# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_sh5583_a
_database_code_depnum_ccdc_archive 'CCDC 2427550'
loop_
_audit_author_name
_audit_author_address
'Bernd Morgenstern'
;Universitaet des Saarlandes
Germany
;
_audit_update_record             
;
2025-02-27 deposited with the CCDC.	2025-04-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C72 H122 Ge2 N8 O2 Si2, 6(C6 H6)'
_chemical_formula_sum            'C108 H158 Ge2 N8 O2 Si2'
_chemical_formula_weight         1801.77

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'
Ge Ge 0.1547 1.8001 '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'

_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                   12.0604(6)
_cell_length_b                   12.6790(6)
_cell_length_c                   19.5103(10)
_cell_angle_alpha                84.472(2)
_cell_angle_beta                 73.288(2)
_cell_angle_gamma                66.037(2)
_cell_volume                     2610.4(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    133(2)
_cell_measurement_reflns_used    9901
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      26.93

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.146
_exptl_crystal_F_000             970
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    0.649
_shelx_estimated_absorpt_T_min   0.892
_shelx_estimated_absorpt_T_max   0.994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6765
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      133(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC I?S microfocus sealed tube'
_diffrn_measurement_device_type  'Bruker AXS D8 Venture, Photon II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            95589
_diffrn_reflns_av_unetI/netI     0.0452
_diffrn_reflns_av_R_equivalents  0.0796
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.921
_diffrn_reflns_theta_max         27.171
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             11547
_reflns_number_gt                9046
_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       'APEX 4 (Bruker, 2021)'
_computing_cell_refinement       'SAINT  (Bruker, 2019)'
_computing_data_reduction        'SAINT  (Bruker, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  
;
SHELXL-2019/1 (Sheldrick, 2019),                                              
SHELXLe Rev 1370 (Huebschle et al., 2011)
;
_computing_molecular_graphics    'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2019)'
_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)+(0.0251P)²+2.1522P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11547
_refine_ls_number_parameters     677
_refine_ls_number_restraints     606
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0401
_refine_ls_wR_factor_ref         0.0876
_refine_ls_wR_factor_gt          0.0792
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.001
_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 0.35900(2) 0.67528(2) 0.73224(2) 0.01765(6) Uani 1 1 d . . . . .
Si1 Si 0.04463(5) 0.74223(5) 0.94878(3) 0.01997(12) Uani 1 1 d . . . . .
O1 O 0.29760(14) 0.70270(13) 0.88675(7) 0.0261(3) Uani 1 1 d . . . . .
N1 N -0.06994(17) 0.84645(15) 1.10139(9) 0.0233(4) Uani 1 1 d . . . . .
N2 N 0.12534(16) 0.72339(14) 0.85595(9) 0.0189(3) Uani 1 1 d . . . . .
N3 N 0.59043(16) 0.57517(15) 0.79705(9) 0.0223(4) Uani 1 1 d . . . . .
N4 N 0.57361(16) 0.73490(15) 0.74231(9) 0.0214(4) Uani 1 1 d . . . . .
C1 C 0.02405(18) 0.88656(17) 0.97884(10) 0.0192(4) Uani 1 1 d . . . . .
C2 C -0.03532(18) 0.92610(17) 1.05005(11) 0.0198(4) Uani 1 1 d . . . . .
C3 C -0.05814(19) 1.03638(18) 1.07024(11) 0.0204(4) Uani 1 1 d . . . . .
H3 H -0.098212 1.060530 1.118962 0.024 Uiso 1 1 calc R U . . .
C4 C 0.0142(3) 0.8035(2) 1.14781(12) 0.0364(6) Uani 1 1 d . . . . .
H4A H 0.101732 0.768691 1.118455 0.055 Uiso 1 1 calc R U . . .
H4B H -0.006536 0.745344 1.179445 0.055 Uiso 1 1 calc R U . . .
H4C H 0.003774 0.867679 1.176715 0.055 Uiso 1 1 calc R U . . .
C5 C -0.2008(2) 0.8987(2) 1.14415(14) 0.0381(6) Uani 1 1 d . . . . .
H5A H -0.255753 0.931857 1.112385 0.057 Uiso 1 1 calc R U . . .
H5B H -0.210534 0.959777 1.175409 0.057 Uiso 1 1 calc R U . . .
H5C H -0.223966 0.839697 1.173422 0.057 Uiso 1 1 calc R U . . .
C6 C 0.1262(2) 0.6158(2) 0.99902(12) 0.0339(5) Uani 1 1 d . . . . .
H6A H 0.153063 0.544586 0.971668 0.051 Uiso 1 1 calc R U . . .
H6B H 0.068279 0.613635 1.045612 0.051 Uiso 1 1 calc R U . . .
H6C H 0.200192 0.622581 1.006226 0.051 Uiso 1 1 calc R U . . .
