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#$Date: 2025-10-24 11:06:24 +0300 (Fri, 24 Oct 2025) $
#$Revision: 302989 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/60/1576068.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_1576068
loop_
_publ_author_name
'Uchida, Daichi'
'Yamada, Hiroko'
'Mizuhata, Yoshiyuki'
_publ_section_title
;
 A neutral homoaromatic heavy allene as a platform for selective
 conversion to a germylene-coordinated digermavinylidene
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D5SC07177A
_journal_year                    2025
_chemical_formula_moiety         'C56 H110 Ge3 N2 Si8, C6 H6'
_chemical_formula_sum            'C62 H116 Ge3 N2 Si8'
_chemical_formula_weight         1332.05
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_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
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_date             2025-09-04
_audit_creation_method
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2025-09-04 deposited with the CCDC.	2025-10-20 downloaded from the CCDC.
;
_cell_angle_alpha                93.6150(10)
_cell_angle_beta                 97.1890(10)
_cell_angle_gamma                109.0370(10)
_cell_formula_units_Z            2
_cell_length_a                   12.6987(5)
_cell_length_b                   16.2715(6)
_cell_length_c                   19.6919(7)
_cell_measurement_reflns_used    9170
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.390
_cell_measurement_theta_min      2.498
_cell_volume                     3792.6(2)
_computing_cell_refinement       'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.12'
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0420
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            118938
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         2.008
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    1.342
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6679
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0774 before and 0.0587 after correction.
The Ratio of minimum to maximum transmission is 0.8958.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.166
_exptl_crystal_description       block
_exptl_crystal_F_000             1420
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: benzene'
_exptl_crystal_size_max          0.189
_exptl_crystal_size_mid          0.165
_exptl_crystal_size_min          0.043
_refine_diff_density_max         0.685
_refine_diff_density_min         -0.423
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     696
_refine_ls_number_reflns         17355
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0379P)²+2.9687P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0818
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14901
_reflns_number_total             17355
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc07177a3.cif
_cod_data_source_block           Tbb2Ge3CH2_dmap
_cod_database_code               1576068
_shelx_shelxl_version_number     2019/3
_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_max   0.945
_shelx_estimated_absorpt_t_min   0.786
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C9(H9), C8(H8), C32(H32), C33(H33)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C4(H4), C28(H28), C30(H30), C50(H50), C51(H51), C52(H52), C53(H53),
 C54(H54), C55(H55), C56(H56), C57(H57), C59(H59), C60(H60)
2.d Fitted hexagon refined as free rotating group:
 C50(C51,C52,C53,C54,C55)
2.e Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C16(H16A,H16B,H16C), C21(H21A,H21B,H21C), C17(H17A,H17B,
 H17C), C23(H23A,H23B,H23C), C12(H12A,H12B,H12C), C18(H18A,H18B,H18C), C13(H13A,
 H13B,H13C), C20(H20A,H20B,H20C), C10(H10A,H10B,H10C), C14(H14A,H14B,H14C),
 C25(H25A,H25B,H25C), C41(H41A,H41B,H41C), C19(H19A,H19B,H19C), C15(H15A,H15B,
 H15C), C43(H43A,H43B,H43C), C24(H24A,H24B,H24C), C44(H44A,H44B,H44C), C45(H45A,
 H45B,H45C), C39(H39A,H39B,H39C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C),
 C35(H35A,H35B,H35C), C40(H40A,H40B,H40C), C42(H42A,H42B,H42C), C49(H49A,H49B,
 H49C), C38(H38A,H38B,H38C), C34(H34A,H34B,H34C), C47(H47A,H47B,H47C), C48(H48A,
 H48B,H48C), C61(H61A,H61B,H61C), C62(H62A,H62B,H62C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
C1 C 0.23216(16) 0.37295(11) 0.25155(10) 0.0183(4) Uani 1 1 d . . . . .
H1A H 0.149090 0.356700 0.245884 0.022 Uiso 1 1 calc R U . . .
H1B H 0.263828 0.370941 0.299737 0.022 Uiso 1 1 calc R U . . .
C2 C 0.26097(15) 0.18300(11) 0.18981(9) 0.0173(3) Uani 1 1 d . . . . .
C3 C 0.35179(15) 0.15092(12) 0.19438(9) 0.0178(3) Uani 1 1 d . . . . .
C6 C 0.13350(16) 0.03429(12) 0.18893(10) 0.0200(4) Uani 1 1 d . . . . .
H6 H 0.058839 -0.005249 0.186632 0.024 Uiso 1 1 calc R U . . .
C11 C 0.64764(19) 0.28426(15) 0.10652(13) 0.0343(5) Uani 1 1 d . . . . .
H11A H 0.680868 0.272233 0.066335 0.051 Uiso 1 1 calc R U . . .
H11B H 0.706798 0.305929 0.146788 0.051 Uiso 1 1 calc R U . . .
H11C H 0.612196 0.328532 0.097524 0.051 Uiso 1 1 calc R U . . .
Si1 Si 0.53894(4) 0.18138(4) 0.12351(3) 0.02240(11) Uani 1 1 d . . . . .
Si2 Si 0.54876(5) 0.22893(4) 0.28930(3) 0.02392(12) Uani 1 1 d . . . . .
Si3 Si -0.04329(4) 0.11925(3) 0.09843(3) 0.02073(11) Uani 1 1 d . . . . .
Si4 Si -0.00950(5) 0.13959(4) 0.26895(3) 0.02355(11) Uani 1 1 d . . . . .
Si5 Si 0.55667(5) 0.71695(4) 0.14348(3) 0.02280(11) Uani 1 1 d . . . . .
Si6 Si 0.69038(5) 0.63174(4) 0.25191(3) 0.02748(12) Uani 1 1 d . . . . .
Si7 Si 0.10043(5) 0.58310(4) 0.36425(3) 0.02624(12) Uani 1 1 d . . . . .
Si8 Si 0.27427(5) 0.49387(4) 0.43234(3) 0.02303(11) Uani 1 1 d . . . . .
