# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lch21_4
_database_code_depnum_ccdc_archive 'CCDC 2392567'
loop_
_audit_author_name
_audit_author_address
'Marc Schmidtmann'
;Carl von Ossietzky Universitaet Oldenburg
Germany
;
_audit_update_record             
;
2024-10-21 deposited with the CCDC.	2024-12-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_structural     
'K(C12H24O6) [GeC4(CH3)2(Si(CH3)3)2(C5H4N2Si(CH3)3)]'
_chemical_formula_sum            'C32 H61 Ge K N2 O6 Si3'
_chemical_formula_weight         765.78

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'
O O 0.0106 0.0060 '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'
K K 0.2009 0.2494 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   19.6032(9)
_cell_length_b                   10.9806(5)
_cell_length_c                   20.4878(8)
_cell_angle_alpha                90
_cell_angle_beta                 110.1445(14)
_cell_angle_gamma                90
_cell_volume                     4140.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6179
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      31.11

_exptl_crystal_description       block
_exptl_crystal_colour            'yellow orange'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.229
_exptl_crystal_F_000             1632
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.966
_shelx_estimated_absorpt_T_min   0.877
_shelx_estimated_absorpt_T_max   0.944
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.844277
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   'TWINABS-2012/1 (Sheldrick)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'I\mS microfocus'
_diffrn_measurement_device_type  'Bruker Photon III CPAD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14418
_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_theta_min         2.024
_diffrn_reflns_theta_max         32.031
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             14418
_reflns_number_gt                12216
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT V8.40B'
_computing_data_reduction        'Bruker SAINT V8.40B'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0350P)²+2.5000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14418
_refine_ls_number_parameters     420
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0410
_refine_ls_wR_factor_ref         0.0867
_refine_ls_wR_factor_gt          0.0817
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.29694(2) 0.44835(2) 0.35862(2) 0.01504(4) Uani 1 1 d . . . . .
Si1 Si 0.28927(2) 0.56164(4) 0.20210(2) 0.02087(8) Uani 1 1 d . . . . .
Si2 Si 0.26810(2) 0.18635(4) 0.43022(2) 0.01821(8) Uani 1 1 d . . . . .
Si3 Si 0.20005(2) 0.63590(4) 0.41241(2) 0.01961(8) Uani 1 1 d . . . . .
N1 N 0.20398(6) 0.52054(11) 0.35480(6) 0.0166(2) Uani 1 1 d . . . . .
N2 N 0.08590(7) 0.57745(12) 0.28969(6) 0.0198(2) Uani 1 1 d . . . . .
C1 C 0.29323(7) 0.43223(13) 0.26102(7) 0.0177(3) Uani 1 1 d . . . . .
C2 C 0.30818(7) 0.31281(14) 0.25183(7) 0.0181(3) Uani 1 1 d . . . . .
C3 C 0.30378(7) 0.22375(13) 0.30470(7) 0.0177(3) Uani 1 1 d . . . . .
C4 C 0.28625(7) 0.26790(13) 0.35917(7) 0.0164(2) Uani 1 1 d . . . . .
C5 C 0.33210(9) 0.26761(16) 0.19343(8) 0.0255(3) Uani 1 1 d . . . . .
H5A H 0.382498 0.239207 0.212525 0.038 Uiso 1 1 calc R U . . .
H5B H 0.328624 0.334077 0.160509 0.038 Uiso 1 1 calc R U . . .
H5C H 0.300667 0.200255 0.169369 0.038 Uiso 1 1 calc R U . . .
C6 C 0.32151(9) 0.09079(14) 0.29669(8) 0.0241(3) Uani 1 1 d . . . . .
H6A H 0.298346 0.065948 0.248092 0.036 Uiso 1 1 calc R U . . .
H6B H 0.303322 0.039972 0.326462 0.036 Uiso 1 1 calc R U . . .
H6C H 0.374265 0.080868 0.310346 0.036 Uiso 1 1 calc R U . . .
C7 C 0.26863(12) 0.70482(16) 0.24096(10) 0.0355(4) Uani 1 1 d . . . . .
H7A H 0.224364 0.693514 0.252255 0.053 Uiso 1 1 calc R U . . .
H7B H 0.261431 0.771692 0.207574 0.053 Uiso 1 1 calc R U . . .
H7C H 0.309276 0.724355 0.283427 0.053 Uiso 1 1 calc R U . . .
C8 C 0.21456(9) 0.53940(17) 0.11609(9) 0.0305(4) Uani 1 1 d . . . . .
H8A H 0.225458 0.468195 0.092559 0.046 Uiso 1 1 calc R U . . .
H8B H 0.210849 0.611861 0.087140 0.046 Uiso 1 1 calc R U . . .
H8C H 0.168402 0.526554 0.123720 0.046 Uiso 1 1 calc R U . . .
C9 C 0.37468(9) 0.59325(19) 0.18279(10) 0.0334(4) Uani 1 1 d . . . . .
H9A H 0.413797 0.615370 0.225890 0.050 Uiso 1 1 calc R U . . .
H9B H 0.366088 0.660573 0.149524 0.050 Uiso 1 1 calc R U . . .
H9C H 0.388657 0.520262 0.162896 0.050 Uiso 1 1 calc R U . . .
C10 C 0.27578(10) 0.29731(16) 0.50163(8) 0.0281(3) Uani 1 1 d . . . . .
H10A H 0.324173 0.334532 0.517126 0.042 Uiso 1 1 calc R U . . .
H10B H 0.268392 0.254710 0.540702 0.042 Uiso 1 1 calc R U . . .
H10C H 0.238794 0.360856 0.484494 0.042 Uiso 1 1 calc R U . . .
C11 C 0.17213(8) 0.12923(16) 0.39738(9) 0.0276(3) Uani 1 1 d . . . . .
H11A H 0.138774 0.198147 0.381308 0.041 Uiso 1 1 calc R U . . .
H11B H 0.161614 0.086929 0.434958 0.041 Uiso 1 1 calc R U . . .
H11C H 0.165837 0.072753 0.358700 0.041 Uiso 1 1 calc R U . . .
C12 C 0.33106(9) 0.05636(16) 0.47143(9) 0.0283(3) Uani 1 1 d . . . . .
H12A H 0.322937 -0.010791 0.438101 0.042 Uiso 1 1 calc R U . . .
H12B H 0.321408 0.028354 0.512825 0.042 Uiso 1 1 calc R U . . .
H12C H 0.381565 0.083978 0.484769 0.042 Uiso 1 1 calc R U . . .
C13 C 0.28738(10) 0.64000(17) 0.48784(10) 0.0343(4) Uani 1 1 d . . . . .
H13A H 0.294498 0.562078 0.512607 0.051 Uiso 1 1 calc R U . . .
H13B H 0.285609 0.705900 0.519472 0.051 Uiso 1 1 calc R U . . .
H13C H 0.327795 0.654182 0.470948 0.051 Uiso 1 1 calc R U . . .
C14 C 0.12643(9) 0.60201(17) 0.44925(9) 0.0289(3) Uani 1 1 d . . . . .
H14A H 0.079400 0.627849 0.416106 0.043 Uiso 1 1 calc R U . . .
H14B H 0.136296 0.646197 0.493100 0.043 Uiso 1 1 calc R U . . .
H14C H 0.125260 0.514324 0.457718 0.043 Uiso 1 1 calc R U . . .
C15 C 0.18824(10) 0.79385(15) 0.37609(10) 0.0314(4) Uani 1 1 d . . . . .
H15A H 0.230523 0.815811 0.363440 0.047 Uiso 1 1 calc R U . . .
H15B H 0.183733 0.851063 0.411092 0.047 Uiso 1 1 calc R U . . .
H15C H 0.144260 0.797456 0.334692 0.047 Uiso 1 1 calc R U . . .
C16 C 0.13953(7) 0.49387(13) 0.30208(7) 0.0161(2) Uani 1 1 d . . . . .
C17 C 0.12812(7) 0.38432(13) 0.26339(7) 0.0182(3) Uani 1 1 d . . . . .
H17 H 0.166279 0.326650 0.271508 0.022 Uiso 1 1 calc R U . . .
C18 C 0.06089(8) 0.36217(14) 0.21367(7) 0.0206(3) Uani 1 1 d . . . . .
H18 H 0.052193 0.288086 0.188165 0.025 Uiso 1 1 calc R U . . .
C19 C 0.00571(8) 0.44897(15) 0.20100(8) 0.0226(3) Uani 1 1 d . . . . .
H19 H -0.040812 0.436078 0.166807 0.027 Uiso 1 1 calc R U . . .
C20 C 0.02154(8) 0.55403(15) 0.24012(8) 0.0223(3) Uani 1 1 d . . . . .
H20 H -0.015498 0.613918 0.231483 0.027 Uiso 1 1 calc R U . . .
K1 K 0.500000 0.500000 0.500000 0.04965(19) Uani 1 2 d S . P . .
O1 O 0.50055(7) 0.60582(11) 0.37535(6) 0.0285(2) Uani 1 1 d . . . . .
O2 O 0.52969(6) 0.35529(10) 0.40034(6) 0.0229(2) Uani 1 1 d . . . . .
O3 O 0.49910(6) 0.24865(10) 0.51412(6) 0.0248(2) Uani 1 1 d . . . . .
C21 C 0.54021(9) 0.53682(16) 0.34166(8) 0.0263(3) Uani 1 1 d . . . . .
H21A H 0.592576 0.536697 0.369975 0.032 Uiso 1 1 calc R U . . .
H21B H 0.534227 0.572496 0.295635 0.032 Uiso 1 1 calc R U . . .
C22 C 0.51081(9) 0.40961(16) 0.33335(8) 0.0256(3) Uani 1 1 d . . . . .
H22A H 0.457323 0.411114 0.310655 0.031 Uiso 1 1 calc R U . . .
H22B H 0.531639 0.361680 0.303813 0.031 Uiso 1 1 calc R U . . .
C23 C 0.49601(8) 0.23932(15) 0.39739(8) 0.0245(3) Uani 1 1 d . . . . .
H23A H 0.506657 0.186795 0.362806 0.029 Uiso 1 1 calc R U . . .
H23B H 0.442667 0.249163 0.383187 0.029 Uiso 1 1 calc R U . . .
C24 C 0.52504(9) 0.18207(14) 0.46785(9) 0.0262(3) Uani 1 1 d . . . . .
H24A H 0.508760 0.096302 0.465330 0.031 Uiso 1 1 calc R U . . .
H24B H 0.578829 0.183094 0.484899 0.031 Uiso 1 1 calc R U . . .
C25 C 0.52792(10) 0.20694(15) 0.58378(9) 0.0291(3) Uani 1 1 d . . . . .
H25A H 0.580164 0.227675 0.603969 0.035 Uiso 1 1 calc R U . . .
H25B H 0.522877 0.117374 0.585272 0.035 Uiso 1 1 calc R U . . .
C26 C 0.48682(10) 0.26721(16) 0.62461(9) 0.0301(3) Uani 1 1 d . . . . .
H26A H 0.434229 0.249932 0.603103 0.036 Uiso 1 1 calc R U . . .
H26B H 0.503696 0.235815 0.672857 0.036 Uiso 1 1 calc R U . . .
K2 K 0.000000 0.500000 0.500000 0.01946(8) Uani 1 2 d S . P . .
O4 O -0.02892(6) 0.73817(10) 0.52847(6) 0.0248(2) Uani 1 1 d . . . . .
O5 O -0.09290(6) 0.64210(10) 0.39469(5) 0.0227(2) Uani 1 1 d . . . . .
O6 O -0.08764(6) 0.38959(11) 0.37576(5) 0.0253(2) Uani 1 1 d . . . . .
C27 C -0.05828(10) 0.81399(15) 0.46909(8) 0.0280(3) Uani 1 1 d . . . . .
H27A H -0.020552 0.832521 0.448540 0.034 Uiso 1 1 calc R U . . .
H27B H -0.075395 0.891691 0.482530 0.034 Uiso 1 1 calc R U . . .
C28 C -0.12059(9) 0.74791(16) 0.41716(8) 0.0269(3) Uani 1 1 d . . . . .
H28A H -0.156722 0.724351 0.438754 0.032 Uiso 1 1 calc R U . . .
H28B H -0.144793 0.801450 0.376959 0.032 Uiso 1 1 calc R U . . .
C29 C -0.14933(9) 0.57764(16) 0.34304(8) 0.0264(3) Uani 1 1 d . . . . .
H29A H -0.173709 0.632102 0.303327 0.032 Uiso 1 1 calc R U . . .
H29B H -0.186020 0.548993 0.362775 0.032 Uiso 1 1 calc R U . . .
C30 C -0.11659(9) 0.47131(16) 0.31898(8) 0.0281(3) Uani 1 1 d . . . . .
H30A H -0.154091 0.429606 0.280158 0.034 Uiso 1 1 calc R U . . .
H30B H -0.077529 0.499433 0.302236 0.034 Uiso 1 1 calc R U . . .
C31 C -0.05414(10) 0.28665(17) 0.35652(9) 0.0339(4) Uani 1 1 d . . . . .
H31A H -0.012757 0.313330 0.342800 0.041 Uiso 1 1 calc R U . . .
H31B H -0.089595 0.243995 0.316588 0.041 Uiso 1 1 calc R U . . .
C32 C -0.02801(10) 0.20292(16) 0.41801(9) 0.0326(4) Uani 1 1 d . . . . .
H32A H -0.068463 0.183288 0.434732 0.039 Uiso 1 1 calc R U . . .
H32B H -0.009992 0.125998 0.404618 0.039 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 1.9639(12) . ?
Ge1 C1 1.9837(14) . ?
Ge1 C4 1.9930(14) . ?
Si1 C1 1.8489(15) . ?
Si1 C7 1.8685(19) . ?
Si1 C8 1.8794(17) . ?
Si1 C9 1.8804(17) . ?
Si2 C4 1.8450(14) . ?
Si2 C10 1.8699(17) . ?
Si2 C11 1.8743(16) . ?
Si2 C12 1.8857(16) . ?
Si3 N1 1.7511(12) . ?
Si3 C15 1.8700(18) . ?
Si3 C13 1.8705(17) . ?
Si3 C14 1.8817(17) . ?
N1 C16 1.3817(17) . ?
N2 C20 1.3442(19) . ?
N2 C16 1.3521(18) . ?
C1 C2 1.371(2) . ?
C2 C3 1.484(2) . ?
C2 C5 1.511(2) . ?
C3 C4 1.3647(19) . ?
C3 C6 1.523(2) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
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 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
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 K2 3.2022(17) . ?
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 1.415(2) . ?
C17 C18 1.3817(19) . ?
C17 H17 0.9500 . ?
C18 C19 1.397(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.378(2) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
K1 O3 2.7758(11) . ?
K1 O3 2.7759(11) 3_666 ?
K1 O2 2.8021(11) . ?
K1 O2 2.8022(11) 3_666 ?
K1 O1 2.8092(12) 3_666 ?
K1 O1 2.8092(12) . ?
K1 C23 3.5363(15) 3_666 ?
K1 C23 3.5364(15) . ?
O1 C26 1.416(2) 3_666 ?
O1 C21 1.423(2) . ?
O2 C22 1.4235(19) . ?
O2 C23 1.4261(19) . ?
O3 C25 1.4178(19) . ?
O3 C24 1.4227(19) . ?
C21 C22 1.498(2) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.496(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.500(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
K2 O5 2.7748(10) 3_566 ?
K2 O5 2.7748(10) . ?
K2 O4 2.7801(11) 3_566 ?
K2 O4 2.7801(11) . ?
K2 O6 2.8085(11) 3_566 ?
K2 O6 2.8086(11) . ?
O4 C27 1.4220(19) . ?
O4 C32 1.423(2) 3_566 ?
O5 C28 1.424(2) . ?
O5 C29 1.4277(18) . ?
O6 C30 1.4234(19) . ?
O6 C31 1.429(2) . ?
C27 C28 1.502(2) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.495(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.500(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?