C7 C -0.1146(2) 0.7462(2) 0.95615(12) 0.0316(5) Uani 1 1 d . . . . .
H7A H -0.157587 0.809717 0.927919 0.047 Uiso 1 1 calc R U . . .
H7B H -0.164213 0.757967 1.006418 0.047 Uiso 1 1 calc R U . . .
H7C H -0.105730 0.672939 0.937970 0.047 Uiso 1 1 calc R U . . .
C8 C 0.0017(2) 0.8575(2) 0.77774(12) 0.0308(5) Uani 1 1 d . . . . .
H8A H 0.065091 0.890718 0.760827 0.046 Uiso 1 1 calc R U . . .
H8B H -0.063981 0.902802 0.819095 0.046 Uiso 1 1 calc R U . . .
H8C H -0.036275 0.858947 0.739302 0.046 Uiso 1 1 calc R U . . .
C9 C 0.06397(19) 0.73380(18) 0.79939(11) 0.0217(4) Uani 1 1 d . . . . .
H9A H -0.000582 0.700785 0.816127 0.026 Uiso 1 1 calc R U . . .
H9B H 0.127632 0.687929 0.756858 0.026 Uiso 1 1 calc R U . . .
C10 C 0.25345(19) 0.69647(17) 0.83798(11) 0.0200(4) Uani 1 1 d . . . . .
C11 C 0.42807(19) 0.50530(17) 0.70013(10) 0.0194(4) Uani 1 1 d . . . . .
C12 C 0.38049(19) 0.42046(17) 0.72996(11) 0.0209(4) Uani 1 1 d . . . . .
C13 C 0.4375(2) 0.30960(18) 0.69915(11) 0.0259(5) Uani 1 1 d . . . . .
H13 H 0.402721 0.254848 0.719359 0.031 Uiso 1 1 calc R U . . .
C14 C 0.5424(2) 0.27589(18) 0.64058(11) 0.0257(5) Uani 1 1 d . . . . .
C15 C 0.5885(2) 0.35907(18) 0.61056(11) 0.0253(5) Uani 1 1 d . . . . .
H15 H 0.659646 0.338717 0.569801 0.030 Uiso 1 1 calc R U . . .
C16 C 0.5332(2) 0.47142(18) 0.63860(10) 0.0211(4) Uani 1 1 d . . . . .
C17 C 0.5939(2) 0.55408(18) 0.60127(11) 0.0236(4) Uani 1 1 d . . . . .
H17 H 0.545190 0.630041 0.627685 0.028 Uiso 1 1 calc R U . . .
C18 C 0.5864(2) 0.5745(2) 0.52414(12) 0.0347(5) Uani 1 1 d . . . . .
H18A H 0.625732 0.628212 0.502249 0.052 Uiso 1 1 calc R U . . .
H18B H 0.497803 0.607524 0.523478 0.052 Uiso 1 1 calc R U . . .
H18C H 0.630825 0.501036 0.497106 0.052 Uiso 1 1 calc R U . . .
C19 C 0.7305(2) 0.5123(2) 0.60479(13) 0.0334(5) Uani 1 1 d . . . . .
H19A H 0.781374 0.438561 0.578398 0.050 Uiso 1 1 calc R U . . .
H19B H 0.732817 0.501946 0.654869 0.050 Uiso 1 1 calc R U . . .
H19C H 0.764802 0.569632 0.583348 0.050 Uiso 1 1 calc R U . . .
C20 C 0.2702(2) 0.44119(19) 0.79655(11) 0.0261(5) Uani 1 1 d . . . . .
H20 H 0.242431 0.521628 0.814595 0.031 Uiso 1 1 calc R U . . .
C21 C 0.3089(2) 0.3586(2) 0.85618(12) 0.0332(5) Uani 1 1 d . . . . .
H21A H 0.338110 0.278821 0.839651 0.050 Uiso 1 1 calc R U . . .
H21B H 0.236292 0.375306 0.898468 0.050 Uiso 1 1 calc R U . . .
H21C H 0.377139 0.369005 0.868554 0.050 Uiso 1 1 calc R U . . .
C22 C 0.1575(2) 0.4318(2) 0.78063(14) 0.0358(6) Uani 1 1 d . . . . .
H22A H 0.131140 0.486815 0.743735 0.054 Uiso 1 1 calc R U . . .
H22B H 0.087467 0.449337 0.824372 0.054 Uiso 1 1 calc R U . . .
H22C H 0.181620 0.353225 0.763580 0.054 Uiso 1 1 calc R U . . .
C23 C 0.6085(2) 0.15108(19) 0.61418(13) 0.0335(5) Uani 1 1 d . . . . .
H23 H 0.554833 0.109767 0.641446 0.040 Uiso 1 1 calc R U . . .
C24 C 0.7350(3) 0.0944(2) 0.63160(19) 0.0563(8) Uani 1 1 d . . . . .