Ge1 Ge 0.28624(2) 0.30814(2) 0.18188(2) 0.01628(5) Uani 1 1 d . . . . .
Ge2 Ge 0.38429(2) 0.41928(2) 0.12090(2) 0.02119(5) Uani 1 1 d . . . . .
Ge3 Ge 0.30838(2) 0.48382(2) 0.21341(2) 0.01519(5) Uani 1 1 d . . . . .
N1 N 0.16774(13) 0.51046(10) 0.17158(8) 0.0190(3) Uani 1 1 d . . . . .
N2 N -0.09760(13) 0.55960(10) 0.05378(8) 0.0204(3) Uani 1 1 d . . . . .
C4 C 0.33058(16) 0.06138(12) 0.19636(10) 0.0196(4) Uani 1 1 d . . . . .
H4 H 0.392360 0.040318 0.200062 0.024 Uiso 1 1 calc R U . . .
C5 C 0.22218(16) 0.00191(12) 0.19312(10) 0.0187(4) Uani 1 1 d . . . . .
C7 C 0.15110(15) 0.12401(12) 0.18800(9) 0.0181(4) Uani 1 1 d . . . . .
C9 C 0.04974(15) 0.15417(12) 0.18514(10) 0.0194(4) Uani 1 1 d . . . . .
H9 H 0.083260 0.219105 0.186116 0.023 Uiso 1 1 calc R U . . .
C8 C 0.47282(15) 0.20994(12) 0.19792(10) 0.0200(4) Uani 1 1 d . . . . .
H8 H 0.466225 0.268100 0.189269 0.024 Uiso 1 1 calc R U . . .
C16 C -0.11567(17) 0.20148(14) 0.08285(11) 0.0265(4) Uani 1 1 d . . . . .
H16A H -0.059607 0.258066 0.078407 0.040 Uiso 1 1 calc R U . . .
H16B H -0.154930 0.207654 0.121639 0.040 Uiso 1 1 calc R U . . .
H16C H -0.170322 0.181714 0.040355 0.040 Uiso 1 1 calc R U . . .
C22 C 0.20443(17) -0.09623(12) 0.19031(11) 0.0239(4) Uani 1 1 d . . . . .
C26 C 0.37906(15) 0.59288(11) 0.27830(9) 0.0161(3) Uani 1 1 d . . . . .
C21 C 0.11246(19) 0.16393(15) 0.33959(11) 0.0303(5) Uani 1 1 d . . . . .
H21A H 0.085616 0.162460 0.384186 0.045 Uiso 1 1 calc R U . . .
H21B H 0.166505 0.222106 0.337037 0.045 Uiso 1 1 calc R U . . .
H21C H 0.149326 0.120003 0.334635 0.045 Uiso 1 1 calc R U . . .
C27 C 0.48284(15) 0.65453(12) 0.26814(9) 0.0173(3) Uani 1 1 d . . . . .
C28 C 0.53040(16) 0.73160(12) 0.31351(10) 0.0202(4) Uani 1 1 d . . . . .
H28 H 0.599731 0.772612 0.306142 0.024 Uiso 1 1 calc R U . . .
C29 C 0.48115(16) 0.75084(12) 0.36860(10) 0.0205(4) Uani 1 1 d . . . . .
C17 C 0.04934(18) 0.12342(15) 0.03125(11) 0.0288(4) Uani 1 1 d . . . . .
H17A H 0.003710 0.111443 -0.014545 0.043 Uiso 1 1 calc R U . . .
H17B H 0.086083 0.079360 0.037188 0.043 Uiso 1 1 calc R U . . .
H17C H 0.106858 0.181645 0.035853 0.043 Uiso 1 1 calc R U . . .
C30 C 0.37975(16) 0.68954(12) 0.37812(10) 0.0205(4) Uani 1 1 d . . . . .
H30 H 0.343835 0.701495 0.415209 0.025 Uiso 1 1 calc R U . . .
C23 C 0.08338(17) -0.14993(13) 0.19761(12) 0.0280(4) Uani 1 1 d . . . . .
H23A H 0.064208 -0.127855 0.240151 0.042 Uiso 1 1 calc R U . . .
H23B H 0.076851 -0.211448 0.199257 0.042 Uiso 1 1 calc R U . . .
H23C H 0.031576 -0.144888 0.158086 0.042 Uiso 1 1 calc R U . . .
C31 C 0.32856(15) 0.61085(12) 0.33509(9) 0.0175(3) Uani 1 1 d . . . . .
C12 C 0.60509(19) 0.09510(14) 0.13707(13) 0.0327(5) Uani 1 1 d . . . . .
H12A H 0.548504 0.041779 0.147236 0.049 Uiso 1 1 calc R U . . .
H12B H 0.667193 0.116002 0.175780 0.049 Uiso 1 1 calc R U . . .
H12C H 0.634190 0.082390 0.095304 0.049 Uiso 1 1 calc R U . . .
C32 C 0.55083(15) 0.64093(12) 0.21294(10) 0.0196(4) Uani 1 1 d . . . . .
H32 H 0.506731 0.581384 0.188776 0.023 Uiso 1 1 calc R U . . .
C18 C -0.15233(17) 0.00805(13) 0.09055(12) 0.0291(4) Uani 1 1 d . . . . .
H18A H -0.191472 -0.007864 0.042987 0.044 Uiso 1 1 calc R U . . .
H18B H -0.206835 0.008363 0.121587 0.044 Uiso 1 1 calc R U . . .
H18C H -0.115855 -0.034668 0.102954 0.044 Uiso 1 1 calc R U . . .
C33 C 0.22558(15) 0.54594(12) 0.35618(10) 0.0187(4) Uani 1 1 d . . . . .
H33 H 0.197690 0.497699 0.317400 0.022 Uiso 1 1 calc R U . . .
C13 C 0.68485(18) 0.32164(15) 0.29721(13) 0.0361(5) Uani 1 1 d . . . . .
H13A H 0.670233 0.373441 0.281569 0.054 Uiso 1 1 calc R U . . .
