C106 1.516(2) . ?
 C106 H106 1.0000 . ?
 C106 C107 1.533(3) . ?
 C106 C108 1.520(3) . ?
 C107 H10A 0.9800 . ?
 C107 H10B 0.9800 . ?
 C107 H10C 0.9800 . ?
 C108 H10D 0.9800 . ?
 C108 H10E 0.9800 . ?
 C108 H10F 0.9800 . ?
 C109 H109 1.0000 . ?
 C109 C110 1.540(2) . ?
 C109 C111 1.537(3) . ?
 C110 H11A 0.9800 . ?
 C110 H11B 0.9800 . ?
 C110 H11C 0.9800 . ?
 C111 H11D 0.9800 . ?
 C111 H11E 0.9800 . ?
 C111 H11F 0.9800 . ?
 C120 C121 1.428(2) . ?
 C120 C125 1.417(2) . ?
 C121 C122 1.399(2) . ?
 C121 C129 1.524(2) . ?
 C122 H122 0.9500 . ?
 C122 C123 1.389(3) . ?
 C123 H123 0.9500 . ?
 C123 C124 1.382(3) . ?
 C124 H124 0.9500 . ?
 C124 C125 1.399(2) . ?
 C125 C126 1.512(2) . ?
 C126 H126 1.0000 . ?
 C126 C127 1.534(2) . ?
 C126 C128 1.531(2) . ?
 C127 H12A 0.9800 . ?
 C127 H12B 0.9800 . ?
 C127 H12C 0.9800 . ?
 C128 H12D 0.9800 . ?
 C128 H12E 0.9800 . ?
 C128 H12F 0.9800 . ?
 C129 H129 1.0000 . ?
 C129 C130 1.537(2) . ?
 C129 C131 1.538(2) . ?
 C130 H13A 0.9800 . ?
 C130 H13B 0.9800 . ?
 C130 H13C 0.9800 . ?
 C131 H13D 0.9800 . ?
 C131 H13E 0.9800 . ?
 C131 H13F 0.9800 . ?
 C140 C141 1.415(2) . ?
 C140 C145 1.430(2) . ?
 C141 C142 1.399(2) . ?
 C141 C149 1.509(2) . ?
 C142 H142 0.9500 . ?
 C142 C143 1.379(3) . ?
 C143 H143 0.9500 . ?
 C143 C144 1.384(3) . ?
 C144 H144 0.9500 . ?
 C144 C145 1.397(2) . ?
 C145 C146 1.524(2) . ?
 C146 H146 1.0000 . ?
 C146 C147 1.535(2) . ?
 C146 C148 1.537(2) . ?
 C147 H14A 0.9800 . ?
 C147 H14B 0.9800 . ?
 C147 H14C 0.9800 . ?
 C148 H14D 0.9800 . ?
 C148 H14E 0.9800 . ?
 C148 H14F 0.9800 . ?
 C149 H149 1.0000 . ?
 C149 C150 1.528(2) . ?
 C149 C151 1.526(2) . ?
 C150 H15A 0.9800 . ?
 C150 H15B 0.9800 . ?
 C150 H15C 0.9800 . ?
 C151 H15D 0.9800 . ?
 C151 H15E 0.9800 . ?
 C151 H15F 0.9800 . ?
 C160 C161 1.413(2) . ?
 C160 C165 1.423(2) . ?
 C161 C162 1.399(2) . ?
 C161 C169 1.516(2) . ?
 C162 H162 0.9500 . ?
 C162 C163 1.377(3) . ?
 C163 H163 0.9500 . ?
 C163 C164 1.386(2) . ?
 C164 H164 0.9500 . ?
 C164 C165 1.395(2) . ?
 C165 C166 1.521(2) . ?
 C166 H166 1.0000 . ?
 C166 C167 1.539(2) . ?
 C166 C168 1.532(2) . ?
 C167 H16A 0.9800 . ?
 C167 H16B 0.9800 . ?
 C167 H16C 0.9800 . ?
 C168 H16D 0.9800 . ?
 C168 H16E 0.9800 . ?
 C168 H16F 0.9800 . ?
 C169 H169 1.0000 . ?
 C169 C170 1.532(2) . ?
 C169 C171 1.527(2) . ?
 C170 H17A 0.9800 . ?
 C170 H17B 0.9800 . ?
 C170 H17C 0.9800 . ?
 C171 H17D 0.9800 . ?
 C171 H17E 0.9800 . ?
 C171 H17F 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
 C1 Si1 C100 113.94(7) . . ?
 C1 Si1 C120 109.13(7) . . ?
 C9 Si1 C1 51.04(6) . . ?
 C9 Si1 C100 108.77(7) . . ?
 C9 Si1 C120 113.88(7) . . ?
 C100 Si1 C120 132.28(7) . . ?
 C21 Si2 C40 51.26(6) . . ?
 C21 Si2 C140 109.62(7) . . ?
 C21 Si2 C160 112.09(6) . . ?
 C40 Si2 C140 113.55(6) . . ?
 C160 Si2 C40 108.74(7) . . ?
 C160 Si2 C140 133.18(7) . . ?
 C2 C1 Si1 127.58(11) . . ?
 C2 C1 C5 102.93(12) . . ?
 C2 C1 C9 115.68(12) . . ?
 C5 C1 Si1 125.85(10) . . ?
 C5 C1 C9 113.71(12) . . ?
 C9 C1 Si1 64.19(7) . . ?
 C3 C2 C1 108.97(13) . . ?
 C12 C2 C1 123.73(13) . . ?
 C12 C2 C3 119.30(14) . . ?
 C2 C3 C4 108.24(12) . . ?
 C15 C3 C2 121.33(14) . . ?
 C15 C3 C4 119.92(14) . . ?
 C5 C4 C3 108.13(13) . . ?
 C18 C4 C3 120.64(13) . . ?
 C18 C4 C5 120.53(13) . . ?
 C4 C5 C1 109.54(12) . . ?
 C6 C5 C1 124.43(13) . . ?
 C6 C5 C4 118.52(13) . . ?
 C5 C6 C7 120.67(13) . . ?
 C5 C6 C20 121.17(13) . . ?
 C20 C6 C7 107.72(12) . . ?
 C8 C7 C6 120.48(13) . . ?
 C8 C7 C22 121.02(13) . . ?
 C22 C7 C6 107.78(12) . . ?
 C7 C8 C9 123.81(13) . . ?
 C7 C8 C25 118.91(13) . . ?
 C25 C8 C9 109.43(12) . . ?
 C1 C9 Si1 64.77(7) . . ?
 C8 C9 Si1 126.50(10) . . ?
 C8 C9 C1 115.69(12) . . ?
 C8 C9 C10 102.90(12) . . ?
 C10 C9 Si1 126.64(11) . . ?
 C10 C9 C1 113.91(12) . . ?
 C11 C10 C9 124.46(13) . . ?
 C11 C10 C26 119.24(13) . . ?
 C26 C10 C9 109.07(12) . . ?
 C10 C11 C12 120.46(13) . . ?
 C10 C11 C29 119.90(14) . . ?
 C29 C11 C12 107.52(13) . . ?
 C2 C12 C11 120.39(13) . . ?
 C2 C12 C13 119.80(14) . . ?
 C13 C12 C11 107.60(13) . . ?
 C12 C13 C30 108.37(13) . . ?
 C14 C13 C12 121.13(14) . . ?
 C14 C13 C30 119.74(15) . . ?
 C13 C14 C15 119.10(14) . . ?
 C13 C14 C33 120.31(14) . . ?
 C15 C14 C33 107.73(14) . . ?
 C3 C15 C14 119.24(14) . . ?