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 C1 106.52(5) . . ?
N1 Ge1 C4 107.67(5) . . ?
C1 Ge1 C4 87.11(6) . . ?
C1 Si1 C7 109.57(7) . . ?
C1 Si1 C8 110.87(7) . . ?
C7 Si1 C8 107.20(9) . . ?
C1 Si1 C9 116.04(7) . . ?
C7 Si1 C9 105.87(9) . . ?
C8 Si1 C9 106.83(8) . . ?
C4 Si2 C10 108.40(7) . . ?
C4 Si2 C11 108.77(7) . . ?
C10 Si2 C11 107.42(8) . . ?
C4 Si2 C12 116.50(7) . . ?
C10 Si2 C12 106.20(8) . . ?
C11 Si2 C12 109.19(8) . . ?
N1 Si3 C15 115.52(7) . . ?
N1 Si3 C13 109.51(7) . . ?
C15 Si3 C13 105.02(9) . . ?
N1 Si3 C14 110.19(7) . . ?
C15 Si3 C14 109.64(8) . . ?
C13 Si3 C14 106.47(9) . . ?
C16 N1 Si3 116.08(9) . . ?
C16 N1 Ge1 122.12(9) . . ?
Si3 N1 Ge1 121.38(6) . . ?
C20 N2 C16 118.61(13) . . ?
C2 C1 Si1 127.48(11) . . ?
C2 C1 Ge1 106.77(10) . . ?
Si1 C1 Ge1 124.63(8) . . ?
C1 C2 C3 117.47(12) . . ?
C1 C2 C5 124.21(14) . . ?
C3 C2 C5 118.26(13) . . ?
C4 C3 C2 117.20(13) . . ?
C4 C3 C6 124.05(13) . . ?
C2 C3 C6 118.71(13) . . ?
C3 C4 Si2 130.09(11) . . ?
C3 C4 Ge1 106.98(10) . . ?
Si2 C4 Ge1 122.43(7) . . ?
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 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 K2 170.30(9) . . ?
Si3 C14 H14A 109.5 . . ?
K2 C14 H14A 71.2 . . ?
Si3 C14 H14B 109.5 . . ?
K2 C14 H14B 78.8 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
K2 C14 H14C 62.0 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 N1 116.45(12) . . ?
N2 C16 C17 120.60(12) . . ?
N1 C16 C17 122.93(12) . . ?
C18 C17 C16 119.28(13) . . ?
C18 C17 H17 120.4 . . ?
C16 C17 H17 120.4 . . ?
C17 C18 C19 119.85(14) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C20 C19 C18 117.27(13) . . ?
C20 C19 H19 121.4 . . ?
C18 C19 H19 121.4 . . ?
N2 C20 C19 124.37(14) . . ?
N2 C20 H20 117.8 . . ?
C19 C20 H20 117.8 . . ?
O3 K1 O3 180.0 . 3_666 ?
O3 K1 O2 61.48(3) . . ?
O3 K1 O2 118.52(3) 3_666 . ?
O3 K1 O2 118.52(3) . 3_666 ?
O3 K1 O2 61.48(3) 3_666 3_666 ?
O2 K1 O2 180.0 . 3_666 ?
O3 K1 O1 59.46(3) . 3_666 ?
O3 K1 O1 120.54(3) 3_666 3_666 ?
O2 K1 O1 119.65(3) . 3_666 ?
O2 K1 O1 60.35(3) 3_666 3_666 ?
O3 K1 O1 120.54(3) . . ?
O3 K1 O1 59.46(3) 3_666 . ?
O2 K1 O1 60.35(3) . . ?
O2 K1 O1 119.65(3) 3_666 . ?
O1 K1 O1 180.0 3_666 . ?
O3 K1 C23 137.94(4) . 3_666 ?
O3 K1 C23 42.06(4) 3_666 3_666 ?
O2 K1 C23 157.61(3) . 3_666 ?
O2 K1 C23 22.40(3) 3_666 3_666 ?
O1 K1 C23 78.50(4) 3_666 3_666 ?
O1 K1 C23 101.50(4) . 3_666 ?
O3 K1 C23 42.06(4) . . ?
O3 K1 C23 137.94(4) 3_666 . ?
O2 K1 C23 22.39(3) . . ?
O2 K1 C23 157.60(3) 3_666 . ?
O1 K1 C23 101.50(4) 3_666 . ?
O1 K1 C23 78.50(4) . . ?
C23 K1 C23 180.0 3_666 . ?
C26 O1 C21 113.57(13) 3_666 . ?
C26 O1 K1 117.53(10) 3_666 . ?
C21 O1 K1 113.24(9) . . ?
C22 O2 C23 111.74(12) . . ?
C22 O2 K1 114.49(9) . . ?
C23 O2 K1 109.14(9) . . ?
C25 O3 C24 113.25(12) . . ?
C25 O3 K1 114.29(9) . . ?
C24 O3 K1 115.15(9) . . ?
O1 C21 C22 107.37(13) . . ?
O1 C21 H21A 110.2 . . ?
C22 C21 H21A 110.2 . . ?
O1 C21 H21B 110.2 . . ?
C22 C21 H21B 110.2 . . ?
H21A C21 H21B 108.5 . . ?
O2 C22 C21 108.60(12) . . ?
O2 C22 H22A 110.0 . . ?
C21 C22 H22A 110.0 . . ?
O2 C22 H22B 110.0 . . ?
C21 C22 H22B 110.0 . . ?
H22A C22 H22B 108.3 . . ?
O2 C23 C24 108.52(12) . . ?
O2 C23 K1 48.47(7) . . ?
C24 C23 K1 80.98(9) . . ?
O2 C23 H23A 110.0 . . ?
C24 C23 H23A 110.0 . . ?
K1 C23 H23A 158.4 . . ?
O2 C23 H23B 110.0 . . ?
C24 C23 H23B 110.0 . . ?
K1 C23 H23B 83.8 . . ?
H23A C23 H23B 108.4 . . ?
O3 C24 C23 108.82(12) . . ?
O3 C24 H24A 109.9 . . ?
C23 C24 H24A 109.9 . . ?
O3 C24 H24B 109.9 . . ?
C23 C24 H24B 109.9 . . ?
H24A C24 H24B 108.3 . . ?
O3 C25 C26 108.33(13) . . ?
O3 C25 H25A 110.0 . . ?
C26 C25 H25A 110.0 . . ?
O3 C25 H25B 110.0 . . ?
C26 C25 H25B 110.0 . . ?
H25A C25 H25B 108.4 . . ?
O1 C26 C25 107.90(14) 3_666 . ?
O1 C26 H26A 110.1 3_666 . ?
C25 C26 H26A 110.1 . . ?
O1 C26 H26B 110.1 3_666 . ?
C25 C26 H26B 110.1 . . ?
H26A C26 H26B 108.4 . . ?
O5 K2 O5 180.0 3_566 . ?
O5 K2 O4 60.50(3) 3_566 3_566 ?
O5 K2 O4 119.50(3) . 3_566 ?
O5 K2 O4 119.50(3) 3_566 . ?
O5 K2 O4 60.50(3) . . ?
O4 K2 O4 180.0 3_566 . ?
O5 K2 O6 60.34(3) 3_566 3_566 ?
O5 K2 O6 119.66(3) . 3_566 ?
O4 K2 O6 119.40(3) 3_566 3_566 ?
O4 K2 O6 60.60(3) . 3_566 ?
O5 K2 O6 119.66(3) 3_566 . ?
O5 K2 O6 60.34(3) . . ?
O4 K2 O6 60.60(3) 3_566 . ?
O4 K2 O6 119.40(3) . . ?
O6 K2 O6 180.00(5) 3_566 . ?
O5 K2 C14 85.70(4) 3_566 3_566 ?
O5 K2 C14 94.31(4) . 3_566 ?
O4 K2 C14 88.61(4) 3_566 3_566 ?
O4 K2 C14 91.40(4) . 3_566 ?
O6 K2 C14 99.03(4) 3_566 3_566 ?
O6 K2 C14 80.97(4) . 3_566 ?
O5 K2 C14 94.30(4) 3_566 . ?
O5 K2 C14 85.69(4) . . ?
O4 K2 C14 91.39(4) 3_566 . ?
O4 K2 C14 88.60(4) . . ?
O6 K2 C14 80.97(4) 3_566 . ?
O6 K2 C14 99.03(4) . . ?
C14 K2 C14 180.0 3_566 . ?
C27 O4 C32 111.86(13) . 3_566 ?
C27 O4 K2 115.02(9) . . ?
C32 O4 K2 115.28(9) 3_566 . ?
C28 O5 C29 111.08(12) . . ?
C28 O5 K2 115.37(8) . . ?
C29 O5 K2 115.54(9) . . ?
C30 O6 C31 111.40(12) . . ?
C30 O6 K2 114.57(9) . . ?
C31 O6 K2 113.30(9) . . ?
O4 C27 C28 108.30(14) . . ?
O4 C27 H27A 110.0 . . ?
C28 C27 H27A 110.0 . . ?
O4 C27 H27B 110.0 . . ?
C28 C27 H27B 110.0 . . ?
H27A C27 H27B 108.4 . . ?
O5 C28 C27 108.40(13) . . ?
O5 C28 H28A 110.0 . . ?
C27 C28 H28A 110.0 . . ?
O5 C28 H28B 110.0 . . ?
C27 C28 H28B 110.0 . . ?
H28A C28 H28B 108.4 . . ?
O5 C29 C30 108.69(13) . . ?
O5 C29 H29A 110.0 . . ?
C30 C29 H29A 110.0 . . ?
O5 C29 H29B 110.0 . . ?
C30 C29 H29B 110.0 . . ?
H29A C29 H29B 108.3 . . ?
O6 C30 C29 108.56(13) . . ?
O6 C30 H30A 110.0 . . ?
C29 C30 H30A 110.0 . . ?
O6 C30 H30B 110.0 . . ?
C29 C30 H30B 110.0 . . ?
H30A C30 H30B 108.4 . . ?
O6 C31 C32 108.04(14) . . ?
O6 C31 H31A 110.1 . . ?
C32 C31 H31A 110.1 . . ?
O6 C31 H31B 110.1 . . ?
C32 C31 H31B 110.1 . . ?
H31A C31 H31B 108.4 . . ?
O4 C32 C31 108.60(15) 3_566 . ?
O4 C32 H32A 110.0 3_566 . ?
C31 C32 H32A 110.0 . . ?
O4 C32 H32B 110.0 3_566 . ?
C31 C32 H32B 110.0 . . ?
H32A C32 H32B 108.3 . . ?