H13B H 0.734608 0.305474 0.268770 0.054 Uiso 1 1 calc R U . . .
H13C H 0.721117 0.334629 0.345436 0.054 Uiso 1 1 calc R U . . .
C20 C -0.08576(19) 0.21908(16) 0.28113(12) 0.0333(5) Uani 1 1 d . . . . .
H20A H -0.114522 0.213312 0.325140 0.050 Uiso 1 1 calc R U . . .
H20B H -0.148869 0.206762 0.243461 0.050 Uiso 1 1 calc R U . . .
H20C H -0.033804 0.278769 0.281169 0.050 Uiso 1 1 calc R U . . .
C10 C 0.4272(2) 0.1397(2) 0.04612(13) 0.0449(6) Uani 1 1 d . . . . .
H10A H 0.382657 0.178707 0.041569 0.067 Uiso 1 1 calc R U . . .
H10B H 0.377886 0.080731 0.051362 0.067 Uiso 1 1 calc R U . . .
H10C H 0.462628 0.137801 0.004855 0.067 Uiso 1 1 calc R U . . .
C14 C 0.5769(2) 0.13102(16) 0.32037(12) 0.0384(5) Uani 1 1 d . . . . .
H14A H 0.616172 0.145604 0.367945 0.058 Uiso 1 1 calc R U . . .
H14B H 0.624070 0.112880 0.290990 0.058 Uiso 1 1 calc R U . . .
H14C H 0.505359 0.083140 0.318480 0.058 Uiso 1 1 calc R U . . .
C25 C 0.2304(2) -0.12562(14) 0.12039(13) 0.0370(5) Uani 1 1 d . . . . .
H25A H 0.220729 -0.188063 0.117601 0.056 Uiso 1 1 calc R U . . .
H25B H 0.308230 -0.092043 0.115822 0.056 Uiso 1 1 calc R U . . .
H25C H 0.178647 -0.115490 0.083193 0.056 Uiso 1 1 calc R U . . .
C41 C 0.1088(2) 0.68308(16) 0.32120(13) 0.0362(5) Uani 1 1 d . . . . .
H41A H 0.044461 0.701358 0.328680 0.054 Uiso 1 1 calc R U . . .
H41B H 0.107183 0.670441 0.271684 0.054 Uiso 1 1 calc R U . . .
H41C H 0.179099 0.730102 0.340550 0.054 Uiso 1 1 calc R U . . .
C19 C -0.1105(2) 0.02810(15) 0.27487(13) 0.0381(5) Uani 1 1 d . . . . .
H19A H -0.075487 -0.015827 0.264663 0.057 Uiso 1 1 calc R U . . .
H19B H -0.179052 0.016998 0.241552 0.057 Uiso 1 1 calc R U . . .
H19C H -0.129881 0.024689 0.321481 0.057 Uiso 1 1 calc R U . . .
C15 C 0.4576(2) 0.26013(18) 0.34596(12) 0.0389(6) Uani 1 1 d . . . . .
H15A H 0.387882 0.210642 0.344709 0.058 Uiso 1 1 calc R U . . .
H15B H 0.439378 0.310267 0.329646 0.058 Uiso 1 1 calc R U . . .
H15C H 0.497766 0.275874 0.393308 0.058 Uiso 1 1 calc R U . . .
C43 C 0.3126(2) 0.56449(16) 0.51638(11) 0.0394(6) Uani 1 1 d . . . . .
H43A H 0.350103 0.538230 0.550901 0.059 Uiso 1 1 calc R U . . .
H43B H 0.244106 0.569567 0.531529 0.059 Uiso 1 1 calc R U . . .
H43C H 0.363596 0.622727 0.510781 0.059 Uiso 1 1 calc R U . . .
C24 C 0.2846(2) -0.11319(15) 0.24841(14) 0.0365(5) Uani 1 1 d . . . . .
H24A H 0.269662 -0.092938 0.292979 0.055 Uiso 1 1 calc R U . . .
H24B H 0.362753 -0.081464 0.243227 0.055 Uiso 1 1 calc R U . . .
H24C H 0.272482 -0.176003 0.246152 0.055 Uiso 1 1 calc R U . . .
C44 C 0.40585(19) 0.47214(16) 0.41782(11) 0.0330(5) Uani 1 1 d . . . . .
H44A H 0.469979 0.526944 0.427299 0.050 Uiso 1 1 calc R U . . .
H44B H 0.397904 0.447859 0.369886 0.050 Uiso 1 1 calc R U . . .
H44C H 0.418684 0.430228 0.448657 0.050 Uiso 1 1 calc R U . . .
C45 C 0.1597(2) 0.38997(15) 0.44050(12) 0.0361(5) Uani 1 1 d . . . . .
H45A H 0.141096 0.351184 0.397376 0.054 Uiso 1 1 calc R U . . .
H45B H 0.092642 0.403095 0.450165 0.054 Uiso 1 1 calc R U . . .
H45C H 0.185176 0.361137 0.478250 0.054 Uiso 1 1 calc R U . . .
C39 C 0.7304(2) 0.55749(18) 0.19183(14) 0.0430(6) Uani 1 1 d . . . . .
H39A H 0.800995 0.550696 0.212451 0.064 Uiso 1 1 calc R U . . .
H39B H 0.740529 0.582622 0.148182 0.064 Uiso 1 1 calc R U . . .
H39C H 0.670602 0.500186 0.183341 0.064 Uiso 1 1 calc R U . . .
C46 C 0.54200(18) 0.83411(13) 0.41850(11) 0.0267(4) Uani 1 1 d . . . . .
C36 C 0.6499(3) 0.6992(2) 0.08233(16) 0.0640(10) Uani 1 1 d . . . . .
H36A H 0.623823 0.637295 0.064127 0.096 Uiso 1 1 calc R U . . .
H36B H 0.727437 0.716151 0.106430 0.096 Uiso 1 1 calc R U . . .
H36C H 0.647451 0.734875 0.044257 0.096 Uiso 1 1 calc R U . . .
