#------------------------------------------------------------------------------
#$Date: 2021-06-24 03:38:21 +0300 (Thu, 24 Jun 2021) $
#$Revision: 266645 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/85/7128546.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_7128546
loop_
_publ_author_name
'Townrow, Oliver P. E.'
'Weller, Andrew S.'
'Goicoechea, Jose M.'
_publ_section_title
;
 Cluster expansion and vertex substitution pathways in nickel germanide
 Zintl clusters
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D1CC02912F
_journal_year                    2021
_chemical_formula_moiety         'C32 H86 Ge8 Ni Si12, 1.5(C7 H8)'
_chemical_formula_sum            'C42.5 H98 Ge8 Ni Si12'
_chemical_formula_weight         1585.71
_chemical_name_systematic
;
 Ge8{Si(SiMe3)}3NiCp*1.5tol
;
_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   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2021-06-22 deposited with the CCDC.	2021-06-22 downloaded from the CCDC.
;
_cell_angle_alpha                97.455(4)
_cell_angle_beta                 97.365(4)
_cell_angle_gamma                102.627(3)
_cell_formula_units_Z            2
_cell_length_a                   9.5585(4)
_cell_length_b                   14.6574(6)
_cell_length_c                   27.0969(12)
_cell_measurement_reflns_used    6090
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      76.6140
_cell_measurement_theta_min      1.6662
_cell_volume                     3624.8(3)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4102
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0770
_diffrn_reflns_av_unetI/netI     0.1150
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            27423
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        66.499
_diffrn_reflns_theta_max         66.499
_diffrn_reflns_theta_min         1.666
_exptl_absorpt_coefficient_mu    6.059
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70163
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_description       needle
_exptl_crystal_F_000             1610
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.076
_refine_diff_density_min         -1.047
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.931
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         12793
_refine_ls_number_restraints     114
_refine_ls_restrained_S_all      0.929
_refine_ls_R_factor_all          0.0924
_refine_ls_R_factor_gt           0.0532
_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)+(0.0370P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1111
_refine_ls_wR_factor_ref         0.1328
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8236
_reflns_number_total             12793
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc02912f2.cif
_cod_data_source_block           OT190
_cod_original_formula_sum        'C42.50 H98 Ge8 Ni Si12'
_cod_database_code               7128546
_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.
;
_shelx_estimated_absorpt_t_min   0.408
_shelx_estimated_absorpt_t_max   0.794
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
Ge1 Ge 0.77286(8) 0.73817(5) 0.17525(3) 0.02800(18) Uani 1 1 d . . . . .
Ge2 Ge 0.71163(8) 0.55897(5) 0.21616(3) 0.02863(18) Uani 1 1 d . . . . .
Ge3 Ge 0.53248(9) 0.60417(6) 0.26863(3) 0.0357(2) Uani 1 1 d . . . . .
Ge4 Ge 0.60376(9) 0.81012(5) 0.22242(3) 0.0341(2) Uani 1 1 d . . . . .
Ge5 Ge 0.96334(9) 0.66712(5) 0.22090(3) 0.03150(19) Uani 1 1 d . . . . .
Ge6 Ge 0.84805(9) 0.65332(5) 0.30421(3) 0.03101(19) Uani 1 1 d . . . . .
Ge7 Ge 0.67663(9) 0.76588(5) 0.30515(3) 0.03145(19) Uani 1 1 d . . . . .
Ge8 Ge 0.90510(9) 0.82234(5) 0.26602(3) 0.03122(19) Uani 1 1 d . . . . .
Ni1 Ni 0.54035(12) 0.63674(7) 0.17719(4) 0.0312(3) Uani 1 1 d . . . . .
C1 C 0.4271(9) 0.5304(6) 0.1181(3) 0.053(2) Uani 1 1 d . . . . .
H1 H 0.462723 0.477280 0.106292 0.064 Uiso 1 1 calc R U . . .
C2 C 0.3430(8) 0.5348(6) 0.1562(4) 0.056(2) Uani 1 1 d . . . . .
H2 H 0.309146 0.485178 0.174182 0.067 Uiso 1 1 calc R U . . .
C3 C 0.3166(8) 0.6280(6) 0.1633(3) 0.053(2) Uani 1 1 d . . . . .
H3 H 0.263717 0.651885 0.187257 0.064 Uiso 1 1 calc R U . . .
C4 C 0.3838(8) 0.6771(6) 0.1280(3) 0.052(2) Uani 1 1 d . . . . .
H4 H 0.384212 0.740464 0.123766 0.062 Uiso 1 1 calc R U . . .
C5 C 0.4506(9) 0.6155(6) 0.1002(3) 0.055(2) Uani 1 1 d . . . . .
H5 H 0.502907 0.630161 0.073534 0.066 Uiso 1 1 calc R U . . .
Si1 Si 0.8346(2) 0.81768(12) 0.10552(7) 0.0295(4) Uani 1 1 d . . . . .
Si2 Si 0.8836(2) 0.71356(14) 0.03959(8) 0.0370(5) Uani 1 1 d . . . . .
C6 C 0.7197(9) 0.6231(5) 0.0056(3) 0.051(2) Uani 1 1 d . . . . .
