#------------------------------------------------------------------------------
#$Date: 2020-09-06 12:45:38 +0300 (Sun, 06 Sep 2020) $
#$Revision: 256115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/48/7704829.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_7704829
loop_
_publ_author_name
'Helmer, Joschua'
'Hepp, Alexander'
'Lips, Felicitas'
_publ_section_title
;
 An unsaturated amido-substituted six-vertex germanium cluster and its
 reactions with alkenes and alkynes.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11843
_journal_page_last               11850
_journal_paper_doi               10.1039/d0dt01984d
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C60 H104 Ge6 N4 Si4'
_chemical_formula_weight         1429.37
_space_group_crystal_system      tetragonal
_space_group_IT_number           114
_space_group_name_Hall           'P -4 2n'
_space_group_name_H-M_alt        'P -4 21 c'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-06-01 deposited with the CCDC.	2020-07-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.4377(7)
_cell_length_b                   16.4377(7)
_cell_length_c                   27.2437(12)
_cell_measurement_reflns_used    9820
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.09
_cell_measurement_theta_min      2.30
_cell_volume                     7361.2(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_av_unetI/netI     0.0273
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            82973
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.111
_diffrn_reflns_theta_min         2.303
_exptl_absorpt_coefficient_mu    2.519
_exptl_absorpt_correction_T_max  0.7113
_exptl_absorpt_correction_T_min  0.5541
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_description       rod
_exptl_crystal_F_000             2960
_exptl_crystal_size_max          0.176
_exptl_crystal_size_mid          0.099
_exptl_crystal_size_min          0.096
_refine_diff_density_max         0.860
_refine_diff_density_min         -0.732
_refine_diff_density_rms         0.089
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.053(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.193
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         8118
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.193
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0352P)²+10.7659P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0874
_refine_ls_wR_factor_ref         0.0906
_reflns_Friedel_coverage         0.832
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                7544
_reflns_number_total             8118
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01984d2.cif
_cod_data_source_block           fl190215sq
_cod_depositor_comments
'Adding full bibliography for 7704828--7704832.cif.'
_cod_original_cell_volume        7361.2(7)
_cod_database_code               7704829
_shelx_shelxl_version_number     2014/7
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'y, -x, -z'
'-y, x, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, z'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.07431(3) 0.59902(3) 0.65307(2) 0.02145(12) Uani 1 1 d . . . . .
Ge2 Ge 0.05759(3) 0.44031(4) 0.68740(2) 0.02346(12) Uani 1 1 d . . . . .
Ge3 Ge 0.07550(3) 0.48043(3) 0.59709(2) 0.02010(12) Uani 1 1 d . . . . .
Si4 Si 0.23242(10) 0.70459(10) 0.67668(6) 0.0283(3) Uani 1 1 d . . . . .
Si5 Si 0.19285(9) 0.49672(9) 0.50441(5) 0.0227(3) Uani 1 1 d . . . . .
N1 N 0.1401(3) 0.6605(3) 0.69459(16) 0.0222(9) Uani 1 1 d . . . . .
N2 N 0.1524(3) 0.4406(3) 0.55328(15) 0.0231(9) Uani 1 1 d . . . . .
C1 C 0.0999(3) 0.6816(3) 0.74005(19) 0.0241(11) Uani 1 1 d . . . . .
C2 C 0.0477(3) 0.7489(4) 0.7422(2) 0.0301(12) Uani 1 1 d . . . . .
C3 C 0.0074(4) 0.7658(4) 0.7853(2) 0.0392(15) Uani 1 1 d . . . . .
H3 H -0.0277 0.8117 0.7867 0.047 Uiso 1 1 calc R U . . .
C4 C 0.0168(4) 0.7176(5) 0.8267(2) 0.0462(18) Uani 1 1 d . . . . .
H4 H -0.0110 0.7304 0.8563 0.055 Uiso 1 1 calc R U . . .
C5 C 0.0675(4) 0.6508(4) 0.8240(2) 0.0395(15) Uani 1 1 d . . . . .
H5 H 0.0735 0.6172 0.8522 0.047 Uiso 1 1 calc R U . . .