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 Si3 N1 C16 -71.40(12) . . . . ?
C13 Si3 N1 C16 170.32(11) . . . . ?
C14 Si3 N1 C16 53.52(12) . . . . ?
C15 Si3 N1 Ge1 101.37(9) . . . . ?
C13 Si3 N1 Ge1 -16.92(11) . . . . ?
C14 Si3 N1 Ge1 -133.72(8) . . . . ?
C7 Si1 C1 C2 -178.76(13) . . . . ?
C8 Si1 C1 C2 63.12(15) . . . . ?
C9 Si1 C1 C2 -58.97(15) . . . . ?
C7 Si1 C1 Ge1 -12.49(12) . . . . ?
C8 Si1 C1 Ge1 -130.62(9) . . . . ?
C9 Si1 C1 Ge1 107.30(10) . . . . ?
Si1 C1 C2 C3 -176.37(10) . . . . ?
Ge1 C1 C2 C3 15.41(15) . . . . ?
Si1 C1 C2 C5 6.6(2) . . . . ?
Ge1 C1 C2 C5 -161.63(11) . . . . ?
C1 C2 C3 C4 -1.01(19) . . . . ?
C5 C2 C3 C4 176.22(12) . . . . ?
C1 C2 C3 C6 -178.84(13) . . . . ?
C5 C2 C3 C6 -1.62(19) . . . . ?
C2 C3 C4 Si2 174.22(10) . . . . ?
C6 C3 C4 Si2 -8.1(2) . . . . ?
C2 C3 C4 Ge1 -13.95(14) . . . . ?
C6 C3 C4 Ge1 163.77(11) . . . . ?
C10 Si2 C4 C3 162.66(13) . . . . ?
C11 Si2 C4 C3 -80.84(14) . . . . ?
C12 Si2 C4 C3 43.04(15) . . . . ?
C10 Si2 C4 Ge1 -8.07(10) . . . . ?
C11 Si2 C4 Ge1 108.43(9) . . . . ?
C12 Si2 C4 Ge1 -127.70(9) . . . . ?
C20 N2 C16 N1 -178.26(13) . . . . ?
C20 N2 C16 C17 0.3(2) . . . . ?
Si3 N1 C16 N2 16.20(16) . . . . ?
Ge1 N1 C16 N2 -156.50(10) . . . . ?
Si3 N1 C16 C17 -162.30(11) . . . . ?
Ge1 N1 C16 C17 24.99(19) . . . . ?
N2 C16 C17 C18 -1.4(2) . . . . ?
N1 C16 C17 C18 177.00(13) . . . . ?
C16 C17 C18 C19 1.6(2) . . . . ?
C17 C18 C19 C20 -0.5(2) . . . . ?
C16 N2 C20 C19 0.8(2) . . . . ?
C18 C19 C20 N2 -0.7(2) . . . . ?
C26 O1 C21 C22 -169.12(13) 3_666 . . . ?
K1 O1 C21 C22 53.48(14) . . . . ?
C23 O2 C22 C21 172.87(12) . . . . ?
K1 O2 C22 C21 48.15(14) . . . . ?
O1 C21 C22 O2 -68.22(16) . . . . ?
C22 O2 C23 C24 173.51(13) . . . . ?
K1 O2 C23 C24 -58.84(13) . . . . ?
C22 O2 C23 K1 -127.65(13) . . . . ?
C25 O3 C24 C23 -175.65(13) . . . . ?
K1 O3 C24 C23 -41.51(14) . . . . ?
O2 C23 C24 O3 68.91(15) . . . . ?
K1 C23 C24 O3 28.48(10) . . . . ?
C24 O3 C25 C26 -169.63(13) . . . . ?
K1 O3 C25 C26 55.83(15) . . . . ?
O3 C25 C26 O1 -63.36(17) . . . 3_666 ?
C32 O4 C27 C28 -176.68(14) 3_566 . . . ?
K2 O4 C27 C28 49.30(15) . . . . ?
C29 O5 C28 C27 -177.73(13) . . . . ?
K2 O5 C28 C27 48.31(15) . . . . ?
O4 C27 C28 O5 -64.55(17) . . . . ?
C28 O5 C29 C30 177.24(13) . . . . ?
K2 O5 C29 C30 -48.88(15) . . . . ?
C31 O6 C30 C29 -178.87(14) . . . . ?
K2 O6 C30 C29 -48.61(15) . . . . ?
O5 C29 C30 O6 64.66(17) . . . . ?
C30 O6 C31 C32 -177.64(14) . . . . ?
K2 O6 C31 C32 51.44(17) . . . . ?
O6 C31 C32 O4 -66.59(19) . . . 3_566 ?

_refine_diff_density_max         0.638
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.063



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lch223b
_database_code_depnum_ccdc_archive 'CCDC 2392568'
loop_
_audit_author_name
_audit_author_address
'Marc Schmidtmann'
;Carl von Ossietzky Universitaet Oldenburg
Germany
;
_audit_update_record             
;
2024-10-21 deposited with the CCDC.	2024-12-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_structural     (GeC4(CH3)3(Si(CH3)3)2)2Ge(C5H4N2Si(CH3)3)2
_chemical_formula_sum            'C40 H74 Ge3 N4 Si6'
_chemical_formula_weight         997.34

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'
'-x, -y, -z'

_cell_length_a                   10.8498(5)
_cell_length_b                   14.8521(7)
_cell_length_c                   16.7213(8)
_cell_angle_alpha                76.534(2)
_cell_angle_beta                 82.7769(19)
_cell_angle_gamma                88.1701(19)
_cell_volume                     2599.6(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9845
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      36.29

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_F_000             1044
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    1.891
_shelx_estimated_absorpt_T_min   0.819
_shelx_estimated_absorpt_T_max   0.945
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8787
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS-2016/2 (Sheldrick)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'I\mS microfocus'
_diffrn_measurement_device_type  'Bruker Photon III CPAD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            208606
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.262
_diffrn_reflns_theta_max         36.318
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             25206
_reflns_number_gt                21572
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT V8.40B'
_computing_data_reduction        'Bruker SAINT V8.40B'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0250P)²+1.7500P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         25206
_refine_ls_number_parameters     500
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0300
_refine_ls_wR_factor_ref         0.0771
_refine_ls_wR_factor_gt          0.0741
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_restrained_S_all      1.127
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.24753(2) 0.12659(2) 0.19063(2) 0.01042(2) Uani 1 1 d . . . . .
Ge2 Ge 0.19542(2) 0.35328(2) 0.31068(2) 0.01110(2) Uani 1 1 d . . . . .
Ge3 Ge 0.28427(2) 0.19987(2) 0.30356(2) 0.01275(3) Uani 1 1 d . . . . .
Si1 Si 0.45300(3) -0.03269(2) 0.27763(2) 0.01333(6) Uani 1 1 d . . . . .
Si2 Si 0.17601(4) 0.25721(3) 0.00492(2) 0.01627(6) Uani 1 1 d . . . . .
Si3 Si -0.09228(4) 0.40248(3) 0.25057(2) 0.01976(7) Uani 1 1 d . . . . .
Si4 Si 0.35939(3) 0.32755(3) 0.47612(2) 0.01687(6) Uani 1 1 d . . . . .
Si5 Si 0.04416(3) -0.02705(3) 0.19126(2) 0.01556(6) Uani 1 1 d . . . . .
Si6 Si 0.29655(4) 0.55930(3) 0.22309(2) 0.01899(7) Uani 1 1 d . . . . .
N1 N 0.09829(9) 0.05810(7) 0.23627(6) 0.01295(16) Uani 1 1 d . . . . .
N2 N 0.09746(10) 0.12642(7) 0.35041(6) 0.01384(17) Uani 1 1 d . . . . .
N3 N 0.30229(10) 0.43885(7) 0.22983(6) 0.01403(17) Uani 1 1 d . . . . .
N4 N 0.41908(9) 0.30769(7) 0.20999(6) 0.01284(16) Uani 1 1 d . . . . .
C1 C 0.39384(10) 0.04540(8) 0.18601(7) 0.01258(18) Uani 1 1 d . . . . .
C2 C 0.45609(11) 0.07663(8) 0.10920(7) 0.01329(18) Uani 1 1 d . . . . .
C3 C 0.39235(11) 0.14613(8) 0.04718(7) 0.01436(19) Uani 1 1 d . . . . .
C4 C 0.27515(11) 0.17396(8) 0.07015(7) 0.01415(19) Uani 1 1 d . . . . .
C5 C 0.58796(12) 0.04970(10) 0.08295(8) 0.0198(2) Uani 1 1 d . . . . .
H5A H 0.641991 0.103891 0.072315 0.030 Uiso 1 1 calc R U . . .
H5B H 0.590679 0.026709 0.032367 0.030 Uiso 1 1 calc R U . . .
H5C H 0.616663 0.001035 0.127155 0.030 Uiso 1 1 calc R U . . .
C6 C 0.46513(14) 0.18333(10) -0.03659(8) 0.0208(2) Uani 1 1 d . . . . .
H6A H 0.414031 0.228136 -0.071049 0.031 Uiso 1 1 calc R U . . .
H6B H 0.488061 0.132170 -0.063479 0.031 Uiso 1 1 calc R U . . .
H6C H 0.540526 0.213831 -0.029601 0.031 Uiso 1 1 calc R U . . .
C7 C 0.32432(13) -0.06193(10) 0.36492(8) 0.0207(2) Uani 1 1 d . . . . .
H7A H 0.293560 -0.005154 0.381045 0.031 Uiso 1 1 calc R U . . .
H7B H 0.355453 -0.104343 0.412329 0.031 Uiso 1 1 calc R U . . .
H7C H 0.256551 -0.091611 0.347128 0.031 Uiso 1 1 calc R U . . .
C8 C 0.57922(13) 0.02520(10) 0.31396(9) 0.0206(2) Uani 1 1 d . . . . .
H8A H 0.645533 0.044727 0.268118 0.031 Uiso 1 1 calc R U . . .
H8B H 0.612962 -0.018334 0.359625 0.031 Uiso 1 1 calc R U . . .
H8C H 0.545176 0.079465 0.333126 0.031 Uiso 1 1 calc R U . . .
C9 C 0.51001(17) -0.14506(10) 0.25336(9) 0.0262(3) Uani 1 1 d . . . . .
H9A H 0.446951 -0.170416 0.227656 0.039 Uiso 1 1 calc R U . . .
H9B H 0.525775 -0.189059 0.304644 0.039 Uiso 1 1 calc R U . . .
H9C H 0.587087 -0.134418 0.215101 0.039 Uiso 1 1 calc R U . . .
C10 C 0.01195(14) 0.24412(12) 0.05621(11) 0.0278(3) Uani 1 1 d . . . . .
H10A H -0.021136 0.184800 0.052471 0.042 Uiso 1 1 calc R U . . .
H10B H -0.038764 0.294806 0.028417 0.042 Uiso 1 1 calc R U . . .
H10C H 0.009851 0.245890 0.114583 0.042 Uiso 1 1 calc R U . . .
C11 C 0.23629(15) 0.37720(10) -0.00906(10) 0.0240(3) Uani 1 1 d . . . . .
H11A H 0.245245 0.388976 0.045203 0.036 Uiso 1 1 calc R U . . .
H11B H 0.177885 0.422029 -0.036581 0.036 Uiso 1 1 calc R U . . .
H11C H 0.317311 0.383439 -0.043113 0.036 Uiso 1 1 calc R U . . .
C12 C 0.17065(19) 0.23392(13) -0.10032(10) 0.0330(4) Uani 1 1 d . . . . .
H12A H 0.249165 0.253145 -0.135196 0.049 Uiso 1 1 calc R U . . .
H12B H 0.101935 0.268867 -0.125902 0.049 Uiso 1 1 calc R U . . .
H12C H 0.158057 0.167591 -0.094741 0.049 Uiso 1 1 calc R U . . .
C13 C 0.02013(11) 0.38831(9) 0.32807(8) 0.0159(2) Uani 1 1 d . . . . .
C14 C -0.00645(11) 0.38101(9) 0.41089(8) 0.0159(2) Uani 1 1 d . . . . .
C15 C 0.09896(11) 0.36560(9) 0.46319(7) 0.01478(19) Uani 1 1 d . . . . .
C16 C 0.21599(11) 0.35888(8) 0.42482(7) 0.01343(18) Uani 1 1 d . . . . .
C17 C -0.13629(13) 0.38382(12) 0.45513(9) 0.0247(3) Uani 1 1 d . . . . .
H17A H -0.195853 0.397267 0.414399 0.037 Uiso 1 1 calc R U . . .
H17B H -0.141359 0.432258 0.486441 0.037 Uiso 1 1 calc R U . . .
H17C H -0.155895 0.323756 0.493240 0.037 Uiso 1 1 calc R U . . .
C18 C 0.06674(14) 0.35626(12) 0.55523(8) 0.0236(3) Uani 1 1 d . . . . .
H18A H 0.141831 0.340792 0.582699 0.035 Uiso 1 1 calc R U . . .
H18B H 0.005168 0.307035 0.577245 0.035 Uiso 1 1 calc R U . . .
H18C H 0.032313 0.414902 0.565515 0.035 Uiso 1 1 calc R U . . .
C19 C -0.00206(16) 0.43831(13) 0.14554(9) 0.0289(3) Uani 1 1 d . . . . .
H19A H 0.026524 0.502201 0.136680 0.043 Uiso 1 1 calc R U . . .
H19B H -0.055221 0.434265 0.103270 0.043 Uiso 1 1 calc R U . . .
H19C H 0.069850 0.397243 0.141583 0.043 Uiso 1 1 calc R U . . .
C20 C -0.20987(17) 0.49686(14) 0.25767(11) 0.0345(4) Uani 1 1 d . . . . .
H20A H -0.267201 0.478160 0.308741 0.052 Uiso 1 1 calc R U . . .
H20B H -0.256575 0.507801 0.209784 0.052 Uiso 1 1 calc R U . . .
H20C H -0.167156 0.553841 0.258176 0.052 Uiso 1 1 calc R U . . .
C21 C -0.17240(16) 0.28985(13) 0.26347(12) 0.0324(3) Uani 1 1 d . . . . .
H21A H -0.110365 0.241209 0.259285 0.049 Uiso 1 1 calc R U . . .
H21B H -0.226702 0.294914 0.220005 0.049 Uiso 1 1 calc R U . . .
H21C H -0.222231 0.274235 0.317899 0.049 Uiso 1 1 calc R U . . .
C22 C 0.49944(13) 0.34161(13) 0.39704(10) 0.0264(3) Uani 1 1 d . . . . .
H22A H 0.493313 0.299952 0.360077 0.040 Uiso 1 1 calc R U . . .
H22B H 0.574208 0.326472 0.424912 0.040 Uiso 1 1 calc R U . . .
H22C H 0.504297 0.405790 0.364640 0.040 Uiso 1 1 calc R U . . .
C23 C 0.38441(17) 0.40125(15) 0.54987(12) 0.0348(4) Uani 1 1 d . . . . .
H23A H 0.371913 0.466520 0.523467 0.052 Uiso 1 1 calc R U . . .
H23B H 0.469304 0.392241 0.564572 0.052 Uiso 1 1 calc R U . . .
H23C H 0.325088 0.383460 0.600069 0.052 Uiso 1 1 calc R U . . .
C24 C 0.35007(17) 0.20297(12) 0.53371(10) 0.0294(3) Uani 1 1 d . . . . .
H24A H 0.281140 0.194978 0.578626 0.044 Uiso 1 1 calc R U . . .
H24B H 0.428065 0.184628 0.556969 0.044 Uiso 1 1 calc R U . . .
H24C H 0.336124 0.164223 0.495611 0.044 Uiso 1 1 calc R U . . .
C25 C 0.03997(10) 0.07335(8) 0.31047(7) 0.01302(18) Uani 1 1 d . . . . .
C26 C -0.07803(12) 0.03545(10) 0.34658(8) 0.0192(2) Uani 1 1 d . . . . .
H26 H -0.119627 -0.002065 0.319571 0.023 Uiso 1 1 calc R U . . .
C27 C -0.13260(13) 0.05261(11) 0.42037(9) 0.0229(3) Uani 1 1 d . . . . .
H27 H -0.211710 0.027143 0.444117 0.027 Uiso 1 1 calc R U . . .
C28 C -0.07162(13) 0.10749(11) 0.46030(8) 0.0214(2) Uani 1 1 d . . . . .
H28 H -0.107493 0.120341 0.511292 0.026 Uiso 1 1 calc R U . . .
C29 C 0.04245(12) 0.14212(9) 0.42276(8) 0.0173(2) Uani 1 1 d . . . . .
H29 H 0.085156 0.179378 0.449401 0.021 Uiso 1 1 calc R U . . .
C30 C 0.14994(15) -0.03552(13) 0.09656(11) 0.0295(3) Uani 1 1 d . . . . .
H30A H 0.147733 0.022771 0.054722 0.044 Uiso 1 1 calc R U . . .
H30B H 0.122879 -0.086278 0.074551 0.044 Uiso 1 1 calc R U . . .
H30C H 0.234889 -0.047522 0.110567 0.044 Uiso 1 1 calc R U . . .
C31 C -0.11565(13) 0.00228(11) 0.16098(10) 0.0231(3) Uani 1 1 d . . . . .
H31A H -0.140903 0.062754 0.171665 0.035 Uiso 1 1 calc R U . . .
H31B H -0.174394 -0.045066 0.193550 0.035 Uiso 1 1 calc R U . . .
H31C H -0.115090 0.004476 0.101901 0.035 Uiso 1 1 calc R U . . .
C32 C 0.04274(18) -0.14307(11) 0.26490(12) 0.0315(3) Uani 1 1 d . . . . .
H32A H 0.128330 -0.163872 0.271287 0.047 Uiso 1 1 calc R U . . .
H32B H -0.000107 -0.187631 0.243162 0.047 Uiso 1 1 calc R U . . .
H32C H -0.000742 -0.138539 0.318858 0.047 Uiso 1 1 calc R U . . .
C33 C 0.39942(11) 0.40018(8) 0.18744(7) 0.01241(18) Uani 1 1 d . . . . .
C34 C 0.47978(12) 0.45390(9) 0.12140(8) 0.0169(2) Uani 1 1 d . . . . .
H34 H 0.465277 0.518467 0.103466 0.020 Uiso 1 1 calc R U . . .
C35 C 0.57877(12) 0.41317(9) 0.08304(8) 0.0182(2) Uani 1 1 d . . . . .
H35 H 0.633117 0.449728 0.039419 0.022 Uiso 1 1 calc R U . . .
C36 C 0.59905(12) 0.31814(9) 0.10837(8) 0.0163(2) Uani 1 1 d . . . . .
H36 H 0.666883 0.288485 0.083073 0.020 Uiso 1 1 calc R U . . .
C37 C 0.51646(11) 0.26916(9) 0.17166(8) 0.01466(19) Uani 1 1 d . . . . .
H37 H 0.528876 0.204312 0.189369 0.018 Uiso 1 1 calc R U . . .
C38 C 0.1703(2) 0.58548(11) 0.29986(12) 0.0392(5) Uani 1 1 d . . . . .
H38A H 0.089987 0.570225 0.285388 0.059 Uiso 1 1 calc R U . . .
H38B H 0.172006 0.651468 0.299668 0.059 Uiso 1 1 calc R U . . .
H38C H 0.182116 0.548613 0.355145 0.059 Uiso 1 1 calc R U . . .
C39 C 0.26116(17) 0.62730(11) 0.11885(10) 0.0302(3) Uani 1 1 d . . . . .
H39A H 0.337587 0.635641 0.079889 0.045 Uiso 1 1 calc R U . . .
H39B H 0.227329 0.688000 0.123819 0.045 Uiso 1 1 calc R U . . .
H39C H 0.200117 0.593746 0.098455 0.045 Uiso 1 1 calc R U . . .
C40 C 0.44692(19) 0.59934(12) 0.24612(12) 0.0338(4) Uani 1 1 d . . . . .
H40A H 0.458411 0.571432 0.303874 0.051 Uiso 1 1 calc R U . . .
H40B H 0.445773 0.666932 0.237276 0.051 Uiso 1 1 calc R U . . .
H40C H 0.515463 0.580650 0.209302 0.051 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 1.9162(10) . ?
Ge1 C4 1.9609(12) . ?
Ge1 C1 1.9672(12) . ?
Ge1 Ge3 2.4664(2) . ?
Ge2 N3 1.9202(10) . ?
Ge2 C13 1.9597(12) . ?
Ge2 C16 1.9702(12) . ?
Ge2 Ge3 2.4682(2) . ?
Ge3 N2 2.2926(10) . ?
Ge3 N4 2.3578(10) . ?
Si1 C1 1.8644(12) . ?
Si1 C7 1.8707(14) . ?
Si1 C8 1.8738(14) . ?
Si1 C9 1.8760(15) . ?
Si2 C4 1.8594(12) . ?
Si2 C11 1.8708(15) . ?
Si2 C10 1.8714(16) . ?
Si2 C12 1.8789(16) . ?
Si3 C13 1.8615(13) . ?
Si3 C21 1.8651(19) . ?
Si3 C19 1.8685(16) . ?
Si3 C20 1.8793(17) . ?
Si4 C16 1.8645(12) . ?
Si4 C22 1.8675(16) . ?
Si4 C24 1.8758(17) . ?
Si4 C23 1.8773(16) . ?
Si5 N1 1.7643(11) . ?
Si5 C30 1.8620(16) . ?
Si5 C32 1.8694(16) . ?
Si5 C31 1.8768(14) . ?
Si6 N3 1.7657(11) . ?
Si6 C38 1.8525(17) . ?
Si6 C40 1.8683(19) . ?
Si6 C39 1.8786(16) . ?
N1 C25 1.3839(15) . ?
N2 C29 1.3473(16) . ?
N2 C25 1.3556(16) . ?
N3 C33 1.3805(15) . ?
N4 C37 1.3478(15) . ?
N4 C33 1.3546(15) . ?
C1 C2 1.3584(16) . ?
C2 C3 1.5018(17) . ?
C2 C5 1.5124(17) . ?
C3 C4 1.3612(17) . ?
C3 C6 1.5099(17) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
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 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
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 C14 1.3582(17) . ?
C14 C15 1.5056(18) . ?
C14 C17 1.5107(18) . ?
C15 C16 1.3604(17) . ?
C15 C18 1.5095(18) . ?
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 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
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 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
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 C26 1.4191(17) . ?
C26 C27 1.3752(19) . ?
C26 H26 0.9500 . ?
C27 C28 1.395(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.3731(18) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
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 C34 1.4171(17) . ?
C34 C35 1.3773(18) . ?
C34 H34 0.9500 . ?
C35 C36 1.3946(19) . ?
C35 H35 0.9500 . ?
C36 C37 1.3772(17) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?