H24A H 0.773160 0.012175 0.618213 0.084 Uiso 1 1 calc R U . . .
H24B H 0.722069 0.103010 0.683024 0.084 Uiso 1 1 calc R U . . .
H24C H 0.791021 0.131529 0.604769 0.084 Uiso 1 1 calc R U . . .
C25 C 0.6236(3) 0.1365(2) 0.53493(14) 0.0531(8) Uani 1 1 d . . . . .
H25A H 0.676171 0.175855 0.506409 0.080 Uiso 1 1 calc R U . . .
H25B H 0.540496 0.170137 0.525755 0.080 Uiso 1 1 calc R U . . .
H25C H 0.663959 0.054183 0.521669 0.080 Uiso 1 1 calc R U . . .
C26 C 0.51673(19) 0.65940(17) 0.76247(10) 0.0192(4) Uani 1 1 d . . . . .
C27 C 0.6843(2) 0.6962(2) 0.76354(12) 0.0264(5) Uani 1 1 d . . . . .
C28 C 0.6943(2) 0.5967(2) 0.79808(12) 0.0282(5) Uani 1 1 d . . . . .
C29 C 0.7723(2) 0.7565(2) 0.75002(14) 0.0379(6) Uani 1 1 d . . . . .
H29A H 0.854646 0.701886 0.755196 0.057 Uiso 1 1 calc R U . . .
H29B H 0.737740 0.820624 0.784646 0.057 Uiso 1 1 calc R U . . .
H29C H 0.782287 0.786306 0.701386 0.057 Uiso 1 1 calc R U . . .
C30 C 0.7959(3) 0.5235(3) 0.83180(17) 0.0504(8) Uani 1 1 d . . . . .
H30A H 0.822452 0.442214 0.819297 0.076 Uiso 1 1 calc R U . . .
H30B H 0.764019 0.534578 0.883926 0.076 Uiso 1 1 calc R U . . .
H30C H 0.868021 0.545623 0.814385 0.076 Uiso 1 1 calc R U . . .
C31 C 0.5174(2) 0.84550(18) 0.70783(12) 0.0270(5) Uani 1 1 d . . . . .
H31 H 0.432124 0.852824 0.706818 0.032 Uiso 1 1 calc R U . . .
C32 C 0.5917(3) 0.8470(2) 0.63034(13) 0.0359(6) Uani 1 1 d . . . . .
H32A H 0.597258 0.782912 0.603355 0.054 Uiso 1 1 calc R U . . .
H32B H 0.676832 0.838812 0.628708 0.054 Uiso 1 1 calc R U . . .
H32C H 0.548950 0.920275 0.609101 0.054 Uiso 1 1 calc R U . . .
C33 C 0.4963(2) 0.9475(2) 0.75258(13) 0.0366(6) Uani 1 1 d . . . . .
H33A H 0.576232 0.956020 0.744658 0.055 Uiso 1 1 calc R U . . .
H33B H 0.464554 0.933985 0.803374 0.055 Uiso 1 1 calc R U . . .
H33C H 0.434557 1.018124 0.738492 0.055 Uiso 1 1 calc R U . . .
C34 C 0.5585(2) 0.47715(19) 0.83076(11) 0.0253(5) Uani 1 1 d . . . . .
H34 H 0.475283 0.490143 0.823348 0.030 Uiso 1 1 calc R U . . .
C35 C 0.5393(2) 0.4778(2) 0.91135(12) 0.0332(5) Uani 1 1 d . . . . .
H35A H 0.500642 0.423674 0.933343 0.050 Uiso 1 1 calc R U . . .
H35B H 0.483831 0.555712 0.931145 0.050 Uiso 1 1 calc R U . . .
H35C H 0.620963 0.454472 0.921432 0.050 Uiso 1 1 calc R U . . .
C36 C 0.6521(2) 0.3622(2) 0.79404(13) 0.0325(5) Uani 1 1 d . . . . .
H36A H 0.655944 0.365713 0.743051 0.049 Uiso 1 1 calc R U . . .
H36B H 0.624883 0.300701 0.815947 0.049 Uiso 1 1 calc R U . . .
H36C H 0.735756 0.345957 0.799465 0.049 Uiso 1 1 calc R U . . .
C37 C 0.9467(4) 0.7149(3) 0.35505(17) 0.0611(8) Uani 1 1 d . . . . .
H37 H 0.994713 0.633877 0.351895 0.073 Uiso 1 1 calc R U . . .
C38 C 0.8184(4) 0.7561(3) 0.37166(19) 0.0694(10) Uani 1 1 d . . . . .
H38 H 0.777212 0.704315 0.380898 0.083 Uiso 1 1 calc R U . . .
C39 C 0.7490(4) 0.8740(4) 0.3749(2) 0.0782(11) Uani 1 1 d . . . . .
H39 H 0.659557 0.903890 0.386043 0.094 Uiso 1 1 calc R U . . .
