#------------------------------------------------------------------------------
#$Date: 2022-03-23 01:53:08 +0200 (Wed, 23 Mar 2022) $
#$Revision: 273905 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/97/7709796.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_7709796
loop_
_publ_author_name
'Wesemann, Lars'
'Auer, Maximilian'
'Diab, Fatima'
'Schubert, Hartmut'
'Eichele, Klaus'
_publ_section_title
;
 Reactivity of Organogermanium and Organotin Trihydrides
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00681B
_journal_year                    2022
_chemical_formula_moiety         'C48 H102 Si8 Sn2, C6 H6'
_chemical_formula_sum            'C54 H108 Si8 Sn2'
_chemical_formula_weight         1219.54
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2022-02-21 deposited with the CCDC.	2022-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                108.1370(10)
_cell_angle_beta                 95.7350(10)
_cell_angle_gamma                104.1100(10)
_cell_formula_units_Z            1
_cell_length_a                   9.1345(2)
_cell_length_b                   12.1875(3)
_cell_length_c                   17.1264(3)
_cell_measurement_reflns_used    9871
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      28.09
_cell_measurement_theta_min      2.91
_cell_volume                     1724.96(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_av_unetI/netI     0.0178
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            35182
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.152
_diffrn_reflns_theta_min         2.912
_exptl_absorpt_coefficient_mu    0.892
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6932
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.174
_exptl_crystal_description       prism
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.717
_refine_diff_density_min         -0.536
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         8352
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0243
_refine_ls_R_factor_gt           0.0219
_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)+(0.0305P)²+0.8288P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0583
_refine_ls_wR_factor_ref         0.0600
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7782
_reflns_number_total             8352
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00681b2.cif
_cod_data_source_block           MA55_0m_a
_cod_database_code               7709796
_shelx_shelxl_version_number     2018/1
_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.
;
loop_
_space_group_symop_operation_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_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
Sn1 Sn 0.59967(2) 0.52637(2) 0.07409(2) 0.02115(4) Uani 1 1 d . . . . .
Si3 Si 0.11584(5) 0.41750(4) 0.13794(3) 0.02736(9) Uani 1 1 d . . . . .
Si4 Si 0.35618(5) 0.28813(4) 0.20188(3) 0.02769(10) Uani 1 1 d . . . . .
Si1 Si 0.62125(6) 0.92836(4) 0.19019(3) 0.02896(10) Uani 1 1 d . . . . .
Si2 Si 0.91996(6) 0.88002(5) 0.27871(4) 0.04146(13) Uani 1 1 d . . . . .
C1 C 0.42302(16) 0.53714(12) 0.21978(9) 0.0186(3) Uani 1 1 d . . . . .
C2 C 0.53278(16) 0.60952(12) 0.18985(8) 0.0179(3) Uani 1 1 d . . . . .
C3 C 0.40487(17) 0.58175(14) 0.30280(9) 0.0222(3) Uani 1 1 d . . . . .
H3 H 0.331636 0.532343 0.322671 0.027 Uiso 1 1 calc R U . . .
C4 C 0.49059(18) 0.69630(14) 0.35746(9) 0.0223(3) Uani 1 1 d . . . . .
C5 C 0.32072(16) 0.41234(13) 0.16472(9) 0.0209(3) Uani 1 1 d . . . . .
H5 H 0.357501 0.397488 0.110345 0.025 Uiso 1 1 calc R U . . .
C6 C 0.1269(2) 0.55490(17) 0.10945(12) 0.0349(4) Uani 1 1 d . . . . .
H6A H 0.022810 0.557164 0.091409 0.052 Uiso 1 1 calc R U . . .
H6B H 0.184084 0.552500 0.063763 0.052 Uiso 1 1 calc R U . . .
H6C H 0.179766 0.627144 0.158240 0.052 Uiso 1 1 calc R U . . .
C7 C 0.4737(2) 0.73990(16) 0.44928(9) 0.0297(3) Uani 1 1 d . . . . .
C8 C 0.61091(16) 0.72963(13) 0.24201(9) 0.0204(3) Uani 1 1 d . . . . .
C9 C 0.58790(18) 0.76926(14) 0.32466(9) 0.0241(3) Uani 1 1 d . . . . .
H9 H 0.641395 0.849715 0.359776 0.029 Uiso 1 1 calc R U . . .
C10 C 0.0052(2) 0.27850(19) 0.04767(14) 0.0479(5) Uani 1 1 d . . . . .
