#------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/44/7104413.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_7104413
loop_
_publ_author_name
'Wang, Wenyuan'
'Inoue, Shigeyoshi'
'Yao, Shenglai'
'Driess, Matthias'
_publ_section_title
;
 An unsymmetric substituted digermylene with a Ge(I)-Ge(I) bond and
 synthesis of a germylene-stannylene with a Ge(I)-Sn(I) bond.
;
_journal_issue                   19
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2661
_journal_page_last               2663
_journal_paper_doi               10.1039/b900592g
_journal_volume                  34
_journal_year                    2009
_chemical_formula_sum            'C46 H65 Ge2 N3'
_chemical_formula_weight         805.19
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 116.030(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   44.536(2)
_cell_length_b                   9.8204(5)
_cell_length_c                   21.8135(10)
_cell_measurement_reflns_used    3839
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.9953
_cell_measurement_theta_min      3.0030
_cell_volume                     8572.7(7)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur S Sapphire'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0954
_diffrn_reflns_av_sigmaI/netI    0.1885
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20162
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    1.436
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74676
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            prism
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       red
_exptl_crystal_F_000             3408
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.590
_refine_diff_density_min         -0.578
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.917
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     476
_refine_ls_number_reflns         7493
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.917
_refine_ls_R_factor_all          0.1461
_refine_ls_R_factor_gt           0.0559
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0261P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0777
_refine_ls_wR_factor_ref         0.0965
_reflns_number_gt                3708
_reflns_number_total             7493
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b900592g.txt
_cod_data_source_block           CCDC716013
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7104413
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.125811(13) 0.88502(6) 0.48734(3) 0.02159(16) Uani 1 1 d . . .
N1 N 0.16230(9) 0.9714(4) 0.57042(19) 0.0173(10) Uani 1 1 d . . .
C1 C 0.18005(13) 1.1995(5) 0.6239(3) 0.0394(17) Uani 1 1 d . . .
H1A H 0.1996 1.1865 0.6151 0.059 Uiso 1 1 calc R . .
H1B H 0.1867 1.1903 0.6729 0.059 Uiso 1 1 calc R . .
H1C H 0.1707 1.2904 0.6087 0.059 Uiso 1 1 calc R . .
Ge2 Ge 0.137242(14) 0.63017(6) 0.50531(3) 0.02485(17) Uani 1 1 d . . .
N2 N 0.09391(9) 0.9141(4) 0.53038(18) 0.0171(10) Uani 1 1 d . . .
C2 C 0.15393(12) 1.0929(5) 0.5854(2) 0.0199(13) Uani 1 1 d . . .
N3 N 0.13153(9) 0.5793(4) 0.41436(19) 0.0189(10) Uani 1 1 d . . .
C3 C 0.12084(11) 1.1280(6) 0.5695(2) 0.0229(12) Uani 1 1 d . . .
H3 H 0.1161 1.2224 0.5696 0.027 Uiso 1 1 calc R . .
C4 C 0.09404(12) 1.0385(5) 0.5536(2) 0.0183(13) Uani 1 1 d . . .
C5 C 0.06469(12) 1.0897(5) 0.5642(2) 0.0263(14) Uani 1 1 d . . .
H5A H 0.0451 1.0973 0.5200 0.039 Uiso 1 1 calc R . .
H5B H 0.0700 1.1793 0.5862 0.039 Uiso 1 1 calc R . .
H5C H 0.0600 1.0258 0.5934 0.039 Uiso 1 1 calc R . .
C6 C 0.19709(12) 0.9317(5) 0.6040(3) 0.0261(14) Uani 1 1 d . . .
C7 C 0.21655(13) 0.9389(5) 0.5685(3) 0.0269(14) Uani 1 1 d . . .
C8 C 0.25065(13) 0.9109(5) 0.6037(3) 0.0318(15) Uani 1 1 d . . .
H8 H 0.2644 0.9165 0.5805 0.038 Uiso 1 1 calc R . .
C9 C 0.26461(13) 0.8751(6) 0.6717(3) 0.0383(15) Uani 1 1 d . . .
H9 H 0.2878 0.8547 0.6949 0.046 Uiso 1 1 calc R . .
C10 C 0.24504(13) 0.8689(6) 0.7059(3) 0.0346(15) Uani 1 1 d . . .
H10 H 0.2551 0.8472 0.7532 0.041 Uiso 1 1 calc R . .