H6A H 0.646515 0.654840 -0.007883 0.076 Uiso 1 1 calc R U . . .
H6B H 0.746490 0.584131 -0.022174 0.076 Uiso 1 1 calc R U . . .
H6C H 0.679671 0.582605 0.029012 0.076 Uiso 1 1 calc R U . . .
C7 C 1.0198(11) 0.6506(7) 0.0646(4) 0.087(4) Uani 1 1 d . . . . .
H7A H 1.107071 0.697078 0.082681 0.131 Uiso 1 1 calc R U . . .
H7B H 0.978512 0.610019 0.087776 0.131 Uiso 1 1 calc R U . . .
H7C H 1.045331 0.611545 0.036590 0.131 Uiso 1 1 calc R U . . .
C8 C 0.9511(12) 0.7826(6) -0.0101(3) 0.079(3) Uani 1 1 d . . . . .
H8A H 1.038234 0.832153 0.005041 0.119 Uiso 1 1 calc R U . . .
H8B H 0.974727 0.739806 -0.036986 0.119 Uiso 1 1 calc R U . . .
H8C H 0.875401 0.811800 -0.024276 0.119 Uiso 1 1 calc R U . . .
Si3 Si 1.0520(2) 0.93367(13) 0.14039(8) 0.0382(5) Uani 1 1 d . . . . .
C9 C 0.5085(10) 0.8183(6) 0.0268(4) 0.071(3) Uani 1 1 d . . . . .
H9A H 0.546072 0.782636 0.000499 0.106 Uiso 1 1 calc R U . . .
H9B H 0.449390 0.774122 0.044489 0.106 Uiso 1 1 calc R U . . .
H9C H 0.448620 0.856707 0.011261 0.106 Uiso 1 1 calc R U . . .
C10 C 0.5888(8) 0.9647(5) 0.1221(3) 0.045(2) Uani 1 1 d . . . . .
H10A H 0.669239 1.006528 0.146395 0.068 Uiso 1 1 calc R U . . .
H10B H 0.528688 1.002658 0.106379 0.068 Uiso 1 1 calc R U . . .
H10C H 0.529458 0.920072 0.139608 0.068 Uiso 1 1 calc R U . . .
C11 C 0.7580(10) 0.9867(6) 0.0366(3) 0.066(3) Uani 1 1 d . . . . .
H11A H 0.840799 1.030158 0.059197 0.099 Uiso 1 1 calc R U . . .
H11B H 0.792659 0.954015 0.008484 0.099 Uiso 1 1 calc R U . . .
H11C H 0.690234 1.022554 0.023578 0.099 Uiso 1 1 calc R U . . .
Si4 Si 0.6630(3) 0.89727(14) 0.07238(8) 0.0414(5) Uani 1 1 d . . . . .
C12 C 1.1406(11) 0.9888(6) 0.0902(3) 0.071(3) Uani 1 1 d . . . . .
H12A H 1.072880 1.017817 0.070997 0.106 Uiso 1 1 calc R U . . .
H12B H 1.228221 1.037569 0.105826 0.106 Uiso 1 1 calc R U . . .
H12C H 1.167019 0.940034 0.067423 0.106 Uiso 1 1 calc R U . . .
C13 C 1.1897(8) 0.8814(5) 0.1740(3) 0.050(2) Uani 1 1 d . . . . .
H13A H 1.210892 0.831120 0.150700 0.074 Uiso 1 1 calc R U . . .
H13B H 1.278977 0.930747 0.186737 0.074 Uiso 1 1 calc R U . . .
H13C H 1.151742 0.854740 0.202351 0.074 Uiso 1 1 calc R U . . .
C14 C 1.0121(9) 1.0295(5) 0.1851(3) 0.057(2) Uani 1 1 d . . . . .
H14A H 0.939641 1.057163 0.167519 0.085 Uiso 1 1 calc R U . . .
H14B H 0.974293 1.002706 0.213415 0.085 Uiso 1 1 calc R U . . .
H14C H 1.101528 1.078713 0.197802 0.085 Uiso 1 1 calc R U . . .
Si5 Si 0.7028(2) 0.39253(12) 0.19991(7) 0.0301(4) Uani 1 1 d . . . . .
Si6 Si 0.4720(2) 0.29090(13) 0.19788(8) 0.0369(5) Uani 1 1 d . . . . .
C15 C 0.3566(9) 0.2701(5) 0.1345(3) 0.054(2) Uani 1 1 d . . . . .
H15A H 0.408889 0.246492 0.108719 0.081 Uiso 1 1 calc R U . . .
H15B H 0.265891 0.223251 0.134212 0.081 Uiso 1 1 calc R U . . .
H15C H 0.334505 0.329757 0.127336 0.081 Uiso 1 1 calc R U . . .
C16 C 0.3706(9) 0.3360(5) 0.2467(3) 0.054(2) Uani 1 1 d . . . . .
H16A H 0.430458 0.347104 0.280092 0.080 Uiso 1 1 calc R U . . .
H16B H 0.348503 0.395536 0.239351 0.080 Uiso 1 1 calc R U . . .
H16C H 0.279889 0.289030 0.246227 0.080 Uiso 1 1 calc R U . . .
