#------------------------------------------------------------------------------
#$Date: 2025-08-20 21:19:29 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301836 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/29/4302912.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_4302912
loop_
_publ_author_name
'Anukul Jana'
'Ina Objartel'
'Herbert W. Roesky'
'Dietmar Stalke'
_publ_contact_author             'Prof. Dr. H. W. Roesky'
_publ_contact_author_email
'hroesky@gwdg.de, dstalke@chemie.uni-goettingen.de'
_publ_section_title
;
Dehydrogenation of LGeH by a Lewis N-Heterocyclic Carbene Borane Pair under
the Formation of L'Ge and its Reactions with B(C6F5)3 and Trimethylsilyl
Diazomethane: An Unprecedented Rearrangement of a Diazocompound to an
Isonitrile
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7645
_journal_page_last               7649
_journal_paper_doi               10.1021/ic900341r
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C33 H50 Ge N4 Si'
_chemical_formula_weight         603.45
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.113(3)
_cell_angle_beta                 94.231(4)
_cell_angle_gamma                109.254(3)
_cell_formula_units_Z            2
_cell_length_a                   10.778(3)
_cell_length_b                   12.040(4)
_cell_length_c                   14.445(4)
_cell_measurement_reflns_used    9990
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.785
_cell_measurement_theta_min      2.2175
_cell_volume                     1660.7(9)
_computing_cell_refinement       'SAINT V7.46A'
_computing_data_collection       'APEX2 v2.2-0'
_computing_data_reduction        'SAINT V7.46A'
_computing_molecular_graphics    'XSHELL vers 4.10'
_computing_publication_material  'XSHELL vers 4.10'
_computing_structure_refinement  'SHELXL in SHELXTL Ver. 6.10'
_computing_structure_solution    'SHELXS in SHELXTL Ver. 6.10'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker TXS-Mo rotating anode'
_diffrn_measurement_method       'Omega scans'
_diffrn_radiation_monochromator  'INCOATEC Helios Mirror Optics'
_diffrn_radiation_source         'Bruker TXS-Mo rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0577
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            24779
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    0.985
_exptl_absorpt_correction_T_max  0.95008
_exptl_absorpt_correction_T_min  0.76466
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS-2008/2
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.207
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.900
_refine_diff_density_min         -0.221
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         6039
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0311
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0242P)²+0.9117P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                5650
_reflns_number_total             6039
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900341r_si_001_3.cif
_cod_data_source_block           p-1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1660.7(8)
_cod_database_code               4302912
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.846816(18) 0.237791(17) 0.273639(13) 0.01701(8) Uani 1 1 d . . .
Si2 Si 0.71153(6) 0.33509(6) 0.45574(4) 0.02577(14) Uani 1 1 d . . .
C4 C 0.74162(18) 0.18234(18) 0.06063(14) 0.0192(4) Uani 1 1 d . . .
C2 C 0.71933(18) -0.00596(17) 0.10797(14) 0.0192(4) Uani 1 1 d . . .
C12 C 0.93570(19) -0.00061(17) 0.29263(14) 0.0209(4) Uani 1 1 d . . .
C19 C 0.86042(19) 0.39939(17) 0.16302(14) 0.0187(4) Uani 1 1 d . . .
C21 C 0.8539(2) 0.60572(19) 0.20886(15) 0.0249(4) Uani 1 1 d . . .
H21 H 0.8053 0.6598 0.2225 0.030 Uiso 1 1 calc R . .
C8 C 0.6984(2) -0.08194(17) 0.30480(14) 0.0209(4) Uani 1 1 d . . .
C11 C 0.9635(2) -0.05677(18) 0.35925(15) 0.0246(4) Uani 1 1 d . . .
H11 H 1.0531 -0.0491 0.3781 0.029 Uiso 1 1 calc R . .
C28 C 0.63384(19) 0.42703(18) 0.17033(15) 0.0226(4) Uani 1 1 d . . .