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 C4 117.64(5) . . ?
N1 Ge1 C1 112.13(5) . . ?
C4 Ge1 C1 90.67(5) . . ?
N1 Ge1 Ge3 101.98(3) . . ?
C4 Ge1 Ge3 130.34(4) . . ?
C1 Ge1 Ge3 101.44(3) . . ?
N3 Ge2 C13 116.98(5) . . ?
N3 Ge2 C16 112.12(5) . . ?
C13 Ge2 C16 90.58(5) . . ?
N3 Ge2 Ge3 104.18(3) . . ?
C13 Ge2 Ge3 128.39(4) . . ?
C16 Ge2 Ge3 101.89(4) . . ?
N2 Ge3 N4 154.03(4) . . ?
N2 Ge3 Ge1 76.46(3) . . ?
N4 Ge3 Ge1 90.19(3) . . ?
N2 Ge3 Ge2 92.96(3) . . ?
N4 Ge3 Ge2 74.70(3) . . ?
Ge1 Ge3 Ge2 120.885(7) . . ?
C1 Si1 C7 109.88(6) . . ?
C1 Si1 C8 110.70(6) . . ?
C7 Si1 C8 107.95(7) . . ?
C1 Si1 C9 111.02(6) . . ?
C7 Si1 C9 106.67(7) . . ?
C8 Si1 C9 110.49(7) . . ?
C4 Si2 C11 109.16(6) . . ?
C4 Si2 C10 108.42(6) . . ?
C11 Si2 C10 112.28(8) . . ?
C4 Si2 C12 113.46(7) . . ?
C11 Si2 C12 108.38(8) . . ?
C10 Si2 C12 105.17(9) . . ?
C13 Si3 C21 108.67(7) . . ?
C13 Si3 C19 107.45(7) . . ?
C21 Si3 C19 111.15(9) . . ?
C13 Si3 C20 113.71(8) . . ?
C21 Si3 C20 110.10(9) . . ?
C19 Si3 C20 105.72(8) . . ?
C16 Si4 C22 110.35(6) . . ?
C16 Si4 C24 109.07(7) . . ?
C22 Si4 C24 108.07(8) . . ?
C16 Si4 C23 113.16(7) . . ?
C22 Si4 C23 106.93(8) . . ?
C24 Si4 C23 109.12(9) . . ?
N1 Si5 C30 110.11(6) . . ?
N1 Si5 C32 110.30(7) . . ?
C30 Si5 C32 107.28(9) . . ?
N1 Si5 C31 110.96(6) . . ?
C30 Si5 C31 108.24(8) . . ?
C32 Si5 C31 109.86(8) . . ?
N3 Si6 C38 109.49(7) . . ?
N3 Si6 C40 110.02(7) . . ?
C38 Si6 C40 108.62(10) . . ?
N3 Si6 C39 112.51(7) . . ?
C38 Si6 C39 106.45(9) . . ?
C40 Si6 C39 109.62(8) . . ?
C25 N1 Si5 121.18(8) . . ?
C25 N1 Ge1 116.49(8) . . ?
Si5 N1 Ge1 122.12(6) . . ?
C29 N2 C25 119.97(11) . . ?
C29 N2 Ge3 114.42(8) . . ?
C25 N2 Ge3 125.58(8) . . ?
C33 N3 Si6 120.62(8) . . ?
C33 N3 Ge2 115.96(8) . . ?
Si6 N3 Ge2 122.36(6) . . ?
C37 N4 C33 119.79(10) . . ?
C37 N4 Ge3 114.20(8) . . ?
C33 N4 Ge3 125.68(8) . . ?
C2 C1 Si1 127.70(9) . . ?
C2 C1 Ge1 105.16(8) . . ?
Si1 C1 Ge1 125.04(6) . . ?
C1 C2 C3 118.03(10) . . ?
C1 C2 C5 124.41(11) . . ?
C3 C2 C5 117.49(10) . . ?
C4 C3 C2 118.69(10) . . ?
C4 C3 C6 123.99(11) . . ?
C2 C3 C6 117.28(11) . . ?
C3 C4 Si2 127.01(9) . . ?
C3 C4 Ge1 104.83(8) . . ?
Si2 C4 Ge1 127.21(7) . . ?
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 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 Si3 127.20(9) . . ?
C14 C13 Ge2 105.59(9) . . ?
Si3 C13 Ge2 125.95(7) . . ?
C13 C14 C15 118.51(11) . . ?
C13 C14 C17 124.20(12) . . ?
C15 C14 C17 117.26(11) . . ?
C16 C15 C14 118.02(11) . . ?
C16 C15 C18 124.50(12) . . ?
C14 C15 C18 117.46(11) . . ?
C15 C16 Si4 126.50(9) . . ?
C15 C16 Ge2 105.52(8) . . ?
Si4 C16 Ge2 125.90(6) . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si3 C19 H19A 109.5 . . ?
Si3 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si3 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si3 C20 H20A 109.5 . . ?
Si3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si3 C21 H21A 109.5 . . ?
Si3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si4 C22 H22A 109.5 . . ?
Si4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si4 C23 H23A 109.5 . . ?
Si4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si4 C24 H24A 109.5 . . ?
Si4 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si4 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N2 C25 N1 118.95(10) . . ?
N2 C25 C26 118.55(11) . . ?
N1 C25 C26 122.50(11) . . ?
C27 C26 C25 120.50(12) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C26 C27 C28 119.90(12) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C29 C28 C27 117.16(12) . . ?
C29 C28 H28 121.4 . . ?
C27 C28 H28 121.4 . . ?
N2 C29 C28 123.93(12) . . ?
N2 C29 H29 118.0 . . ?
C28 C29 H29 118.0 . . ?
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 . . ?
Si5 C31 H31A 109.5 . . ?
Si5 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si5 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si5 C32 H32A 109.5 . . ?
Si5 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si5 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N4 C33 N3 118.89(10) . . ?
N4 C33 C34 118.78(11) . . ?
N3 C33 C34 122.33(11) . . ?
C35 C34 C33 120.46(12) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 119.86(11) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C37 C36 C35 117.10(11) . . ?
C37 C36 H36 121.4 . . ?
C35 C36 H36 121.4 . . ?
N4 C37 C36 123.95(12) . . ?
N4 C37 H37 118.0 . . ?
C36 C37 H37 118.0 . . ?
Si6 C38 H38A 109.5 . . ?
Si6 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si6 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si6 C39 H39A 109.5 . . ?
Si6 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si6 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si6 C40 H40A 109.5 . . ?
Si6 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si6 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?