C17 C 0.4975(9) 0.1726(5) 0.2111(3) 0.051(2) Uani 1 1 d . . . . .
H17A H 0.557738 0.180554 0.244196 0.076 Uiso 1 1 calc R U . . .
H17B H 0.402560 0.130245 0.210985 0.076 Uiso 1 1 calc R U . . .
H17C H 0.545398 0.145097 0.185051 0.076 Uiso 1 1 calc R U . . .
Si7 Si 0.8692(2) 0.36387(14) 0.26532(8) 0.0389(5) Uani 1 1 d . . . . .
C18 C 0.7864(10) 0.3588(6) 0.3238(3) 0.062(3) Uani 1 1 d . . . . .
H18A H 0.692989 0.311912 0.316399 0.094 Uiso 1 1 calc R U . . .
H18B H 0.851622 0.340742 0.349672 0.094 Uiso 1 1 calc R U . . .
H18C H 0.771010 0.421239 0.335987 0.094 Uiso 1 1 calc R U . . .
C19 C 0.9102(9) 0.2462(5) 0.2449(3) 0.051(2) Uani 1 1 d . . . . .
H19A H 0.819408 0.196920 0.236448 0.077 Uiso 1 1 calc R U . . .
H19B H 0.958939 0.249423 0.215299 0.077 Uiso 1 1 calc R U . . .
H19C H 0.973756 0.231063 0.272471 0.077 Uiso 1 1 calc R U . . .
C20 C 1.0458(8) 0.4535(5) 0.2808(3) 0.048(2) Uani 1 1 d . . . . .
H20A H 1.091217 0.457195 0.250408 0.071 Uiso 1 1 calc R U . . .
H20B H 1.029366 0.515486 0.293160 0.071 Uiso 1 1 calc R U . . .
H20C H 1.109978 0.434989 0.306845 0.071 Uiso 1 1 calc R U . . .
Si8 Si 0.7905(2) 0.35782(13) 0.12444(8) 0.0351(5) Uani 1 1 d . . . . .
C21 C 0.7505(9) 0.2259(5) 0.1041(3) 0.047(2) Uani 1 1 d . . . . .
H21A H 0.645374 0.199308 0.099265 0.070 Uiso 1 1 calc R U . . .
H21B H 0.786456 0.212060 0.072382 0.070 Uiso 1 1 calc R U . . .
H21C H 0.798840 0.197532 0.130167 0.070 Uiso 1 1 calc R U . . .
C22 C 0.9914(8) 0.4074(5) 0.1336(3) 0.052(2) Uani 1 1 d . . . . .
H22A H 1.038880 0.381153 0.160722 0.078 Uiso 1 1 calc R U . . .
H22B H 1.027650 0.390505 0.102236 0.078 Uiso 1 1 calc R U . . .
H22C H 1.012835 0.476548 0.142490 0.078 Uiso 1 1 calc R U . . .
C23 C 0.7059(9) 0.4103(5) 0.0723(3) 0.052(2) Uani 1 1 d . . . . .
H23A H 0.600249 0.385578 0.066614 0.077 Uiso 1 1 calc R U . . .
H23B H 0.729169 0.479417 0.081625 0.077 Uiso 1 1 calc R U . . .
H23C H 0.743984 0.393373 0.041371 0.077 Uiso 1 1 calc R U . . .
Si9 Si 0.6407(2) 0.85238(13) 0.38075(7) 0.0306(4) Uani 1 1 d . . . . .
Si10 Si 0.3896(2) 0.84165(17) 0.36853(9) 0.0462(6) Uani 1 1 d . . . . .
C24 C 0.2830(10) 0.7163(7) 0.3586(5) 0.099(4) Uani 1 1 d . . . . .
H24A H 0.307613 0.680658 0.329143 0.148 Uiso 1 1 calc R U . . .
H24B H 0.306295 0.687965 0.388516 0.148 Uiso 1 1 calc R U . . .
H24C H 0.178989 0.714438 0.352990 0.148 Uiso 1 1 calc R U . . .
C25 C 0.3388(10) 0.8964(8) 0.3128(4) 0.086(4) Uani 1 1 d . . . . .
H25A H 0.364743 0.863219 0.282801 0.130 Uiso 1 1 calc R U . . .
H25B H 0.233948 0.891670 0.307648 0.130 Uiso 1 1 calc R U . . .
H25C H 0.391051 0.963301 0.318551 0.130 Uiso 1 1 calc R U . . .
C26 C 0.3392(10) 0.9061(8) 0.4246(4) 0.092(4) Uani 1 1 d . . . . .
H26A H 0.365289 0.878024 0.454394 0.138 Uiso 1 1 calc R U . . .
H26B H 0.391430 0.972889 0.430014 0.138 Uiso 1 1 calc R U . . .
H26C H 0.234328 0.901258 0.419110 0.138 Uiso 1 1 calc R U . . .
Si11 Si 0.7104(3) 0.77674(15) 0.44777(8) 0.0429(5) Uani 1 1 d . . . . .
C27 C 0.6193(11) 0.6470(5) 0.4321(4) 0.072(3) Uani 1 1 d . . . . .