 C3 C15 C16 119.87(14) . . ?
 C14 C15 C16 108.27(14) . . ?
 C17 C16 C15 119.94(14) . . ?
 C17 C16 C34 120.04(14) . . ?
 C34 C16 C15 107.91(14) . . ?
 C16 C17 C18 120.51(14) . . ?
 C16 C17 C37 120.51(14) . . ?
 C37 C17 C18 107.82(13) . . ?
 C4 C18 C17 119.11(13) . . ?
 C4 C18 C19 120.41(13) . . ?
 C19 C18 C17 108.59(13) . . ?
 C18 C19 C38 107.86(12) . . ?
 C20 C19 C18 118.99(13) . . ?
 C20 C19 C38 119.92(13) . . ?
 C6 C20 C21 109.19(12) . . ?
 C19 C20 C6 120.29(13) . . ?
 C19 C20 C21 123.64(13) . . ?
 C20 C21 Si2 127.86(10) . . ?
 C20 C21 C40 115.87(11) . . ?
 C22 C21 Si2 124.71(10) . . ?
 C22 C21 C20 103.31(12) . . ?
 C22 C21 C40 113.98(11) . . ?
 C40 C21 Si2 64.65(7) . . ?
 C7 C22 C21 109.49(12) . . ?
 C23 C22 C7 120.43(13) . . ?
 C23 C22 C21 123.98(13) . . ?
 C22 C23 C24 118.72(13) . . ?
 C22 C23 C42 120.87(13) . . ?
 C24 C23 C42 107.60(12) . . ?
 C23 C24 C44 108.65(13) . . ?
 C25 C24 C23 120.69(13) . . ?
 C25 C24 C44 119.71(14) . . ?
 C8 C25 C26 108.27(12) . . ?
 C24 C25 C8 120.14(14) . . ?
 C24 C25 C26 120.06(13) . . ?
 C10 C26 C25 108.04(12) . . ?
 C27 C26 C10 121.22(14) . . ?
 C27 C26 C25 120.48(14) . . ?
 C26 C27 C28 119.61(14) . . ?
 C26 C27 C45 119.51(14) . . ?
 C28 C27 C45 108.16(13) . . ?
 C27 C28 C47 108.08(14) . . ?
 C29 C28 C27 119.17(14) . . ?
 C29 C28 C47 120.09(14) . . ?
 C11 C29 C30 108.32(13) . . ?
 C28 C29 C11 120.81(14) . . ?
 C28 C29 C30 119.56(15) . . ?
 C13 C30 C29 108.18(13) . . ?
 C31 C30 C13 120.14(15) . . ?
 C31 C30 C29 120.30(15) . . ?
 C30 C31 C32 120.08(15) . . ?
 C30 C31 C48 119.86(15) . . ?
 C48 C31 C32 107.87(15) . . ?
 C33 C32 C31 120.05(15) . . ?
 C33 C32 C50 119.67(16) . . ?
 C50 C32 C31 107.87(14) . . ?
 C32 C33 C14 119.67(15) . . ?
 C32 C33 C34 120.12(15) . . ?
 C34 C33 C14 108.24(14) . . ?
 C33 C34 C16 107.85(14) . . ?
 C35 C34 C16 119.54(15) . . ?
 C35 C34 C33 120.17(15) . . ?
 C34 C35 C36 120.58(14) . . ?
 C34 C35 C51 119.84(15) . . ?
 C51 C35 C36 107.91(14) . . ?
 C37 C36 C35 119.78(14) . . ?
 C37 C36 C53 119.15(13) . . ?
 C53 C36 C35 107.99(13) . . ?
 C36 C37 C17 119.52(14) . . ?
 C36 C37 C38 121.04(13) . . ?
 C38 C37 C17 108.45(12) . . ?
 C37 C38 C19 107.28(12) . . ?
 C39 C38 C19 120.89(13) . . ?
 C39 C38 C37 119.89(13) . . ?
 C38 C39 C40 124.60(13) . . ?
 C38 C39 C54 119.03(13) . . ?
 C54 C39 C40 109.01(12) . . ?
 C21 C40 Si2 64.10(7) . . ?
 C39 C40 Si2 127.31(10) . . ?
 C39 C40 C21 113.54(11) . . ?
 C41 C40 Si2 125.68(10) . . ?
 C41 C40 C21 115.51(12) . . ?
 C41 C40 C39 103.48(11) . . ?
 C42 C41 C40 123.93(13) . . ?
 C42 C41 C55 119.38(13) . . ?
 C55 C41 C40 109.20(12) . . ?
 C41 C42 C23 120.05(13) . . ?
 C41 C42 C43 119.97(13) . . ?
 C43 C42 C23 107.58(13) . . ?
 C44 C43 C42 108.22(12) . . ?
 C57 C43 C42 120.81(14) . . ?
 C57 C43 C44 119.42(14) . . ?
 C43 C44 C24 107.96(13) . . ?
 C45 C44 C24 120.10(14) . . ?
 C45 C44 C43 120.93(13) . . ?
 C44 C45 C27 120.11(13) . . ?
 C44 C45 C46 119.66(14) . . ?
 C46 C45 C27 107.85(13) . . ?
 C47 C46 C45 107.72(13) . . ?
 C58 C46 C45 119.83(14) . . ?
 C58 C46 C47 120.17(14) . . ?
 C46 C47 C28 108.18(13) . . ?
 C48 C47 C28 120.03(15) . . ?
 C48 C47 C46 119.81(15) . . ?
 C47 C48 C31 120.15(15) . . ?
 C47 C48 C49 120.08(15) . . ?
 C49 C48 C31 108.28(14) . . ?
 C48 C49 C50 108.06(14) . . ?
 C59 C49 C48 120.45(15) . . ?
 C59 C49 C50 120.02(15) . . ?
 C32 C50 C49 107.91(15) . . ?
 C51 C50 C32 120.34(15) . . ?
 C51 C50 C49 119.82(15) . . ?
 C50 C51 C35 119.86(15) . . ?
 C50 C51 C52 120.02(14) . . ?
 C52 C51 C35 108.03(14) . . ?
 C51 C52 C53 107.49(13) . . ?
 C60 C52 C51 120.09(15) . . ?
 C60 C52 C53 120.11(14) . . ?
 C36 C53 C52 108.58(14) . . ?
 C54 C53 C36 119.42(13) . . ?
 C54 C53 C52 119.71(13) . . ?
 C39 C54 C55 108.22(12) . . ?
 C53 C54 C39 121.42(13) . . ?
 C53 C54 C55 120.16(13) . . ?
 C41 C55 C54 108.02(12) . . ?
 C56 C55 C41 121.33(14) . . ?
 C56 C55 C54 120.11(13) . . ?
 C55 C56 C57 119.24(13) . . ?
 C55 C56 C60 119.71(13) . . ?
 C57 C56 C60 108.23(14) . . ?
 C43 C57 C56 119.19(13) . . ?
 C43 C57 C58 119.81(14) . . ?
 C56 C57 C58 108.18(13) . . ?
 C46 C58 C57 120.33(14) . . ?
 C46 C58 C59 119.74(15) . . ?
 C57 C58 C59 107.79(14) . . ?
 C49 C59 C58 119.74(15) . . ?
 C49 C59 C60 120.04(14) . . ?
 C60 C59 C58 108.08(13) . . ?
 C52 C60 C56 120.17(14) . . ?
 C52 C60 C59 120.02(15) . . ?
 C59 C60 C56 107.71(13) . . ?
 C101 C100 Si1 122.84(11) . . ?
 C105 C100 Si1 117.45(12) . . ?
 C105 C100 C101 118.61(15) . . ?