H28 H 0.6012 0.3338 0.1498 0.027 Uiso 1 1 calc R . .
C3 C 0.69955(19) 0.05420(18) 0.04224(14) 0.0214(4) Uani 1 1 d . . .
H3 H 0.6520 0.0017 -0.0224 0.026 Uiso 1 1 calc R . .
C24 C 0.99894(19) 0.44869(18) 0.16517(14) 0.0204(4) Uani 1 1 d . . .
C20 C 0.78573(19) 0.47744(18) 0.18186(14) 0.0206(4) Uani 1 1 d . . .
C1 C 0.4678(2) 0.1419(2) 0.21512(16) 0.0295(5) Uani 1 1 d . . .
C7 C 0.80153(19) -0.01340(17) 0.26597(14) 0.0190(4) Uani 1 1 d . . .
C22 C 0.9911(2) 0.65615(19) 0.21626(16) 0.0272(4) Uani 1 1 d . . .
H22 H 1.0366 0.7443 0.2378 0.033 Uiso 1 1 calc R . .
C23 C 1.0619(2) 0.57796(19) 0.19222(15) 0.0253(4) Uani 1 1 d . . .
H23 H 1.1554 0.6130 0.1942 0.030 Uiso 1 1 calc R . .
C29 C 0.5886(2) 0.4765(2) 0.26723(16) 0.0297(5) Uani 1 1 d . . .
H29A H 0.6281 0.4532 0.3184 0.045 Uiso 1 1 calc R . .
H29B H 0.4908 0.4401 0.2575 0.045 Uiso 1 1 calc R . .
H29C H 0.6181 0.5678 0.2877 0.045 Uiso 1 1 calc R . .
C6 C 0.7267(2) 0.2252(2) -0.02611(15) 0.0270(4) Uani 1 1 d . . .
H6A H 0.6746 0.2794 -0.0135 0.041 Uiso 1 1 calc R . .
H6B H 0.6802 0.1523 -0.0855 0.041 Uiso 1 1 calc R . .
H6C H 0.8154 0.2717 -0.0358 0.041 Uiso 1 1 calc R . .
C9 C 0.7330(2) -0.13559(18) 0.37127(15) 0.0251(4) Uani 1 1 d . . .
H9 H 0.6648 -0.1816 0.3984 0.030 Uiso 1 1 calc R . .
C10 C 0.8631(2) -0.12369(19) 0.39866(15) 0.0266(4) Uani 1 1 d . . .
H10 H 0.8841 -0.1609 0.4442 0.032 Uiso 1 1 calc R . .
C16 C 1.0486(2) 0.06765(19) 0.24860(15) 0.0236(4) Uani 1 1 d . . .
H16 H 1.0182 0.1248 0.2228 0.028 Uiso 1 1 calc R . .
C5 C 0.6784(2) -0.14603(18) 0.06477(15) 0.0279(5) Uani 1 1 d . . .
H5A H 0.7403 -0.1724 0.0981 0.042 Uiso 1 1 calc R . .
H5B H 0.6810 -0.1700 -0.0058 0.042 Uiso 1 1 calc R . .
H5C H 0.5874 -0.1866 0.0740 0.042 Uiso 1 1 calc R . .
C25 C 1.0807(2) 0.3671(2) 0.13484(16) 0.0257(4) Uani 1 1 d . . .
H25 H 1.0203 0.2778 0.1184 0.031 Uiso 1 1 calc R . .
C26 C 1.1964(2) 0.3968(2) 0.21741(19) 0.0358(5) Uani 1 1 d . . .
H26A H 1.2578 0.4834 0.2335 0.054 Uiso 1 1 calc R . .
H26B H 1.2444 0.3402 0.1956 0.054 Uiso 1 1 calc R . .
H26C H 1.1610 0.3856 0.2760 0.054 Uiso 1 1 calc R . .
C30 C 0.5702(2) 0.4622(2) 0.08993(16) 0.0284(5) Uani 1 1 d . . .