H27A H 0.513609 0.638836 0.426291 0.107 Uiso 1 1 calc R U . . .
H27B H 0.649656 0.619204 0.401533 0.107 Uiso 1 1 calc R U . . .
H27C H 0.646934 0.615230 0.460153 0.107 Uiso 1 1 calc R U . . .
C28 C 0.9102(9) 0.7885(6) 0.4584(4) 0.072(3) Uani 1 1 d . . . . .
H28A H 0.939070 0.760115 0.427649 0.108 Uiso 1 1 calc R U . . .
H28B H 0.960465 0.855687 0.466756 0.108 Uiso 1 1 calc R U . . .
H28C H 0.936257 0.755757 0.486231 0.108 Uiso 1 1 calc R U . . .
C29 C 0.6553(12) 0.8307(7) 0.5063(3) 0.078(3) Uani 1 1 d . . . . .
H29A H 0.550020 0.824552 0.500675 0.117 Uiso 1 1 calc R U . . .
H29B H 0.681291 0.798048 0.534156 0.117 Uiso 1 1 calc R U . . .
H29C H 0.705499 0.897978 0.514681 0.117 Uiso 1 1 calc R U . . .
Si12 Si 0.7750(3) 1.00815(14) 0.38607(9) 0.0452(5) Uani 1 1 d . . . . .
C30 C 0.7481(11) 1.0508(6) 0.3244(3) 0.067(3) Uani 1 1 d . . . . .
H30A H 0.644812 1.047934 0.314359 0.101 Uiso 1 1 calc R U . . .
H30B H 0.804442 1.116397 0.327825 0.101 Uiso 1 1 calc R U . . .
H30C H 0.780844 1.010581 0.298766 0.101 Uiso 1 1 calc R U . . .
C31 C 0.9730(10) 1.0145(6) 0.4043(4) 0.077(3) Uani 1 1 d . . . . .
H31A H 0.988998 0.992312 0.436641 0.115 Uiso 1 1 calc R U . . .
H31B H 1.004966 0.974412 0.378323 0.115 Uiso 1 1 calc R U . . .
H31C H 1.028563 1.080228 0.407382 0.115 Uiso 1 1 calc R U . . .
C32 C 0.7208(13) 1.0902(6) 0.4350(4) 0.091(4) Uani 1 1 d . . . . .
H32A H 0.734268 1.068795 0.467640 0.136 Uiso 1 1 calc R U . . .
H32B H 0.781230 1.154456 0.437456 0.136 Uiso 1 1 calc R U . . .
H32C H 0.618442 1.090382 0.425348 0.136 Uiso 1 1 calc R U . . .
C1S C 0.267(2) 0.1505(9) 0.3350(6) 0.171(7) Uani 1 1 d . U . . .
H1S1 H 0.364660 0.144830 0.329842 0.257 Uiso 1 1 calc R U . . .
H1S2 H 0.222896 0.099091 0.351981 0.257 Uiso 1 1 calc R U . . .
H1S3 H 0.207101 0.146526 0.302223 0.257 Uiso 1 1 calc R U . . .
C2S C 0.277(2) 0.2408(11) 0.3657(5) 0.112(4) Uani 1 1 d . U . . .
C3S C 0.1633(16) 0.2685(9) 0.3789(5) 0.103(4) Uani 1 1 d . U . . .
H3S H 0.067818 0.230341 0.367228 0.123 Uiso 1 1 calc R U . . .
C4S C 0.1866(16) 0.3573(9) 0.4113(6) 0.112(4) Uani 1 1 d . U . . .
H4S H 0.105174 0.375611 0.422638 0.135 Uiso 1 1 calc R U . . .
C5S C 0.3118(17) 0.4130(10) 0.4256(6) 0.121(5) Uani 1 1 d . U . . .
H5S H 0.324980 0.474546 0.444299 0.145 Uiso 1 1 calc R U . . .
C6S C 0.4311(19) 0.3772(13) 0.4118(8) 0.140(6) Uani 1 1 d . U . . .
H6S H 0.524888 0.416997 0.424363 0.168 Uiso 1 1 calc R U . . .
C7S C 0.4280(19) 0.2972(12) 0.3842(6) 0.135(5) Uani 1 1 d . U . . .
H7S H 0.512064 0.277183 0.376680 0.163 Uiso 1 1 calc R U . . .