 C100 C101 C109 124.57(15) . . ?
 C102 C101 C100 118.91(15) . . ?
 C102 C101 C109 116.33(14) . . ?
 C101 C102 H102 119.1 . . ?
 C103 C102 C101 121.74(16) . . ?
 C103 C102 H102 119.1 . . ?
 C102 C103 H103 120.2 . . ?
 C104 C103 C102 119.57(17) . . ?
 C104 C103 H103 120.2 . . ?
 C103 C104 H104 119.7 . . ?
 C103 C104 C105 120.68(16) . . ?
 C105 C104 H104 119.7 . . ?
 C100 C105 C106 121.67(15) . . ?
 C104 C105 C100 120.17(16) . . ?
 C104 C105 C106 118.14(15) . . ?
 C105 C106 H106 107.3 . . ?
 C105 C106 C107 110.71(15) . . ?
 C105 C106 C108 112.86(17) . . ?
 C107 C106 H106 107.3 . . ?
 C108 C106 H106 107.3 . . ?
 C108 C106 C107 111.04(16) . . ?
 C106 C107 H10A 109.5 . . ?
 C106 C107 H10B 109.5 . . ?
 C106 C107 H10C 109.5 . . ?
 H10A C107 H10B 109.5 . . ?
 H10A C107 H10C 109.5 . . ?
 H10B C107 H10C 109.5 . . ?
 C106 C108 H10D 109.5 . . ?
 C106 C108 H10E 109.5 . . ?
 C106 C108 H10F 109.5 . . ?
 H10D C108 H10E 109.5 . . ?
 H10D C108 H10F 109.5 . . ?
 H10E C108 H10F 109.5 . . ?
 C101 C109 H109 108.4 . . ?
 C101 C109 C110 113.27(15) . . ?
 C101 C109 C111 109.47(14) . . ?
 C110 C109 H109 108.4 . . ?
 C111 C109 H109 108.4 . . ?
 C111 C109 C110 108.66(15) . . ?
 C109 C110 H11A 109.5 . . ?
 C109 C110 H11B 109.5 . . ?
 C109 C110 H11C 109.5 . . ?
 H11A C110 H11B 109.5 . . ?
 H11A C110 H11C 109.5 . . ?
 H11B C110 H11C 109.5 . . ?
 C109 C111 H11D 109.5 . . ?
 C109 C111 H11E 109.5 . . ?
 C109 C111 H11F 109.5 . . ?
 H11D C111 H11E 109.5 . . ?
 H11D C111 H11F 109.5 . . ?
 H11E C111 H11F 109.5 . . ?
 C121 C120 Si1 123.31(12) . . ?
 C125 C120 Si1 117.22(11) . . ?
 C125 C120 C121 118.66(14) . . ?
 C120 C121 C129 124.50(14) . . ?
 C122 C121 C120 118.74(15) . . ?
 C122 C121 C129 116.49(14) . . ?
 C121 C122 H122 119.1 . . ?
 C123 C122 C121 121.85(16) . . ?
 C123 C122 H122 119.1 . . ?
 C122 C123 H123 120.2 . . ?
 C124 C123 C122 119.51(16) . . ?
 C124 C123 H123 120.2 . . ?
 C123 C124 H124 119.6 . . ?
 C123 C124 C125 120.77(16) . . ?
 C125 C124 H124 119.6 . . ?
 C120 C125 C126 121.48(15) . . ?
 C124 C125 C120 120.20(15) . . ?
 C124 C125 C126 118.25(15) . . ?
 C125 C126 H126 107.7 . . ?
 C125 C126 C127 109.88(14) . . ?
 C125 C126 C128 113.18(15) . . ?
 C127 C126 H126 107.7 . . ?
 C128 C126 H126 107.7 . . ?
 C128 C126 C127 110.46(16) . . ?
 C126 C127 H12A 109.5 . . ?
 C126 C127 H12B 109.5 . . ?
 C126 C127 H12C 109.5 . . ?
 H12A C127 H12B 109.5 . . ?
 H12A C127 H12C 109.5 . . ?
 H12B C127 H12C 109.5 . . ?
 C126 C128 H12D 109.5 . . ?
 C126 C128 H12E 109.5 . . ?
 C126 C128 H12F 109.5 . . ?
 H12D C128 H12E 109.5 . . ?
 H12D C128 H12F 109.5 . . ?
 H12E C128 H12F 109.5 . . ?
 C121 C129 H129 108.4 . . ?
 C121 C129 C130 114.09(14) . . ?
 C121 C129 C131 108.93(14) . . ?
 C130 C129 H129 108.4 . . ?
 C130 C129 C131 108.58(13) . . ?
 C131 C129 H129 108.4 . . ?
 C129 C130 H13A 109.5 . . ?
 C129 C130 H13B 109.5 . . ?
 C129 C130 H13C 109.5 . . ?
 H13A C130 H13B 109.5 . . ?
 H13A C130 H13C 109.5 . . ?
 H13B C130 H13C 109.5 . . ?
 C129 C131 H13D 109.5 . . ?
 C129 C131 H13E 109.5 . . ?
 C129 C131 H13F 109.5 . . ?
 H13D C131 H13E 109.5 . . ?
 H13D C131 H13F 109.5 . . ?
 H13E C131 H13F 109.5 . . ?
 C141 C140 Si2 117.18(11) . . ?
 C141 C140 C145 118.66(14) . . ?
 C145 C140 Si2 123.37(12) . . ?
 C140 C141 C149 121.69(14) . . ?
 C142 C141 C140 120.05(16) . . ?
 C142 C141 C149 118.24(15) . . ?
 C141 C142 H142 119.6 . . ?
 C143 C142 C141 120.89(17) . . ?
 C143 C142 H142 119.6 . . ?
 C142 C143 H143 120.2 . . ?
 C142 C143 C144 119.66(17) . . ?
 C144 C143 H143 120.2 . . ?
 C143 C144 H144 119.1 . . ?
 C143 C144 C145 121.76(17) . . ?
 C145 C144 H144 119.1 . . ?
 C140 C145 C146 124.59(14) . . ?
 C144 C145 C140 118.79(16) . . ?
 C144 C145 C146 116.45(15) . . ?
 C145 C146 H146 108.2 . . ?
 C145 C146 C147 109.62(14) . . ?
 C145 C146 C148 113.58(15) . . ?
 C147 C146 H146 108.2 . . ?
 C147 C146 C148 108.78(14) . . ?
 C148 C146 H146 108.2 . . ?
 C146 C147 H14A 109.5 . . ?
 C146 C147 H14B 109.5 . . ?
 C146 C147 H14C 109.5 . . ?
 H14A C147 H14B 109.5 . . ?
 H14A C147 H14C 109.5 . . ?
 H14B C147 H14C 109.5 . . ?
 C146 C148 H14D 109.5 . . ?
 C146 C148 H14E 109.5 . . ?
 C146 C148 H14F 109.5 . . ?
 H14D C148 H14E 109.5 . . ?
 H14D C148 H14F 109.5 . . ?
 H14E C148 H14F 109.5 . . ?
 C141 C149 H149 107.6 . . ?
 C141 C149 C150 112.42(15) . . ?
 C141 C149 C151 111.22(14) . . ?
 C150 C149 H149 107.6 . . ?
 C151 C149 H149 107.6 . . ?
 C151 C149 C150 110.17(15) . . ?
 C149 C150 H15A 109.5 . . ?
 C149 C150 H15B 109.5 . . ?
 C149 C150 H15C 109.5 . . ?
 H15A C150 H15B 109.5 . . ?
 H15A C150 H15C 109.5 . . ?