C40 C 0.8108(4) 0.9479(3) 0.36191(18) 0.0683(10) Uani 1 1 d . . . . .
H40 H 0.764168 1.029104 0.363437 0.082 Uiso 1 1 calc R U . . .
C41 C 0.9389(4) 0.9039(3) 0.34688(16) 0.0584(8) Uani 1 1 d . . . . .
H41 H 0.981181 0.954791 0.339075 0.070 Uiso 1 1 calc R U . . .
C42 C 1.0067(3) 0.7881(3) 0.34295(15) 0.0559(8) Uani 1 1 d . . . . .
H42 H 1.096127 0.758197 0.331747 0.067 Uiso 1 1 calc R U . . .
C43 C -0.0167(11) 0.6699(11) 0.5492(7) 0.051(2) Uani 0.60(2) 1 d D U P A 1
H43 H -0.066036 0.639618 0.533826 0.061 Uiso 0.60(2) 1 calc R U P A 1
C44 C -0.0321(17) 0.7830(13) 0.5359(12) 0.052(2) Uani 0.60(2) 1 d D U P A 1
H44 H -0.092599 0.831193 0.511919 0.062 Uiso 0.60(2) 1 calc R U P A 1
C45 C 0.0414(14) 0.8253(10) 0.5577(9) 0.053(3) Uani 0.60(2) 1 d D U P A 1
H45 H 0.032889 0.902602 0.547842 0.063 Uiso 0.60(2) 1 calc R U P A 1
C46 C 0.1271(10) 0.7557(10) 0.5938(6) 0.0452(19) Uani 0.60(2) 1 d D U P A 1
H46 H 0.175759 0.786020 0.609877 0.054 Uiso 0.60(2) 1 calc R U P A 1
C47 C 0.1427(9) 0.6424(9) 0.6068(5) 0.0424(19) Uani 0.60(2) 1 d D U P A 1
H47 H 0.203100 0.593857 0.630667 0.051 Uiso 0.60(2) 1 calc R U P A 1
C48 C 0.0692(12) 0.6008(7) 0.5845(5) 0.047(2) Uani 0.60(2) 1 d D U P A 1
H48 H 0.078369 0.523206 0.593725 0.057 Uiso 0.60(2) 1 calc R U P A 1
C43B C 0.0255(16) 0.6078(12) 0.5732(8) 0.048(3) Uani 0.40(2) 1 d D U P A 2
H43B H 0.010320 0.539239 0.577456 0.057 Uiso 0.40(2) 1 calc R U P A 2
C44B C -0.0426(16) 0.7024(16) 0.5395(10) 0.046(3) Uani 0.40(2) 1 d D U P A 2
H44B H -0.104549 0.698946 0.519799 0.055 Uiso 0.40(2) 1 calc R U P A 2
C45B C -0.021(3) 0.8020(17) 0.5344(18) 0.050(3) Uani 0.40(2) 1 d D U P A 2
H45B H -0.067016 0.866543 0.510431 0.060 Uiso 0.40(2) 1 calc R U P A 2
C46B C 0.067(2) 0.8081(15) 0.5640(13) 0.048(3) Uani 0.40(2) 1 d D U P A 2
H46B H 0.078659 0.878120 0.562327 0.058 Uiso 0.40(2) 1 calc R U P A 2
C47B C 0.1382(15) 0.7134(19) 0.5959(9) 0.050(3) Uani 0.40(2) 1 d D U P A 2
H47B H 0.201508 0.716702 0.614472 0.060 Uiso 0.40(2) 1 calc R U P A 2
C48B C 0.1169(14) 0.6144(14) 0.6007(7) 0.049(3) Uani 0.40(2) 1 d D U P A 2
H48B H 0.165299 0.549232 0.623210 0.058 Uiso 0.40(2) 1 calc R U P A 2
C49 C 0.3269(5) 0.8457(6) 0.0091(3) 0.0410(13) Uani 0.785(10) 1 d D U P B 1
H49 H 0.258291 0.837778 -0.001194 0.049 Uiso 0.785(10) 1 calc R U P B 1
C50 C 0.3087(6) 0.8975(6) 0.0721(3) 0.0491(15) Uani 0.785(10) 1 d D U P B 1
H50 H 0.227608 0.925219 0.105499 0.059 Uiso 0.785(10) 1 calc R U P B 1
C51 C 0.4071(7) 0.9094(5) 0.0871(3) 0.0523(14) Uani 0.785(10) 1 d D U P B 1
H51 H 0.393695 0.946100 0.130726 0.063 Uiso 0.785(10) 1 calc R U P B 1
C52 C 0.5254(5) 0.8687(5) 0.0395(3) 0.0499(14) Uani 0.785(10) 1 d D U P B 1