C37 C 0.6746(2) 0.5824(2) 0.33461(13) 0.0442(6) Uani 1 1 d . . . . .
H37A H 0.613611 0.525689 0.326386 0.066 Uiso 1 1 calc R U . . .
H37B H 0.656639 0.621420 0.367723 0.066 Uiso 1 1 calc R U . . .
H37C H 0.745259 0.574054 0.353180 0.066 Uiso 1 1 calc R U . . .
C35 C 0.6060(2) 0.83506(15) 0.17607(13) 0.0443(6) Uani 1 1 d . . . . .
H35A H 0.609236 0.869878 0.137059 0.066 Uiso 1 1 calc R U . . .
H35B H 0.681287 0.851427 0.203351 0.066 Uiso 1 1 calc R U . . .
H35C H 0.553566 0.846130 0.204971 0.066 Uiso 1 1 calc R U . . .
C40 C 0.0801(3) 0.6093(2) 0.45385(16) 0.0604(9) Uani 1 1 d . . . . .
H40A H 0.144846 0.659089 0.476554 0.091 Uiso 1 1 calc R U . . .
H40B H 0.073641 0.558408 0.479268 0.091 Uiso 1 1 calc R U . . .
H40C H 0.011146 0.624107 0.452978 0.091 Uiso 1 1 calc R U . . .
C42 C -0.0269(2) 0.49136(19) 0.3219(2) 0.0722(12) Uani 1 1 d . . . . .
H42A H -0.094763 0.505344 0.328215 0.108 Uiso 1 1 calc R U . . .
H42B H -0.029280 0.437676 0.342534 0.108 Uiso 1 1 calc R U . . .
H42C H -0.023786 0.482785 0.272549 0.108 Uiso 1 1 calc R U . . .
C49 C 0.6473(2) 0.82345(18) 0.45876(14) 0.0489(7) Uani 1 1 d . . . . .
H49A H 0.697638 0.816398 0.426665 0.073 Uiso 1 1 calc R U . . .
H49B H 0.625051 0.771694 0.483624 0.073 Uiso 1 1 calc R U . . .
H49C H 0.686620 0.875457 0.491712 0.073 Uiso 1 1 calc R U . . .
C38 C 0.80773(19) 0.73958(19) 0.26975(16) 0.0486(7) Uani 1 1 d . . . . .
H38A H 0.876956 0.730777 0.290546 0.073 Uiso 1 1 calc R U . . .
H38B H 0.787836 0.778972 0.301505 0.073 Uiso 1 1 calc R U . . .
H38C H 0.819810 0.765412 0.226524 0.073 Uiso 1 1 calc R U . . .
C34 C 0.4124(2) 0.6905(2) 0.09496(15) 0.0540(8) Uani 1 1 d . . . . .
H34A H 0.365921 0.710630 0.123653 0.081 Uiso 1 1 calc R U . . .
H34B H 0.378653 0.627109 0.082704 0.081 Uiso 1 1 calc R U . . .
H34C H 0.416403 0.719845 0.052912 0.081 Uiso 1 1 calc R U . . .
C47 C 0.4692(2) 0.84959(18) 0.47065(15) 0.0515(7) Uani 1 1 d . . . . .
H47A H 0.510496 0.904148 0.500410 0.077 Uiso 1 1 calc R U . . .
H47B H 0.450989 0.800739 0.498805 0.077 Uiso 1 1 calc R U . . .
H47C H 0.399325 0.853815 0.446216 0.077 Uiso 1 1 calc R U . . .
C48 C 0.5762(3) 0.91341(15) 0.37926(14) 0.0483(7) Uani 1 1 d . . . . .
H48A H 0.627897 0.906478 0.348091 0.072 Uiso 1 1 calc R U . . .
H48B H 0.613928 0.966024 0.411849 0.072 Uiso 1 1 calc R U . . .
H48C H 0.508980 0.919037 0.352452 0.072 Uiso 1 1 calc R U . . .
C50 C 0.9333(2) 0.17105(17) 0.49044(11) 0.0724(10) Uani 1 1 d G . . . .
H50 H 0.948985 0.210471 0.456481 0.087 Uiso 1 1 calc R U . . .
C51 C 1.02077(16) 0.1526(2) 0.52892(15) 0.0882(13) Uani 1 1 d G . . . .
H51 H 1.096194 0.179465 0.521253 0.106 Uiso 1 1 calc R U . . .
C52 C 0.9979(2) 0.0949(2) 0.57861(14) 0.1048(16) Uani 1 1 d G . . . .
H52 H 1.057621 0.082353 0.604905 0.126 Uiso 1 1 calc R U . . .
C53 C 0.8875(3) 0.05567(16) 0.58982(13) 0.0981(15) Uani 1 1 d G . . . .
H53 H 0.871838 0.016246 0.623785 0.118 Uiso 1 1 calc R U . . .
C54 C 0.80005(19) 0.07409(15) 0.55135(14) 0.0735(10) Uani 1 1 d G . . . .
H54 H 0.724627 0.047251 0.559013 0.088 Uiso 1 1 calc R U . . .
C55 C 0.82296(17) 0.13178(17) 0.50166(12) 0.0669(9) Uani 1 1 d G . . . .
H55 H 0.763198 0.144363 0.475361 0.080 Uiso 1 1 calc R U . . .
C56 C 0.16722(16) 0.59249(12) 0.16697(10) 0.0204(4) Uani 1 1 d . . . . .
H56 H 0.229101 0.639607 0.191399 0.024 Uiso 1 1 calc R U . . .
C57 C -0.01343(16) 0.45749(12) 0.10034(10) 0.0217(4) Uani 1 1 d . . . . .
H57 H -0.076221 0.408564 0.079337 0.026 Uiso 1 1 calc R U . . .
C58 C -0.01358(15) 0.54359(12) 0.09286(9) 0.0184(4) Uani 1 1 d . . . . .
C59 C 0.07726(16) 0.44498(12) 0.13786(10) 0.0224(4) Uani 1 1 d . . . . .