C6 C 0.1101(4) 0.6308(4) 0.7814(2) 0.0289(12) Uani 1 1 d . . . . .
C7 C 0.0337(4) 0.8048(4) 0.6980(2) 0.0373(14) Uani 1 1 d . . . . .
H7 H 0.0685 0.7849 0.6704 0.045 Uiso 1 1 calc R U . . .
C8 C -0.0546(4) 0.8026(5) 0.6809(3) 0.0513(18) Uani 1 1 d . . . . .
H8A H -0.0614 0.8390 0.6527 0.077 Uiso 1 1 calc R U . . .
H8B H -0.0690 0.7470 0.6713 0.077 Uiso 1 1 calc R U . . .
H8C H -0.0902 0.8204 0.7076 0.077 Uiso 1 1 calc R U . . .
C9 C 0.0588(6) 0.8929(4) 0.7095(4) 0.070(3) Uani 1 1 d . . . . .
H9A H 0.1155 0.8939 0.7205 0.105 Uiso 1 1 calc R U . . .
H9B H 0.0531 0.9262 0.6799 0.105 Uiso 1 1 calc R U . . .
H9C H 0.0237 0.9147 0.7355 0.105 Uiso 1 1 calc R U . . .
C10 C 0.1653(4) 0.5573(4) 0.7817(2) 0.0350(13) Uani 1 1 d . . . . .
H10 H 0.1719 0.5392 0.7469 0.042 Uiso 1 1 calc R U . . .
C11 C 0.1307(6) 0.4850(4) 0.8107(3) 0.056(2) Uani 1 1 d . . . . .
H11A H 0.1693 0.4396 0.8094 0.084 Uiso 1 1 calc R U . . .
H11B H 0.1221 0.5012 0.8449 0.084 Uiso 1 1 calc R U . . .
H11C H 0.0788 0.4682 0.7961 0.084 Uiso 1 1 calc R U . . .
C12 C 0.2501(5) 0.5781(5) 0.8014(3) 0.054(2) Uani 1 1 d . . . . .
H12A H 0.2841 0.5291 0.8010 0.081 Uiso 1 1 calc R U . . .
H12B H 0.2749 0.6199 0.7806 0.081 Uiso 1 1 calc R U . . .
H12C H 0.2455 0.5985 0.8350 0.081 Uiso 1 1 calc R U . . .
C13 C 0.2689(4) 0.7735(4) 0.7265(3) 0.0428(16) Uani 1 1 d . . . . .
H13A H 0.3206 0.7984 0.7167 0.064 Uiso 1 1 calc R U . . .
H13B H 0.2284 0.8162 0.7323 0.064 Uiso 1 1 calc R U . . .
H13C H 0.2768 0.7421 0.7567 0.064 Uiso 1 1 calc R U . . .
C14 C 0.2190(5) 0.7654(4) 0.6193(3) 0.0456(17) Uani 1 1 d . . . . .
H14A H 0.2712 0.7895 0.6098 0.068 Uiso 1 1 calc R U . . .
H14B H 0.1997 0.7298 0.5929 0.068 Uiso 1 1 calc R U . . .
H14C H 0.1792 0.8087 0.6250 0.068 Uiso 1 1 calc R U . . .
C15 C 0.3075(4) 0.6231(4) 0.6645(2) 0.0359(14) Uani 1 1 d . . . . .
H15A H 0.3593 0.6474 0.6544 0.054 Uiso 1 1 calc R U . . .
H15B H 0.3157 0.5909 0.6944 0.054 Uiso 1 1 calc R U . . .
H15C H 0.2872 0.5877 0.6382 0.054 Uiso 1 1 calc R U . . .
C16 C 0.1762(3) 0.3572(3) 0.5611(2) 0.0251(11) Uani 1 1 d . . . . .
C17 C 0.2472(3) 0.3390(3) 0.5881(2) 0.0273(11) Uani 1 1 d . . . . .
C18 C 0.2707(4) 0.2578(4) 0.5927(2) 0.0346(13) Uani 1 1 d . . . . .