H30A H 0.6007 0.5534 0.1092 0.043 Uiso 1 1 calc R . .
H30B H 0.4725 0.4270 0.0819 0.043 Uiso 1 1 calc R . .
H30C H 0.5969 0.4286 0.0275 0.043 Uiso 1 1 calc R . .
C18 C 1.1755(2) 0.1482(3) 0.3251(2) 0.0445(6) Uani 1 1 d . . .
H18A H 1.1551 0.2050 0.3805 0.067 Uiso 1 1 calc R . .
H18B H 1.2418 0.1971 0.2952 0.067 Uiso 1 1 calc R . .
H18C H 1.2115 0.0947 0.3488 0.067 Uiso 1 1 calc R . .
C27 C 1.1345(3) 0.3826(3) 0.04226(18) 0.0411(6) Uani 1 1 d . . .
H27A H 1.0598 0.3631 -0.0103 0.062 Uiso 1 1 calc R . .
H27B H 1.1821 0.3257 0.0205 0.062 Uiso 1 1 calc R . .
H27C H 1.1961 0.4691 0.0574 0.062 Uiso 1 1 calc R . .
C17 C 1.0761(3) -0.0229(2) 0.1616(2) 0.0602(9) Uani 1 1 d . . .
H17A H 1.1091 -0.0787 0.1846 0.090 Uiso 1 1 calc R . .
H17B H 1.1437 0.0243 0.1315 0.090 Uiso 1 1 calc R . .
H17C H 0.9933 -0.0725 0.1127 0.090 Uiso 1 1 calc R . .
C13 C 0.5520(2) -0.10124(18) 0.27674(15) 0.0234(4) Uani 1 1 d . . .
H13 H 0.5438 -0.0628 0.2251 0.028 Uiso 1 1 calc R . .
C32 C 0.5434(2) 0.3239(2) 0.48534(17) 0.0348(5) Uani 1 1 d . . .
H32A H 0.5025 0.3616 0.4465 0.052 Uiso 1 1 calc R . .
H32B H 0.5528 0.3684 0.5558 0.052 Uiso 1 1 calc R . .
H32C H 0.4864 0.2358 0.4693 0.052 Uiso 1 1 calc R . .
C33 C 0.8211(2) 0.5015(2) 0.48081(18) 0.0386(5) Uani 1 1 d . . .
H33A H 0.8873 0.5049 0.4376 0.058 Uiso 1 1 calc R . .
H33B H 0.8673 0.5388 0.5499 0.058 Uiso 1 1 calc R . .
H33C H 0.7663 0.5480 0.4681 0.058 Uiso 1 1 calc R . .
C14 C 0.4997(2) -0.0389(2) 0.36568(17) 0.0322(5) Uani 1 1 d . . .
H14A H 0.5072 -0.0756 0.4171 0.048 Uiso 1 1 calc R . .
H14B H 0.4058 -0.0522 0.3452 0.048 Uiso 1 1 calc R . .
H14C H 0.5529 0.0510 0.3917 0.048 Uiso 1 1 calc R . .
C15 C 0.4642(2) -0.2413(2) 0.23444(17) 0.0303(5) Uani 1 1 d . . .
H15A H 0.4981 -0.2825 0.1784 0.045 Uiso 1 1 calc R . .
H15B H 0.3718 -0.2514 0.2123 0.045 Uiso 1 1 calc R . .
H15C H 0.4669 -0.2793 0.2856 0.045 Uiso 1 1 calc R . .
C31 C 0.7972(3) 0.2680(3) 0.52909(17) 0.0406(6) Uani 1 1 d . . .
H31A H 0.7392 0.1819 0.5194 0.061 Uiso 1 1 calc R . .
H31B H 0.8162 0.3183 0.5992 0.061 Uiso 1 1 calc R . .
H31C H 0.8813 0.2686 0.5072 0.061 Uiso 1 1 calc R . .