H59 H 0.076421 0.386648 0.140281 0.027 Uiso 1 1 calc R U . . .
C60 C 0.08180(16) 0.61148(12) 0.12877(10) 0.0211(4) Uani 1 1 d . . . . .
H60 H 0.086739 0.670729 0.126399 0.025 Uiso 1 1 calc R U . . .
C61 C -0.19743(16) 0.48834(13) 0.02041(10) 0.0244(4) Uani 1 1 d . . . . .
H61A H -0.175441 0.450587 -0.011623 0.037 Uiso 1 1 calc R U . . .
H61B H -0.249990 0.512413 -0.004975 0.037 Uiso 1 1 calc R U . . .
H61C H -0.234063 0.454070 0.055360 0.037 Uiso 1 1 calc R U . . .
C62 C -0.09038(17) 0.64943(13) 0.04424(11) 0.0261(4) Uani 1 1 d . . . . .
H62A H -0.092022 0.680180 0.088305 0.039 Uiso 1 1 calc R U . . .
H62B H -0.154433 0.648998 0.010639 0.039 Uiso 1 1 calc R U . . .
H62C H -0.019849 0.679399 0.027367 0.039 Uiso 1 1 calc R U . . .
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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
H1A C1 H1B 111.0 . . ?
Ge1 C1 H1A 113.8 . . ?
Ge1 C1 H1B 113.8 . . ?
Ge3 C1 H1A 113.8 . . ?
Ge3 C1 H1B 113.8 . . ?
Ge3 C1 Ge1 89.16(8) . . ?
C3 C2 Ge1 120.61(13) . . ?
C7 C2 C3 119.06(16) . . ?
C7 C2 Ge1 120.27(13) . . ?
C2 C3 C8 122.56(16) . . ?
C4 C3 C2 119.31(16) . . ?
C4 C3 C8 118.14(16) . . ?
C5 C6 H6 119.1 . . ?
C5 C6 C7 121.75(17) . . ?
C7 C6 H6 119.1 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
C11 Si1 C8 107.43(10) . . ?
C11 Si1 C12 109.60(10) . . ?
C12 Si1 C8 114.86(10) . . ?
C10 Si1 C11 109.25(12) . . ?
C10 Si1 C8 108.57(10) . . ?
C10 Si1 C12 107.04(13) . . ?
C13 Si2 C8 109.58(10) . . ?
C14 Si2 C8 114.00(10) . . ?
C14 Si2 C13 109.26(12) . . ?
C15 Si2 C8 107.40(10) . . ?
C15 Si2 C13 108.54(11) . . ?
C15 Si2 C14 107.91(13) . . ?
C16 Si3 C9 107.86(9) . . ?
C17 Si3 C9 108.00(9) . . ?
C17 Si3 C16 107.83(10) . . ?
C17 Si3 C18 109.73(10) . . ?
C18 Si3 C9 114.35(10) . . ?
C18 Si3 C16 108.86(10) . . ?
C21 Si4 C9 107.18(9) . . ?
C21 Si4 C20 109.74(10) . . ?
C21 Si4 C19 108.44(11) . . ?
C20 Si4 C9 108.95(10) . . ?
C19 Si4 C9 115.22(10) . . ?
C19 Si4 C20 107.25(11) . . ?
C36 Si5 C32 109.72(11) . . ?
C35 Si5 C32 114.57(10) . . ?
C35 Si5 C36 108.72(16) . . ?
C34 Si5 C32 108.59(10) . . ?
C34 Si5 C36 108.27(16) . . ?
C34 Si5 C35 106.77(14) . . ?
C39 Si6 C32 109.06(11) . . ?
C39 Si6 C38 108.78(13) . . ?
C37 Si6 C32 109.51(10) . . ?
C37 Si6 C39 107.93(12) . . ?
C37 Si6 C38 108.15(14) . . ?
C38 Si6 C32 113.28(10) . . ?
C41 Si7 C33 112.47(10) . . ?
C41 Si7 C42 109.16(15) . . ?
C40 Si7 C33 115.27(12) . . ?
C40 Si7 C41 105.39(12) . . ?
C40 Si7 C42 108.06(18) . . ?
C42 Si7 C33 106.33(11) . . ?
C43 Si8 C33 114.47(10) . . ?
C43 Si8 C44 105.08(11) . . ?
C44 Si8 C33 109.10(9) . . ?
C45 Si8 C33 108.74(10) . . ?
C45 Si8 C43 108.63(12) . . ?
C45 Si8 C44 110.79(11) . . ?
C1 Ge1 Ge2 102.54(5) . . ?
C1 Ge1 Ge3 45.33(5) . . ?
C2 Ge1 C1 117.54(7) . . ?
C2 Ge1 Ge2 139.40(5) . . ?
C2 Ge1 Ge3 161.89(5) . . ?
Ge2 Ge1 Ge3 57.209(8) . . ?
Ge1 Ge2 Ge3 70.886(9) . . ?
C1 Ge3 Ge1 45.50(5) . . ?
C1 Ge3 Ge2 97.40(5) . . ?
C1 Ge3 N1 98.87(7) . . ?
C1 Ge3 C26 118.42(7) . . ?
Ge2 Ge3 Ge1 51.905(7) . . ?
N1 Ge3 Ge1 111.90(4) . . ?
N1 Ge3 Ge2 109.79(4) . . ?
C26 Ge3 Ge1 147.40(5) . . ?
C26 Ge3 Ge2 130.67(5) . . ?
C26 Ge3 N1 97.62(7) . . ?
C56 N1 Ge3 122.65(12) . . ?
C56 N1 C59 116.88(16) . . ?
C59 N1 Ge3 119.69(12) . . ?
C58 N2 C61 120.98(16) . . ?
C58 N2 C62 120.24(16) . . ?
C61 N2 C62 118.79(15) . . ?
C3 C4 H4 118.8 . . ?
C5 C4 C3 122.35(17) . . ?
C5 C4 H4 118.8 . . ?
C6 C5 C4 117.83(17) . . ?
C6 C5 C22 122.64(17) . . ?