H18 H 0.3177 0.2446 0.6113 0.042 Uiso 1 1 calc R U . . .
C19 C 0.2265(4) 0.1962(4) 0.5705(3) 0.0402(15) Uani 1 1 d . . . . .
H19 H 0.2443 0.1414 0.5731 0.048 Uiso 1 1 calc R U . . .
C20 C 0.1571(4) 0.2143(4) 0.5447(2) 0.0359(13) Uani 1 1 d . . . . .
H20 H 0.1272 0.1715 0.5299 0.043 Uiso 1 1 calc R U . . .
C21 C 0.1298(4) 0.2935(3) 0.5399(2) 0.0299(12) Uani 1 1 d . . . . .
C22 C 0.2963(4) 0.4041(4) 0.6138(2) 0.0298(12) Uani 1 1 d . . . . .
H22 H 0.2698 0.4577 0.6070 0.036 Uiso 1 1 calc R U . . .
C23 C 0.3836(4) 0.4083(5) 0.5949(3) 0.0448(16) Uani 1 1 d . . . . .
H23A H 0.4130 0.4511 0.6125 0.067 Uiso 1 1 calc R U . . .
H23B H 0.4105 0.3559 0.6004 0.067 Uiso 1 1 calc R U . . .
H23C H 0.3832 0.4206 0.5597 0.067 Uiso 1 1 calc R U . . .
C24 C 0.2963(4) 0.3909(4) 0.6695(2) 0.0387(15) Uani 1 1 d . . . . .
H24A H 0.3285 0.4338 0.6852 0.058 Uiso 1 1 calc R U . . .
H24B H 0.2403 0.3928 0.6818 0.058 Uiso 1 1 calc R U . . .
H24C H 0.3202 0.3378 0.6770 0.058 Uiso 1 1 calc R U . . .
C25 C 0.0506(3) 0.3104(4) 0.5130(2) 0.0311(12) Uani 1 1 d . . . . .
H25 H 0.0389 0.3698 0.5162 0.037 Uiso 1 1 calc R U . . .
C26 C 0.0569(4) 0.2909(4) 0.4581(2) 0.0414(15) Uani 1 1 d . . . . .
H26A H 0.0047 0.3026 0.4422 0.062 Uiso 1 1 calc R U . . .
H26B H 0.0996 0.3244 0.4433 0.062 Uiso 1 1 calc R U . . .
H26C H 0.0703 0.2333 0.4539 0.062 Uiso 1 1 calc R U . . .
C27 C -0.0205(4) 0.2643(4) 0.5355(3) 0.0432(15) Uani 1 1 d . . . . .
H27A H -0.0704 0.2767 0.5172 0.065 Uiso 1 1 calc R U . . .
H27B H -0.0098 0.2057 0.5340 0.065 Uiso 1 1 calc R U . . .
H27C H -0.0273 0.2808 0.5698 0.065 Uiso 1 1 calc R U . . .
C28 C 0.2621(4) 0.4302(4) 0.4678(2) 0.0377(14) Uani 1 1 d . . . . .
H28A H 0.2849 0.4614 0.4404 0.057 Uiso 1 1 calc R U . . .
H28B H 0.3064 0.4105 0.4888 0.057 Uiso 1 1 calc R U . . .
H28C H 0.2315 0.3837 0.4550 0.057 Uiso 1 1 calc R U . . .
C29 C 0.2505(4) 0.5864(4) 0.5272(2) 0.0372(14) Uani 1 1 d . . . . .
H29A H 0.2725 0.6168 0.4992 0.056 Uiso 1 1 calc R U . . .
H29B H 0.2141 0.6217 0.5461 0.056 Uiso 1 1 calc R U . . .
H29C H 0.2953 0.5681 0.5482 0.056 Uiso 1 1 calc R U . . .
C30 C 0.1095(4) 0.5356(4) 0.4643(2) 0.0342(13) Uani 1 1 d . . . . .
H30A H 0.1330 0.5669 0.4371 0.051 Uiso 1 1 calc R U . . .