H10A H -0.092981 0.288164 0.026791 0.072 Uiso 1 1 calc R U . . .
H10B H -0.014084 0.208649 0.066086 0.072 Uiso 1 1 calc R U . . .
H10C H 0.064894 0.265897 0.002856 0.072 Uiso 1 1 calc R U . . .
C11 C 0.0077(2) 0.4285(2) 0.22568(14) 0.0492(5) Uani 1 1 d . . . . .
H11A H 0.066427 0.497889 0.274998 0.074 Uiso 1 1 calc R U . . .
H11B H -0.007792 0.354518 0.239190 0.074 Uiso 1 1 calc R U . . .
H11C H -0.092433 0.438789 0.208876 0.074 Uiso 1 1 calc R U . . .
C12 C 0.71929(18) 0.81865(13) 0.21338(10) 0.0251(3) Uani 1 1 d . . . . .
H12 H 0.732127 0.768646 0.157326 0.030 Uiso 1 1 calc R U . . .
C13 C 0.4530(3) 0.83969(19) 0.10285(13) 0.0465(5) Uani 1 1 d . . . . .
H13A H 0.400033 0.894471 0.089673 0.070 Uiso 1 1 calc R U . . .
H13B H 0.381924 0.780851 0.119792 0.070 Uiso 1 1 calc R U . . .
H13C H 0.488870 0.797251 0.053274 0.070 Uiso 1 1 calc R U . . .
C14 C 0.2413(3) 0.25853(19) 0.28158(14) 0.0464(5) Uani 1 1 d . . . . .
H14A H 0.269975 0.196878 0.300045 0.070 Uiso 1 1 calc R U . . .
H14B H 0.131536 0.230029 0.256724 0.070 Uiso 1 1 calc R U . . .
H14C H 0.262328 0.333188 0.329703 0.070 Uiso 1 1 calc R U . . .
C15 C 0.5484(3) 1.01239(19) 0.28153(13) 0.0452(5) Uani 1 1 d . . . . .
H15A H 0.635287 1.062831 0.327340 0.068 Uiso 1 1 calc R U . . .
H15B H 0.478756 0.954851 0.300137 0.068 Uiso 1 1 calc R U . . .
H15C H 0.493011 1.063619 0.265096 0.068 Uiso 1 1 calc R U . . .
C16 C 0.7552(3) 1.03912(19) 0.15590(15) 0.0510(5) Uani 1 1 d . . . . .
H16A H 0.699672 1.089615 0.138573 0.076 Uiso 1 1 calc R U . . .
H16B H 0.795755 0.995563 0.108709 0.076 Uiso 1 1 calc R U . . .
H16C H 0.840514 1.090214 0.202447 0.076 Uiso 1 1 calc R U . . .
C17 C 0.3066(3) 0.14594(18) 0.10938(14) 0.0534(6) Uani 1 1 d . . . . .
H17A H 0.324923 0.080804 0.127403 0.080 Uiso 1 1 calc R U . . .
H17B H 0.370861 0.157958 0.068493 0.080 Uiso 1 1 calc R U . . .
H17C H 0.198020 0.124391 0.083680 0.080 Uiso 1 1 calc R U . . .
C18 C 0.5636(2) 0.3317(2) 0.25017(18) 0.0541(6) Uani 1 1 d . . . . .
H18A H 0.589790 0.407904 0.297428 0.081 Uiso 1 1 calc R U . . .
H18B H 0.626721 0.341495 0.208405 0.081 Uiso 1 1 calc R U . . .
H18C H 0.583321 0.268457 0.270055 0.081 Uiso 1 1 calc R U . . .
C19 C 1.0602(3) 0.9076(2) 0.20932(19) 0.0623(7) Uani 1 1 d . . . . .
H19A H 1.165036 0.938787 0.242184 0.094 Uiso 1 1 calc R U . . .
H19B H 1.039014 0.966722 0.185378 0.094 Uiso 1 1 calc R U . . .
H19C H 1.049816 0.831762 0.164091 0.094 Uiso 1 1 calc R U . . .
C20 C 0.4625(5) 0.6381(3) 0.48490(15) 0.0870(11) Uani 1 1 d . . . . .
H20A H 0.549039 0.604774 0.474437 0.130 Uiso 1 1 calc R U . . .
H20B H 0.365641 0.574332 0.457742 0.130 Uiso 1 1 calc R U . . .