C4 C5 C22 119.45(16) . . ?
C2 C7 C9 121.97(16) . . ?
C6 C7 C2 119.68(17) . . ?
C6 C7 C9 118.35(16) . . ?
Si3 C9 Si4 122.22(10) . . ?
Si3 C9 H9 103.5 . . ?
Si4 C9 H9 103.5 . . ?
C7 C9 Si3 111.63(13) . . ?
C7 C9 Si4 110.14(13) . . ?
C7 C9 H9 103.5 . . ?
C3 C8 Si1 112.21(13) . . ?
C3 C8 Si2 110.11(13) . . ?
C3 C8 H8 103.7 . . ?
Si1 C8 Si2 121.17(10) . . ?
Si1 C8 H8 103.7 . . ?
Si2 C8 H8 103.7 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C5 C22 C25 107.89(16) . . ?
C23 C22 C5 111.85(16) . . ?
C23 C22 C25 109.21(17) . . ?
C23 C22 C24 108.37(18) . . ?
C24 C22 C5 110.16(17) . . ?
C24 C22 C25 109.34(19) . . ?
C27 C26 Ge3 119.78(13) . . ?
C31 C26 Ge3 121.73(13) . . ?
C31 C26 C27 118.49(16) . . ?
Si4 C21 H21A 109.5 . . ?
Si4 C21 H21B 109.5 . . ?
Si4 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C26 C27 C32 124.27(16) . . ?
C28 C27 C26 119.06(17) . . ?
C28 C27 C32 116.59(16) . . ?
C27 C28 H28 118.4 . . ?
C29 C28 C27 123.16(17) . . ?
C29 C28 H28 118.4 . . ?
C28 C29 C30 117.12(17) . . ?
C28 C29 C46 120.01(17) . . ?
C30 C29 C46 122.76(18) . . ?
Si3 C17 H17A 109.5 . . ?
Si3 C17 H17B 109.5 . . ?
Si3 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C29 C30 H30 118.8 . . ?
C29 C30 C31 122.49(17) . . ?
C31 C30 H30 118.8 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C31 C33 123.44(16) . . ?
C30 C31 C26 119.65(17) . . ?
C30 C31 C33 116.72(16) . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si5 C32 Si6 116.29(10) . . ?
Si5 C32 H32 104.6 . . ?
Si6 C32 H32 104.6 . . ?
C27 C32 Si5 113.74(13) . . ?
C27 C32 Si6 111.55(13) . . ?
C27 C32 H32 104.6 . . ?
Si3 C18 H18A 109.5 . . ?
Si3 C18 H18B 109.5 . . ?
Si3 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si7 C33 Si8 115.99(10) . . ?
Si7 C33 H33 104.6 . . ?
Si8 C33 H33 104.6 . . ?
C31 C33 Si7 117.39(13) . . ?
C31 C33 Si8 108.14(12) . . ?
C31 C33 H33 104.6 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si4 C20 H20A 109.5 . . ?
Si4 C20 H20B 109.5 . . ?
Si4 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si1 C10 H10A 109.5 . . ?
Si1 C10 H10B 109.5 . . ?
Si1 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si7 C41 H41A 109.5 . . ?
Si7 C41 H41B 109.5 . . ?
Si7 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si4 C19 H19A 109.5 . . ?
Si4 C19 H19B 109.5 . . ?
Si4 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si8 C43 H43A 109.5 . . ?
Si8 C43 H43B 109.5 . . ?
Si8 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si8 C44 H44A 109.5 . . ?
Si8 C44 H44B 109.5 . . ?
Si8 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
Si8 C45 H45A 109.5 . . ?
Si8 C45 H45B 109.5 . . ?
Si8 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Si6 C39 H39A 109.5 . . ?
Si6 C39 H39B 109.5 . . ?
Si6 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C49 C46 C29 108.11(17) . . ?
C47 C46 C29 112.38(18) . . ?
C47 C46 C49 107.7(2) . . ?
C48 C46 C29 110.51(18) . . ?
C48 C46 C49 109.6(2) . . ?
C48 C46 C47 108.5(2) . . ?
Si5 C36 H36A 109.5 . . ?
Si5 C36 H36B 109.5 . . ?
Si5 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si6 C37 H37A 109.5 . . ?
Si6 C37 H37B 109.5 . . ?
Si6 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si5 C35 H35A 109.5 . . ?
Si5 C35 H35B 109.5 . . ?
Si5 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si7 C40 H40A 109.5 . . ?
Si7 C40 H40B 109.5 . . ?
Si7 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si7 C42 H42A 109.5 . . ?
Si7 C42 H42B 109.5 . . ?
Si7 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C46 C49 H49A 109.5 . . ?
C46 C49 H49B 109.5 . . ?
C46 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
Si6 C38 H38A 109.5 . . ?
Si6 C38 H38B 109.5 . . ?
Si6 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si5 C34 H34A 109.5 . . ?
Si5 C34 H34B 109.5 . . ?
Si5 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C51 C50 H50 120.0 . . ?
C51 C50 C55 120.0 . . ?
C55 C50 H50 120.0 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C51 C52 H52 120.0 . . ?
C51 C52 C53 120.0 . . ?
C53 C52 H52 120.0 . . ?
C52 C53 H53 120.0 . . ?
C52 C53 C54 120.0 . . ?
C54 C53 H53 120.0 . . ?
C53 C54 H54 120.0 . . ?
C55 C54 C53 120.0 . . ?
C55 C54 H54 120.0 . . ?
C50 C55 H55 120.0 . . ?
C54 C55 C50 120.0 . . ?
C54 C55 H55 120.0 . . ?
N1 C56 H56 118.4 . . ?
N1 C56 C60 123.28(17) . . ?
C60 C56 H56 118.4 . . ?
C58 C57 H57 120.0 . . ?
C59 C57 H57 120.0 . . ?
C59 C57 C58 119.93(17) . . ?
N2 C58 C57 122.37(17) . . ?
N2 C58 C60 122.30(17) . . ?
C60 C58 C57 115.33(16) . . ?