 H15B C150 H15C 109.5 . . ?
 C149 C151 H15D 109.5 . . ?
 C149 C151 H15E 109.5 . . ?
 C149 C151 H15F 109.5 . . ?
 H15D C151 H15E 109.5 . . ?
 H15D C151 H15F 109.5 . . ?
 H15E C151 H15F 109.5 . . ?
 C161 C160 Si2 116.72(11) . . ?
 C161 C160 C165 118.72(14) . . ?
 C165 C160 Si2 123.23(11) . . ?
 C160 C161 C169 120.97(14) . . ?
 C162 C161 C160 120.14(15) . . ?
 C162 C161 C169 118.82(14) . . ?
 C161 C162 H162 119.7 . . ?
 C163 C162 C161 120.52(15) . . ?
 C163 C162 H162 119.7 . . ?
 C162 C163 H163 120.1 . . ?
 C162 C163 C164 119.88(15) . . ?
 C164 C163 H163 120.1 . . ?
 C163 C164 H164 119.2 . . ?
 C163 C164 C165 121.52(16) . . ?
 C165 C164 H164 119.2 . . ?
 C160 C165 C166 123.14(13) . . ?
 C164 C165 C160 118.91(14) . . ?
 C164 C165 C166 117.62(14) . . ?
 C165 C166 H166 108.0 . . ?
 C165 C166 C167 108.80(13) . . ?
 C165 C166 C168 114.80(14) . . ?
 C167 C166 H166 108.0 . . ?
 C168 C166 H166 108.0 . . ?
 C168 C166 C167 108.95(14) . . ?
 C166 C167 H16A 109.5 . . ?
 C166 C167 H16B 109.5 . . ?
 C166 C167 H16C 109.5 . . ?
 H16A C167 H16B 109.5 . . ?
 H16A C167 H16C 109.5 . . ?
 H16B C167 H16C 109.5 . . ?
 C166 C168 H16D 109.5 . . ?
 C166 C168 H16E 109.5 . . ?
 C166 C168 H16F 109.5 . . ?
 H16D C168 H16E 109.5 . . ?
 H16D C168 H16F 109.5 . . ?
 H16E C168 H16F 109.5 . . ?
 C161 C169 H169 107.4 . . ?
 C161 C169 C170 109.49(14) . . ?
 C161 C169 C171 113.58(14) . . ?
 C170 C169 H169 107.4 . . ?
 C171 C169 H169 107.4 . . ?
 C171 C169 C170 111.18(14) . . ?
 C169 C170 H17A 109.5 . . ?
 C169 C170 H17B 109.5 . . ?
 C169 C170 H17C 109.5 . . ?
 H17A C170 H17B 109.5 . . ?
 H17A C170 H17C 109.5 . . ?
 H17B C170 H17C 109.5 . . ?
 C169 C171 H17D 109.5 . . ?
 C169 C171 H17E 109.5 . . ?
 C169 C171 H17F 109.5 . . ?
 H17D C171 H17E 109.5 . . ?
 H17D C171 H17F 109.5 . . ?
 H17E C171 H17F 109.5 . . ?

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
 Si1 C1 C2 C3 145.12(11) . . . . ?
 Si1 C1 C2 C12 -66.48(19) . . . . ?
 Si1 C1 C5 C4 -145.33(11) . . . . ?
 Si1 C1 C5 C6 65.62(18) . . . . ?
 Si1 C1 C9 C8 -120.19(12) . . . . ?
 Si1 C1 C9 C10 120.85(12) . . . . ?
 Si1 C9 C10 C11 66.13(19) . . . . ?
 Si1 C9 C10 C26 -144.09(12) . . . . ?
 Si1 C100 C101 C102 -162.67(13) . . . . ?
 Si1 C100 C101 C109 22.6(2) . . . . ?
 Si1 C100 C105 C104 162.87(14) . . . . ?
 Si1 C100 C105 C106 -19.0(2) . . . . ?
 Si1 C120 C121 C122 -165.25(12) . . . . ?
 Si1 C120 C121 C129 21.0(2) . . . . ?
 Si1 C120 C125 C124 164.48(13) . . . . ?
 Si1 C120 C125 C126 -18.57(19) . . . . ?
 Si2 C21 C22 C7 143.01(11) . . . . ?
 Si2 C21 C22 C23 -64.55(17) . . . . ?
 Si2 C21 C40 C39 -121.56(12) . . . . ?
 Si2 C21 C40 C41 119.12(12) . . . . ?
 Si2 C40 C41 C42 64.69(19) . . . . ?
 Si2 C40 C41 C55 -145.95(11) . . . . ?
 Si2 C140 C141 C142 -165.68(14) . . . . ?
 Si2 C140 C141 C149 16.2(2) . . . . ?
 Si2 C140 C145 C144 165.75(13) . . . . ?
 Si2 C140 C145 C146 -19.1(2) . . . . ?
 Si2 C160 C161 C162 -161.90(13) . . . . ?
 Si2 C160 C161 C169 21.21(19) . . . . ?
 Si2 C160 C165 C164 160.61(13) . . . . ?
 Si2 C160 C165 C166 -26.2(2) . . . . ?
 C1 Si1 C9 C8 104.32(15) . . . . ?
 C1 Si1 C9 C10 -101.99(14) . . . . ?
 C1 Si1 C100 C101 94.69(14) . . . . ?
 C1 Si1 C100 C105 -73.09(14) . . . . ?
 C1 Si1 C120 C121 40.59(15) . . . . ?
 C1 Si1 C120 C125 -128.97(12) . . . . ?
 C1 C2 C3 C4 9.06(16) . . . . ?
 C1 C2 C3 C15 153.68(13) . . . . ?
 C1 C2 C12 C11 -9.7(2) . . . . ?
 C1 C2 C12 C13 -147.40(15) . . . . ?
 C1 C5 C6 C7 9.7(2) . . . . ?
 C1 C5 C6 C20 150.21(13) . . . . ?
 C1 C9 C10 C11 -9.3(2) . . . . ?
 C1 C9 C10 C26 140.47(13) . . . . ?
 C2 C1 C5 C4 14.38(15) . . . . ?
 C2 C1 C5 C6 -134.67(14) . . . . ?
 C2 C1 C9 Si1 -121.28(12) . . . . ?
 C2 C1 C9 C8 118.53(14) . . . . ?
 C2 C1 C9 C10 -0.43(18) . . . . ?
 C2 C3 C4 C5 0.27(16) . . . . ?
 C2 C3 C4 C18 144.86(13) . . . . ?
 C2 C3 C15 C14 -2.4(2) . . . . ?
 C2 C3 C15 C16 -139.72(15) . . . . ?
 C2 C12 C13 C14 -0.8(2) . . . . ?
 C2 C12 C13 C30 143.38(15) . . . . ?
 C3 C2 C12 C11 135.72(15) . . . . ?
 C3 C2 C12 C13 -2.0(2) . . . . ?
 C3 C4 C5 C1 -9.51(16) . . . . ?
 C3 C4 C5 C6 141.62(13) . . . . ?
 C3 C4 C18 C17 -0.8(2) . . . . ?
 C3 C4 C18 C19 -139.40(14) . . . . ?
 C3 C15 C16 C17 -0.3(2) . . . . ?
 C3 C15 C16 C34 142.22(14) . . . . ?
 C4 C3 C15 C14 138.27(15) . . . . ?
 C4 C3 C15 C16 0.9(2) . . . . ?
 C4 C5 C6 C7 -136.86(14) . . . . ?
 C4 C5 C6 C20 3.7(2) . . . . ?
 C4 C18 C19 C20 0.6(2) . . . . ?
