#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:34:11 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179067 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/29/4302911.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_4302911
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
_chemical_name_systematic
; 
 ? 
;
_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                106.9280(10)
_cell_angle_beta                 94.2460(10)
_cell_angle_gamma                109.4780(10)
_cell_formula_units_Z            2
_cell_length_a                   10.7432(4)
_cell_length_b                   12.0091(5)
_cell_length_c                   14.5066(6)
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.7315
_cell_measurement_theta_min      2.2205
_cell_volume                     1657.36(12)
_computing_cell_refinement       'SAINT V7.60A'
_computing_data_collection       'APEX2 v2.2-0'
_computing_data_reduction        'SAINT V7.60A'
_computing_molecular_graphics    'XSHELL vers. 4.01'
_computing_publication_material  'XSHELL vers. 4.01'
_computing_structure_refinement  'SHELXL in SHELXTL Version 2008/4'
_computing_structure_solution    'SHELXS in SHELXTL Version 2008/4'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0209
_diffrn_reflns_av_sigmaI/netI    0.0129
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            40967
_diffrn_reflns_theta_full        26.74
_diffrn_reflns_theta_max         26.74
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.987
_exptl_absorpt_correction_T_max  0.4299
_exptl_absorpt_correction_T_min  0.4068
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS-2008/2
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.378
_refine_diff_density_min         -0.287
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         7047
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0258
_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)+(0.0335P)²+1.0524P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0677
_refine_ls_wR_factor_ref         0.0685
_reflns_number_gt                6685
_reflns_number_total             7047
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900341r_si_001_2.cif
_cod_data_source_block           p-1neu
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4302911
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 0.653313(14) 0.760902(13) 0.727652(10) 0.01478(5) Uani 1 1 d . . .
N1 N 0.72402(12) 0.94700(11) 0.79869(9) 0.0156(2) Uani 1 1 d . . .
N2 N 0.70162(12) 0.73236(11) 0.85216(9) 0.0147(2) Uani 1 1 d . . .
N3 N 0.93219(12) 0.80813(12) 0.72907(9) 0.0193(3) Uani 1 1 d . . .
N4 N 1.03138(14) 0.86028(14) 0.78474(11) 0.0299(3) Uani 1 1 d . . .
Si1 Si 0.79014(5) 0.66129(4) 0.54052(3) 0.02390(10) Uani 1 1 d . . .
C1 C 0.64115(14) 0.60037(13) 0.83878(10) 0.0156(3) Uani 1 1 d . . .
C2 C 0.50205(14) 0.54987(14) 0.83700(10) 0.0178(3) Uani 1 1 d . . .
C3 C 0.43894(15) 0.42028(14) 0.80925(11) 0.0223(3) Uani 1 1 d . . .
H3 H 0.3451 0.3846 0.8075 0.027 Uiso 1 1 calc R . .
C4 C 0.50996(16) 0.34252(14) 0.78429(12) 0.0240(3) Uani 1 1 d . . .
H4 H 0.4644 0.2541 0.7626 0.029 Uiso 1 1 calc R . .
C5 C 0.64752(16) 0.39370(14) 0.79096(11) 0.0217(3) Uani 1 1 d . . .
H5 H 0.6963 0.3398 0.7763 0.026 Uiso 1 1 calc R . .
C6 C 0.71603(14) 0.52299(13) 0.81877(10) 0.0173(3) Uani 1 1 d . . .
C7 C 0.69606(15) 1.01234(13) 0.73532(10) 0.0168(3) Uani 1 1 d . . .
C8 C 0.79907(15) 1.08025(13) 0.69585(11) 0.0185(3) Uani 1 1 d . . .
C9 C 0.76414(16) 1.13340(14) 0.62912(11) 0.0220(3) Uani 1 1 d . . .
H9 H 0.8324 1.1795 0.6017 0.026 Uiso 1 1 calc R . .
C10 C 0.63308(17) 1.12062(15) 0.60212(11) 0.0239(3) Uani 1 1 d . . .
H10 H 0.6116 1.1573 0.5564 0.029 Uiso 1 1 calc R . .
C11 C 0.53281(16) 1.05410(14) 0.64189(11) 0.0222(3) Uani 1 1 d . . .
H11 H 0.4427 1.0458 0.6231 0.027 Uiso 1 1 calc R . .
C12 C 0.56142(15) 0.99905(13) 0.70892(11) 0.0187(3) Uani 1 1 d . . .
C13 C 0.41984(15) 0.63112(15) 0.86793(12) 0.0218(3) Uani 1 1 d . . .