N2 N 0.79940(15) 0.26746(14) 0.14990(11) 0.0171(3) Uani 1 1 d . . .
N3 N 0.69019(16) 0.24891(15) 0.32926(12) 0.0205(3) Uani 1 1 d . . .
N1 N 0.77430(15) 0.05309(14) 0.20303(11) 0.0173(3) Uani 1 1 d . . .
N4 N 0.56777(16) 0.19249(15) 0.27085(12) 0.0214(3) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Si Si 0.0817 0.0704 '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
N3 Ge1 N2 97.58(7) . . ?
N3 Ge1 N1 97.61(6) . . ?
N2 Ge1 N1 90.84(7) . . ?
N3 Si2 C32 108.27(10) . . ?
N3 Si2 C31 108.06(10) . . ?
C32 Si2 C31 111.93(11) . . ?
N3 Si2 C33 109.49(10) . . ?
C32 Si2 C33 110.74(11) . . ?
C31 Si2 C33 108.30(12) . . ?
N2 C4 C3 123.11(17) . . ?
N2 C4 C6 119.29(17) . . ?
C3 C4 C6 117.52(17) . . ?
N1 C2 C3 123.98(17) . . ?
N1 C2 C5 119.89(17) . . ?
C3 C2 C5 116.11(17) . . ?
C11 C12 C7 118.09(17) . . ?
C11 C12 C16 119.40(18) . . ?
C7 C12 C16 122.47(17) . . ?
C24 C19 C20 121.13(17) . . ?
C24 C19 N2 117.71(16) . . ?
C20 C19 N2 120.92(16) . . ?
C22 C21 C20 121.30(18) . . ?
C22 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C9 C8 C7 118.01(18) . . ?
C9 C8 C13 118.78(17) . . ?
C7 C8 C13 123.20(17) . . ?
C10 C11 C12 121.46(19) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 H11 119.3 . . ?
C20 C28 C29 111.84(17) . . ?
C20 C28 C30 110.36(16) . . ?
C29 C28 C30 109.29(16) . . ?
C20 C28 H28 108.4 . . ?
C29 C28 H28 108.4 . . ?
C30 C28 H28 108.4 . . ?
C4 C3 C2 127.38(18) . . ?
C4 C3 H3 116.3 . . ?
C2 C3 H3 116.3 . . ?
C23 C24 C19 118.07(17) . . ?
C23 C24 C25 118.96(17) . . ?
C19 C24 C25 122.90(17) . . ?
C21 C20 C19 118.19(18) . . ?
C21 C20 C28 118.88(17) . . ?
C19 C20 C28 122.89(17) . . ?
C8 C7 C12 121.05(17) . . ?
C8 C7 N1 120.79(17) . . ?
C12 C7 N1 118.03(16) . . ?
C23 C22 C21 119.78(19) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 121.35(19) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C10 C9 C8 121.88(18) . . ?
C10 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
C9 C10 C11 119.50(19) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C18 C16 C17 111.0(2) . . ?
C18 C16 C12 112.33(18) . . ?
C17 C16 C12 111.44(17) . . ?
C18 C16 H16 107.3 . . ?
C17 C16 H16 107.3 . . ?
C12 C16 H16 107.3 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C24 C25 C26 112.20(18) . . ?
C24 C25 C27 109.82(17) . . ?
C26 C25 C27 110.01(18) . . ?
C24 C25 H25 108.2 . . ?
C26 C25 H25 108.2 . . ?
C27 C25 H25 108.2 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C8 C13 C14 111.40(17) . . ?
C8 C13 C15 111.02(16) . . ?
C14 C13 C15 108.80(17) . . ?
C8 C13 H13 108.5 . . ?
C14 C13 H13 108.5 . . ?
C15 C13 H13 108.5 . . ?
Si2 C32 H32A 109.5 . . ?
Si2 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si2 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si2 C33 H33A 109.5 . . ?
Si2 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si2 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C31 H31A 109.5 . . ?
Si2 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si2 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C4 N2 C19 121.13(15) . . ?