H20C H 0.465754 0.669870 0.545318 0.130 Uiso 1 1 calc R U . . .
C21 C 0.9039(4) 0.5153(3) 0.44002(18) 0.0760(9) Uani 1 1 d . . . . .
H21 H 0.837412 0.525635 0.398284 0.091 Uiso 1 1 calc R U . . .
C22 C 1.0307(4) 0.3906(3) 0.48582(19) 0.0732(8) Uani 1 1 d . . . . .
H22 H 1.051935 0.315432 0.476027 0.088 Uiso 1 1 calc R U . . .
C23 C 0.9342(4) 0.4067(3) 0.42596(16) 0.0738(9) Uani 1 1 d . . . . .
H23 H 0.888245 0.342110 0.374633 0.089 Uiso 1 1 calc R U . . .
C24 C 0.3282(3) 0.7773(3) 0.45462(15) 0.0791(10) Uani 1 1 d . . . . .
H24A H 0.312098 0.798857 0.512541 0.119 Uiso 1 1 calc R U . . .
H24B H 0.240720 0.710188 0.418231 0.119 Uiso 1 1 calc R U . . .
H24C H 0.337334 0.847069 0.436572 0.119 Uiso 1 1 calc R U . . .
C25 C 0.6110(3) 0.8436(3) 0.50367(13) 0.0738(9) Uani 1 1 d . . . . .
H25A H 0.599755 0.864172 0.562381 0.111 Uiso 1 1 calc R U . . .
H25B H 0.616543 0.913909 0.486572 0.111 Uiso 1 1 calc R U . . .
H25C H 0.705311 0.819782 0.497226 0.111 Uiso 1 1 calc R U . . .
C26 C 0.9493(3) 1.0247(2) 0.36862(16) 0.0655(7) Uani 1 1 d . . . . .
H26A H 0.878498 1.010530 0.406228 0.098 Uiso 1 1 calc R U . . .
H26B H 0.929084 1.086223 0.347017 0.098 Uiso 1 1 calc R U . . .
H26C H 1.055497 1.052509 0.399407 0.098 Uiso 1 1 calc R U . . .
C27 C 0.9594(3) 0.7632(3) 0.3200(2) 0.0853(11) Uani 1 1 d . . . . .
H27A H 0.934112 0.685706 0.273904 0.128 Uiso 1 1 calc R U . . .
H27B H 0.896273 0.754897 0.361997 0.128 Uiso 1 1 calc R U . . .
H27C H 1.068388 0.787523 0.345633 0.128 Uiso 1 1 calc R U . . .
H500 H 0.772(3) 0.607(2) 0.0674(14) 0.047(6) Uiso 1 1 d . . . . .
H501 H 0.630(3) 0.397(2) 0.0726(16) 0.059(7) Uiso 1 1 d . . . . .
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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'
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
C2 Sn1 Sn1 118.21(4) . 2_665 ?
C2 Sn1 H500 111.5(8) . . ?
Sn1 Sn1 H500 107.4(8) 2_665 . ?
C2 Sn1 H501 109.7(9) . . ?
Sn1 Sn1 H501 106.1(9) 2_665 . ?
H500 Sn1 H501 102.7(12) . . ?
C11 Si3 C6 107.27(10) . . ?
C11 Si3 C10 107.83(11) . . ?
C6 Si3 C10 110.35(10) . . ?
C11 Si3 C5 114.44(8) . . ?
C6 Si3 C5 107.42(7) . . ?
C10 Si3 C5 109.49(9) . . ?
C17 Si4 C18 109.87(12) . . ?
C17 Si4 C14 108.20(11) . . ?
C18 Si4 C14 107.54(11) . . ?
C17 Si4 C5 108.36(9) . . ?
C18 Si4 C5 108.65(8) . . ?
C14 Si4 C5 114.17(8) . . ?
C15 Si1 C13 107.91(11) . . ?
C15 Si1 C16 109.03(10) . . ?
C13 Si1 C16 108.51(11) . . ?
C15 Si1 C12 112.85(9) . . ?
C13 Si1 C12 107.84(8) . . ?
C16 Si1 C12 110.57(10) . . ?
C27 Si2 C19 108.18(15) . . ?
C27 Si2 C26 109.40(16) . . ?
C19 Si2 C26 108.86(12) . . ?
C27 Si2 C12 108.48(11) . . ?
C19 Si2 C12 108.44(11) . . ?
C26 Si2 C12 113.35(10) . . ?