N1 C59 C57 123.94(17) . . ?
N1 C59 H59 118.0 . . ?
C57 C59 H59 118.0 . . ?
C56 C60 C58 120.57(17) . . ?
C56 C60 H60 119.7 . . ?
C58 C60 H60 119.7 . . ?
N2 C61 H61A 109.5 . . ?
N2 C61 H61B 109.5 . . ?
N2 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
N2 C62 H62A 109.5 . . ?
N2 C62 H62B 109.5 . . ?
N2 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 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
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 Ge1 1.9980(18) . ?
C1 Ge3 1.9922(18) . ?
C2 C3 1.408(2) . ?
C2 Ge1 1.9748(18) . ?
C2 C7 1.407(3) . ?
C3 C4 1.397(3) . ?
C3 C8 1.514(2) . ?
C6 H6 0.9500 . ?
C6 C5 1.386(3) . ?
C6 C7 1.405(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11 Si1 1.870(2) . ?
Si1 C8 1.883(2) . ?
Si1 C12 1.873(2) . ?
Si1 C10 1.870(2) . ?
Si2 C8 1.888(2) . ?
Si2 C13 1.868(2) . ?
Si2 C14 1.866(2) . ?
Si2 C15 1.864(2) . ?
Si3 C9 1.889(2) . ?
Si3 C16 1.874(2) . ?
Si3 C17 1.867(2) . ?
Si3 C18 1.869(2) . ?
Si4 C9 1.895(2) . ?
Si4 C21 1.866(2) . ?
Si4 C20 1.872(2) . ?
Si4 C19 1.870(2) . ?
Si5 C32 1.894(2) . ?
Si5 C36 1.863(3) . ?
Si5 C35 1.859(2) . ?
Si5 C34 1.858(3) . ?
Si6 C32 1.897(2) . ?
Si6 C39 1.868(2) . ?
Si6 C37 1.865(2) . ?
Si6 C38 1.873(3) . ?
Si7 C33 1.8960(19) . ?
Si7 C41 1.860(2) . ?
Si7 C40 1.858(3) . ?
Si7 C42 1.863(3) . ?
Si8 C33 1.903(2) . ?
Si8 C43 1.868(2) . ?
Si8 C44 1.868(2) . ?
Si8 C45 1.868(2) . ?
Ge1 Ge2 2.3328(3) . ?
Ge1 Ge3 2.8008(3) . ?
Ge2 Ge3 2.4919(3) . ?
Ge3 N1 2.0586(15) . ?
Ge3 C26 1.9938(17) . ?
N1 C56 1.346(2) . ?
N1 C59 1.348(2) . ?
N2 C58 1.341(2) . ?
N2 C61 1.456(2) . ?
N2 C62 1.460(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.392(3) . ?
C5 C22 1.535(2) . ?
C7 C9 1.516(2) . ?
C9 H9 1.0000 . ?
C8 H8 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C22 C23 1.530(3) . ?
C22 C25 1.538(3) . ?
C22 C24 1.534(3) . ?
C26 C27 1.418(2) . ?
C26 C31 1.417(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C27 C28 1.402(2) . ?
C27 C32 1.518(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.386(3) . ?
C29 C30 1.391(3) . ?
C29 C46 1.535(3) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C30 H30 0.9500 . ?
C30 C31 1.401(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C31 C33 1.513(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C32 H32 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C33 H33 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C46 C49 1.533(3) . ?
C46 C47 1.526(3) . ?
C46 C48 1.515(3) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C50 H50 0.9500 . ?
C50 C51 1.3900 . ?
C50 C55 1.3900 . ?
C51 H51 0.9500 . ?
C51 C52 1.3900 . ?
C52 H52 0.9500 . ?
C52 C53 1.3900 . ?
C53 H53 0.9500 . ?
C53 C54 1.3900 . ?
C54 H54 0.9500 . ?
C54 C55 1.3900 . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C56 C60 1.372(3) . ?
C57 H57 0.9500 . ?
C57 C58 1.419(3) . ?
C57 C59 1.368(3) . ?
C58 C60 1.415(3) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
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
C2 C3 C4 C5 0.8(3) . . . . ?
C2 C3 C8 Si1 -119.35(17) . . . . ?
C2 C3 C8 Si2 102.50(18) . . . . ?
C2 C7 C9 Si3 109.50(17) . . . . ?
C2 C7 C9 Si4 -111.36(17) . . . . ?
C3 C2 C7 C6 -1.7(3) . . . . ?
C3 C2 C7 C9 178.24(17) . . . . ?
C3 C4 C5 C6 -1.1(3) . . . . ?
C3 C4 C5 C22 175.61(17) . . . . ?
C6 C5 C22 C23 -11.9(3) . . . . ?
C6 C5 C22 C25 108.3(2) . . . . ?
C6 C5 C22 C24 -132.4(2) . . . . ?
C6 C7 C9 Si3 -70.6(2) . . . . ?
C6 C7 C9 Si4 68.54(19) . . . . ?
C11 Si1 C8 C3 150.60(14) . . . . ?
C11 Si1 C8 Si2 -76.47(14) . . . . ?
Ge1 C2 C3 C4 -176.72(14) . . . . ?
Ge1 C2 C3 C8 3.9(2) . . . . ?
Ge1 C2 C7 C6 175.64(14) . . . . ?
Ge1 C2 C7 C9 -4.5(2) . . . . ?
Ge3 N1 C56 C60 168.07(15) . . . . ?
Ge3 N1 C59 C57 -170.59(16) . . . . ?
Ge3 C26 C27 C28 178.88(13) . . . . ?
Ge3 C26 C27 C32 -4.6(2) . . . . ?
Ge3 C26 C31 C30 -178.16(13) . . . . ?
Ge3 C26 C31 C33 7.1(2) . . . . ?
N1 C56 C60 C58 1.6(3) . . . . ?
N2 C58 C60 C56 -178.51(18) . . . . ?
C4 C3 C8 Si1 61.2(2) . . . . ?