H52 H 0.593579 0.877047 0.050136 0.060 Uiso 0.785(10) 1 calc R U P B 1
C53 C 0.5438(4) 0.8159(4) -0.0236(3) 0.0462(12) Uani 0.785(10) 1 d D U P B 1
H53 H 0.625347 0.786795 -0.056446 0.055 Uiso 0.785(10) 1 calc R U P B 1
C54 C 0.4446(5) 0.8049(4) -0.0394(2) 0.0400(11) Uani 0.785(10) 1 d D U P B 1
H54 H 0.457150 0.769463 -0.083285 0.048 Uiso 0.785(10) 1 calc R U P B 1
C49B C 0.2906(18) 0.906(3) 0.0524(12) 0.047(4) Uani 0.215(10) 1 d D U P B 2
H49B H 0.201332 0.932476 0.065748 0.056 Uiso 0.215(10) 1 calc R U P B 2
C50B C 0.3458(18) 0.9295(19) 0.0976(10) 0.047(4) Uani 0.215(10) 1 d D U P B 2
H50B H 0.297181 0.971205 0.141474 0.057 Uiso 0.215(10) 1 calc R U P B 2
C51B C 0.4741(18) 0.8901(17) 0.0769(13) 0.046(3) Uani 0.215(10) 1 d D U P B 2
H51B H 0.516563 0.907060 0.105714 0.056 Uiso 0.215(10) 1 calc R U P B 2
C52B C 0.5416(15) 0.8265(16) 0.0153(14) 0.049(3) Uani 0.215(10) 1 d D U P B 2
H52B H 0.631116 0.796011 0.003346 0.059 Uiso 0.215(10) 1 calc R U P B 2
C53B C 0.485(2) 0.8052(17) -0.0299(10) 0.050(4) Uani 0.215(10) 1 d D U P B 2
H53B H 0.534267 0.762162 -0.073278 0.059 Uiso 0.215(10) 1 calc R U P B 2
C54B C 0.357(2) 0.847(2) -0.0114(12) 0.047(4) Uani 0.215(10) 1 d D U P B 2
H54B H 0.314820 0.835519 -0.042250 0.057 Uiso 0.215(10) 1 calc R U P B 2


_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 C11 2.057(2) . ?
Ge1 C10 2.066(2) . ?
Ge1 C26 2.0781(19) . ?
Si1 N2 1.7792(17) . ?
Si1 C6 1.863(2) . ?
Si1 C7 1.864(2) . ?
Si1 C1 1.873(2) . ?
O1 C10 1.239(2) . ?
N1 C2 1.451(2) . ?
N1 C5 1.458(3) . ?
N1 C4 1.460(3) . ?
N2 C10 1.382(3) . ?
N2 C9 1.465(2) . ?
N3 C26 1.349(3) . ?
N3 C28 1.393(3) . ?
N3 C34 1.487(3) . ?
N4 C26 1.359(2) . ?
N4 C27 1.393(3) . ?
N4 C31 1.479(3) . ?
C1 C3 1.400(3) 2_577 ?
C1 C2 1.402(3) . ?
C2 C3 1.385(3) . ?
C8 C9 1.517(3) . ?
C11 C12 1.419(3) . ?
C11 C16 1.420(3) . ?
C12 C13 1.396(3) . ?
C12 C20 1.521(3) . ?
C13 C14 1.382(3) . ?
C14 C15 1.391(3) . ?
C14 C23 1.517(3) . ?
C15 C16 1.394(3) . ?
C16 C17 1.527(3) . ?
C17 C18 1.524(3) . ?
C17 C19 1.534(3) . ?
C20 C22 1.530(3) . ?
C20 C21 1.532(3) . ?
C23 C24 1.523(4) . ?
C23 C25 1.524(3) . ?
C27 C28 1.348(3) . ?
C27 C29 1.497(3) . ?
C28 C30 1.489(3) . ?
C31 C32 1.523(3) . ?
C31 C33 1.524(3) . ?
C34 C36 1.521(3) . ?
C34 C35 1.522(3) . ?
C37 C42 1.359(4) . ?
C37 C38 1.363(5) . ?
C38 C39 1.382(5) . ?
C39 C40 1.384(5) . ?
C40 C41 1.361(5) . ?
C41 C42 1.357(4) . ?
C43 C48 1.368(8) . ?
C43 C44 1.378(9) . ?
C44 C45 1.379(9) . ?
C45 C46 1.380(8) . ?
C46 C47 1.378(7) . ?
C47 C48 1.378(7) . ?
C43B C44B 1.380(10) . ?
C43B C48B 1.391(10) . ?
C44B C45B 1.378(11) . ?
C45B C46B 1.376(12) . ?
C46B C47B 1.376(11) . ?
C47B C48B 1.370(11) . ?
C49 C50 1.369(6) . ?
C49 C54 1.379(5) . ?
C50 C51 1.367(6) . ?
C51 C52 1.377(6) . ?