C1T C 1.195(4) 0.6433(17) 0.4900(16) 0.149(13) Uani 0.5 1 d . U P A -1
H1T1 H 1.277979 0.659892 0.517323 0.223 Uiso 0.5 1 calc R U P A -1
H1T2 H 1.228004 0.629765 0.457664 0.223 Uiso 0.5 1 calc R U P A -1
H1T3 H 1.147863 0.696456 0.489424 0.223 Uiso 0.5 1 calc R U P A -1
C2T C 1.087(6) 0.557(3) 0.498(2) 0.108(10) Uani 0.5 1 d . U P A -1
C3T C 0.957(5) 0.525(3) 0.4598(17) 0.113(12) Uani 0.5 1 d . U P A -1
H3T H 0.941101 0.558695 0.432869 0.135 Uiso 0.5 1 calc R U P A -1
C4T C 0.860(6) 0.443(3) 0.4646(18) 0.107(10) Uani 0.5 1 d . U P A -1
H4T H 0.785488 0.411995 0.437025 0.128 Uiso 0.5 1 calc R U P A -1
C5T C 0.869(6) 0.407(3) 0.5085(18) 0.113(11) Uani 0.5 1 d . U P A -1
H5T H 0.789575 0.359644 0.513916 0.136 Uiso 0.5 1 calc R U P A -1
C6T C 0.992(6) 0.439(2) 0.5455(18) 0.112(11) Uani 0.5 1 d . U P A -1
H6T H 1.004232 0.409831 0.574702 0.134 Uiso 0.5 1 calc R U P A -1
C7T C 1.096(5) 0.515(2) 0.5365(15) 0.096(10) Uani 0.5 1 d . U P A -1
H7T H 1.180468 0.537731 0.561223 0.115 Uiso 0.5 1 calc R U P A -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 '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
Ni1 Ge1 Si1 124.71(6) . . ?
Ni1 Ge1 Ge4 63.40(4) . . ?
Si1 Ge1 Ge4 112.19(6) . . ?
Ni1 Ge1 Ge5 106.71(4) . . ?
Si1 Ge1 Ge5 118.08(6) . . ?
Ge4 Ge1 Ge5 120.90(4) . . ?
Ni1 Ge1 Ge8 111.84(4) . . ?
Si1 Ge1 Ge8 117.14(5) . . ?
Ge4 Ge1 Ge8 69.49(3) . . ?
Ge5 Ge1 Ge8 61.35(3) . . ?
Si5 Ge2 Ni1 126.08(6) . . ?
Si5 Ge2 Ge3 115.51(6) . . ?
Ni1 Ge2 Ge3 63.68(4) . . ?
Si5 Ge2 Ge5 114.52(6) . . ?
Ni1 Ge2 Ge5 106.56(4) . . ?
Ge3 Ge2 Ge5 121.67(4) . . ?
Si5 Ge2 Ge6 117.22(6) . . ?
Ni1 Ge2 Ge6 112.34(4) . . ?
Ge3 Ge2 Ge6 70.12(3) . . ?
Ge5 Ge2 Ge6 61.56(3) . . ?
Ge7 Ge3 Ge2 96.96(4) . . ?
Ge7 Ge3 Ni1 92.43(4) . . ?
Ge2 Ge3 Ni1 56.29(4) . . ?
Ge7 Ge4 Ge1 97.59(4) . . ?
Ge7 Ge4 Ni1 92.71(4) . . ?
Ge1 Ge4 Ni1 56.28(3) . . ?
Ge7 Ge4 Ge8 56.11(3) . . ?
Ge1 Ge4 Ge8 57.20(3) . . ?
Ni1 Ge4 Ge8 98.09(4) . . ?
Ge1 Ge5 Ge2 70.67(3) . . ?
Ge1 Ge5 Ge8 60.72(3) . . ?
Ge2 Ge5 Ge8 96.49(4) . . ?
Ge1 Ge5 Ge6 96.90(4) . . ?
Ge2 Ge5 Ge6 60.46(3) . . ?
Ge8 Ge5 Ge6 63.38(3) . . ?
Ge7 Ge6 Ge2 91.81(4) . . ?
Ge7 Ge6 Ge5 105.79(4) . . ?
Ge2 Ge6 Ge5 57.98(3) . . ?
Ge7 Ge6 Ge8 57.32(3) . . ?
Ge2 Ge6 Ge8 91.74(3) . . ?
Ge5 Ge6 Ge8 58.24(3) . . ?
Si9 Ge7 Ge4 120.92(6) . . ?
Si9 Ge7 Ge3 123.63(6) . . ?
Ge4 Ge7 Ge3 86.38(4) . . ?
Si9 Ge7 Ge6 122.54(6) . . ?
Ge4 Ge7 Ge6 114.66(4) . . ?
Ge3 Ge7 Ge6 71.49(3) . . ?
Si9 Ge7 Ge8 120.37(6) . . ?
Ge4 Ge7 Ge8 70.96(3) . . ?
Ge3 Ge7 Ge8 114.84(4) . . ?
Ge6 Ge7 Ge8 65.50(3) . . ?
Ge7 Ge8 Ge1 92.17(4) . . ?
Ge7 Ge8 Ge5 105.80(3) . . ?
Ge1 Ge8 Ge5 57.93(3) . . ?
Ge7 Ge8 Ge6 57.18(3) . . ?
Ge1 Ge8 Ge6 92.05(3) . . ?
Ge5 Ge8 Ge6 58.39(3) . . ?
Ge7 Ge8 Ge4 52.93(3) . . ?
Ge1 Ge8 Ge4 53.31(3) . . ?
Ge5 Ge8 Ge4 104.26(3) . . ?
Ge6 Ge8 Ge4 95.97(3) . . ?
C1 Ni1 C2 38.9(3) . . ?
C1 Ni1 C3 66.2(3) . . ?
C2 Ni1 C3 40.1(3) . . ?
C1 Ni1 C4 65.5(3) . . ?
C2 Ni1 C4 65.8(3) . . ?