C4 C3 C8 Si2 -76.93(19) . . . . ?
C4 C5 C22 C23 171.62(18) . . . . ?
C4 C5 C22 C25 -68.3(2) . . . . ?
C4 C5 C22 C24 51.0(2) . . . . ?
C5 C6 C7 C2 1.4(3) . . . . ?
C5 C6 C7 C9 -178.48(17) . . . . ?
C7 C2 C3 C4 0.6(3) . . . . ?
C7 C2 C3 C8 -178.85(17) . . . . ?
C7 C6 C5 C4 -0.1(3) . . . . ?
C7 C6 C5 C22 -176.63(18) . . . . ?
C8 C3 C4 C5 -179.73(18) . . . . ?
C16 Si3 C9 Si4 75.35(13) . . . . ?
C16 Si3 C9 C7 -151.20(13) . . . . ?
C26 C27 C28 C29 0.3(3) . . . . ?
C26 C27 C32 Si5 112.48(18) . . . . ?
C26 C27 C32 Si6 -113.58(17) . . . . ?
C26 C31 C33 Si7 -125.65(16) . . . . ?
C26 C31 C33 Si8 100.79(18) . . . . ?
C21 Si4 C9 Si3 170.02(11) . . . . ?
C21 Si4 C9 C7 35.98(15) . . . . ?
C27 C26 C31 C30 2.1(3) . . . . ?
C27 C26 C31 C33 -172.69(16) . . . . ?
C27 C28 C29 C30 0.0(3) . . . . ?
C27 C28 C29 C46 176.38(18) . . . . ?
C28 C27 C32 Si5 -70.88(19) . . . . ?
C28 C27 C32 Si6 63.06(19) . . . . ?
C28 C29 C30 C31 0.7(3) . . . . ?
C28 C29 C46 C49 -68.0(3) . . . . ?
C28 C29 C46 C47 173.4(2) . . . . ?
C28 C29 C46 C48 52.0(3) . . . . ?
C29 C30 C31 C26 -1.8(3) . . . . ?
C29 C30 C31 C33 173.31(17) . . . . ?
C17 Si3 C9 Si4 -168.35(11) . . . . ?
C17 Si3 C9 C7 -34.90(16) . . . . ?
C30 C29 C46 C49 108.2(2) . . . . ?
C30 C29 C46 C47 -10.5(3) . . . . ?
C30 C29 C46 C48 -131.9(2) . . . . ?
C30 C31 C33 Si7 59.4(2) . . . . ?
C30 C31 C33 Si8 -74.12(18) . . . . ?
C31 C26 C27 C28 -1.4(3) . . . . ?
C31 C26 C27 C32 175.20(17) . . . . ?
C12 Si1 C8 C3 -87.18(15) . . . . ?
C12 Si1 C8 Si2 45.74(15) . . . . ?
C32 C27 C28 C29 -176.52(17) . . . . ?
C18 Si3 C9 Si4 -45.89(14) . . . . ?
C18 Si3 C9 C7 87.56(15) . . . . ?
C13 Si2 C8 C3 -166.41(13) . . . . ?
C13 Si2 C8 Si1 59.81(14) . . . . ?
C20 Si4 C9 Si3 -71.30(14) . . . . ?
C20 Si4 C9 C7 154.66(13) . . . . ?
C10 Si1 C8 C3 32.57(17) . . . . ?
C10 Si1 C8 Si2 165.49(13) . . . . ?
C14 Si2 C8 C3 70.80(16) . . . . ?
C14 Si2 C8 Si1 -62.98(15) . . . . ?
C41 Si7 C33 Si8 146.23(12) . . . . ?
C41 Si7 C33 C31 16.24(18) . . . . ?
C19 Si4 C9 Si3 49.25(16) . . . . ?
C19 Si4 C9 C7 -84.79(16) . . . . ?
C15 Si2 C8 C3 -48.69(16) . . . . ?
C15 Si2 C8 Si1 177.52(12) . . . . ?
C39 Si6 C32 Si5 -78.78(13) . . . . ?
C39 Si6 C32 C27 148.54(14) . . . . ?
C46 C29 C30 C31 -175.51(18) . . . . ?
C36 Si5 C32 Si6 44.55(18) . . . . ?
C36 Si5 C32 C27 176.22(18) . . . . ?
C37 Si6 C32 Si5 163.32(13) . . . . ?
C37 Si6 C32 C27 30.64(17) . . . . ?
C35 Si5 C32 Si6 -78.04(15) . . . . ?
C35 Si5 C32 C27 53.62(18) . . . . ?
C40 Si7 C33 Si8 25.37(17) . . . . ?
C40 Si7 C33 C31 -104.62(18) . . . . ?
C42 Si7 C33 Si8 -94.34(17) . . . . ?
C42 Si7 C33 C31 135.67(19) . . . . ?
C38 Si6 C32 Si5 42.51(16) . . . . ?
C38 Si6 C32 C27 -90.17(17) . . . . ?
C34 Si5 C32 Si6 162.72(14) . . . . ?
C34 Si5 C32 C27 -65.62(18) . . . . ?
C50 C51 C52 C53 0.0 . . . . ?
C51 C50 C55 C54 0.0 . . . . ?
C51 C52 C53 C54 0.0 . . . . ?
C52 C53 C54 C55 0.0 . . . . ?
C53 C54 C55 C50 0.0 . . . . ?
C55 C50 C51 C52 0.0 . . . . ?
C56 N1 C59 C57 -0.4(3) . . . . ?
C57 C58 C60 C56 0.7(3) . . . . ?
C58 C57 C59 N1 2.7(3) . . . . ?
C59 N1 C56 C60 -1.8(3) . . . . ?
C59 C57 C58 N2 176.49(19) . . . . ?
C59 C57 C58 C60 -2.7(3) . . . . ?
C61 N2 C58 C57 4.1(3) . . . . ?
C61 N2 C58 C60 -176.71(18) . . . . ?
C62 N2 C58 C57 -176.09(18) . . . . ?
C62 N2 C58 C60 3.1(3) . . . . ?