C52 C53 1.377(6) . ?
C53 C54 1.380(5) . ?
C49B C50B 1.363(12) . ?
C49B C54B 1.368(13) . ?
C50B C51B 1.363(12) . ?
C51B C52B 1.360(12) . ?
C52B C53B 1.360(12) . ?
C53B C54B 1.359(13) . ?

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
C11 Ge1 C10 109.92(8) . . ?
C11 Ge1 C26 95.31(8) . . ?
C10 Ge1 C26 90.79(8) . . ?
N2 Si1 C6 110.21(10) . . ?
N2 Si1 C7 105.87(9) . . ?
C6 Si1 C7 108.06(11) . . ?
N2 Si1 C1 108.05(8) . . ?
C6 Si1 C1 116.05(10) . . ?
C7 Si1 C1 108.12(10) . . ?
C2 N1 C5 111.88(17) . . ?
C2 N1 C4 110.82(16) . . ?
C5 N1 C4 110.27(19) . . ?
C10 N2 C9 119.62(16) . . ?
C10 N2 Si1 116.58(13) . . ?
C9 N2 Si1 123.80(13) . . ?
C26 N3 C28 110.39(17) . . ?
C26 N3 C34 122.97(16) . . ?
C28 N3 C34 126.60(17) . . ?
C26 N4 C27 110.16(17) . . ?
C26 N4 C31 123.09(17) . . ?
C27 N4 C31 126.59(17) . . ?
C3 C1 C2 116.95(18) 2_577 . ?
C3 C1 Si1 121.12(15) 2_577 . ?
C2 C1 Si1 121.72(15) . . ?
C3 C2 C1 120.94(18) . . ?
C3 C2 N1 121.74(18) . . ?
C1 C2 N1 117.32(18) . . ?
C2 C3 C1 122.11(18) . 2_577 ?
N2 C9 C8 113.15(17) . . ?
O1 C10 N2 116.84(18) . . ?
O1 C10 Ge1 121.35(15) . . ?
N2 C10 Ge1 120.95(13) . . ?
C12 C11 C16 116.78(18) . . ?
C12 C11 Ge1 128.08(15) . . ?
C16 C11 Ge1 115.08(14) . . ?
C13 C12 C11 120.05(19) . . ?
C13 C12 C20 116.17(17) . . ?
C11 C12 C20 123.76(18) . . ?
C14 C13 C12 122.99(19) . . ?
C13 C14 C15 117.21(19) . . ?
C13 C14 C23 120.63(19) . . ?
C15 C14 C23 122.0(2) . . ?
C14 C15 C16 121.83(19) . . ?
C15 C16 C11 121.10(18) . . ?
C15 C16 C17 116.70(18) . . ?
C11 C16 C17 122.18(18) . . ?
C18 C17 C16 112.02(17) . . ?
C18 C17 C19 110.87(18) . . ?
C16 C17 C19 111.48(18) . . ?
C12 C20 C22 112.23(18) . . ?
C12 C20 C21 111.63(19) . . ?
C22 C20 C21 109.81(18) . . ?
C14 C23 C24 110.3(2) . . ?
C14 C23 C25 113.5(2) . . ?
C24 C23 C25 111.3(2) . . ?
N3 C26 N4 105.64(16) . . ?
N3 C26 Ge1 131.34(14) . . ?
N4 C26 Ge1 122.73(14) . . ?
C28 C27 N4 106.81(18) . . ?
C28 C27 C29 127.9(2) . . ?
N4 C27 C29 125.3(2) . . ?
C27 C28 N3 107.00(18) . . ?
C27 C28 C30 127.0(2) . . ?
N3 C28 C30 126.0(2) . . ?
N4 C31 C32 112.37(19) . . ?
N4 C31 C33 111.08(19) . . ?
C32 C31 C33 112.96(18) . . ?
N3 C34 C36 112.10(18) . . ?
N3 C34 C35 111.32(17) . . ?
C36 C34 C35 113.49(18) . . ?
C42 C37 C38 120.9(3) . . ?
C37 C38 C39 119.4(3) . . ?
C38 C39 C40 119.3(4) . . ?
C41 C40 C39 119.7(3) . . ?
C42 C41 C40 120.6(3) . . ?
C41 C42 C37 120.0(3) . . ?
C48 C43 C44 120.5(8) . . ?
C43 C44 C45 119.1(9) . . ?
C44 C45 C46 120.2(9) . . ?
C47 C46 C45 120.4(8) . . ?
C48 C47 C46 118.9(7) . . ?
C43 C48 C47 120.8(7) . . ?
C44B C43B C48B 118.9(12) . . ?
C45B C44B C43B 120.1(14) . . ?
C46B C45B C44B 120.1(15) . . ?
C47B C46B C45B 120.4(14) . . ?
C48B C47B C46B 119.3(12) . . ?
C47B C48B C43B 121.1(11) . . ?