C3 Ni1 C4 39.1(3) . . ?
C1 Ni1 C5 38.5(3) . . ?
C2 Ni1 C5 64.9(4) . . ?
C3 Ni1 C5 65.6(4) . . ?
C4 Ni1 C5 39.1(3) . . ?
C1 Ni1 Ge1 123.8(3) . . ?
C2 Ni1 Ge1 162.6(3) . . ?
C3 Ni1 Ge1 142.7(3) . . ?
C4 Ni1 Ge1 107.8(2) . . ?
C5 Ni1 Ge1 99.6(3) . . ?
C1 Ni1 Ge2 100.8(2) . . ?
C2 Ni1 Ge2 106.5(2) . . ?
C3 Ni1 Ge2 140.9(3) . . ?
C4 Ni1 Ge2 165.7(2) . . ?
C5 Ni1 Ge2 127.2(2) . . ?
Ge1 Ni1 Ge2 75.87(4) . . ?
C1 Ni1 Ge4 151.1(2) . . ?
C2 Ni1 Ge4 132.2(3) . . ?
C3 Ni1 Ge4 93.9(2) . . ?
C4 Ni1 Ge4 85.8(2) . . ?
C5 Ni1 Ge4 115.2(2) . . ?
Ge1 Ni1 Ge4 60.32(4) . . ?
Ge2 Ni1 Ge4 107.60(5) . . ?
C1 Ni1 Ge3 118.2(3) . . ?
C2 Ni1 Ge3 87.3(3) . . ?
C3 Ni1 Ge3 92.6(3) . . ?
C4 Ni1 Ge3 128.9(3) . . ?
C5 Ni1 Ge3 152.2(3) . . ?
Ge1 Ni1 Ge3 108.17(5) . . ?
Ge2 Ni1 Ge3 60.03(4) . . ?
Ge4 Ni1 Ge3 81.74(4) . . ?
C5 C1 C2 109.1(8) . . ?
C5 C1 Ni1 71.8(5) . . ?
C2 C1 Ni1 71.0(5) . . ?
C5 C1 H1 125.5 . . ?
C2 C1 H1 125.5 . . ?
Ni1 C1 H1 123.3 . . ?
C1 C2 C3 107.6(8) . . ?
C1 C2 Ni1 70.1(5) . . ?
C3 C2 Ni1 70.0(4) . . ?
C1 C2 H2 126.2 . . ?
C3 C2 H2 126.2 . . ?
Ni1 C2 H2 125.3 . . ?
C4 C3 C2 107.0(8) . . ?
C4 C3 Ni1 70.9(4) . . ?
C2 C3 Ni1 69.9(4) . . ?
C4 C3 H3 126.5 . . ?
C2 C3 H3 126.5 . . ?
Ni1 C3 H3 124.3 . . ?
C3 C4 C5 107.8(8) . . ?
C3 C4 Ni1 70.0(5) . . ?
C5 C4 Ni1 70.5(5) . . ?
C3 C4 H4 126.1 . . ?
C5 C4 H4 126.1 . . ?
Ni1 C4 H4 125.0 . . ?
C1 C5 C4 108.5(8) . . ?
C1 C5 Ni1 69.8(5) . . ?
C4 C5 Ni1 70.4(5) . . ?
C1 C5 H5 125.7 . . ?
C4 C5 H5 125.7 . . ?
Ni1 C5 H5 125.7 . . ?
Si2 Si1 Si4 109.29(11) . . ?
Si2 Si1 Si3 108.63(11) . . ?
Si4 Si1 Si3 107.64(10) . . ?
Si2 Si1 Ge1 111.59(9) . . ?
Si4 Si1 Ge1 115.40(10) . . ?
Si3 Si1 Ge1 103.92(9) . . ?
C6 Si2 C7 108.2(4) . . ?
C6 Si2 C8 104.6(4) . . ?
C7 Si2 C8 110.9(5) . . ?
C6 Si2 Si1 113.5(3) . . ?
C7 Si2 Si1 110.2(3) . . ?
C8 Si2 Si1 109.4(3) . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C13 Si3 C14 109.2(4) . . ?
C13 Si3 C12 105.6(4) . . ?
C14 Si3 C12 108.4(4) . . ?
C13 Si3 Si1 111.8(2) . . ?
C14 Si3 Si1 110.1(3) . . ?
C12 Si3 Si1 111.5(3) . . ?
Si4 C9 H9A 109.5 . . ?
Si4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si4 C10 H10A 109.5 . . ?
Si4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si4 C11 H11A 109.5 . . ?
Si4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 Si4 C10 108.7(4) . . ?
C9 Si4 C11 106.4(5) . . ?
C10 Si4 C11 106.5(3) . . ?
C9 Si4 Si1 113.7(3) . . ?
C10 Si4 Si1 113.4(3) . . ?
C11 Si4 Si1 107.7(3) . . ?
Si3 C12 H12A 109.5 . . ?
Si3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si8 Si5 Si6 110.27(10) . . ?
Si8 Si5 Si7 106.66(10) . . ?
Si6 Si5 Si7 108.87(10) . . ?
Si8 Si5 Ge2 109.24(9) . . ?