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
C30 Si5 N1 C25 -175.77(11) . . . . ?
C32 Si5 N1 C25 -57.56(12) . . . . ?
C31 Si5 N1 C25 64.41(11) . . . . ?
C30 Si5 N1 Ge1 -1.12(10) . . . . ?
C32 Si5 N1 Ge1 117.10(9) . . . . ?
C31 Si5 N1 Ge1 -120.93(8) . . . . ?
C38 Si6 N3 C33 -170.73(12) . . . . ?
C40 Si6 N3 C33 -51.42(12) . . . . ?
C39 Si6 N3 C33 71.12(12) . . . . ?
C38 Si6 N3 Ge2 -2.97(11) . . . . ?
C40 Si6 N3 Ge2 116.34(9) . . . . ?
C39 Si6 N3 Ge2 -121.12(8) . . . . ?
C7 Si1 C1 C2 -175.02(11) . . . . ?
C8 Si1 C1 C2 65.83(13) . . . . ?
C9 Si1 C1 C2 -57.27(13) . . . . ?
C7 Si1 C1 Ge1 23.96(10) . . . . ?
C8 Si1 C1 Ge1 -95.18(8) . . . . ?
C9 Si1 C1 Ge1 141.72(8) . . . . ?
Si1 C1 C2 C3 -174.60(9) . . . . ?
Ge1 C1 C2 C3 -10.62(13) . . . . ?
Si1 C1 C2 C5 2.30(19) . . . . ?
Ge1 C1 C2 C5 166.27(10) . . . . ?
C1 C2 C3 C4 -0.68(17) . . . . ?
C5 C2 C3 C4 -177.80(12) . . . . ?
C1 C2 C3 C6 177.28(11) . . . . ?
C5 C2 C3 C6 0.17(17) . . . . ?
C2 C3 C4 Si2 -179.00(9) . . . . ?
C6 C3 C4 Si2 3.18(19) . . . . ?
C2 C3 C4 Ge1 11.57(13) . . . . ?
C6 C3 C4 Ge1 -166.25(10) . . . . ?
C11 Si2 C4 C3 -73.49(13) . . . . ?
C10 Si2 C4 C3 163.92(12) . . . . ?
C12 Si2 C4 C3 47.48(14) . . . . ?
C11 Si2 C4 Ge1 93.64(9) . . . . ?
C10 Si2 C4 Ge1 -28.95(10) . . . . ?
C12 Si2 C4 Ge1 -145.39(9) . . . . ?
C21 Si3 C13 C14 -73.73(14) . . . . ?
C19 Si3 C13 C14 165.90(13) . . . . ?
C20 Si3 C13 C14 49.26(15) . . . . ?
C21 Si3 C13 Ge2 91.54(10) . . . . ?
C19 Si3 C13 Ge2 -28.83(11) . . . . ?
C20 Si3 C13 Ge2 -145.47(9) . . . . ?
Si3 C13 C14 C15 177.29(10) . . . . ?
Ge2 C13 C14 C15 9.63(14) . . . . ?
Si3 C13 C14 C17 -0.3(2) . . . . ?
Ge2 C13 C14 C17 -168.01(12) . . . . ?
C13 C14 C15 C16 -0.59(18) . . . . ?
C17 C14 C15 C16 177.21(12) . . . . ?
C13 C14 C15 C18 -179.09(13) . . . . ?
C17 C14 C15 C18 -1.28(18) . . . . ?
C14 C15 C16 Si4 -173.00(9) . . . . ?
C18 C15 C16 Si4 5.38(19) . . . . ?
C14 C15 C16 Ge2 -8.77(14) . . . . ?
C18 C15 C16 Ge2 169.61(11) . . . . ?
C22 Si4 C16 C15 -173.11(12) . . . . ?
C24 Si4 C16 C15 68.32(13) . . . . ?
C23 Si4 C16 C15 -53.34(14) . . . . ?
C22 Si4 C16 Ge2 25.75(10) . . . . ?
C24 Si4 C16 Ge2 -92.82(9) . . . . ?
C23 Si4 C16 Ge2 145.52(9) . . . . ?
C29 N2 C25 N1 -179.94(11) . . . . ?
Ge3 N2 C25 N1 2.37(16) . . . . ?
C29 N2 C25 C26 0.01(18) . . . . ?
Ge3 N2 C25 C26 -177.68(9) . . . . ?
Si5 N1 C25 N2 167.72(9) . . . . ?
Ge1 N1 C25 N2 -7.22(14) . . . . ?
Si5 N1 C25 C26 -12.23(16) . . . . ?
Ge1 N1 C25 C26 172.83(10) . . . . ?
N2 C25 C26 C27 0.2(2) . . . . ?
N1 C25 C26 C27 -179.87(13) . . . . ?
C25 C26 C27 C28 -0.2(2) . . . . ?
C26 C27 C28 C29 -0.1(2) . . . . ?
C25 N2 C29 C28 -0.2(2) . . . . ?
Ge3 N2 C29 C28 177.70(11) . . . . ?
C27 C28 C29 N2 0.3(2) . . . . ?
C37 N4 C33 N3 -177.27(11) . . . . ?
Ge3 N4 C33 N3 9.68(15) . . . . ?
C37 N4 C33 C34 2.38(17) . . . . ?
Ge3 N4 C33 C34 -170.66(9) . . . . ?
Si6 N3 C33 N4 162.91(9) . . . . ?
Ge2 N3 C33 N4 -5.60(14) . . . . ?
Si6 N3 C33 C34 -16.74(16) . . . . ?
Ge2 N3 C33 C34 174.75(9) . . . . ?
N4 C33 C34 C35 -2.41(19) . . . . ?
N3 C33 C34 C35 177.24(12) . . . . ?
C33 C34 C35 C36 1.0(2) . . . . ?
C34 C35 C36 C37 0.30(19) . . . . ?
C33 N4 C37 C36 -1.07(18) . . . . ?
Ge3 N4 C37 C36 172.74(10) . . . . ?
C35 C36 C37 N4 -0.32(19) . . . . ?

_refine_diff_density_max         0.931
_refine_diff_density_min         -0.719
_refine_diff_density_rms         0.082



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lch28
_database_code_depnum_ccdc_archive 'CCDC 2392569'
loop_
_audit_author_name
_audit_author_address
'Marc Schmidtmann'
;Carl von Ossietzky Universitaet Oldenburg
Germany
;
_audit_update_record             
;
2024-10-21 deposited with the CCDC.	2024-12-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_structural     GeClC4(CH3)2(Si(CH3)3)2(C5H4N2Si(CH3)3)
_chemical_formula_sum            'C20 H37 Cl Ge N2 Si3'
_chemical_formula_weight         497.82

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'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.2981(5)
_cell_length_b                   15.1609(7)
_cell_length_c                   17.3330(8)
_cell_angle_alpha                90
_cell_angle_beta                 99.0183(19)
_cell_angle_gamma                90
_cell_volume                     2672.7(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9186
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      39.99

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.237
_exptl_crystal_F_000             1048
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.389
_shelx_estimated_absorpt_T_min   0.862
_shelx_estimated_absorpt_T_max   0.897
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9290
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS-2016/2 (Sheldrick)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'I\mS microfocus'
_diffrn_measurement_device_type  'Bruker Photon III CPAD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            202917
_diffrn_reflns_av_unetI/netI     0.0184
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.794
_diffrn_reflns_theta_max         40.248
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             16828
_reflns_number_gt                14550
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT V8.40B'
_computing_data_reduction        'Bruker SAINT V8.40B'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0250P)²+0.5000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16828
_refine_ls_number_parameters     255
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0222
_refine_ls_wR_factor_ref         0.0586
_refine_ls_wR_factor_gt          0.0560
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.29161(2) 0.46956(2) 0.30441(2) 0.01207(1) Uani 1 1 d . . . . .
Cl1 Cl 0.47301(2) 0.53641(2) 0.27777(2) 0.01751(3) Uani 1 1 d . . . . .
Si1 Si 0.39838(2) 0.26324(2) 0.33313(2) 0.01391(3) Uani 1 1 d . . . . .
Si2 Si 0.16707(2) 0.65359(2) 0.37692(2) 0.01901(3) Uani 1 1 d . . . . .
Si3 Si 0.24277(2) 0.46528(2) 0.11111(2) 0.01737(3) Uani 1 1 d . . . . .
N1 N 0.19346(5) 0.46291(4) 0.20414(3) 0.01521(8) Uani 1 1 d . . . . .
N2 N 0.05450(6) 0.42783(4) 0.28912(3) 0.01873(9) Uani 1 1 d . . . . .
C1 C 0.34902(6) 0.37059(4) 0.37222(3) 0.01384(8) Uani 1 1 d . . . . .
C2 C 0.33856(6) 0.40189(4) 0.44438(3) 0.01531(9) Uani 1 1 d . . . . .
C3 C 0.28762(6) 0.49499(4) 0.45258(4) 0.01568(9) Uani 1 1 d . . . . .
C4 C 0.24793(6) 0.54336(4) 0.38734(4) 0.01518(9) Uani 1 1 d . . . . .
C5 C 0.37236(9) 0.34943(5) 0.51875(4) 0.02465(13) Uani 1 1 d . . . . .
H5A H 0.293992 0.343477 0.543930 0.037 Uiso 1 1 calc R U . . .
H5B H 0.441516 0.379963 0.554119 0.037 Uiso 1 1 calc R U . . .
H5C H 0.403542 0.290767 0.506523 0.037 Uiso 1 1 calc R U . . .
C6 C 0.28335(8) 0.52830(5) 0.53420(4) 0.02333(12) Uani 1 1 d . . . . .
H6A H 0.250477 0.589053 0.531678 0.035 Uiso 1 1 calc R U . . .
H6B H 0.372020 0.526707 0.564542 0.035 Uiso 1 1 calc R U . . .
H6C H 0.224799 0.490753 0.559368 0.035 Uiso 1 1 calc R U . . .
C7 C 0.27039(8) 0.23213(5) 0.24866(5) 0.02430(13) Uani 1 1 d . . . . .
H7A H 0.186342 0.222262 0.267097 0.036 Uiso 1 1 calc R U . . .
H7B H 0.297226 0.177989 0.224589 0.036 Uiso 1 1 calc R U . . .
H7C H 0.260547 0.279846 0.210042 0.036 Uiso 1 1 calc R U . . .
C8 C 0.41260(8) 0.16829(5) 0.40296(5) 0.02262(12) Uani 1 1 d . . . . .
H8A H 0.485776 0.178801 0.445394 0.034 Uiso 1 1 calc R U . . .
H8B H 0.428780 0.113932 0.375381 0.034 Uiso 1 1 calc R U . . .
H8C H 0.330705 0.162423 0.424674 0.034 Uiso 1 1 calc R U . . .
C9 C 0.56007(7) 0.27950(5) 0.29932(5) 0.02155(11) Uani 1 1 d . . . . .
H9A H 0.554660 0.330376 0.264086 0.032 Uiso 1 1 calc R U . . .
H9B H 0.582199 0.226603 0.271599 0.032 Uiso 1 1 calc R U . . .
H9C H 0.628259 0.290068 0.344537 0.032 Uiso 1 1 calc R U . . .
C10 C 0.11797(8) 0.67878(5) 0.27088(5) 0.02540(13) Uani 1 1 d . . . . .
H10A H 0.194707 0.673242 0.244178 0.038 Uiso 1 1 calc R U . . .
H10B H 0.083663 0.739091 0.264844 0.038 Uiso 1 1 calc R U . . .
H10C H 0.049783 0.637208 0.247985 0.038 Uiso 1 1 calc R U . . .
C11 C 0.01402(10) 0.65000(7) 0.42290(7) 0.0396(2) Uani 1 1 d . . . . .
H11A H -0.040481 0.599979 0.401711 0.059 Uiso 1 1 calc R U . . .
H11B H -0.035361 0.704946 0.411459 0.059 Uiso 1 1 calc R U . . .
H11C H 0.037931 0.643187 0.479577 0.059 Uiso 1 1 calc R U . . .
C12 C 0.28016(11) 0.74277(6) 0.42076(7) 0.0382(2) Uani 1 1 d . . . . .
H12A H 0.304840 0.732147 0.476912 0.057 Uiso 1 1 calc R U . . .
H12B H 0.235696 0.799923 0.412473 0.057 Uiso 1 1 calc R U . . .
H12C H 0.359331 0.743073 0.395901 0.057 Uiso 1 1 calc R U . . .
C13 C 0.41001(8) 0.41789(6) 0.11251(4) 0.02727(15) Uani 1 1 d . . . . .
H13A H 0.474476 0.453298 0.146909 0.041 Uiso 1 1 calc R U . . .
H13B H 0.431906 0.418327 0.059488 0.041 Uiso 1 1 calc R U . . .
H13C H 0.411635 0.357098 0.131862 0.041 Uiso 1 1 calc R U . . .
C14 C 0.23675(9) 0.58072(6) 0.07421(5) 0.02916(15) Uani 1 1 d . . . . .
H14A H 0.148239 0.604711 0.073637 0.044 Uiso 1 1 calc R U . . .
H14B H 0.258307 0.581470 0.021119 0.044 Uiso 1 1 calc R U . . .
H14C H 0.300546 0.616776 0.108459 0.044 Uiso 1 1 calc R U . . .
C15 C 0.13090(9) 0.39221(6) 0.04360(5) 0.02931(16) Uani 1 1 d . . . . .
H15A H 0.133186 0.332391 0.065207 0.044 Uiso 1 1 calc R U . . .
H15B H 0.159988 0.390799 -0.007577 0.044 Uiso 1 1 calc R U . . .
H15C H 0.040930 0.415154 0.037816 0.044 Uiso 1 1 calc R U . . .
C16 C 0.06370(6) 0.45491(4) 0.21650(4) 0.01567(9) Uani 1 1 d . . . . .
C17 C -0.04863(7) 0.47788(5) 0.16316(5) 0.02431(13) Uani 1 1 d . . . . .
H17 H -0.041597 0.497076 0.111809 0.029 Uiso 1 1 calc R U . . .
C18 C -0.17012(8) 0.47158(6) 0.18799(6) 0.03055(17) Uani 1 1 d . . . . .
H18 H -0.247776 0.486058 0.153056 0.037 Uiso 1 1 calc R U . . .
C19 C -0.17902(8) 0.44423(6) 0.26364(6) 0.03061(17) Uani 1 1 d . . . . .
H19 H -0.261590 0.439975 0.281300 0.037 Uiso 1 1 calc R U . . .
C20 C -0.06350(8) 0.42353(6) 0.31207(5) 0.02601(14) Uani 1 1 d . . . . .
H20 H -0.067969 0.405389 0.364046 0.031 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 1.8713(5) . ?
Ge1 C4 1.9294(6) . ?
Ge1 C1 1.9402(6) . ?
Ge1 Cl1 2.23628(19) . ?
Si1 C1 1.8640(6) . ?
Si1 C9 1.8662(7) . ?
Si1 C7 1.8703(7) . ?
Si1 C8 1.8717(7) . ?
Si2 C4 1.8633(6) . ?
Si2 C12 1.8667(9) . ?
Si2 C10 1.8676(8) . ?
Si2 C11 1.8752(9) . ?
Si3 N1 1.7653(6) . ?
Si3 C14 1.8611(8) . ?
Si3 C13 1.8628(8) . ?
Si3 C15 1.8712(8) . ?
N1 C16 1.3914(8) . ?
N2 C20 1.3381(9) . ?
N2 C16 1.3414(9) . ?
C1 C2 1.3578(8) . ?
C2 C5 1.5082(9) . ?
C2 C3 1.5202(9) . ?
C3 C4 1.3560(9) . ?
C3 C6 1.5091(9) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
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 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
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 1.4066(9) . ?
C17 C18 1.3886(12) . ?
C17 H17 0.9500 . ?
C18 C19 1.3920(15) . ?
C18 H18 0.9500 . ?
C19 C20 1.3803(13) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?