H30B H 0.0784 0.4897 0.4511 0.051 Uiso 1 1 calc R U . . .
H30C H 0.0734 0.5708 0.4835 0.051 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'
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
N1 Ge1 Ge2 115.16(14) . 6_565 ?
N1 Ge1 Ge3 142.85(14) . . ?
Ge2 Ge1 Ge3 91.97(2) 6_565 . ?
N1 Ge1 Ge2 111.21(14) . . ?
Ge2 Ge1 Ge2 62.41(3) 6_565 . ?
Ge3 Ge1 Ge2 57.99(2) . . ?
Ge1 Ge2 Ge3 78.64(2) 6_565 . ?
Ge1 Ge2 Ge2 64.86(2) 6_565 6_565 ?
Ge3 Ge2 Ge2 83.947(18) . 6_565 ?
Ge1 Ge2 Ge1 101.92(3) 6_565 . ?
Ge3 Ge2 Ge1 54.935(19) . . ?
Ge2 Ge2 Ge1 52.72(2) 6_565 . ?
N2 Ge3 Ge1 132.75(14) . . ?
N2 Ge3 Ge3 138.34(14) . 6_565 ?
Ge1 Ge3 Ge3 78.16(2) . 6_565 ?
N2 Ge3 Ge2 127.15(14) . . ?
Ge1 Ge3 Ge2 67.08(2) . . ?
Ge3 Ge3 Ge2 87.332(19) 6_565 . ?
N1 Si4 C15 109.2(3) . . ?
N1 Si4 C13 109.1(3) . . ?
C15 Si4 C13 110.8(3) . . ?
N1 Si4 C14 110.6(3) . . ?
C15 Si4 C14 108.4(3) . . ?
C13 Si4 C14 108.8(4) . . ?
N2 Si5 C29 111.0(3) . . ?
N2 Si5 C30 110.3(2) . . ?
C29 Si5 C30 107.3(3) . . ?
N2 Si5 C28 109.2(3) . . ?
C29 Si5 C28 109.4(3) . . ?
C30 Si5 C28 109.6(3) . . ?
C1 N1 Si4 122.4(4) . . ?
C1 N1 Ge1 112.6(3) . . ?
Si4 N1 Ge1 123.9(2) . . ?
C16 N2 Si5 120.7(3) . . ?
C16 N2 Ge3 115.2(3) . . ?
Si5 N2 Ge3 124.1(3) . . ?
C2 C1 C6 120.5(5) . . ?
C2 C1 N1 120.3(5) . . ?
C6 C1 N1 119.2(5) . . ?
C3 C2 C1 119.3(6) . . ?
C3 C2 C7 118.4(6) . . ?
C1 C2 C7 122.3(5) . . ?
C2 C3 C4 121.6(6) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C5 C4 C3 118.6(6) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
C4 C5 C6 122.3(6) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C5 C6 C1 117.7(6) . . ?
C5 C6 C10 119.0(6) . . ?
C1 C6 C10 123.3(5) . . ?
C8 C7 C2 111.7(6) . . ?
C8 C7 C9 109.9(6) . . ?
C2 C7 C9 111.4(6) . . ?
C8 C7 H7 107.9 . . ?
C2 C7 H7 107.9 . . ?
C9 C7 H7 107.9 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 C12 111.7(5) . . ?
C6 C10 C11 113.6(6) . . ?
C12 C10 C11 109.3(6) . . ?
C6 C10 H10 107.3 . . ?
C12 C10 H10 107.3 . . ?
C11 C10 H10 107.3 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si4 C13 H13A 109.5 . . ?
Si4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si4 C14 H14A 109.5 . . ?
Si4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si4 C15 H15A 109.5 . . ?
Si4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 119.9(5) . . ?
C17 C16 N2 120.3(5) . . ?
C21 C16 N2 119.8(5) . . ?
C18 C17 C16 118.7(6) . . ?
C18 C17 C22 119.1(5) . . ?
C16 C17 C22 122.1(5) . . ?
C19 C18 C17 120.9(6) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C20 C19 C18 120.0(6) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 121.5(6) . . ?
C19 C20 H20 119.2 . . ?