 C4 C18 C19 C38 141.69(13) . . . . ?
 C5 C1 C2 C3 -14.11(15) . . . . ?
 C5 C1 C2 C12 134.30(15) . . . . ?
 C5 C1 C9 Si1 119.87(11) . . . . ?
 C5 C1 C9 C8 -0.32(17) . . . . ?
 C5 C1 C9 C10 -119.28(14) . . . . ?
 C5 C4 C18 C17 139.45(14) . . . . ?
 C5 C4 C18 C19 0.9(2) . . . . ?
 C5 C6 C7 C8 -0.4(2) . . . . ?
 C5 C6 C7 C22 144.38(13) . . . . ?
 C5 C6 C20 C19 -2.2(2) . . . . ?
 C5 C6 C20 C21 -154.20(13) . . . . ?
 C6 C7 C8 C9 -9.1(2) . . . . ?
 C6 C7 C8 C25 136.69(13) . . . . ?
 C6 C7 C22 C21 10.60(15) . . . . ?
 C6 C7 C22 C23 -142.98(13) . . . . ?
 C6 C20 C21 Si2 -142.65(11) . . . . ?
 C6 C20 C21 C22 15.02(14) . . . . ?
 C6 C20 C21 C40 140.40(12) . . . . ?
 C7 C6 C20 C19 142.75(13) . . . . ?
 C7 C6 C20 C21 -9.21(15) . . . . ?
 C7 C8 C9 Si1 -67.51(18) . . . . ?
 C7 C8 C9 C1 9.04(19) . . . . ?
 C7 C8 C9 C10 133.89(14) . . . . ?
 C7 C8 C25 C24 2.7(2) . . . . ?
 C7 C8 C25 C26 -140.59(13) . . . . ?
 C7 C22 C23 C24 1.11(19) . . . . ?
 C7 C22 C23 C42 137.91(14) . . . . ?
 C8 C7 C22 C21 155.13(12) . . . . ?
 C8 C7 C22 C23 1.5(2) . . . . ?
 C8 C9 C10 C11 -135.31(15) . . . . ?
 C8 C9 C10 C26 14.46(15) . . . . ?
 C8 C25 C26 C10 -0.27(16) . . . . ?
 C8 C25 C26 C27 145.24(14) . . . . ?
 C9 Si1 C1 C2 103.61(15) . . . . ?
 C9 Si1 C1 C5 -101.64(14) . . . . ?
 C9 Si1 C100 C101 39.84(15) . . . . ?
 C9 Si1 C100 C105 -127.94(13) . . . . ?
 C9 Si1 C120 C121 95.54(14) . . . . ?
 C9 Si1 C120 C125 -74.02(13) . . . . ?
 C9 C1 C2 C3 -138.74(13) . . . . ?
 C9 C1 C2 C12 9.7(2) . . . . ?
 C9 C1 C5 C4 140.29(12) . . . . ?
 C9 C1 C5 C6 -8.75(19) . . . . ?
 C9 C8 C25 C24 153.03(13) . . . . ?
 C9 C8 C25 C26 9.74(16) . . . . ?
 C9 C10 C11 C12 10.3(2) . . . . ?
 C9 C10 C11 C29 148.12(15) . . . . ?
 C9 C10 C26 C25 -9.25(16) . . . . ?
 C9 C10 C26 C27 -154.45(14) . . . . ?
 C10 C11 C12 C2 -0.5(2) . . . . ?
 C10 C11 C12 C13 141.75(15) . . . . ?
 C10 C11 C29 C28 0.9(2) . . . . ?
 C10 C11 C29 C30 -142.49(15) . . . . ?
 C10 C26 C27 C28 2.5(2) . . . . ?
 C10 C26 C27 C45 139.64(15) . . . . ?
 C11 C10 C26 C25 142.35(14) . . . . ?
 C11 C10 C26 C27 -2.9(2) . . . . ?
 C11 C12 C13 C14 -143.34(15) . . . . ?
 C11 C12 C13 C30 0.87(17) . . . . ?
 C11 C29 C30 C13 0.40(18) . . . . ?
 C11 C29 C30 C31 143.91(15) . . . . ?
 C12 C2 C3 C4 -140.97(14) . . . . ?
 C12 C2 C3 C15 3.7(2) . . . . ?
 C12 C11 C29 C28 143.50(15) . . . . ?
 C12 C11 C29 C30 0.13(17) . . . . ?
 C12 C13 C14 C15 2.1(2) . . . . ?
 C12 C13 C14 C33 138.93(15) . . . . ?
 C12 C13 C30 C29 -0.79(18) . . . . ?
 C12 C13 C30 C31 -144.37(15) . . . . ?
 C13 C14 C15 C3 -0.5(2) . . . . ?
 C13 C14 C15 C16 141.27(14) . . . . ?
 C13 C14 C33 C32 1.6(2) . . . . ?
 C13 C14 C33 C34 -141.18(14) . . . . ?
 C13 C30 C31 C32 0.3(2) . . . . ?
 C13 C30 C31 C48 138.14(15) . . . . ?
 C14 C13 C30 C29 144.00(14) . . . . ?
 C14 C13 C30 C31 0.4(2) . . . . ?
 C14 C15 C16 C17 -141.79(14) . . . . ?
 C14 C15 C16 C34 0.71(16) . . . . ?
 C14 C33 C34 C16 0.51(16) . . . . ?
 C14 C33 C34 C35 142.36(14) . . . . ?
 C15 C3 C4 C5 -144.94(13) . . . . ?
 C15 C3 C4 C18 -0.3(2) . . . . ?
 C15 C14 C33 C32 142.66(14) . . . . ?
 C15 C14 C33 C34 -0.07(16) . . . . ?
 C15 C16 C17 C18 -0.9(2) . . . . ?
 C15 C16 C17 C37 138.52(15) . . . . ?
 C15 C16 C34 C33 -0.75(16) . . . . ?
 C15 C16 C34 C35 -142.88(14) . . . . ?
 C16 C17 C18 C4 1.4(2) . . . . ?
 C16 C17 C18 C19 144.43(14) . . . . ?
 C16 C17 C37 C36 0.4(2) . . . . ?
 C16 C17 C37 C38 -143.99(14) . . . . ?
 C16 C34 C35 C36 -0.6(2) . . . . ?
 C16 C34 C35 C51 138.03(15) . . . . ?
 C17 C16 C34 C33 141.71(14) . . . . ?
 C17 C16 C34 C35 -0.4(2) . . . . ?
 C17 C18 C19 C20 -141.78(13) . . . . ?
 C17 C18 C19 C38 -0.73(16) . . . . ?
 C17 C37 C38 C19 -0.39(16) . . . . ?
 C17 C37 C38 C39 142.64(14) . . . . ?
 C18 C4 C5 C1 -154.15(13) . . . . ?
 C18 C4 C5 C6 -3.0(2) . . . . ?
 C18 C17 C37 C36 144.38(13) . . . . ?
 C18 C17 C37 C38 -0.06(16) . . . . ?
 C18 C19 C20 C6 0.0(2) . . . . ?
 C18 C19 C20 C21 147.77(14) . . . . ?
 C18 C19 C38 C37 0.69(16) . . . . ?
 C18 C19 C38 C39 -141.89(14) . . . . ?
 C19 C20 C21 Si2 66.53(18) . . . . ?
 C19 C20 C21 C22 -135.80(14) . . . . ?
 C19 C20 C21 C40 -10.42(19) . . . . ?
 C19 C38 C39 C40 -9.7(2) . . . . ?
 C19 C38 C39 C54 136.97(14) . . . . ?
 C20 C6 C7 C8 -145.58(13) . . . . ?