C4 N2 Ge1 127.74(13) . . ?
C19 N2 Ge1 110.13(12) . . ?
N4 N3 Si2 121.04(12) . . ?
N4 N3 Ge1 119.76(12) . . ?
Si2 N3 Ge1 119.19(9) . . ?
C2 N1 C7 121.43(15) . . ?
C2 N1 Ge1 126.74(13) . . ?
C7 N1 Ge1 111.50(12) . . ?
C1 N4 N3 174.91(19) . . ?
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 N3 1.9491(16) . ?
Ge1 N2 1.9862(16) . ?
Ge1 N1 1.9994(16) . ?
Si2 N3 1.7699(17) . ?
Si2 C32 1.864(2) . ?
Si2 C31 1.865(2) . ?
Si2 C33 1.868(3) . ?
C4 N2 1.336(2) . ?
C4 C3 1.391(3) . ?
C4 C6 1.506(3) . ?
C2 N1 1.330(3) . ?
C2 C3 1.396(3) . ?
C2 C5 1.509(3) . ?
C12 C11 1.395(3) . ?
C12 C7 1.414(3) . ?
C12 C16 1.524(3) . ?
C19 C24 1.407(3) . ?
C19 C20 1.409(3) . ?
C19 N2 1.452(2) . ?
C21 C22 1.384(3) . ?
C21 C20 1.390(3) . ?
C21 H21 0.9500 . ?
C8 C9 1.396(3) . ?
C8 C7 1.411(3) . ?
C8 C13 1.522(3) . ?
C11 C10 1.389(3) . ?
C11 H11 0.9500 . ?
C28 C20 1.524(3) . ?
C28 C29 1.534(3) . ?
C28 C30 1.537(3) . ?
C28 H28 1.0000 . ?
C3 H3 0.9500 . ?
C24 C23 1.394(3) . ?
C24 C25 1.519(3) . ?
C1 N4 1.154(3) . ?
C7 N1 1.448(2) . ?
C22 C23 1.382(3) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C9 C10 1.377(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C16 C18 1.517(3) . ?
C16 C17 1.522(3) . ?
C16 H16 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C25 C26 1.530(3) . ?
C25 C27 1.533(3) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C13 C14 1.533(3) . ?
C13 C15 1.539(3) . ?
C13 H13 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
N3 N4 1.350(2) . ?
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
C7 C12 C11 C10 0.1(3) . . . . ?
C16 C12 C11 C10 -177.74(18) . . . . ?
N2 C4 C3 C2 -5.9(3) . . . . ?
C6 C4 C3 C2 171.00(18) . . . . ?
N1 C2 C3 C4 5.6(3) . . . . ?
C5 C2 C3 C4 -172.47(18) . . . . ?
C20 C19 C24 C23 3.7(3) . . . . ?
N2 C19 C24 C23 -170.64(17) . . . . ?
C20 C19 C24 C25 -173.33(18) . . . . ?
N2 C19 C24 C25 12.3(3) . . . . ?
C22 C21 C20 C19 0.6(3) . . . . ?
C22 C21 C20 C28 -177.20(18) . . . . ?
C24 C19 C20 C21 -4.0(3) . . . . ?
N2 C19 C20 C21 170.17(17) . . . . ?
C24 C19 C20 C28 173.72(18) . . . . ?
N2 C19 C20 C28 -12.1(3) . . . . ?
C29 C28 C20 C21 -61.4(2) . . . . ?
C30 C28 C20 C21 60.5(2) . . . . ?
C29 C28 C20 C19 120.8(2) . . . . ?
C30 C28 C20 C19 -117.3(2) . . . . ?
C9 C8 C7 C12 0.7(3) . . . . ?
C13 C8 C7 C12 -178.50(17) . . . . ?
C9 C8 C7 N1 -174.94(17) . . . . ?
C13 C8 C7 N1 5.8(3) . . . . ?
C11 C12 C7 C8 -0.6(3) . . . . ?