C21 C20 H20 119.2 . . ?
C20 C21 C16 118.8(6) . . ?
C20 C21 C25 119.7(6) . . ?
C16 C21 C25 121.4(5) . . ?
C17 C22 C23 112.3(5) . . ?
C17 C22 C24 111.1(5) . . ?
C23 C22 C24 109.8(5) . . ?
C17 C22 H22 107.9 . . ?
C23 C22 H22 107.9 . . ?
C24 C22 H22 107.9 . . ?
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 . . ?
C21 C25 C27 111.9(5) . . ?
C21 C25 C26 112.0(5) . . ?
C27 C25 C26 109.9(5) . . ?
C21 C25 H25 107.6 . . ?
C27 C25 H25 107.6 . . ?
C26 C25 H25 107.6 . . ?
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 . . ?
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 . . ?
Si5 C28 H28A 109.5 . . ?
Si5 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si5 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si5 C29 H29A 109.5 . . ?
Si5 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si5 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si5 C30 H30A 109.5 . . ?
Si5 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si5 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 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 1.863(4) . ?
Ge1 Ge2 2.4481(7) 6_565 ?
Ge1 Ge3 2.4751(7) . ?
Ge1 Ge2 2.7852(8) . ?
Ge2 Ge1 2.4481(7) 6_565 ?
Ge2 Ge3 2.5642(7) . ?
Ge2 Ge2 2.7268(11) 6_565 ?
Ge3 N2 1.857(4) . ?
Ge3 Ge3 2.5639(11) 6_565 ?
Si4 N1 1.751(5) . ?
Si4 C15 1.852(6) . ?
Si4 C13 1.867(7) . ?
Si4 C14 1.869(8) . ?
Si5 N2 1.751(4) . ?
Si5 C29 1.859(6) . ?
Si5 C30 1.866(6) . ?
Si5 C28 1.868(6) . ?
N1 C1 1.446(6) . ?
N2 C16 1.441(7) . ?
C1 C2 1.401(8) . ?
C1 C6 1.412(8) . ?
C2 C3 1.378(8) . ?
C2 C7 1.532(9) . ?
C3 C4 1.387(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.381(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.396(8) . ?
C5 H5 0.9500 . ?
C6 C10 1.511(9) . ?
C7 C8 1.525(9) . ?
C7 C9 1.538(10) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C12 1.532(9) . ?
C10 C11 1.534(9) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.411(8) . ?
C16 C21 1.419(8) . ?
C17 C18 1.395(8) . ?
C17 C22 1.512(8) . ?
C18 C19 1.385(10) . ?
C18 H18 0.9500 . ?
C19 C20 1.372(10) . ?
C19 H19 0.9500 . ?
C20 C21 1.382(8) . ?
C20 H20 0.9500 . ?
C21 C25 1.520(8) . ?
C22 C23 1.526(8) . ?
C22 C24 1.533(8) . ?
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 . ?
C25 C27 1.523(9) . ?
C25 C26 1.532(8) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 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
C15 Si4 N1 C1 124.8(4) . . . . ?
C13 Si4 N1 C1 3.6(5) . . . . ?
C14 Si4 N1 C1 -116.0(5) . . . . ?
C15 Si4 N1 Ge1 -67.6(4) . . . . ?
C13 Si4 N1 Ge1 171.1(3) . . . . ?
C14 Si4 N1 Ge1 51.6(4) . . . . ?
Ge2 Ge1 N1 C1 -4.8(4) 6_565 . . . ?
Ge3 Ge1 N1 C1 -137.8(3) . . . . ?
Ge2 Ge1 N1 C1 -73.3(4) . . . . ?
Ge2 Ge1 N1 Si4 -173.4(2) 6_565 . . . ?
Ge3 Ge1 N1 Si4 53.6(4) . . . . ?
Ge2 Ge1 N1 Si4 118.1(3) . . . . ?
C29 Si5 N2 C16 -118.6(4) . . . . ?
C30 Si5 N2 C16 122.6(4) . . . . ?
C28 Si5 N2 C16 2.1(5) . . . . ?