H13 H 0.4805 0.7209 0.8850 0.026 Uiso 1 1 calc R . .
C14 C 0.30414(17) 0.60220(17) 0.78573(14) 0.0303(4) Uani 1 1 d . . .
H14A H 0.3400 0.6135 0.7275 0.045 Uiso 1 1 calc R . .
H14B H 0.2565 0.6592 0.8075 0.045 Uiso 1 1 calc R . .
H14C H 0.2417 0.5153 0.7695 0.045 Uiso 1 1 calc R . .
C15 C 0.3654(2) 0.6137(2) 0.95926(14) 0.0360(4) Uani 1 1 d . . .
H15A H 0.3021 0.5272 0.9432 0.054 Uiso 1 1 calc R . .
H15B H 0.3190 0.6715 0.9820 0.054 Uiso 1 1 calc R . .
H15C H 0.4401 0.6313 1.0112 0.054 Uiso 1 1 calc R . .
C16 C 0.86833(14) 0.57395(14) 0.82930(11) 0.0193(3) Uani 1 1 d . . .
H16 H 0.9009 0.6674 0.8490 0.023 Uiso 1 1 calc R . .
C17 C 0.93307(16) 0.54004(15) 0.91000(12) 0.0250(3) Uani 1 1 d . . .
H17A H 0.9074 0.5749 0.9723 0.037 Uiso 1 1 calc R . .
H17B H 1.0311 0.5750 0.9172 0.037 Uiso 1 1 calc R . .
H17C H 0.9019 0.4486 0.8919 0.037 Uiso 1 1 calc R . .
C18 C 0.91306(16) 0.52385(16) 0.73318(12) 0.0258(3) Uani 1 1 d . . .
H18A H 0.8844 0.4325 0.7139 0.039 Uiso 1 1 calc R . .
H18B H 1.0112 0.5614 0.7424 0.039 Uiso 1 1 calc R . .
H18C H 0.8722 0.5456 0.6817 0.039 Uiso 1 1 calc R . .
C19 C 0.94621(15) 1.10016(14) 0.72327(11) 0.0207(3) Uani 1 1 d . . .
H19 H 0.9546 1.0608 0.7742 0.025 Uiso 1 1 calc R . .
C20 C 1.03394(16) 1.24049(15) 0.76625(13) 0.0274(3) Uani 1 1 d . . .
H20A H 1.0309 1.2796 0.7159 0.041 Uiso 1 1 calc R . .
H20B H 1.1269 1.2508 0.7879 0.041 Uiso 1 1 calc R . .
H20C H 0.9999 1.2806 0.8223 0.041 Uiso 1 1 calc R . .
C21 C 0.99918(18) 1.03940(16) 0.63474(13) 0.0295(4) Uani 1 1 d . . .
H21A H 0.9450 0.9494 0.6075 0.044 Uiso 1 1 calc R . .
H21B H 1.0931 1.0517 0.6555 0.044 Uiso 1 1 calc R . .
H21C H 0.9934 1.0782 0.5846 0.044 Uiso 1 1 calc R . .
C22 C 0.44879(15) 0.93062(15) 0.75348(12) 0.0227(3) Uani 1 1 d . . .
H22 H 0.4789 0.8721 0.7776 0.027 Uiso 1 1 calc R . .
C23 C 0.31897(19) 0.8512(2) 0.67842(17) 0.0461(5) Uani 1 1 d . . .
H23A H 0.2836 0.9060 0.6557 0.069 Uiso 1 1 calc R . .
H23B H 0.2526 0.8027 0.7088 0.069 Uiso 1 1 calc R . .
H23C H 0.3372 0.7938 0.6225 0.069 Uiso 1 1 calc R . .
C24 C 0.4249(3) 1.0210(2) 0.8416(2) 0.0616(8) Uani 1 1 d . . .
H24A H 0.5096 1.0703 0.8888 0.092 Uiso 1 1 calc R . .
H24B H 0.3588 0.9736 0.8728 0.092 Uiso 1 1 calc R . .
H24C H 0.3908 1.0773 0.8202 0.092 Uiso 1 1 calc R . .
C25 C 0.81479(14) 0.75123(13) 0.67102(10) 0.0166(3) Uani 1 1 d . . .
C26 C 0.78004(14) 1.00681(13) 0.89299(11) 0.0173(3) Uani 1 1 d . . .
C27 C 0.80107(14) 0.94665(14) 0.95847(10) 0.0186(3) Uani 1 1 d . . .