 C20 C6 C7 C22 -0.82(15) . . . . ?
 C20 C19 C38 C37 141.31(14) . . . . ?
 C20 C19 C38 C39 -1.3(2) . . . . ?
 C20 C21 C22 C7 -15.59(14) . . . . ?
 C20 C21 C22 C23 136.85(13) . . . . ?
 C20 C21 C40 Si2 121.67(12) . . . . ?
 C20 C21 C40 C39 0.11(17) . . . . ?
 C20 C21 C40 C41 -119.20(14) . . . . ?
 C21 Si2 C40 C39 100.85(14) . . . . ?
 C21 Si2 C40 C41 -103.93(14) . . . . ?
 C21 Si2 C140 C141 127.87(12) . . . . ?
 C21 Si2 C140 C145 -41.83(14) . . . . ?
 C21 Si2 C160 C161 71.85(13) . . . . ?
 C21 Si2 C160 C165 -94.81(14) . . . . ?
 C21 C22 C23 C24 -148.51(13) . . . . ?
 C21 C22 C23 C42 -11.7(2) . . . . ?
 C21 C40 C41 C42 -10.6(2) . . . . ?
 C21 C40 C41 C55 138.73(12) . . . . ?
 C22 C7 C8 C9 -149.25(13) . . . . ?
 C22 C7 C8 C25 -3.4(2) . . . . ?
 C22 C21 C40 Si2 -118.61(11) . . . . ?
 C22 C21 C40 C39 119.83(13) . . . . ?
 C22 C21 C40 C41 0.52(17) . . . . ?
 C22 C23 C24 C25 -1.8(2) . . . . ?
 C22 C23 C24 C44 142.14(13) . . . . ?
 C22 C23 C42 C41 1.0(2) . . . . ?
 C22 C23 C42 C43 -141.03(14) . . . . ?
 C23 C24 C25 C8 -0.1(2) . . . . ?
 C23 C24 C25 C26 138.93(14) . . . . ?
 C23 C24 C44 C43 -0.25(16) . . . . ?
 C23 C24 C44 C45 -144.58(14) . . . . ?
 C23 C42 C43 C44 -0.08(16) . . . . ?
 C23 C42 C43 C57 142.90(14) . . . . ?
 C24 C23 C42 C41 142.01(14) . . . . ?
 C24 C23 C42 C43 -0.07(15) . . . . ?
 C24 C25 C26 C10 -143.59(13) . . . . ?
 C24 C25 C26 C27 1.9(2) . . . . ?
 C24 C44 C45 C27 0.8(2) . . . . ?
 C24 C44 C45 C46 138.36(14) . . . . ?
 C25 C8 C9 Si1 143.92(11) . . . . ?
 C25 C8 C9 C1 -139.53(12) . . . . ?
 C25 C8 C9 C10 -14.68(15) . . . . ?
 C25 C24 C44 C43 144.11(13) . . . . ?
 C25 C24 C44 C45 -0.2(2) . . . . ?
 C25 C26 C27 C28 -138.52(15) . . . . ?
 C25 C26 C27 C45 -1.3(2) . . . . ?
 C26 C10 C11 C12 -136.65(15) . . . . ?
 C26 C10 C11 C29 1.2(2) . . . . ?
 C26 C27 C28 C29 -0.4(2) . . . . ?
 C26 C27 C28 C47 141.45(15) . . . . ?
 C26 C27 C45 C44 0.0(2) . . . . ?
 C26 C27 C45 C46 -141.99(14) . . . . ?
 C27 C28 C29 C11 -1.3(2) . . . . ?
 C27 C28 C29 C30 138.09(15) . . . . ?
 C27 C28 C47 C46 0.54(17) . . . . ?
 C27 C28 C47 C48 -142.06(15) . . . . ?
 C27 C45 C46 C47 0.77(17) . . . . ?
 C27 C45 C46 C58 143.09(14) . . . . ?
 C28 C27 C45 C44 141.53(14) . . . . ?
 C28 C27 C45 C46 -0.44(17) . . . . ?
 C28 C29 C30 C13 -143.49(15) . . . . ?
 C28 C29 C30 C31 0.0(2) . . . . ?
 C28 C47 C48 C31 -0.4(2) . . . . ?
 C28 C47 C48 C49 138.66(15) . . . . ?
 C29 C11 C12 C2 -142.87(15) . . . . ?
 C29 C11 C12 C13 -0.62(17) . . . . ?
 C29 C28 C47 C46 141.96(14) . . . . ?
 C29 C28 C47 C48 -0.6(2) . . . . ?
 C29 C30 C31 C32 -138.91(15) . . . . ?
 C29 C30 C31 C48 -1.1(2) . . . . ?
 C30 C13 C14 C15 -138.15(15) . . . . ?
 C30 C13 C14 C33 -1.3(2) . . . . ?
 C30 C31 C32 C33 -0.1(2) . . . . ?
 C30 C31 C32 C50 141.87(15) . . . . ?
 C30 C31 C48 C47 1.3(2) . . . . ?
 C30 C31 C48 C49 -142.07(15) . . . . ?
 C31 C32 C33 C14 -0.8(2) . . . . ?
 C31 C32 C33 C34 137.50(15) . . . . ?
 C31 C32 C50 C49 0.37(16) . . . . ?
 C31 C32 C50 C51 -142.26(14) . . . . ?
 C31 C48 C49 C50 -0.09(16) . . . . ?
 C31 C48 C49 C59 143.23(14) . . . . ?
 C32 C31 C48 C47 143.67(15) . . . . ?
 C32 C31 C48 C49 0.32(16) . . . . ?
 C32 C33 C34 C16 -142.03(14) . . . . ?
 C32 C33 C34 C35 -0.2(2) . . . . ?
 C32 C50 C51 C35 0.5(2) . . . . ?
 C32 C50 C51 C52 138.57(15) . . . . ?
 C33 C14 C15 C3 -142.19(14) . . . . ?
 C33 C14 C15 C16 -0.40(16) . . . . ?
 C33 C32 C50 C49 142.49(14) . . . . ?
 C33 C32 C50 C51 -0.1(2) . . . . ?
 C33 C34 C35 C36 -138.11(15) . . . . ?
 C33 C34 C35 C51 0.5(2) . . . . ?
 C34 C16 C17 C18 -138.90(15) . . . . ?
 C34 C16 C17 C37 0.5(2) . . . . ?
 C34 C35 C36 C37 1.6(2) . . . . ?
 C34 C35 C36 C53 142.49(14) . . . . ?
 C34 C35 C51 C50 -0.7(2) . . . . ?
 C34 C35 C51 C52 -143.23(14) . . . . ?
 C35 C36 C37 C17 -1.5(2) . . . . ?
 C35 C36 C37 C38 138.43(15) . . . . ?
 C35 C36 C53 C52 0.71(16) . . . . ?
 C35 C36 C53 C54 -141.46(14) . . . . ?
 C35 C51 C52 C53 0.36(16) . . . . ?
 C35 C51 C52 C60 142.59(14) . . . . ?
 C36 C35 C51 C50 142.58(14) . . . . ?
 C36 C35 C51 C52 0.07(17) . . . . ?
 C36 C37 C38 C19 -144.19(14) . . . . ?
 C36 C37 C38 C39 -1.2(2) . . . . ?
 C36 C53 C54 C39 -1.9(2) . . . . ?
 C36 C53 C54 C55 139.22(15) . . . . ?
 C37 C17 C18 C4 -142.49(13) . . . . ?
 C37 C17 C18 C19 0.50(16) . . . . ?
 C37 C36 C53 C52 141.88(14) . . . . ?