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 C4 124.62(3) . . ?
N1 Ge1 C1 126.15(2) . . ?
C4 Ge1 C1 94.69(3) . . ?
N1 Ge1 Cl1 100.353(17) . . ?
C4 Ge1 Cl1 101.00(2) . . ?
C1 Ge1 Cl1 106.888(18) . . ?
C1 Si1 C9 107.84(3) . . ?
C1 Si1 C7 107.81(3) . . ?
C9 Si1 C7 109.97(4) . . ?
C1 Si1 C8 115.76(3) . . ?
C9 Si1 C8 108.75(3) . . ?
C7 Si1 C8 106.65(4) . . ?
C4 Si2 C12 111.68(4) . . ?
C4 Si2 C10 109.07(3) . . ?
C12 Si2 C10 107.93(5) . . ?
C4 Si2 C11 108.99(4) . . ?
C12 Si2 C11 111.12(6) . . ?
C10 Si2 C11 107.96(5) . . ?
N1 Si3 C14 109.52(4) . . ?
N1 Si3 C13 112.21(3) . . ?
C14 Si3 C13 110.37(4) . . ?
N1 Si3 C15 108.79(3) . . ?
C14 Si3 C15 110.97(4) . . ?
C13 Si3 C15 104.90(4) . . ?
C16 N1 Si3 124.27(4) . . ?
C16 N1 Ge1 104.70(4) . . ?
Si3 N1 Ge1 131.03(3) . . ?
C20 N2 C16 119.66(6) . . ?
C2 C1 Si1 134.88(5) . . ?
C2 C1 Ge1 103.13(4) . . ?
Si1 C1 Ge1 121.98(3) . . ?
C1 C2 C5 124.20(6) . . ?
C1 C2 C3 119.27(5) . . ?
C5 C2 C3 116.52(5) . . ?
C4 C3 C6 123.47(6) . . ?
C4 C3 C2 119.17(5) . . ?
C6 C3 C2 117.35(6) . . ?
C3 C4 Si2 129.61(5) . . ?
C3 C4 Ge1 103.45(4) . . ?
Si2 C4 Ge1 126.92(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 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 N1 112.45(5) . . ?
N2 C16 C17 121.38(6) . . ?
N1 C16 C17 126.01(6) . . ?
C18 C17 C16 117.87(8) . . ?
C18 C17 H17 121.1 . . ?
C16 C17 H17 121.1 . . ?
C17 C18 C19 120.53(8) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C20 C19 C18 117.57(7) . . ?
C20 C19 H19 121.2 . . ?
C18 C19 H19 121.2 . . ?
N2 C20 C19 122.99(8) . . ?
N2 C20 H20 118.5 . . ?
C19 C20 H20 118.5 . . ?

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
C14 Si3 N1 C16 87.46(6) . . . . ?
C13 Si3 N1 C16 -149.59(6) . . . . ?
C15 Si3 N1 C16 -33.98(6) . . . . ?
C14 Si3 N1 Ge1 -92.67(5) . . . . ?
C13 Si3 N1 Ge1 30.27(6) . . . . ?
C15 Si3 N1 Ge1 145.89(5) . . . . ?
C4 Ge1 N1 C16 -46.30(5) . . . . ?
C1 Ge1 N1 C16 82.54(5) . . . . ?
Cl1 Ge1 N1 C16 -157.52(4) . . . . ?
C4 Ge1 N1 Si3 133.81(4) . . . . ?
C1 Ge1 N1 Si3 -97.35(5) . . . . ?
Cl1 Ge1 N1 Si3 22.60(4) . . . . ?
C9 Si1 C1 C2 -109.98(7) . . . . ?
C7 Si1 C1 C2 131.32(7) . . . . ?
C8 Si1 C1 C2 12.04(8) . . . . ?
C9 Si1 C1 Ge1 71.78(4) . . . . ?
C7 Si1 C1 Ge1 -46.92(5) . . . . ?
C8 Si1 C1 Ge1 -166.20(4) . . . . ?
Si1 C1 C2 C5 1.63(11) . . . . ?
Ge1 C1 C2 C5 -179.90(6) . . . . ?
Si1 C1 C2 C3 -177.28(5) . . . . ?
Ge1 C1 C2 C3 1.19(7) . . . . ?
C1 C2 C3 C4 3.04(9) . . . . ?
C5 C2 C3 C4 -175.95(6) . . . . ?
C1 C2 C3 C6 -177.37(6) . . . . ?
C5 C2 C3 C6 3.64(9) . . . . ?
C6 C3 C4 Si2 -5.99(10) . . . . ?
C2 C3 C4 Si2 173.57(5) . . . . ?
C6 C3 C4 Ge1 175.20(6) . . . . ?
C2 C3 C4 Ge1 -5.24(7) . . . . ?
C12 Si2 C4 C3 67.80(8) . . . . ?
C10 Si2 C4 C3 -172.99(6) . . . . ?
C11 Si2 C4 C3 -55.35(8) . . . . ?
C12 Si2 C4 Ge1 -113.65(6) . . . . ?
C10 Si2 C4 Ge1 5.56(5) . . . . ?
C11 Si2 C4 Ge1 123.20(5) . . . . ?
C20 N2 C16 N1 174.81(6) . . . . ?
C20 N2 C16 C17 -0.90(10) . . . . ?
Si3 N1 C16 N2 160.77(5) . . . . ?
Ge1 N1 C16 N2 -19.13(6) . . . . ?
Si3 N1 C16 C17 -23.75(9) . . . . ?
Ge1 N1 C16 C17 156.35(6) . . . . ?
N2 C16 C17 C18 -0.06(11) . . . . ?
N1 C16 C17 C18 -175.17(7) . . . . ?
C16 C17 C18 C19 0.66(12) . . . . ?
C17 C18 C19 C20 -0.31(13) . . . . ?
C16 N2 C20 C19 1.30(12) . . . . ?
C18 C19 C20 N2 -0.69(13) . . . . ?

_refine_diff_density_max         0.734
_refine_diff_density_min         -0.425
_refine_diff_density_rms         0.054



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lch314
_database_code_depnum_ccdc_archive 'CCDC 2392570'
loop_
_audit_author_name
_audit_author_address
'Marc Schmidtmann'
;Carl von Ossietzky Universitaet Oldenburg
Germany
;
_audit_update_record             
;
2024-10-21 deposited with the CCDC.	2024-12-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_structural     (GeC4(CH3)3(Si(CH3)3)2)2Sn(C5H4N2Si(CH3)3)2
_chemical_formula_sum            'C40 H74 Ge2 N4 Si6 Sn'
_chemical_formula_weight         1043.44

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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'
'-x, -y, -z'

_cell_length_a                   11.9907(7)
_cell_length_b                   14.3069(8)
_cell_length_c                   15.3368(8)
_cell_angle_alpha                79.3746(19)
_cell_angle_beta                 84.9106(19)
_cell_angle_gamma                89.631(2)
_cell_volume                     2575.6(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9959
_cell_measurement_theta_min      2.67
_cell_measurement_theta_max      40.29