C29 Si5 N2 Ge3 63.2(4) . . . . ?
C30 Si5 N2 Ge3 -55.6(4) . . . . ?
C28 Si5 N2 Ge3 -176.1(3) . . . . ?
Ge1 Ge3 N2 C16 124.0(3) . . . . ?
Ge3 Ge3 N2 C16 -107.8(4) 6_565 . . . ?
Ge2 Ge3 N2 C16 32.0(4) . . . . ?
Ge1 Ge3 N2 Si5 -57.7(3) . . . . ?
Ge3 Ge3 N2 Si5 70.5(4) 6_565 . . . ?
Ge2 Ge3 N2 Si5 -149.73(19) . . . . ?
Si4 N1 C1 C2 85.7(6) . . . . ?
Ge1 N1 C1 C2 -83.1(5) . . . . ?
Si4 N1 C1 C6 -98.0(5) . . . . ?
Ge1 N1 C1 C6 93.2(5) . . . . ?
C6 C1 C2 C3 1.0(8) . . . . ?
N1 C1 C2 C3 177.3(5) . . . . ?
C6 C1 C2 C7 -179.0(5) . . . . ?
N1 C1 C2 C7 -2.7(8) . . . . ?
C1 C2 C3 C4 -0.3(9) . . . . ?
C7 C2 C3 C4 179.7(6) . . . . ?
C2 C3 C4 C5 -0.6(10) . . . . ?
C3 C4 C5 C6 0.9(10) . . . . ?
C4 C5 C6 C1 -0.2(9) . . . . ?
C4 C5 C6 C10 179.1(6) . . . . ?
C2 C1 C6 C5 -0.7(8) . . . . ?
N1 C1 C6 C5 -177.1(5) . . . . ?
C2 C1 C6 C10 180.0(5) . . . . ?
N1 C1 C6 C10 3.6(8) . . . . ?
C3 C2 C7 C8 -63.3(8) . . . . ?
C1 C2 C7 C8 116.7(6) . . . . ?
C3 C2 C7 C9 60.1(8) . . . . ?
C1 C2 C7 C9 -119.9(7) . . . . ?
C5 C6 C10 C12 -85.4(7) . . . . ?
C1 C6 C10 C12 93.9(7) . . . . ?
C5 C6 C10 C11 38.7(7) . . . . ?
C1 C6 C10 C11 -142.0(6) . . . . ?
Si5 N2 C16 C17 85.2(6) . . . . ?
Ge3 N2 C16 C17 -96.5(5) . . . . ?
Si5 N2 C16 C21 -92.4(6) . . . . ?
Ge3 N2 C16 C21 86.0(5) . . . . ?
C21 C16 C17 C18 0.9(8) . . . . ?
N2 C16 C17 C18 -176.6(5) . . . . ?
C21 C16 C17 C22 -176.6(5) . . . . ?
N2 C16 C17 C22 5.9(8) . . . . ?
C16 C17 C18 C19 1.3(9) . . . . ?
C22 C17 C18 C19 178.8(6) . . . . ?
C17 C18 C19 C20 -2.0(10) . . . . ?
C18 C19 C20 C21 0.5(10) . . . . ?
C19 C20 C21 C16 1.7(9) . . . . ?
C19 C20 C21 C25 -177.2(6) . . . . ?
C17 C16 C21 C20 -2.4(8) . . . . ?
N2 C16 C21 C20 175.2(5) . . . . ?
C17 C16 C21 C25 176.6(5) . . . . ?
N2 C16 C21 C25 -5.9(8) . . . . ?
C18 C17 C22 C23 62.6(7) . . . . ?
C16 C17 C22 C23 -119.9(6) . . . . ?
C18 C17 C22 C24 -60.7(7) . . . . ?
C16 C17 C22 C24 116.7(6) . . . . ?
C20 C21 C25 C27 56.7(7) . . . . ?
C16 C21 C25 C27 -122.2(6) . . . . ?
C20 C21 C25 C26 -67.2(7) . . . . ?
C16 C21 C25 C26 113.8(6) . . . . ?