C3 C1 C2 119.30(13) . . ?
C3 C1 C5 118.07(13) . . ?
C2 C1 C5 122.63(12) . . ?
C1 C2 C8 119.12(12) . . ?
C1 C2 Sn1 118.78(10) . . ?
C8 C2 Sn1 121.49(10) . . ?
C4 C3 C1 122.26(14) . . ?
C4 C3 H3 118.9 . . ?
C1 C3 H3 118.9 . . ?
C9 C4 C3 117.24(13) . . ?
C9 C4 C7 121.84(14) . . ?
C3 C4 C7 120.90(14) . . ?
C1 C5 Si4 112.88(10) . . ?
C1 C5 Si3 109.96(10) . . ?
Si4 C5 Si3 119.61(8) . . ?
C1 C5 H5 104.2 . . ?
Si4 C5 H5 104.2 . . ?
Si3 C5 H5 104.2 . . ?
Si3 C6 H6A 109.5 . . ?
Si3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C24 C7 C25 110.2(2) . . ?
C24 C7 C4 109.00(15) . . ?
C25 C7 C4 112.07(15) . . ?
C24 C7 C20 108.5(2) . . ?
C25 C7 C20 106.6(2) . . ?
C4 C7 C20 110.30(15) . . ?
C9 C8 C2 118.68(13) . . ?
C9 C8 C12 117.86(13) . . ?
C2 C8 C12 123.46(13) . . ?
C4 C9 C8 122.94(14) . . ?
C4 C9 H9 118.5 . . ?
C8 C9 H9 118.5 . . ?
Si3 C10 H10A 109.5 . . ?
Si3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si3 C11 H11A 109.5 . . ?
Si3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 Si2 113.16(11) . . ?
C8 C12 Si1 110.49(11) . . ?
Si2 C12 Si1 118.71(8) . . ?
C8 C12 H12 104.3 . . ?
Si2 C12 H12 104.3 . . ?
Si1 C12 H12 104.3 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si4 C14 H14A 109.5 . . ?
Si4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si4 C17 H17A 109.5 . . ?
Si4 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si4 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si4 C18 H18A 109.5 . . ?
Si4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si2 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C7 C20 H20A 109.5 . . ?
C7 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C7 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C23 120.4(3) 2_766 . ?
C22 C21 H21 119.8 2_766 . ?
C23 C21 H21 119.8 . . ?
C21 C22 C23 119.2(3) 2_766 . ?
C21 C22 H22 120.4 2_766 . ?
C23 C22 H22 120.4 . . ?
C21 C23 C22 120.4(3) . . ?
C21 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C7 C24 H24A 109.5 . . ?
C7 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C7 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C7 C25 H25A 109.5 . . ?
C7 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C7 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si2 C26 H26A 109.5 . . ?
Si2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si2 C27 H27A 109.5 . . ?
Si2 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si2 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
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
Sn1 C2 2.1504(14) . ?
Sn1 Sn1 2.7674(2) 2_665 ?
Sn1 H500 1.68(2) . ?
Sn1 H501 1.66(3) . ?
Si3 C11 1.868(2) . ?
Si3 C6 1.8677(19) . ?
Si3 C10 1.872(2) . ?
Si3 C5 1.9028(15) . ?
Si4 C17 1.866(2) . ?
Si4 C18 1.865(2) . ?
Si4 C14 1.871(2) . ?
Si4 C5 1.8971(16) . ?
Si1 C15 1.866(2) . ?
Si1 C13 1.868(2) . ?
Si1 C16 1.870(2) . ?
Si1 C12 1.8951(17) . ?
Si2 C27 1.866(3) . ?
Si2 C19 1.873(3) . ?
Si2 C26 1.884(3) . ?
Si2 C12 1.8899(17) . ?
C1 C3 1.398(2) . ?
C1 C2 1.414(2) . ?
C1 C5 1.5212(19) . ?
C2 C8 1.4140(19) . ?
C3 C4 1.395(2) . ?
C3 H3 0.9500 . ?
C4 C9 1.386(2) . ?
C4 C7 1.532(2) . ?
C5 H5 1.0000 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C24 1.508(3) . ?
C7 C25 1.516(3) . ?
C7 C20 1.531(3) . ?
C8 C9 1.402(2) . ?
C8 C12 1.517(2) . ?
C9 H9 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.376(4) 2_766 ?
C21 C23 1.371(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.377(5) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