Si6 Si5 Ge2 115.12(9) . . ?
Si7 Si5 Ge2 106.29(9) . . ?
C15 Si6 C16 109.0(4) . . ?
C15 Si6 C17 107.0(4) . . ?
C16 Si6 C17 107.2(4) . . ?
C15 Si6 Si5 111.9(3) . . ?
C16 Si6 Si5 112.7(3) . . ?
C17 Si6 Si5 108.8(3) . . ?
Si6 C15 H15A 109.5 . . ?
Si6 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si6 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si6 C16 H16A 109.5 . . ?
Si6 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si6 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si6 C17 H17A 109.5 . . ?
Si6 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si6 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C20 Si7 C18 108.2(4) . . ?
C20 Si7 C19 107.0(4) . . ?
C18 Si7 C19 108.9(4) . . ?
C20 Si7 Si5 114.5(3) . . ?
C18 Si7 Si5 109.8(3) . . ?
C19 Si7 Si5 108.3(3) . . ?
Si7 C18 H18A 109.5 . . ?
Si7 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si7 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si7 C19 H19A 109.5 . . ?
Si7 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si7 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si7 C20 H20A 109.5 . . ?
Si7 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si7 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 Si8 C23 107.5(4) . . ?
C22 Si8 C21 108.9(3) . . ?
C23 Si8 C21 108.3(4) . . ?
C22 Si8 Si5 110.0(3) . . ?
C23 Si8 Si5 111.9(3) . . ?
C21 Si8 Si5 110.0(2) . . ?
Si8 C21 H21A 109.5 . . ?
Si8 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si8 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si8 C22 H22A 109.5 . . ?
Si8 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si8 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si8 C23 H23A 109.5 . . ?
Si8 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si8 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si12 Si9 Si11 114.37(11) . . ?
Si12 Si9 Si10 111.87(11) . . ?
Si11 Si9 Si10 111.38(11) . . ?
Si12 Si9 Ge7 106.83(9) . . ?
Si11 Si9 Ge7 108.01(9) . . ?
Si10 Si9 Ge7 103.63(10) . . ?
C26 Si10 C25 108.4(5) . . ?
C26 Si10 C24 107.8(5) . . ?
C25 Si10 C24 109.2(6) . . ?
C26 Si10 Si9 110.1(3) . . ?
C25 Si10 Si9 109.6(3) . . ?
C24 Si10 Si9 111.7(3) . . ?
Si10 C24 H24A 109.5 . . ?
Si10 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si10 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si10 C25 H25A 109.5 . . ?
Si10 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si10 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si10 C26 H26A 109.5 . . ?
Si10 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si10 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 Si11 C29 109.5(5) . . ?
C28 Si11 C27 107.8(4) . . ?
C29 Si11 C27 110.1(5) . . ?
C28 Si11 Si9 111.1(3) . . ?
C29 Si11 Si9 109.1(3) . . ?
C27 Si11 Si9 109.2(3) . . ?
Si11 C27 H27A 109.5 . . ?
Si11 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si11 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si11 C28 H28A 109.5 . . ?
Si11 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si11 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si11 C29 H29A 109.5 . . ?
Si11 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si11 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C30 Si12 C31 108.4(5) . . ?
C30 Si12 C32 108.4(5) . . ?
C31 Si12 C32 108.0(5) . . ?
C30 Si12 Si9 111.1(3) . . ?
C31 Si12 Si9 109.7(3) . . ?
C32 Si12 Si9 111.0(3) . . ?
Si12 C30 H30A 109.5 . . ?
Si12 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si12 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si12 C31 H31A 109.5 . . ?
Si12 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si12 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si12 C32 H32A 109.5 . . ?
Si12 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si12 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C2S C1S H1S1 109.5 . . ?
C2S C1S H1S2 109.5 . . ?
H1S1 C1S H1S2 109.5 . . ?
C2S C1S H1S3 109.5 . . ?
H1S1 C1S H1S3 109.5 . . ?
H1S2 C1S H1S3 109.5 . . ?
C3S C2S C1S 123.4(18) . . ?
C3S C2S C7S 122.4(17) . . ?
C1S C2S C7S 114.0(17) . . ?
C2S C3S C4S 118.5(16) . . ?
C2S C3S H3S 120.7 . . ?
C4S C3S H3S 120.7 . . ?
C5S C4S C3S 122.8(17) . . ?
C5S C4S H4S 118.6 . . ?
C3S C4S H4S 118.6 . . ?
C4S C5S C6S 115.9(17) . . ?
C4S C5S H5S 122.1 . . ?
C6S C5S H5S 122.1 . . ?
C7S C6S C5S 128.4(19) . . ?
C7S C6S H6S 115.8 . . ?
C5S C6S H6S 115.8 . . ?
C6S C7S C2S 111.7(18) . . ?
C6S C7S H7S 124.1 . . ?
C2S C7S H7S 124.1 . . ?
C2T C1T H1T1 109.5 . . ?
C2T C1T H1T2 109.5 . . ?
H1T1 C1T H1T2 109.5 . . ?
C2T C1T H1T3 109.5 . . ?
H1T1 C1T H1T3 109.5 . . ?
H1T2 C1T H1T3 109.5 . . ?