 C37 C36 C53 C54 -0.3(2) . . . . ?
 C37 C38 C39 C40 -147.66(14) . . . . ?
 C37 C38 C39 C54 -1.0(2) . . . . ?
 C38 C19 C20 C6 -136.33(14) . . . . ?
 C38 C19 C20 C21 11.4(2) . . . . ?
 C38 C39 C40 Si2 -64.9(2) . . . . ?
 C38 C39 C40 C21 9.6(2) . . . . ?
 C38 C39 C40 C41 135.60(15) . . . . ?
 C38 C39 C54 C53 2.6(2) . . . . ?
 C38 C39 C54 C55 -142.59(14) . . . . ?
 C39 C40 C41 C42 -135.35(15) . . . . ?
 C39 C40 C41 C55 14.01(15) . . . . ?
 C39 C54 C55 C41 0.25(17) . . . . ?
 C39 C54 C55 C56 145.41(14) . . . . ?
 C40 Si2 C21 C20 -104.08(14) . . . . ?
 C40 Si2 C21 C22 102.65(13) . . . . ?
 C40 Si2 C140 C141 72.58(14) . . . . ?
 C40 Si2 C140 C145 -97.12(14) . . . . ?
 C40 Si2 C160 C161 126.71(12) . . . . ?
 C40 Si2 C160 C165 -39.94(15) . . . . ?
 C40 C21 C22 C7 -142.18(12) . . . . ?
 C40 C21 C22 C23 10.27(19) . . . . ?
 C40 C39 C54 C53 153.98(14) . . . . ?
 C40 C39 C54 C55 8.80(17) . . . . ?
 C40 C41 C42 C23 10.3(2) . . . . ?
 C40 C41 C42 C43 147.78(14) . . . . ?
 C40 C41 C55 C54 -9.23(17) . . . . ?
 C40 C41 C55 C56 -153.88(14) . . . . ?
 C41 C42 C43 C44 -142.20(14) . . . . ?
 C41 C42 C43 C57 0.8(2) . . . . ?
 C41 C55 C56 C57 2.4(2) . . . . ?
 C41 C55 C56 C60 139.44(15) . . . . ?
 C42 C23 C24 C25 -143.76(13) . . . . ?
 C42 C23 C24 C44 0.19(15) . . . . ?
 C42 C41 C55 C54 141.74(14) . . . . ?
 C42 C41 C55 C56 -2.9(2) . . . . ?
 C42 C43 C44 C24 0.20(16) . . . . ?
 C42 C43 C44 C45 144.18(13) . . . . ?
 C42 C43 C57 C56 -1.3(2) . . . . ?
 C42 C43 C57 C58 -138.38(15) . . . . ?
 C43 C44 C45 C27 -138.91(14) . . . . ?
 C43 C44 C45 C46 -1.3(2) . . . . ?
 C43 C57 C58 C46 -1.0(2) . . . . ?
 C43 C57 C58 C59 141.31(14) . . . . ?
 C44 C24 C25 C8 -140.14(14) . . . . ?
 C44 C24 C25 C26 -1.1(2) . . . . ?
 C44 C43 C57 C56 137.63(15) . . . . ?
 C44 C43 C57 C58 0.6(2) . . . . ?
 C44 C45 C46 C47 -141.40(14) . . . . ?
 C44 C45 C46 C58 0.9(2) . . . . ?
 C45 C27 C28 C29 -141.89(15) . . . . ?
 C45 C27 C28 C47 -0.06(17) . . . . ?
 C45 C46 C47 C28 -0.81(17) . . . . ?
 C45 C46 C47 C48 141.88(14) . . . . ?
 C45 C46 C58 C57 0.2(2) . . . . ?
 C45 C46 C58 C59 -137.65(14) . . . . ?
 C46 C47 C48 C31 -138.73(15) . . . . ?
 C46 C47 C48 C49 0.4(2) . . . . ?
 C46 C58 C59 C49 0.2(2) . . . . ?
 C46 C58 C59 C60 142.66(14) . . . . ?
 C47 C28 C29 C11 -138.52(15) . . . . ?
 C47 C28 C29 C30 0.8(2) . . . . ?
 C47 C46 C58 C57 137.91(15) . . . . ?
 C47 C46 C58 C59 0.0(2) . . . . ?
 C47 C48 C49 C50 -143.47(14) . . . . ?
 C47 C48 C49 C59 -0.2(2) . . . . ?
 C48 C31 C32 C33 -142.37(15) . . . . ?
 C48 C31 C32 C50 -0.43(16) . . . . ?
 C48 C49 C50 C32 -0.17(16) . . . . ?
 C48 C49 C50 C51 142.69(14) . . . . ?
 C48 C49 C59 C58 -0.1(2) . . . . ?
 C48 C49 C59 C60 -138.14(15) . . . . ?
 C49 C50 C51 C35 -137.75(15) . . . . ?
 C49 C50 C51 C52 0.3(2) . . . . ?
 C49 C59 C60 C52 -0.4(2) . . . . ?
 C49 C59 C60 C56 142.13(14) . . . . ?
 C50 C32 C33 C14 -138.36(15) . . . . ?
 C50 C32 C33 C34 0.0(2) . . . . ?
 C50 C49 C59 C58 138.89(15) . . . . ?
 C50 C49 C59 C60 0.9(2) . . . . ?
 C50 C51 C52 C53 -142.08(14) . . . . ?
 C50 C51 C52 C60 0.2(2) . . . . ?
 C51 C35 C36 C37 -141.37(14) . . . . ?
 C51 C35 C36 C53 -0.48(16) . . . . ?
 C51 C52 C53 C36 -0.66(16) . . . . ?
 C51 C52 C53 C54 141.37(14) . . . . ?
 C51 C52 C60 C56 -138.03(15) . . . . ?
 C51 C52 C60 C59 -0.1(2) . . . . ?
 C52 C53 C54 C39 -139.90(15) . . . . ?
 C52 C53 C54 C55 1.2(2) . . . . ?
 C53 C36 C37 C17 -138.10(15) . . . . ?
 C53 C36 C37 C38 1.8(2) . . . . ?
 C53 C52 C60 C56 -0.5(2) . . . . ?
 C53 C52 C60 C59 137.42(15) . . . . ?
 C53 C54 C55 C41 -145.44(14) . . . . ?
 C53 C54 C55 C56 -0.3(2) . . . . ?
 C54 C39 C40 Si2 145.69(12) . . . . ?
 C54 C39 C40 C21 -139.81(12) . . . . ?
 C54 C39 C40 C41 -13.83(15) . . . . ?
 C54 C55 C56 C57 -138.15(15) . . . . ?
 C54 C55 C56 C60 -1.1(2) . . . . ?
 C55 C41 C42 C23 -136.14(14) . . . . ?
 C55 C41 C42 C43 1.3(2) . . . . ?
 C55 C56 C57 C43 -0.2(2) . . . . ?
 C55 C56 C57 C58 141.28(14) . . . . ?
 C55 C56 C60 C52 1.5(2) . . . . ?
 C55 C56 C60 C59 -141.02(14) . . . . ?
 C56 C57 C58 C46 -142.24(14) . . . . ?
 C56 C57 C58 C59 0.07(16) . . . . ?
 C57 C43 C44 C24 -143.38(13) . . . . ?
 C57 C43 C44 C45 0.6(2) . . . . ?
 C57 C56 C60 C52 142.74(15) . . . . ?
 C57 C56 C60 C59 0.26(16) . . . . ?
 C57 C58 C59 C49 -142.38(14) . . . . ?
 C57 C58 C59 C60 0.09(16) . . . . ?
 C58 C46 C47 C28 -142.98(14) . . . . ?