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_F_000             1080
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.810
_shelx_estimated_absorpt_T_min   0.786
_shelx_estimated_absorpt_T_max   0.840
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9181
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS-2016/2 (Sheldrick)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'I\mS microfocus'
_diffrn_measurement_device_type  'Bruker Photon III CPAD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            336545
_diffrn_reflns_av_unetI/netI     0.0165
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.356
_diffrn_reflns_theta_max         40.249
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             32397
_reflns_number_gt                29390
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT V8.40B'
_computing_data_reduction        'Bruker SAINT V8.40B'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0200P)²+0.5000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         32397
_refine_ls_number_parameters     500
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0214
_refine_ls_R_factor_gt           0.0176
_refine_ls_wR_factor_ref         0.0466
_refine_ls_wR_factor_gt          0.0452
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Sn1 Sn 0.32226(2) 0.14665(2) 0.28907(2) 0.01289(1) Uani 1 1 d . . . . .
Ge1 Ge 0.17932(2) 0.14347(2) 0.16553(2) 0.01118(1) Uani 1 1 d . . . . .
Ge2 Ge 0.35073(2) 0.30984(2) 0.34455(2) 0.01087(1) Uani 1 1 d . . . . .
Si1 Si 0.24955(2) -0.09210(2) 0.18598(2) 0.01411(3) Uani 1 1 d . . . . .
Si2 Si 0.13038(2) 0.33701(2) 0.00387(2) 0.01713(3) Uani 1 1 d . . . . .
Si3 Si 0.14680(2) 0.47554(2) 0.31496(2) 0.01869(3) Uani 1 1 d . . . . .
Si4 Si 0.51755(2) 0.19824(2) 0.50150(2) 0.01476(3) Uani 1 1 d . . . . .
Si5 Si -0.08587(2) 0.09288(2) 0.19146(2) 0.01690(3) Uani 1 1 d . . . . .
Si6 Si 0.54159(2) 0.47126(2) 0.27818(2) 0.01389(3) Uani 1 1 d . . . . .
N1 N 0.03619(4) 0.12791(4) 0.23448(3) 0.01407(8) Uani 1 1 d . . . . .
N2 N 0.12989(5) 0.13475(4) 0.36287(4) 0.01704(9) Uani 1 1 d . . . . .
N3 N 0.46618(4) 0.37231(4) 0.25883(3) 0.01251(7) Uani 1 1 d . . . . .
N4 N 0.45423(4) 0.24681(4) 0.17843(4) 0.01416(8) Uani 1 1 d . . . . .
C1 C 0.23130(5) 0.02904(4) 0.11992(4) 0.01263(8) Uani 1 1 d . . . . .
C2 C 0.26820(5) 0.06038(4) 0.03292(4) 0.01304(8) Uani 1 1 d . . . . .
C3 C 0.24055(5) 0.16007(4) -0.00842(4) 0.01432(9) Uani 1 1 d . . . . .
C4 C 0.18083(5) 0.21456(4) 0.04296(4) 0.01445(9) Uani 1 1 d . . . . .
C5 C 0.33726(6) 0.00179(5) -0.02436(4) 0.01780(10) Uani 1 1 d . . . . .
H5A H 0.413183 0.028583 -0.037832 0.027 Uiso 1 1 calc R U . . .
H5B H 0.302549 0.002800 -0.080018 0.027 Uiso 1 1 calc R U . . .
H5C H 0.340723 -0.063941 0.007700 0.027 Uiso 1 1 calc R U . . .
C6 C 0.28111(7) 0.19393(5) -0.10526(4) 0.02169(12) Uani 1 1 d . . . . .
H6A H 0.361663 0.182588 -0.114084 0.033 Uiso 1 1 calc R U . . .
H6B H 0.266763 0.262115 -0.121987 0.033 Uiso 1 1 calc R U . . .
H6C H 0.241207 0.159037 -0.142466 0.033 Uiso 1 1 calc R U . . .
C7 C 0.17346(6) -0.10037(5) 0.29898(5) 0.02144(12) Uani 1 1 d . . . . .
H7A H 0.213090 -0.062196 0.333567 0.032 Uiso 1 1 calc R U . . .
H7B H 0.170141 -0.166886 0.329628 0.032 Uiso 1 1 calc R U . . .
H7C H 0.097267 -0.076361 0.292970 0.032 Uiso 1 1 calc R U . . .
C8 C 0.40074(6) -0.12076(6) 0.19856(5) 0.02412(13) Uani 1 1 d . . . . .
H8A H 0.441198 -0.116487 0.139543 0.036 Uiso 1 1 calc R U . . .
H8B H 0.406758 -0.185380 0.232606 0.036 Uiso 1 1 calc R U . . .
H8C H 0.433301 -0.075390 0.230108 0.036 Uiso 1 1 calc R U . . .
C9 C 0.18589(9) -0.18400(6) 0.13203(6) 0.02933(16) Uani 1 1 d . . . . .
H9A H 0.105800 -0.171603 0.128446 0.044 Uiso 1 1 calc R U . . .
H9B H 0.195895 -0.247338 0.167553 0.044 Uiso 1 1 calc R U . . .
H9C H 0.222744 -0.181056 0.071928 0.044 Uiso 1 1 calc R U . . .
C10 C 0.02049(7) 0.36710(6) 0.08794(7) 0.02979(16) Uani 1 1 d . . . . .
H10A H -0.049088 0.333047 0.084256 0.045 Uiso 1 1 calc R U . . .
H10B H 0.007265 0.435759 0.076005 0.045 Uiso 1 1 calc R U . . .
H10C H 0.045574 0.348305 0.147723 0.045 Uiso 1 1 calc R U . . .
C11 C 0.25039(7) 0.42339(6) -0.01620(6) 0.02536(14) Uani 1 1 d . . . . .
H11A H 0.293386 0.414018 0.036122 0.038 Uiso 1 1 calc R U . . .
H11B H 0.221768 0.488441 -0.026887 0.038 Uiso 1 1 calc R U . . .
H11C H 0.298918 0.412988 -0.068336 0.038 Uiso 1 1 calc R U . . .
C12 C 0.06148(9) 0.34769(7) -0.10308(7) 0.03391(19) Uani 1 1 d . . . . .
H12A H 0.116670 0.335575 -0.150680 0.051 Uiso 1 1 calc R U . . .
H12B H 0.031742 0.411951 -0.118984 0.051 Uiso 1 1 calc R U . . .
H12C H 0.000156 0.301109 -0.095258 0.051 Uiso 1 1 calc R U . . .
C13 C 0.23807(5) 0.39494(5) 0.38587(4) 0.01593(9) Uani 1 1 d . . . . .
C14 C 0.23071(5) 0.37270(5) 0.47634(4) 0.01728(10) Uani 1 1 d . . . . .
C15 C 0.31643(5) 0.30758(5) 0.51960(4) 0.01483(9) Uani 1 1 d . . . . .
C16 C 0.39789(5) 0.27468(4) 0.46575(4) 0.01297(8) Uani 1 1 d . . . . .
C17 C 0.14199(7) 0.41044(7) 0.53634(5) 0.03054(18) Uani 1 1 d . . . . .
H17A H 0.176998 0.451681 0.570766 0.046 Uiso 1 1 calc R U . . .
H17B H 0.103723 0.357176 0.577124 0.046 Uiso 1 1 calc R U . . .
H17C H 0.087582 0.447007 0.500137 0.046 Uiso 1 1 calc R U . . .
C18 C 0.30563(6) 0.28192(5) 0.62034(4) 0.02068(11) Uani 1 1 d . . . . .
H18A H 0.296265 0.340002 0.645447 0.031 Uiso 1 1 calc R U . . .
H18B H 0.373290 0.249048 0.640429 0.031 Uiso 1 1 calc R U . . .
H18C H 0.240334 0.240121 0.640321 0.031 Uiso 1 1 calc R U . . .
C19 C 0.20837(7) 0.48628(7) 0.19722(5) 0.02891(16) Uani 1 1 d . . . . .
H19A H 0.282997 0.515589 0.190922 0.043 Uiso 1 1 calc R U . . .
H19B H 0.160093 0.525947 0.157428 0.043 Uiso 1 1 calc R U . . .
H19C H 0.214318 0.422934 0.181571 0.043 Uiso 1 1 calc R U . . .
C20 C 0.14523(8) 0.59781(6) 0.34312(7) 0.02913(15) Uani 1 1 d . . . . .
H20A H 0.117215 0.594036 0.405682 0.044 Uiso 1 1 calc R U . . .
H20B H 0.096286 0.638775 0.304959 0.044 Uiso 1 1 calc R U . . .
H20C H 0.221368 0.624455 0.333414 0.044 Uiso 1 1 calc R U . . .
C21 C 0.00133(6) 0.42540(7) 0.32553(6) 0.02706(14) Uani 1 1 d . . . . .
H21A H 0.003848 0.361969 0.309918 0.041 Uiso 1 1 calc R U . . .
H21B H -0.044435 0.467159 0.285201 0.041 Uiso 1 1 calc R U . . .
H21C H -0.031544 0.420839 0.387011 0.041 Uiso 1 1 calc R U . . .
C22 C 0.60337(6) 0.17237(5) 0.40086(5) 0.02016(11) Uani 1 1 d . . . . .
H22A H 0.557074 0.138625 0.366879 0.030 Uiso 1 1 calc R U . . .
H22B H 0.667059 0.132725 0.419541 0.030 Uiso 1 1 calc R U . . .
H22C H 0.630916 0.232228 0.363447 0.030 Uiso 1 1 calc R U . . .
C23 C 0.61208(7) 0.26327(6) 0.56223(6) 0.02616(14) Uani 1 1 d . . . . .
H23A H 0.649661 0.316034 0.520303 0.039 Uiso 1 1 calc R U . . .
H23B H 0.668265 0.219428 0.588609 0.039 Uiso 1 1 calc R U . . .
H23C H 0.567548 0.288223 0.609407 0.039 Uiso 1 1 calc R U . . .
C24 C 0.46798(8) 0.08379(5) 0.57451(5) 0.02518(13) Uani 1 1 d . . . . .
H24A H 0.428625 0.097108 0.629603 0.038 Uiso 1 1 calc R U . . .
H24B H 0.532420 0.043187 0.588905 0.038 Uiso 1 1 calc R U . . .
H24C H 0.416955 0.051180 0.543233 0.038 Uiso 1 1 calc R U . . .
C25 C 0.03351(5) 0.13688(5) 0.32300(4) 0.01509(9) Uani 1 1 d . . . . .
C26 C -0.06903(6) 0.14801(7) 0.37363(5) 0.02405(14) Uani 1 1 d . . . . .
H26 H -0.137161 0.152170 0.345976 0.029 Uiso 1 1 calc R U . . .
C27 C -0.07046(7) 0.15282(8) 0.46254(5) 0.03210(19) Uani 1 1 d . . . . .
H27 H -0.139486 0.159093 0.496385 0.039 Uiso 1 1 calc R U . . .
C28 C 0.02964(7) 0.14844(8) 0.50272(5) 0.03188(19) Uani 1 1 d . . . . .
H28 H 0.030745 0.150897 0.564119 0.038 Uiso 1 1 calc R U . . .
C29 C 0.12673(6) 0.14044(7) 0.44997(4) 0.02424(14) Uani 1 1 d . . . . .
H29 H 0.195664 0.138813 0.476317 0.029 Uiso 1 1 calc R U . . .
C30 C -0.04556(7) 0.06802(10) 0.07885(7) 0.0418(3) Uani 1 1 d . . . . .
H30A H -0.015549 0.126171 0.039942 0.063 Uiso 1 1 calc R U . . .
H30B H -0.111457 0.046120 0.054523 0.063 Uiso 1 1 calc R U . . .
H30C H 0.011697 0.018602 0.082411 0.063 Uiso 1 1 calc R U . . .
C31 C -0.19818(7) 0.18533(7) 0.18245(7) 0.03022(16) Uani 1 1 d . . . . .
H31A H -0.172606 0.241306 0.203810 0.045 Uiso 1 1 calc R U . . .
H31B H -0.266191 0.159282 0.218731 0.045 Uiso 1 1 calc R U . . .
H31C H -0.214376 0.203668 0.120112 0.045 Uiso 1 1 calc R U . . .
C32 C -0.14541(8) -0.01877(7) 0.26325(8) 0.0352(2) Uani 1 1 d . . . . .
H32A H -0.095419 -0.071916 0.256507 0.053 Uiso 1 1 calc R U . . .
H32B H -0.219250 -0.031872 0.245200 0.053 Uiso 1 1 calc R U . . .
H32C H -0.152764 -0.010998 0.325661 0.053 Uiso 1 1 calc R U . . .
C33 C 0.49031(5) 0.33551(4) 0.18201(4) 0.01238(8) Uani 1 1 d . . . . .
C34 C 0.55240(6) 0.38849(5) 0.10621(4) 0.01772(10) Uani 1 1 d . . . . .
H34 H 0.576202 0.451496 0.107059 0.021 Uiso 1 1 calc R U . . .
C35 C 0.57859(6) 0.34959(5) 0.03136(4) 0.02043(11) Uani 1 1 d . . . . .
H35 H 0.621706 0.385083 -0.018637 0.025 Uiso 1 1 calc R U . . .
C36 C 0.54163(6) 0.25796(5) 0.02920(5) 0.02048(11) Uani 1 1 d . . . . .
H36 H 0.558478 0.229528 -0.021649 0.025 Uiso 1 1 calc R U . . .
C37 C 0.47963(6) 0.21036(5) 0.10392(5) 0.01817(10) Uani 1 1 d . . . . .
H37 H 0.453117 0.148139 0.103020 0.022 Uiso 1 1 calc R U . . .
C38 C 0.50847(8) 0.48732(6) 0.39471(5) 0.02477(14) Uani 1 1 d . . . . .
H38A H 0.427610 0.495695 0.405911 0.037 Uiso 1 1 calc R U . . .
H38B H 0.548125 0.543653 0.404483 0.037 Uiso 1 1 calc R U . . .
H38C H 0.532133 0.431096 0.435406 0.037 Uiso 1 1 calc R U . . .
C39 C 0.50381(7) 0.58704(5) 0.20811(5) 0.02190(12) Uani 1 1 d . . . . .
H39A H 0.509783 0.580890 0.145283 0.033 Uiso 1 1 calc R U . . .
H39B H 0.555076 0.637199 0.216216 0.033 Uiso 1 1 calc R U . . .
H39C H 0.426834 0.603482 0.226265 0.033 Uiso 1 1 calc R U . . .
C40 C 0.69573(6) 0.44967(6) 0.26231(5) 0.02258(12) Uani 1 1 d . . . . .
H40A H 0.716754 0.398384 0.309524 0.034 Uiso 1 1 calc R U . . .
H40B H 0.736963 0.507874 0.264896 0.034 Uiso 1 1 calc R U . . .
H40C H 0.714077 0.431465 0.204207 0.034 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Sn1 N4 2.4684(5) . ?
Sn1 N2 2.4701(6) . ?
Sn1 Ge2 2.66196(14) . ?
Sn1 Ge1 2.67195(13) . ?
Ge1 N1 1.9260(5) . ?
Ge1 C4 1.9641(6) . ?
Ge1 C1 1.9721(6) . ?
Ge2 N3 1.9243(5) . ?
Ge2 C13 1.9545(6) . ?
Ge2 C16 1.9662(6) . ?
Si1 C1 1.8615(6) . ?
Si1 C7 1.8695(7) . ?
Si1 C8 1.8749(8) . ?
Si1 C9 1.8768(8) . ?
Si2 C4 1.8595(6) . ?
Si2 C10 1.8655(9) . ?
Si2 C11 1.8700(8) . ?
Si2 C12 1.8822(9) . ?
Si3 C13 1.8555(7) . ?
Si3 C19 1.8687(8) . ?
Si3 C21 1.8725(8) . ?
Si3 C20 1.8771(9) . ?
Si4 C16 1.8584(6) . ?
Si4 C22 1.8714(7) . ?
Si4 C24 1.8726(8) . ?
Si4 C23 1.8810(8) . ?
Si5 N1 1.7696(6) . ?
Si5 C30 1.8490(8) . ?
Si5 C32 1.8708(9) . ?
Si5 C31 1.8775(9) . ?
Si6 N3 1.7689(5) . ?
Si6 C38 1.8517(7) . ?
Si6 C40 1.8738(8) . ?
Si6 C39 1.8773(7) . ?
N1 C25 1.3846(8) . ?
N2 C29 1.3505(9) . ?
N2 C25 1.3522(8) . ?
N3 C33 1.3840(7) . ?
N4 C37 1.3516(8) . ?
N4 C33 1.3556(8) . ?
C1 C2 1.3619(8) . ?
C2 C3 1.4979(9) . ?
C2 C5 1.5145(9) . ?
C3 C4 1.3641(9) . ?
C3 C6 1.5121(9) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
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 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
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 C14 1.3602(9) . ?
C14 C15 1.4984(9) . ?
C14 C17 1.5073(9) . ?
C15 C16 1.3609(8) . ?
C15 C18 1.5148(9) . ?
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 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
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 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
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 C26 1.4190(9) . ?
C26 C27 1.3765(10) . ?
C26 H26 0.9500 . ?
C27 C28 1.3930(12) . ?
C27 H27 0.9500 . ?
C28 C29 1.3742(11) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
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 C34 1.4174(8) . ?
C34 C35 1.3767(9) . ?
C34 H34 0.9500 . ?
C35 C36 1.3937(10) . ?
C35 H35 0.9500 . ?
C36 C37 1.3773(10) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?