H27 H 0.8496 0.9994 1.0226 0.022 Uiso 1 1 calc R . .
C28 C 0.82081(18) 1.14703(14) 0.93564(12) 0.0261(3) Uani 1 1 d . . .
H28A H 0.9142 1.1881 0.9303 0.039 Uiso 1 1 calc R . .
H28B H 0.8127 1.1704 1.0049 0.039 Uiso 1 1 calc R . .
H28C H 0.7620 1.1738 0.8995 0.039 Uiso 1 1 calc R . .
C29 C 0.75887(14) 0.81804(14) 0.94031(10) 0.0166(3) Uani 1 1 d . . .
C30 C 0.77423(17) 0.77579(15) 1.02705(11) 0.0240(3) Uani 1 1 d . . .
H30A H 0.6851 0.7304 1.0378 0.036 Uiso 1 1 calc R . .
H30B H 0.8226 0.8491 1.0856 0.036 Uiso 1 1 calc R . .
H30C H 0.8250 0.7203 1.0143 0.036 Uiso 1 1 calc R . .
C31 C 0.7027(2) 0.7278(2) 0.46775(13) 0.0383(4) Uani 1 1 d . . .
H31A H 0.6200 0.7294 0.4914 0.057 Uiso 1 1 calc R . .
H31B H 0.6803 0.6757 0.3983 0.057 Uiso 1 1 calc R . .
H31C H 0.7618 0.8134 0.4752 0.057 Uiso 1 1 calc R . .
C32 C 0.95706(19) 0.67044(19) 0.50725(14) 0.0358(4) Uani 1 1 d . . .
H32A H 1.0144 0.7583 0.5207 0.054 Uiso 1 1 calc R . .
H32B H 0.9445 0.6236 0.4373 0.054 Uiso 1 1 calc R . .
H32C H 0.9999 0.6342 0.5462 0.054 Uiso 1 1 calc R . .
C33 C 0.67874(19) 0.49469(17) 0.51659(14) 0.0365(4) Uani 1 1 d . . .
H33A H 0.7330 0.4482 0.5307 0.055 Uiso 1 1 calc R . .
H33B H 0.6332 0.4565 0.4477 0.055 Uiso 1 1 calc R . .
H33C H 0.6115 0.4920 0.5589 0.055 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'
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
C25 Ge1 N2 97.88(5) . . ?
C25 Ge1 N1 98.14(5) . . ?
N2 Ge1 N1 90.34(5) . . ?
C26 N1 C7 121.70(12) . . ?
C26 N1 Ge1 127.12(10) . . ?
C7 N1 Ge1 110.99(9) . . ?
C29 N2 C1 121.79(12) . . ?
C29 N2 Ge1 127.69(10) . . ?
C1 N2 Ge1 109.52(8) . . ?
N4 N3 C25 175.74(15) . . ?
C25 Si1 C31 108.26(8) . . ?
C25 Si1 C32 109.19(8) . . ?
C31 Si1 C32 111.52(9) . . ?
C25 Si1 C33 109.44(8) . . ?
C31 Si1 C33 107.83(9) . . ?
C32 Si1 C33 110.54(9) . . ?
C6 C1 C2 121.07(13) . . ?
C6 C1 N2 120.90(12) . . ?
C2 C1 N2 117.74(12) . . ?
C3 C2 C1 118.22(14) . . ?
C3 C2 C13 118.96(13) . . ?
C1 C2 C13 122.77(13) . . ?
C4 C3 C2 121.31(14) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 H3 119.3 . . ?
C3 C4 C5 119.79(14) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C4 C5 C6 121.25(14) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C5 C6 C1 118.17(13) . . ?
C5 C6 C16 118.75(13) . . ?
C1 C6 C16 123.05(13) . . ?
C8 C7 C12 121.05(13) . . ?
C8 C7 N1 120.68(13) . . ?
C12 C7 N1 118.13(12) . . ?
C9 C8 C7 118.09(14) . . ?
C9 C8 C19 118.52(13) . . ?
C7 C8 C19 123.39(13) . . ?
C10 C9 C8 121.57(14) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C9 C10 C11 119.75(14) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C10 C11 C12 121.35(15) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 H11 119.3 . . ?
C11 C12 C7 118.19(14) . . ?
C11 C12 C22 119.56(14) . . ?
C7 C12 C22 122.22(13) . . ?
C2 C13 C15 109.95(13) . . ?
C2 C13 C14 112.07(13) . . ?