C16 C12 C7 C8 177.14(17) . . . . ?
C11 C12 C7 N1 175.20(16) . . . . ?
C16 C12 C7 N1 -7.1(3) . . . . ?
C20 C21 C22 C23 2.9(3) . . . . ?
C21 C22 C23 C24 -3.3(3) . . . . ?
C19 C24 C23 C22 -0.1(3) . . . . ?
C25 C24 C23 C22 177.12(19) . . . . ?
C7 C8 C9 C10 -0.4(3) . . . . ?
C13 C8 C9 C10 178.90(18) . . . . ?
C8 C9 C10 C11 -0.1(3) . . . . ?
C12 C11 C10 C9 0.3(3) . . . . ?
C11 C12 C16 C18 -43.2(3) . . . . ?
C7 C12 C16 C18 139.1(2) . . . . ?
C11 C12 C16 C17 82.1(3) . . . . ?
C7 C12 C16 C17 -95.6(3) . . . . ?
C23 C24 C25 C26 60.3(2) . . . . ?
C19 C24 C25 C26 -122.7(2) . . . . ?
C23 C24 C25 C27 -62.4(3) . . . . ?
C19 C24 C25 C27 114.7(2) . . . . ?
C9 C8 C13 C14 65.0(2) . . . . ?
C7 C8 C13 C14 -115.8(2) . . . . ?
C9 C8 C13 C15 -56.5(2) . . . . ?
C7 C8 C13 C15 122.8(2) . . . . ?
C3 C4 N2 C19 170.26(16) . . . . ?
C6 C4 N2 C19 -6.5(3) . . . . ?
C3 C4 N2 Ge1 2.9(3) . . . . ?
C6 C4 N2 Ge1 -173.89(13) . . . . ?
C24 C19 N2 C4 -94.9(2) . . . . ?
C20 C19 N2 C4 90.7(2) . . . . ?
C24 C19 N2 Ge1 74.46(18) . . . . ?
C20 C19 N2 Ge1 -99.93(17) . . . . ?
N3 Ge1 N2 C4 -98.03(15) . . . . ?
N1 Ge1 N2 C4 -0.24(15) . . . . ?
N3 Ge1 N2 C19 93.49(12) . . . . ?
N1 Ge1 N2 C19 -168.72(12) . . . . ?
C32 Si2 N3 N4 2.17(18) . . . . ?
C31 Si2 N3 N4 123.58(16) . . . . ?
C33 Si2 N3 N4 -118.66(16) . . . . ?
C32 Si2 N3 Ge1 -178.72(10) . . . . ?
C31 Si2 N3 Ge1 -57.30(13) . . . . ?
C33 Si2 N3 Ge1 60.46(13) . . . . ?
N2 Ge1 N3 N4 43.19(14) . . . . ?
N1 Ge1 N3 N4 -48.68(14) . . . . ?
N2 Ge1 N3 Si2 -135.93(10) . . . . ?
N1 Ge1 N3 Si2 132.19(10) . . . . ?
C3 C2 N1 C7 -175.25(16) . . . . ?
C5 C2 N1 C7 2.7(3) . . . . ?
C3 C2 N1 Ge1 -2.3(3) . . . . ?
C5 C2 N1 Ge1 175.65(13) . . . . ?
C8 C7 N1 C2 -79.5(2) . . . . ?
C12 C7 N1 C2 104.7(2) . . . . ?
C8 C7 N1 Ge1 106.56(17) . . . . ?
C12 C7 N1 Ge1 -69.24(18) . . . . ?
N3 Ge1 N1 C2 97.71(15) . . . . ?
N2 Ge1 N1 C2 -0.05(15) . . . . ?
N3 Ge1 N1 C7 -88.78(12) . . . . ?
N2 Ge1 N1 C7 173.46(12) . . . . ?
Si2 N3 N4 C1 175(2) . . . . ?
Ge1 N3 N4 C1 -4(2) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139126943