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
N4 Sn1 N2 144.748(19) . . ?
N4 Sn1 Ge2 71.992(12) . . ?
N2 Sn1 Ge2 89.446(15) . . ?
N4 Sn1 Ge1 90.631(13) . . ?
N2 Sn1 Ge1 71.583(13) . . ?
Ge2 Sn1 Ge1 117.998(3) . . ?
N1 Ge1 C4 116.59(2) . . ?
N1 Ge1 C1 114.14(2) . . ?
C4 Ge1 C1 90.06(2) . . ?
N1 Ge1 Sn1 102.883(16) . . ?
C4 Ge1 Sn1 130.619(18) . . ?
C1 Ge1 Sn1 100.150(17) . . ?
N3 Ge2 C13 114.63(3) . . ?
N3 Ge2 C16 113.70(2) . . ?
C13 Ge2 C16 90.33(3) . . ?
N3 Ge2 Sn1 102.427(15) . . ?
C13 Ge2 Sn1 129.14(2) . . ?
C16 Ge2 Sn1 105.829(18) . . ?
C1 Si1 C7 109.24(3) . . ?
C1 Si1 C8 112.06(3) . . ?
C7 Si1 C8 109.02(4) . . ?
C1 Si1 C9 110.34(3) . . ?
C7 Si1 C9 107.00(4) . . ?
C8 Si1 C9 109.04(4) . . ?
C4 Si2 C10 109.04(3) . . ?
C4 Si2 C11 110.09(4) . . ?
C10 Si2 C11 111.83(4) . . ?
C4 Si2 C12 112.27(4) . . ?
C10 Si2 C12 105.88(5) . . ?
C11 Si2 C12 107.69(4) . . ?
C13 Si3 C19 107.22(3) . . ?
C13 Si3 C21 110.70(4) . . ?
C19 Si3 C21 109.40(4) . . ?
C13 Si3 C20 111.15(4) . . ?
C19 Si3 C20 107.51(5) . . ?
C21 Si3 C20 110.72(4) . . ?
C16 Si4 C22 109.34(3) . . ?
C16 Si4 C24 111.28(3) . . ?
C22 Si4 C24 109.51(4) . . ?
C16 Si4 C23 110.08(3) . . ?
C22 Si4 C23 106.68(4) . . ?
C24 Si4 C23 109.84(4) . . ?
N1 Si5 C30 108.00(3) . . ?
N1 Si5 C32 109.91(4) . . ?
C30 Si5 C32 108.35(6) . . ?
N1 Si5 C31 113.78(4) . . ?
C30 Si5 C31 108.25(5) . . ?
C32 Si5 C31 108.41(5) . . ?
N3 Si6 C38 109.74(3) . . ?
N3 Si6 C40 109.85(3) . . ?
C38 Si6 C40 107.56(4) . . ?
N3 Si6 C39 113.69(3) . . ?
C38 Si6 C39 104.98(4) . . ?
C40 Si6 C39 110.75(4) . . ?
C25 N1 Si5 120.12(4) . . ?
C25 N1 Ge1 117.24(4) . . ?
Si5 N1 Ge1 122.39(3) . . ?
C29 N2 C25 119.80(6) . . ?
C29 N2 Sn1 112.60(4) . . ?
C25 N2 Sn1 126.87(4) . . ?
C33 N3 Si6 120.90(4) . . ?
C33 N3 Ge2 117.53(4) . . ?
Si6 N3 Ge2 121.56(3) . . ?
C37 N4 C33 119.67(5) . . ?
C37 N4 Sn1 113.42(4) . . ?
C33 N4 Sn1 126.43(4) . . ?
C2 C1 Si1 126.63(5) . . ?
C2 C1 Ge1 105.46(4) . . ?
Si1 C1 Ge1 127.13(3) . . ?
C1 C2 C3 117.85(5) . . ?
C1 C2 C5 124.35(6) . . ?
C3 C2 C5 117.79(5) . . ?
C4 C3 C2 118.49(5) . . ?
C4 C3 C6 124.07(6) . . ?
C2 C3 C6 117.44(5) . . ?
C3 C4 Si2 125.68(5) . . ?
C3 C4 Ge1 105.32(4) . . ?
Si2 C4 Ge1 128.52(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 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 Si3 127.75(5) . . ?
C14 C13 Ge2 105.63(4) . . ?
Si3 C13 Ge2 126.05(3) . . ?
C13 C14 C15 118.38(5) . . ?
C13 C14 C17 124.01(6) . . ?
C15 C14 C17 117.61(6) . . ?
C16 C15 C14 117.83(5) . . ?
C16 C15 C18 124.46(6) . . ?
C14 C15 C18 117.70(5) . . ?
C15 C16 Si4 126.76(5) . . ?
C15 C16 Ge2 105.52(4) . . ?
Si4 C16 Ge2 127.23(3) . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si3 C19 H19A 109.5 . . ?
Si3 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si3 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si3 C20 H20A 109.5 . . ?
Si3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si3 C21 H21A 109.5 . . ?
Si3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si4 C22 H22A 109.5 . . ?
Si4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si4 C23 H23A 109.5 . . ?
Si4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si4 C24 H24A 109.5 . . ?
Si4 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si4 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N2 C25 N1 119.93(5) . . ?
N2 C25 C26 118.76(6) . . ?
N1 C25 C26 121.31(6) . . ?
C27 C26 C25 120.47(7) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C26 C27 C28 119.77(7) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C29 C28 C27 117.32(7) . . ?
C29 C28 H28 121.3 . . ?
C27 C28 H28 121.3 . . ?
N2 C29 C28 123.83(7) . . ?
N2 C29 H29 118.1 . . ?
C28 C29 H29 118.1 . . ?
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 . . ?
Si5 C31 H31A 109.5 . . ?
Si5 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si5 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si5 C32 H32A 109.5 . . ?
Si5 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si5 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N4 C33 N3 119.77(5) . . ?
N4 C33 C34 118.71(5) . . ?
N3 C33 C34 121.52(5) . . ?
C35 C34 C33 120.69(6) . . ?
C35 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C34 C35 C36 119.76(6) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C37 C36 C35 117.18(6) . . ?
C37 C36 H36 121.4 . . ?
C35 C36 H36 121.4 . . ?
N4 C37 C36 123.96(6) . . ?
N4 C37 H37 118.0 . . ?
C36 C37 H37 118.0 . . ?
Si6 C38 H38A 109.5 . . ?
Si6 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si6 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si6 C39 H39A 109.5 . . ?
Si6 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si6 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si6 C40 H40A 109.5 . . ?
Si6 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si6 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?

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
C30 Si5 N1 C25 -170.17(7) . . . . ?
C32 Si5 N1 C25 -52.15(7) . . . . ?
C31 Si5 N1 C25 69.63(6) . . . . ?
C30 Si5 N1 Ge1 3.96(6) . . . . ?
C32 Si5 N1 Ge1 121.98(5) . . . . ?
C31 Si5 N1 Ge1 -116.24(4) . . . . ?
C38 Si6 N3 C33 -168.93(5) . . . . ?
C40 Si6 N3 C33 -50.88(6) . . . . ?
C39 Si6 N3 C33 73.85(6) . . . . ?
C38 Si6 N3 Ge2 9.43(5) . . . . ?
C40 Si6 N3 Ge2 127.49(4) . . . . ?
C39 Si6 N3 Ge2 -107.78(4) . . . . ?
C7 Si1 C1 C2 -175.56(6) . . . . ?
C8 Si1 C1 C2 63.52(6) . . . . ?
C9 Si1 C1 C2 -58.19(7) . . . . ?
C7 Si1 C1 Ge1 16.07(5) . . . . ?
C8 Si1 C1 Ge1 -104.85(4) . . . . ?
C9 Si1 C1 Ge1 133.44(5) . . . . ?
Si1 C1 C2 C3 177.73(4) . . . . ?
Ge1 C1 C2 C3 -11.86(6) . . . . ?
Si1 C1 C2 C5 -3.50(9) . . . . ?
Ge1 C1 C2 C5 166.91(5) . . . . ?
C1 C2 C3 C4 0.49(8) . . . . ?
C5 C2 C3 C4 -178.37(6) . . . . ?
C1 C2 C3 C6 -179.53(6) . . . . ?
C5 C2 C3 C6 1.61(8) . . . . ?
C2 C3 C4 Si2 -176.21(4) . . . . ?
C6 C3 C4 Si2 3.81(10) . . . . ?
C2 C3 C4 Ge1 11.23(7) . . . . ?
C6 C3 C4 Ge1 -168.75(5) . . . . ?
C10 Si2 C4 C3 163.80(6) . . . . ?
C11 Si2 C4 C3 -73.17(6) . . . . ?
C12 Si2 C4 C3 46.80(7) . . . . ?
C10 Si2 C4 Ge1 -25.39(6) . . . . ?
C11 Si2 C4 Ge1 97.64(5) . . . . ?
C12 Si2 C4 Ge1 -142.40(5) . . . . ?
C19 Si3 C13 C14 174.30(7) . . . . ?
C21 Si3 C13 C14 -66.43(8) . . . . ?
C20 Si3 C13 C14 57.06(8) . . . . ?
C19 Si3 C13 Ge2 -15.65(6) . . . . ?
C21 Si3 C13 Ge2 103.62(5) . . . . ?
C20 Si3 C13 Ge2 -132.89(5) . . . . ?
Si3 C13 C14 C15 -178.23(5) . . . . ?
Ge2 C13 C14 C15 10.12(8) . . . . ?
Si3 C13 C14 C17 1.09(12) . . . . ?
Ge2 C13 C14 C17 -170.57(7) . . . . ?
C13 C14 C15 C16 0.51(10) . . . . ?
C17 C14 C15 C16 -178.85(7) . . . . ?
C13 C14 C15 C18 -178.76(6) . . . . ?
C17 C14 C15 C18 1.88(10) . . . . ?
C14 C15 C16 Si4 176.89(5) . . . . ?
C18 C15 C16 Si4 -3.88(10) . . . . ?
C14 C15 C16 Ge2 -10.75(7) . . . . ?
C18 C15 C16 Ge2 168.47(6) . . . . ?
C22 Si4 C16 C15 179.25(6) . . . . ?
C24 Si4 C16 C15 58.15(7) . . . . ?
C23 Si4 C16 C15 -63.87(7) . . . . ?
C22 Si4 C16 Ge2 8.51(5) . . . . ?
C24 Si4 C16 Ge2 -112.59(4) . . . . ?
C23 Si4 C16 Ge2 125.39(5) . . . . ?
C29 N2 C25 N1 -177.87(7) . . . . ?
Sn1 N2 C25 N1 12.59(9) . . . . ?
C29 N2 C25 C26 1.88(11) . . . . ?
Sn1 N2 C25 C26 -167.66(6) . . . . ?
Si5 N1 C25 N2 159.84(5) . . . . ?
Ge1 N1 C25 N2 -14.60(8) . . . . ?
Si5 N1 C25 C26 -19.91(9) . . . . ?
Ge1 N1 C25 C26 165.66(6) . . . . ?
N2 C25 C26 C27 -2.48(13) . . . . ?
N1 C25 C26 C27 177.26(8) . . . . ?
C25 C26 C27 C28 1.16(16) . . . . ?
C26 C27 C28 C29 0.71(16) . . . . ?
C25 N2 C29 C28 0.04(13) . . . . ?
Sn1 N2 C29 C28 170.98(8) . . . . ?
C27 C28 C29 N2 -1.37(16) . . . . ?
C37 N4 C33 N3 -178.80(6) . . . . ?
Sn1 N4 C33 N3 9.72(8) . . . . ?
C37 N4 C33 C34 1.15(9) . . . . ?
Sn1 N4 C33 C34 -170.34(5) . . . . ?
Si6 N3 C33 N4 162.52(4) . . . . ?
Ge2 N3 C33 N4 -15.91(7) . . . . ?
Si6 N3 C33 C34 -17.42(8) . . . . ?
Ge2 N3 C33 C34 164.14(5) . . . . ?
N4 C33 C34 C35 -1.99(10) . . . . ?
N3 C33 C34 C35 177.96(6) . . . . ?
C33 C34 C35 C36 1.44(11) . . . . ?
C34 C35 C36 C37 -0.08(11) . . . . ?
C33 N4 C37 C36 0.23(10) . . . . ?
Sn1 N4 C37 C36 172.76(6) . . . . ?
C35 C36 C37 N4 -0.78(11) . . . . ?

_refine_diff_density_max         0.990
_refine_diff_density_min         -0.781
_refine_diff_density_rms         0.061