C11 C 0.21094(12) 0.8937(6) 0.6729(2) 0.0252(13) Uani 1 1 d . . .
C12 C 0.19018(13) 0.8741(7) 0.7121(3) 0.0389(15) Uani 1 1 d . . .
H12 H 0.1671 0.9078 0.6826 0.047 Uiso 1 1 calc R . .
C13 C 0.18757(18) 0.7250(7) 0.7278(4) 0.073(2) Uani 1 1 d . . .
H13A H 0.2099 0.6898 0.7575 0.110 Uiso 1 1 calc R . .
H13B H 0.1781 0.6729 0.6852 0.110 Uiso 1 1 calc R . .
H13C H 0.1731 0.7162 0.7509 0.110 Uiso 1 1 calc R . .
C14 C 0.20328(16) 0.9515(7) 0.7787(3) 0.074(2) Uani 1 1 d . . .
H14A H 0.2235 0.9068 0.8123 0.111 Uiso 1 1 calc R . .
H14B H 0.1862 0.9527 0.7957 0.111 Uiso 1 1 calc R . .
H14C H 0.2086 1.0451 0.7714 0.111 Uiso 1 1 calc R . .
C15 C 0.20215(13) 0.9780(6) 0.4930(3) 0.0344(16) Uani 1 1 d . . .
H15 H 0.1773 0.9804 0.4747 0.041 Uiso 1 1 calc R . .
C16 C 0.21377(16) 1.1215(6) 0.4845(3) 0.0602(19) Uani 1 1 d . . .
H16A H 0.2075 1.1870 0.5108 0.090 Uiso 1 1 calc R . .
H16B H 0.2031 1.1470 0.4362 0.090 Uiso 1 1 calc R . .
H16C H 0.2381 1.1218 0.5012 0.090 Uiso 1 1 calc R . .
C17 C 0.21069(13) 0.8744(6) 0.4518(2) 0.0448(16) Uani 1 1 d . . .
H17A H 0.2348 0.8763 0.4655 0.067 Uiso 1 1 calc R . .
H17B H 0.1986 0.8965 0.4032 0.067 Uiso 1 1 calc R . .
H17C H 0.2042 0.7834 0.4600 0.067 Uiso 1 1 calc R . .
C18 C 0.06510(12) 0.8268(5) 0.5154(2) 0.0185(13) Uani 1 1 d . . .
C19 C 0.06657(14) 0.7282(5) 0.5630(3) 0.0241(14) Uani 1 1 d . . .
C20 C 0.03761(13) 0.6555(5) 0.5500(3) 0.0273(14) Uani 1 1 d . . .
H20 H 0.0379 0.5907 0.5826 0.033 Uiso 1 1 calc R . .
C21 C 0.00864(14) 0.6743(5) 0.4916(3) 0.0318(15) Uani 1 1 d . . .
H21 H -0.0108 0.6234 0.4841 0.038 Uiso 1 1 calc R . .
C22 C 0.00800(13) 0.7673(5) 0.4441(3) 0.0258(14) Uani 1 1 d . . .
H22 H -0.0118 0.7777 0.4028 0.031 Uiso 1 1 calc R . .
C23 C 0.03574(12) 0.8465(5) 0.4549(2) 0.0163(12) Uani 1 1 d . . .
C24 C 0.09752(15) 0.7035(6) 0.6278(3) 0.0336(16) Uani 1 1 d . . .
H24 H 0.1167 0.7433 0.6217 0.040 Uiso 1 1 calc R . .
C25 C 0.10518(14) 0.5526(6) 0.6443(3) 0.0425(17) Uani 1 1 d . . .
H25A H 0.0880 0.5121 0.6552 0.064 Uiso 1 1 calc R . .
H25B H 0.1271 0.5430 0.6836 0.064 Uiso 1 1 calc R . .
H25C H 0.1054 0.5059 0.6049 0.064 Uiso 1 1 calc R . .
C26 C 0.09583(17) 0.7770(6) 0.6880(3) 0.074(2) Uani 1 1 d . . .
H26A H 0.0936 0.8752 0.6791 0.111 Uiso 1 1 calc R . .
H26B H 0.1163 0.7590 0.7296 0.111 Uiso 1 1 calc R . .
H26C H 0.0765 0.7440 0.6939 0.111 Uiso 1 1 calc R . .