C50 C49 C54 120.2(5) . . ?
C51 C50 C49 120.1(5) . . ?
C50 C51 C52 120.6(4) . . ?
C53 C52 C51 119.3(4) . . ?
C52 C53 C54 120.4(4) . . ?
C49 C54 C53 119.4(4) . . ?
C50B C49B C54B 123.3(17) . . ?
C49B C50B C51B 116.8(16) . . ?
C52B C51B C50B 120.3(15) . . ?
C53B C52B C51B 122.2(14) . . ?
C54B C53B C52B 118.3(14) . . ?
C53B C54B C49B 119.0(16) . . ?

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
C6 Si1 N2 C10 -51.75(17) . . . . ?
C7 Si1 N2 C10 -168.37(15) . . . . ?
C1 Si1 N2 C10 75.99(16) . . . . ?
C6 Si1 N2 C9 127.68(16) . . . . ?
C7 Si1 N2 C9 11.06(18) . . . . ?
C1 Si1 N2 C9 -104.58(16) . . . . ?
N2 Si1 C1 C3 6.12(19) . . . 2_577 ?
C6 Si1 C1 C3 130.43(17) . . . 2_577 ?
C7 Si1 C1 C3 -108.04(17) . . . 2_577 ?
N2 Si1 C1 C2 -179.22(16) . . . . ?
C6 Si1 C1 C2 -54.9(2) . . . . ?
C7 Si1 C1 C2 66.62(19) . . . . ?
C3 C1 C2 C3 -0.3(3) 2_577 . . . ?
Si1 C1 C2 C3 -175.14(15) . . . . ?
C3 C1 C2 N1 -179.46(17) 2_577 . . . ?
Si1 C1 C2 N1 5.7(3) . . . . ?
C5 N1 C2 C3 50.7(3) . . . . ?
C4 N1 C2 C3 -72.8(2) . . . . ?
C5 N1 C2 C1 -130.1(2) . . . . ?
C4 N1 C2 C1 106.4(2) . . . . ?
C1 C2 C3 C1 0.3(3) . . . 2_577 ?
N1 C2 C3 C1 179.44(18) . . . 2_577 ?
C10 N2 C9 C8 -97.0(2) . . . . ?
Si1 N2 C9 C8 83.6(2) . . . . ?
C9 N2 C10 O1 171.36(17) . . . . ?
Si1 N2 C10 O1 -9.2(2) . . . . ?
C9 N2 C10 Ge1 1.8(2) . . . . ?
Si1 N2 C10 Ge1 -178.76(9) . . . . ?
C16 C11 C12 C13 0.5(3) . . . . ?
Ge1 C11 C12 C13 177.62(16) . . . . ?
C16 C11 C12 C20 178.76(19) . . . . ?
Ge1 C11 C12 C20 -4.1(3) . . . . ?
C11 C12 C13 C14 1.5(3) . . . . ?
C20 C12 C13 C14 -176.8(2) . . . . ?
C12 C13 C14 C15 -2.3(3) . . . . ?
C12 C13 C14 C23 173.6(2) . . . . ?
C13 C14 C15 C16 1.0(3) . . . . ?
C23 C14 C15 C16 -174.8(2) . . . . ?
C14 C15 C16 C11 1.1(3) . . . . ?
C14 C15 C16 C17 179.26(19) . . . . ?
C12 C11 C16 C15 -1.8(3) . . . . ?
Ge1 C11 C16 C15 -179.25(16) . . . . ?
C12 C11 C16 C17 -179.88(18) . . . . ?
Ge1 C11 C16 C17 2.6(2) . . . . ?
C15 C16 C17 C18 63.2(3) . . . . ?
C11 C16 C17 C18 -118.6(2) . . . . ?
C15 C16 C17 C19 -61.7(2) . . . . ?
C11 C16 C17 C19 116.5(2) . . . . ?
C13 C12 C20 C22 -65.3(3) . . . . ?
C11 C12 C20 C22 116.4(2) . . . . ?
C13 C12 C20 C21 58.4(2) . . . . ?
C11 C12 C20 C21 -119.9(2) . . . . ?
C13 C14 C23 C24 -108.1(3) . . . . ?
C15 C14 C23 C24 67.5(3) . . . . ?
C13 C14 C23 C25 126.3(2) . . . . ?
C15 C14 C23 C25 -58.1(3) . . . . ?
C28 N3 C26 N4 -0.6(2) . . . . ?
C34 N3 C26 N4 177.30(17) . . . . ?
C28 N3 C26 Ge1 173.16(16) . . . . ?
C34 N3 C26 Ge1 -8.9(3) . . . . ?
C27 N4 C26 N3 1.0(2) . . . . ?
C31 N4 C26 N3 -174.78(18) . . . . ?
C27 N4 C26 Ge1 -173.49(14) . . . . ?
C31 N4 C26 Ge1 10.8(3) . . . . ?