 C58 C46 C47 C48 -0.3(2) . . . . ?
 C58 C59 C60 C52 -142.76(14) . . . . ?
 C58 C59 C60 C56 -0.22(16) . . . . ?
 C59 C49 C50 C32 -143.68(14) . . . . ?
 C59 C49 C50 C51 -0.8(2) . . . . ?
 C60 C52 C53 C36 -142.88(15) . . . . ?
 C60 C52 C53 C54 -0.8(2) . . . . ?
 C60 C56 C57 C43 -141.72(14) . . . . ?
 C60 C56 C57 C58 -0.20(16) . . . . ?
 C100 Si1 C1 C2 8.23(15) . . . . ?
 C100 Si1 C1 C5 162.98(11) . . . . ?
 C100 Si1 C1 C9 -95.38(9) . . . . ?
 C100 Si1 C9 C1 106.04(9) . . . . ?
 C100 Si1 C9 C8 -149.63(12) . . . . ?
 C100 Si1 C9 C10 4.05(14) . . . . ?
 C100 Si1 C120 C121 -113.05(14) . . . . ?
 C100 Si1 C120 C125 77.40(15) . . . . ?
 C100 C101 C102 C103 -0.3(3) . . . . ?
 C100 C101 C109 C110 -141.60(16) . . . . ?
 C100 C101 C109 C111 96.98(19) . . . . ?
 C100 C105 C106 C107 -112.6(2) . . . . ?
 C100 C105 C106 C108 122.21(19) . . . . ?
 C101 C100 C105 C104 -5.4(2) . . . . ?
 C101 C100 C105 C106 172.68(15) . . . . ?
 C101 C102 C103 C104 -4.0(3) . . . . ?
 C102 C101 C109 C110 43.5(2) . . . . ?
 C102 C101 C109 C111 -77.9(2) . . . . ?
 C102 C103 C104 C105 3.5(3) . . . . ?
 C103 C104 C105 C100 1.2(3) . . . . ?
 C103 C104 C105 C106 -176.98(18) . . . . ?
 C104 C105 C106 C107 65.5(2) . . . . ?
 C104 C105 C106 C108 -59.6(2) . . . . ?
 C105 C100 C101 C102 5.0(2) . . . . ?
 C105 C100 C101 C109 -169.79(15) . . . . ?
 C109 C101 C102 C103 174.87(17) . . . . ?
 C120 Si1 C1 C2 -150.70(12) . . . . ?
 C120 Si1 C1 C5 4.05(14) . . . . ?
 C120 Si1 C1 C9 105.69(9) . . . . ?
 C120 Si1 C9 C1 -95.91(9) . . . . ?
 C120 Si1 C9 C8 8.41(15) . . . . ?
 C120 Si1 C9 C10 162.09(12) . . . . ?
 C120 Si1 C100 C101 -112.64(14) . . . . ?
 C120 Si1 C100 C105 79.58(15) . . . . ?
 C120 C121 C122 C123 0.3(3) . . . . ?
 C120 C121 C129 C130 -139.83(15) . . . . ?
 C120 C121 C129 C131 98.68(18) . . . . ?
 C120 C125 C126 C127 -117.73(18) . . . . ?
 C120 C125 C126 C128 118.28(17) . . . . ?
 C121 C120 C125 C124 -5.6(2) . . . . ?
 C121 C120 C125 C126 171.37(14) . . . . ?
 C121 C122 C123 C124 -3.4(3) . . . . ?
 C122 C121 C129 C130 46.27(19) . . . . ?
 C122 C121 C129 C131 -75.21(19) . . . . ?
 C122 C123 C124 C125 2.0(3) . . . . ?
 C123 C124 C125 C120 2.5(3) . . . . ?
 C123 C124 C125 C126 -174.51(16) . . . . ?
 C124 C125 C126 C127 59.3(2) . . . . ?
 C124 C125 C126 C128 -64.7(2) . . . . ?
 C125 C120 C121 C122 4.2(2) . . . . ?
 C125 C120 C121 C129 -169.61(14) . . . . ?
 C129 C121 C122 C123 174.54(16) . . . . ?
 C140 Si2 C21 C20 150.99(12) . . . . ?
 C140 Si2 C21 C22 -2.29(13) . . . . ?
 C140 Si2 C21 C40 -104.94(8) . . . . ?
 C140 Si2 C40 C21 96.89(9) . . . . ?
 C140 Si2 C40 C39 -162.27(12) . . . . ?
 C140 Si2 C40 C41 -7.04(15) . . . . ?
 C140 Si2 C160 C161 -79.54(15) . . . . ?
 C140 Si2 C160 C165 113.81(14) . . . . ?
 C140 C141 C142 C143 -1.6(3) . . . . ?
 C140 C141 C149 C150 -117.67(17) . . . . ?
 C140 C141 C149 C151 118.26(17) . . . . ?
 C140 C145 C146 C147 -98.33(18) . . . . ?
 C140 C145 C146 C148 139.77(16) . . . . ?
 C141 C140 C145 C144 -3.8(2) . . . . ?
 C141 C140 C145 C146 171.33(15) . . . . ?
 C141 C142 C143 C144 -2.1(3) . . . . ?
 C142 C141 C149 C150 64.2(2) . . . . ?
 C142 C141 C149 C151 -59.9(2) . . . . ?
 C142 C143 C144 C145 2.8(3) . . . . ?
 C143 C144 C145 C140 0.2(3) . . . . ?
 C143 C144 C145 C146 -175.36(18) . . . . ?
 C144 C145 C146 C147 76.91(19) . . . . ?
 C144 C145 C146 C148 -45.0(2) . . . . ?
 C145 C140 C141 C142 4.5(2) . . . . ?
 C145 C140 C141 C149 -173.57(14) . . . . ?
 C149 C141 C142 C143 176.58(18) . . . . ?
 C160 Si2 C21 C20 -7.25(14) . . . . ?
 C160 Si2 C21 C22 -160.52(11) . . . . ?
 C160 Si2 C21 C40 96.83(8) . . . . ?
 C160 Si2 C40 C21 -103.71(8) . . . . ?
 C160 Si2 C40 C39 -2.86(15) . . . . ?
 C160 Si2 C40 C41 152.36(12) . . . . ?
 C160 Si2 C140 C141 -80.24(15) . . . . ?
 C160 Si2 C140 C145 110.06(14) . . . . ?
 C160 C161 C162 C163 -1.0(3) . . . . ?
 C160 C161 C169 C170 115.01(17) . . . . ?
 C160 C161 C169 C171 -120.05(17) . . . . ?
 C160 C165 C166 C167 -92.48(18) . . . . ?
 C160 C165 C166 C168 145.16(16) . . . . ?
 C161 C160 C165 C164 -5.8(2) . . . . ?
 C161 C160 C165 C166 167.41(15) . . . . ?
 C161 C162 C163 C164 -3.1(3) . . . . ?
 C162 C161 C169 C170 -61.9(2) . . . . ?
 C162 C161 C169 C171 63.0(2) . . . . ?
 C162 C163 C164 C165 2.6(3) . . . . ?
 C163 C164 C165 C160 1.9(3) . . . . ?
 C163 C164 C165 C166 -171.71(16) . . . . ?
 C164 C165 C166 C167 80.80(18) . . . . ?
 C164 C165 C166 C168 -41.6(2) . . . . ?
 C165 C160 C161 C162 5.4(2) . . . . ?
 C165 C160 C161 C169 -171.50(14) . . . . ?
 C169 C161 C162 C163 176.00(16) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  1.231
_oxdiff_exptl_absorpt_empirical_full_min  0.816