C27 C 0.03348(12) 0.9455(5) 0.3995(2) 0.0217(13) Uani 1 1 d . . .
H27 H 0.0533 1.0071 0.4198 0.026 Uiso 1 1 calc R . .
C28 C 0.03557(12) 0.8702(6) 0.3405(2) 0.0351(15) Uani 1 1 d . . .
H28A H 0.0560 0.8156 0.3577 0.053 Uiso 1 1 calc R . .
H28B H 0.0359 0.9363 0.3071 0.053 Uiso 1 1 calc R . .
H28C H 0.0161 0.8104 0.3186 0.053 Uiso 1 1 calc R . .
C29 C 0.00219(12) 1.0357(5) 0.3734(3) 0.0332(15) Uani 1 1 d . . .
H29A H -0.0177 0.9794 0.3489 0.050 Uiso 1 1 calc R . .
H29B H 0.0036 1.1050 0.3425 0.050 Uiso 1 1 calc R . .
H29C H 0.0006 1.0802 0.4121 0.050 Uiso 1 1 calc R . .
C30 C 0.21006(13) 0.5587(6) 0.6049(2) 0.0421(17) Uani 1 1 d . . .
H30A H 0.2267 0.4927 0.6055 0.063 Uiso 1 1 calc R . .
H30B H 0.2014 0.5298 0.6371 0.063 Uiso 1 1 calc R . .
H30C H 0.2205 0.6485 0.6182 0.063 Uiso 1 1 calc R . .
C31 C 0.18173(12) 0.5662(5) 0.5341(2) 0.0226(13) Uani 1 1 d . . .
C32 C 0.18487(13) 0.5012(5) 0.4813(3) 0.0237(14) Uani 1 1 d . . .
H32 H 0.2049 0.4549 0.4884 0.028 Uiso 1 1 calc R . .
C33 C 0.15769(13) 0.5057(5) 0.4173(3) 0.0226(14) Uani 1 1 d . . .
C34 C 0.15643(12) 0.4245(5) 0.3577(2) 0.0326(15) Uani 1 1 d . . .
H34A H 0.1468 0.3346 0.3575 0.049 Uiso 1 1 calc R . .
H34B H 0.1791 0.4138 0.3618 0.049 Uiso 1 1 calc R . .
H34C H 0.1426 0.4723 0.3152 0.049 Uiso 1 1 calc R . .
C35 C 0.10086(12) 0.5856(5) 0.3516(2) 0.0195(13) Uani 1 1 d . . .
C36 C 0.07598(13) 0.4886(5) 0.3419(3) 0.0225(14) Uani 1 1 d . . .
C37 C 0.04654(13) 0.4934(6) 0.2806(3) 0.0299(15) Uani 1 1 d . . .
H37 H 0.0292 0.4294 0.2728 0.036 Uiso 1 1 calc R . .
C38 C 0.04240(13) 0.5893(6) 0.2317(3) 0.0313(15) Uani 1 1 d . . .
H38 H 0.0223 0.5916 0.1906 0.038 Uiso 1 1 calc R . .
C39 C 0.06727(13) 0.6820(5) 0.2419(3) 0.0258(14) Uani 1 1 d . . .
H39 H 0.0641 0.7469 0.2073 0.031 Uiso 1 1 calc R . .
C40 C 0.09698(13) 0.6833(5) 0.3017(3) 0.0219(13) Uani 1 1 d . . .
C41 C 0.12436(13) 0.7860(5) 0.3112(3) 0.0265(15) Uani 1 1 d . . .
H41 H 0.1424 0.7764 0.3588 0.032 Uiso 1 1 calc R . .
C42 C 0.13950(15) 0.7559(7) 0.2620(3) 0.0529(19) Uani 1 1 d . . .
H42A H 0.1481 0.6626 0.2691 0.079 Uiso 1 1 calc R . .
H42B H 0.1578 0.8198 0.2703 0.079 Uiso 1 1 calc R . .
H42C H 0.1223 0.7660 0.2149 0.079 Uiso 1 1 calc R . .
C43 C 0.11156(14) 0.9309(5) 0.3021(3) 0.0349(16) Uani 1 1 d . . .
H43A H 0.0946 0.9440 0.2550 0.052 Uiso 1 1 calc R . .
H43B H 0.1302 0.9941 0.3120 0.052 Uiso 1 1 calc R . .
H43C H 0.1016 0.9484 0.3335 0.052 Uiso 1 1 calc R . .