C15 C13 C14 110.07(14) . . ?
C2 C13 H13 108.2 . . ?
C15 C13 H13 108.2 . . ?
C14 C13 H13 108.2 . . ?
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 . . ?
C6 C16 C18 112.05(13) . . ?
C6 C16 C17 110.19(12) . . ?
C18 C16 C17 109.32(12) . . ?
C6 C16 H16 108.4 . . ?
C18 C16 H16 108.4 . . ?
C17 C16 H16 108.4 . . ?
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 . . ?
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 . . ?
C8 C19 C21 111.69(13) . . ?
C8 C19 C20 111.03(13) . . ?
C21 C19 C20 108.81(13) . . ?
C8 C19 H19 108.4 . . ?
C21 C19 H19 108.4 . . ?
C20 C19 H19 108.4 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 C12 111.35(14) . . ?
C24 C22 C23 111.17(18) . . ?
C12 C22 C23 112.51(14) . . ?
C24 C22 H22 107.2 . . ?
C12 C22 H22 107.2 . . ?
C23 C22 H22 107.2 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N3 C25 Si1 123.41(11) . . ?
N3 C25 Ge1 118.22(10) . . ?
Si1 C25 Ge1 118.37(7) . . ?
N1 C26 C27 123.73(13) . . ?
N1 C26 C28 120.09(13) . . ?
C27 C26 C28 116.15(13) . . ?
C29 C27 C26 127.28(13) . . ?
C29 C27 H27 116.4 . . ?
C26 C27 H27 116.4 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N2 C29 C27 123.57(13) . . ?
N2 C29 C30 119.16(13) . . ?
C27 C29 C30 117.21(13) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si1 C31 H31A 109.5 . . ?
Si1 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si1 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si1 C32 H32A 109.5 . . ?
Si1 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si1 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si1 C33 H33A 109.5 . . ?
Si1 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si1 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 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 C25 1.9969(14) . ?
Ge1 N2 1.9974(12) . ?
Ge1 N1 2.0111(12) . ?
N1 C26 1.3293(19) . ?
N1 C7 1.4448(18) . ?
N2 C29 1.3295(18) . ?
N2 C1 1.4448(18) . ?
N3 N4 1.1458(19) . ?
N3 C25 1.3037(19) . ?
Si1 C25 1.8345(15) . ?
Si1 C31 1.8657(19) . ?
Si1 C32 1.8677(19) . ?
Si1 C33 1.8689(19) . ?
C1 C6 1.404(2) . ?
C1 C2 1.408(2) . ?
C2 C3 1.391(2) . ?
C2 C13 1.520(2) . ?
C3 C4 1.380(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.382(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(2) . ?
C5 H5 0.9500 . ?
C6 C16 1.522(2) . ?
C7 C8 1.408(2) . ?
C7 C12 1.412(2) . ?
C8 C9 1.397(2) . ?
C8 C19 1.521(2) . ?
C9 C10 1.378(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.385(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.394(2) . ?
C11 H11 0.9500 . ?
C12 C22 1.523(2) . ?
C13 C15 1.529(2) . ?
C13 C14 1.529(2) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.530(2) . ?
C16 C17 1.538(2) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C21 1.531(2) . ?
C19 C20 1.536(2) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C24 1.518(3) . ?
C22 C23 1.524(2) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C26 C27 1.397(2) . ?
C26 C28 1.507(2) . ?
C27 C29 1.392(2) . ?
C27 H27 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.505(2) . ?
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 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 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
C25 Ge1 N1 C26 -96.84(12) . . . . ?
N2 Ge1 N1 C26 1.17(12) . . . . ?
C25 Ge1 N1 C7 88.28(10) . . . . ?
N2 Ge1 N1 C7 -173.71(9) . . . . ?
C25 Ge1 N2 C29 97.99(12) . . . . ?
N1 Ge1 N2 C29 -0.27(12) . . . . ?
C25 Ge1 N2 C1 -93.40(9) . . . . ?
N1 Ge1 N2 C1 168.33(9) . . . . ?
C29 N2 C1 C6 -91.81(17) . . . . ?
Ge1 N2 C1 C6 98.79(13) . . . . ?
C29 N2 C1 C2 94.23(16) . . . . ?
Ge1 N2 C1 C2 -75.18(13) . . . . ?
C6 C1 C2 C3 -3.7(2) . . . . ?
N2 C1 C2 C3 170.26(13) . . . . ?
C6 C1 C2 C13 173.80(13) . . . . ?