C3T C2T C1T 115(4) . . ?
C3T C2T C7T 119(4) . . ?
C1T C2T C7T 126(5) . . ?
C2T C3T C4T 117(3) . . ?
C2T C3T H3T 121.7 . . ?
C4T C3T H3T 121.7 . . ?
C5T C4T C3T 120(5) . . ?
C5T C4T H4T 119.8 . . ?
C3T C4T H4T 119.8 . . ?
C4T C5T C6T 121(4) . . ?
C4T C5T H5T 119.4 . . ?
C6T C5T H5T 119.4 . . ?
C7T C6T C5T 115(4) . . ?
C7T C6T H6T 122.3 . . ?
C5T C6T H6T 122.3 . . ?
C6T C7T C2T 126(5) . . ?
C6T C7T H7T 117.0 . . ?
C2T C7T H7T 117.0 . . ?
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
Ge1 Ni1 2.3996(14) . ?
Ge1 Si1 2.4151(19) . ?
Ge1 Ge4 2.5067(11) . ?
Ge1 Ge5 2.5527(11) . ?
Ge1 Ge8 2.6274(11) . ?
Ge2 Si5 2.4030(18) . ?
Ge2 Ni1 2.4041(13) . ?
Ge2 Ge3 2.5037(11) . ?
Ge2 Ge5 2.5531(11) . ?
Ge2 Ge6 2.6199(11) . ?
Ge3 Ge7 2.4719(11) . ?
Ge3 Ni1 2.5906(14) . ?
Ge4 Ge7 2.4710(11) . ?
Ge4 Ni1 2.5798(13) . ?
Ge4 Ge8 2.9277(12) . ?
Ge5 Ge8 2.6434(11) . ?
Ge5 Ge6 2.6477(12) . ?
Ge6 Ge7 2.5670(11) . ?
Ge6 Ge8 2.7795(10) . ?
Ge7 Si9 2.370(2) . ?
Ge7 Ge8 2.5710(11) . ?
Ni1 C1 2.083(8) . ?
Ni1 C2 2.094(7) . ?
Ni1 C3 2.096(8) . ?
Ni1 C4 2.108(8) . ?
Ni1 C5 2.108(8) . ?
C1 C5 1.381(11) . ?
C1 C2 1.390(12) . ?
C1 H1 0.9500 . ?
C2 C3 1.435(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.406(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.412(11) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
Si1 Si2 2.358(3) . ?
Si1 Si4 2.364(3) . ?
Si1 Si3 2.374(3) . ?
Si2 C6 1.862(7) . ?
Si2 C7 1.862(9) . ?
Si2 C8 1.883(8) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
Si3 C13 1.862(8) . ?
Si3 C14 1.870(8) . ?
Si3 C12 1.872(8) . ?
C9 Si4 1.861(9) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 Si4 1.871(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si4 1.874(7) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
Si5 Si8 2.345(3) . ?
Si5 Si6 2.366(3) . ?
Si5 Si7 2.369(3) . ?
Si6 C15 1.868(8) . ?
Si6 C16 1.873(8) . ?
Si6 C17 1.876(7) . ?
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 . ?
Si7 C20 1.860(7) . ?
Si7 C18 1.861(8) . ?
Si7 C19 1.880(7) . ?
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 . ?
Si8 C22 1.871(8) . ?
Si8 C23 1.871(8) . ?
Si8 C21 1.880(7) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
Si9 Si12 2.338(3) . ?
Si9 Si11 2.347(3) . ?
Si9 Si10 2.348(3) . ?
Si10 C26 1.857(9) . ?
Si10 C25 1.860(10) . ?
Si10 C24 1.862(9) . ?
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 . ?
Si11 C28 1.860(9) . ?
Si11 C29 1.868(9) . ?
Si11 C27 1.878(8) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
Si12 C30 1.865(9) . ?
Si12 C31 1.872(9) . ?
Si12 C32 1.872(9) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C1S C2S 1.447(18) . ?
C1S H1S1 0.9800 . ?
C1S H1S2 0.9800 . ?
C1S H1S3 0.9800 . ?
C2S C3S 1.314(18) . ?
C2S C7S 1.49(2) . ?
C3S C4S 1.428(17) . ?
C3S H3S 0.9500 . ?
C4S C5S 1.273(15) . ?
C4S H4S 0.9500 . ?
C5S C6S 1.43(2) . ?
C5S H5S 0.9500 . ?
C6S C7S 1.30(2) . ?
C6S H6S 0.9500 . ?
C7S H7S 0.9500 . ?
C1T C2T 1.51(4) . ?
C1T H1T1 0.9800 . ?
C1T H1T2 0.9800 . ?
C1T H1T3 0.9800 . ?
C2T C3T 1.46(6) . ?
C2T C7T 1.27(5) . ?
C3T C4T 1.38(4) . ?
C3T H3T 0.9500 . ?
C4T C5T 1.36(5) . ?
C4T H4T 0.9500 . ?
C5T C6T 1.39(6) . ?
C5T H5T 0.9500 . ?
C6T C7T 1.39(4) . ?
C6T H6T 0.9500 . ?
C7T H7T 0.9500 . ?