C44 C 0.07991(13) 0.3736(6) 0.3926(3) 0.0322(14) Uani 1 1 d . . .
H44 H 0.1026 0.3830 0.4317 0.039 Uiso 1 1 calc R . .
C45 C 0.07846(16) 0.2358(6) 0.3605(3) 0.0502(19) Uani 1 1 d . . .
H45A H 0.0558 0.2193 0.3251 0.075 Uiso 1 1 calc R . .
H45B H 0.0846 0.1650 0.3955 0.075 Uiso 1 1 calc R . .
H45C H 0.0941 0.2340 0.3400 0.075 Uiso 1 1 calc R . .
C46 C 0.05410(13) 0.3893(6) 0.4214(3) 0.0433(16) Uani 1 1 d . . .
H46A H 0.0557 0.4810 0.4403 0.065 Uiso 1 1 calc R . .
H46B H 0.0586 0.3218 0.4575 0.065 Uiso 1 1 calc R . .
H46C H 0.0316 0.3750 0.3848 0.065 Uiso 1 1 calc R . .
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'
N N 0.0061 0.0033 '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'
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
N1 Ge1 N2 88.67(15) . . ?
N1 Ge1 Ge2 104.30(11) . . ?
N2 Ge1 Ge2 101.49(12) . . ?
C2 N1 C6 118.0(4) . . ?
C2 N1 Ge1 113.3(3) . . ?
C6 N1 Ge1 127.2(3) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C31 Ge2 N3 84.47(19) . . ?
C31 Ge2 Ge1 118.90(15) . . ?
N3 Ge2 Ge1 99.62(12) . . ?
C4 N2 C18 119.1(4) . . ?
C4 N2 Ge1 114.8(3) . . ?
C18 N2 Ge1 122.5(3) . . ?
N1 C2 C3 122.5(5) . . ?
N1 C2 C1 121.7(4) . . ?
C3 C2 C1 115.8(5) . . ?
C33 N3 C35 120.3(4) . . ?
C33 N3 Ge2 111.4(3) . . ?
C35 N3 Ge2 126.7(3) . . ?
C4 C3 C2 126.7(5) . . ?
C4 C3 H3 116.7 . . ?
C2 C3 H3 116.7 . . ?
N2 C4 C3 122.4(5) . . ?
N2 C4 C5 120.5(5) . . ?
C3 C4 C5 117.1(4) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C11 121.4(5) . . ?
C7 C6 N1 119.5(5) . . ?
C11 C6 N1 119.0(5) . . ?
C6 C7 C8 118.5(5) . . ?
C6 C7 C15 122.8(5) . . ?
C8 C7 C15 118.8(5) . . ?
C9 C8 C7 120.6(5) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C10 C9 C8 120.1(5) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 121.3(5) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C10 C11 C6 118.0(5) . . ?
C10 C11 C12 118.9(5) . . ?
C6 C11 C12 123.1(5) . . ?
C14 C12 C13 107.6(5) . . ?
C14 C12 C11 113.8(5) . . ?
C13 C12 C11 112.0(5) . . ?
C14 C12 H12 107.8 . . ?
C13 C12 H12 107.8 . . ?
C11 C12 H12 107.8 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17 C15 C7 112.0(5) . . ?
C17 C15 C16 111.0(5) . . ?
C7 C15 C16 110.8(5) . . ?
C17 C15 H15 107.6 . . ?
C7 C15 H15 107.6 . . ?
C16 C15 H15 107.6 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C23 120.9(5) . . ?
C19 C18 N2 119.4(5) . . ?
C23 C18 N2 119.6(4) . . ?
C20 C19 C18 117.8(5) . . ?
C20 C19 C24 119.8(5) . . ?
C18 C19 C24 122.4(5) . . ?
C21 C20 C19 122.1(5) . . ?
C21 C20 H20 118.9 . . ?
C19 C20 H20 118.9 . . ?
C20 C21 C22 119.4(5) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C21 C22 C23 121.4(5) . . ?
C21 C22 H22 119.3 . . ?
C23 C22 H22 119.3 . . ?
C22 C23 C18 118.3(5) . . ?
C22 C23 C27 118.6(5) . . ?
C18 C23 C27 123.0(4) . . ?
C19 C24 C25 113.5(5) . . ?
C19 C24 C26 111.2(5) . . ?
C25 C24 C26 110.2(5) . . ?