N2 C1 C2 C13 -12.2(2) . . . . ?
C1 C2 C3 C4 0.2(2) . . . . ?
C13 C2 C3 C4 -177.40(14) . . . . ?
C2 C3 C4 C5 2.9(2) . . . . ?
C3 C4 C5 C6 -2.6(2) . . . . ?
C4 C5 C6 C1 -0.8(2) . . . . ?
C4 C5 C6 C16 177.23(14) . . . . ?
C2 C1 C6 C5 4.0(2) . . . . ?
N2 C1 C6 C5 -169.79(13) . . . . ?
C2 C1 C6 C16 -173.94(13) . . . . ?
N2 C1 C6 C16 12.3(2) . . . . ?
C26 N1 C7 C8 79.49(18) . . . . ?
Ge1 N1 C7 C8 -105.31(13) . . . . ?
C26 N1 C7 C12 -104.75(16) . . . . ?
Ge1 N1 C7 C12 70.45(14) . . . . ?
C12 C7 C8 C9 -0.5(2) . . . . ?
N1 C7 C8 C9 175.15(13) . . . . ?
C12 C7 C8 C19 178.59(13) . . . . ?
N1 C7 C8 C19 -5.8(2) . . . . ?
C7 C8 C9 C10 0.1(2) . . . . ?
C19 C8 C9 C10 -179.05(14) . . . . ?
C8 C9 C10 C11 0.3(2) . . . . ?
C9 C10 C11 C12 -0.2(2) . . . . ?
C10 C11 C12 C7 -0.2(2) . . . . ?
C10 C11 C12 C22 177.89(14) . . . . ?
C8 C7 C12 C11 0.6(2) . . . . ?
N1 C7 C12 C11 -175.18(13) . . . . ?
C8 C7 C12 C22 -177.50(13) . . . . ?
N1 C7 C12 C22 6.8(2) . . . . ?
C3 C2 C13 C15 62.24(19) . . . . ?
C1 C2 C13 C15 -115.23(16) . . . . ?
C3 C2 C13 C14 -60.52(18) . . . . ?
C1 C2 C13 C14 122.00(16) . . . . ?
C5 C6 C16 C18 60.01(18) . . . . ?
C1 C6 C16 C18 -122.08(15) . . . . ?
C5 C6 C16 C17 -61.94(18) . . . . ?
C1 C6 C16 C17 115.97(15) . . . . ?
C9 C8 C19 C21 -63.95(18) . . . . ?
C7 C8 C19 C21 116.98(16) . . . . ?
C9 C8 C19 C20 57.70(18) . . . . ?
C7 C8 C19 C20 -121.37(15) . . . . ?
C11 C12 C22 C24 -84.2(2) . . . . ?
C7 C12 C22 C24 93.8(2) . . . . ?
C11 C12 C22 C23 41.3(2) . . . . ?
C7 C12 C22 C23 -140.61(16) . . . . ?
N4 N3 C25 Si1 -178(100) . . . . ?
N4 N3 C25 Ge1 2(2) . . . . ?
C31 Si1 C25 N3 -123.31(14) . . . . ?
C32 Si1 C25 N3 -1.72(16) . . . . ?
C33 Si1 C25 N3 119.41(14) . . . . ?
C31 Si1 C25 Ge1 57.45(11) . . . . ?
C32 Si1 C25 Ge1 179.04(9) . . . . ?
C33 Si1 C25 Ge1 -59.83(11) . . . . ?
N2 Ge1 C25 N3 -43.10(12) . . . . ?
N1 Ge1 C25 N3 48.38(12) . . . . ?
N2 Ge1 C25 Si1 136.18(8) . . . . ?
N1 Ge1 C25 Si1 -132.34(8) . . . . ?
C7 N1 C26 C27 175.75(13) . . . . ?
Ge1 N1 C26 C27 1.4(2) . . . . ?
C7 N1 C26 C28 -2.2(2) . . . . ?
Ge1 N1 C26 C28 -176.62(11) . . . . ?
N1 C26 C27 C29 -5.8(2) . . . . ?
C28 C26 C27 C29 172.28(14) . . . . ?
C1 N2 C29 C27 -170.56(13) . . . . ?
Ge1 N2 C29 C27 -3.2(2) . . . . ?
C1 N2 C29 C30 6.6(2) . . . . ?
Ge1 N2 C29 C30 173.90(10) . . . . ?
C26 C27 C29 N2 6.8(2) . . . . ?
C26 C27 C29 C30 -170.41(14) . . . . ?