C19 C24 H24 107.2 . . ?
C25 C24 H24 107.2 . . ?
C26 C24 H24 107.2 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C27 C28 110.8(4) . . ?
C23 C27 C29 113.4(4) . . ?
C28 C27 C29 110.4(4) . . ?
C23 C27 H27 107.3 . . ?
C28 C27 H27 107.3 . . ?
C29 C27 H27 107.3 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C30 119.2(5) . . ?
C32 C31 Ge2 110.5(4) . . ?
C30 C31 Ge2 129.5(4) . . ?
C31 C32 C33 117.5(5) . . ?
C31 C32 H32 121.2 . . ?
C33 C32 H32 121.2 . . ?
N3 C33 C32 114.7(5) . . ?
N3 C33 C34 122.7(5) . . ?
C32 C33 C34 122.4(5) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C40 C35 C36 121.7(5) . . ?
C40 C35 N3 120.4(4) . . ?
C36 C35 N3 117.8(4) . . ?
C37 C36 C35 117.7(5) . . ?
C37 C36 C44 118.3(5) . . ?
C35 C36 C44 123.8(5) . . ?
C38 C37 C36 121.0(5) . . ?
C38 C37 H37 119.5 . . ?
C36 C37 H37 119.5 . . ?
C37 C38 C39 120.3(5) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 H38 119.9 . . ?
C38 C39 C40 121.7(5) . . ?
C38 C39 H39 119.2 . . ?
C40 C39 H39 119.2 . . ?
C39 C40 C35 117.6(5) . . ?
C39 C40 C41 120.5(5) . . ?
C35 C40 C41 121.9(5) . . ?
C43 C41 C40 111.8(4) . . ?
C43 C41 C42 110.3(5) . . ?
C40 C41 C42 110.5(4) . . ?
C43 C41 H41 108.0 . . ?
C40 C41 H41 108.0 . . ?
C42 C41 H41 108.0 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C36 110.9(4) . . ?
C45 C44 C46 113.0(5) . . ?
C36 C44 C46 110.5(5) . . ?
C45 C44 H44 107.4 . . ?
C36 C44 H44 107.4 . . ?
C46 C44 H44 107.4 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 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
Ge1 N1 2.015(4) . ?
Ge1 N2 2.038(4) . ?
Ge1 Ge2 2.5498(8) . ?
N1 C2 1.333(6) . ?
N1 C6 1.447(6) . ?
C1 C2 1.515(6) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
Ge2 C31 1.903(5) . ?
Ge2 N3 1.951(4) . ?
N2 C4 1.322(6) . ?
N2 C18 1.456(6) . ?
C2 C3 1.401(6) . ?
N3 C33 1.348(6) . ?
N3 C35 1.450(6) . ?
C3 C4 1.398(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.510(6) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.395(6) . ?
C6 C11 1.401(7) . ?
C7 C8 1.396(7) . ?
C7 C15 1.531(7) . ?
C8 C9 1.379(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.376(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.522(7) . ?
C12 C14 1.512(7) . ?
C12 C13 1.520(8) . ?
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 C17 1.513(7) . ?
C15 C16 1.540(7) . ?
C15 H15 1.0000 . ?
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 C19 1.400(6) . ?
C18 C23 1.405(6) . ?
C19 C20 1.390(7) . ?
C19 C24 1.499(7) . ?
C20 C21 1.371(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.373(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.390(6) . ?
C22 H22 0.9500 . ?
C23 C27 1.520(6) . ?
C24 C25 1.527(7) . ?
C24 C26 1.529(7) . ?
C24 H24 1.0000 . ?
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 C28 1.523(6) . ?
C27 C29 1.534(6) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.508(6) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.377(6) . ?
C32 C33 1.391(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.504(6) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C40 1.404(6) . ?
C35 C36 1.405(6) . ?
C36 C37 1.404(7) . ?
C36 C44 1.536(7) . ?
C37 C38 1.374(6) . ?
C37 H37 0.9500 . ?
C38 C39 1.374(6) . ?
C38 H38 0.9500 . ?
C39 C40 1.392(7) . ?
C39 H39 0.9500 . ?
C40 C41 1.525(7) . ?
C41 C43 1.513(7) . ?
C41 C42 1.526(6) . ?
C41 H41 1.0000 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.512(7) . ?
C44 C46 1.541(6) . ?
C44 H44 1.0000 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168350375