C26 N4 C27 C28 -0.9(3) . . . . ?
C31 N4 C27 C28 174.6(2) . . . . ?
C26 N4 C27 C29 179.5(2) . . . . ?
C31 N4 C27 C29 -5.0(4) . . . . ?
N4 C27 C28 N3 0.5(3) . . . . ?
C29 C27 C28 N3 -179.9(2) . . . . ?
N4 C27 C28 C30 -178.9(2) . . . . ?
C29 C27 C28 C30 0.6(4) . . . . ?
C26 N3 C28 C27 0.1(3) . . . . ?
C34 N3 C28 C27 -177.8(2) . . . . ?
C26 N3 C28 C30 179.5(2) . . . . ?
C34 N3 C28 C30 1.7(4) . . . . ?
C26 N4 C31 C32 -112.4(2) . . . . ?
C27 N4 C31 C32 72.5(3) . . . . ?
C26 N4 C31 C33 119.9(2) . . . . ?
C27 N4 C31 C33 -55.1(3) . . . . ?
C26 N3 C34 C36 114.3(2) . . . . ?
C28 N3 C34 C36 -68.1(3) . . . . ?
C26 N3 C34 C35 -117.4(2) . . . . ?
C28 N3 C34 C35 60.2(3) . . . . ?
C42 C37 C38 C39 1.2(5) . . . . ?
C37 C38 C39 C40 -0.6(5) . . . . ?
C38 C39 C40 C41 -0.8(5) . . . . ?
C39 C40 C41 C42 1.5(5) . . . . ?
C40 C41 C42 C37 -0.9(5) . . . . ?
C38 C37 C42 C41 -0.4(5) . . . . ?
C48 C43 C44 C45 1(3) . . . . ?
C43 C44 C45 C46 -1(3) . . . . ?
C44 C45 C46 C47 2(2) . . . . ?
C45 C46 C47 C48 -1.5(16) . . . . ?
C44 C43 C48 C47 -0.6(18) . . . . ?
C46 C47 C48 C43 0.9(14) . . . . ?
C48B C43B C44B C45B -1(3) . . . . ?
C43B C44B C45B C46B -1(4) . . . . ?
C44B C45B C46B C47B 3(4) . . . . ?
C45B C46B C47B C48B -3(3) . . . . ?
C46B C47B C48B C43B 1(2) . . . . ?
C44B C43B C48B C47B 1(2) . . . . ?
C54 C49 C50 C51 0.2(9) . . . . ?
C49 C50 C51 C52 -0.6(9) . . . . ?
C50 C51 C52 C53 0.1(8) . . . . ?
C51 C52 C53 C54 0.7(8) . . . . ?
C50 C49 C54 C53 0.5(9) . . . . ?
C52 C53 C54 C49 -1.0(8) . . . . ?
C54B C49B C50B C51B 0(4) . . . . ?
C49B C50B C51B C52B -3(4) . . . . ?
C50B C51B C52B C53B 4(4) . . . . ?
C51B C52B C53B C54B -2(3) . . . . ?
C52B C53B C54B C49B -2(4) . . . . ?
C50B C49B C54B C53B 3(4) . . . . ?

_refine_diff_density_max         0.345
_refine_diff_density_min         -0.552
_refine_diff_density_rms         0.059



_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: benzene/thf/hexane'
####################################################################### 
# 
# 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_sh5323_a
_database_code_depnum_ccdc_archive 'CCDC 2427551'
loop_
_audit_author_name
_audit_author_address
'Bernd Morgenstern'
;Universitaet des Saarlandes
Germany
;
_audit_update_record             
;
2025-02-27 deposited with the CCDC.	2025-04-14 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT230_sh5323_a            
;
PROBLEM: Hirshfeld Test Diff for    Ge1      --C22      .        7.2 s.u.  
RESPONSE: all Ge1 bonded atoms have been checked carefully.
;
_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C47 H74 Ge N3 O2, 1.5(C6 H6)'
_chemical_formula_sum            'C56 H83 Ge N3 O2'
_chemical_formula_weight         902.84

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'
Ge Ge 0.1547 1.8001 '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'
N N 0.0061 0.0033 '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                   12.7231(3)
_cell_length_b                   12.9550(3)
_cell_length_c                   16.3893(4)
_cell_angle_alpha                103.0580(10)
_cell_angle_beta                 94.8140(10)
_cell_angle_gamma                95.9220(10)
_cell_volume                     2601.43(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    143(2)
_cell_measurement_reflns_used    9662
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      28.72

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.153
_exptl_crystal_F_000             976
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.630
_shelx_estimated_absorpt_T_min   0.787
_shelx_estimated_absorpt_T_max   0.884
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7150
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      143(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC I?S microfocus sealed tube'
_diffrn_measurement_device_type  'Bruker AXS D8 Venture, Photon II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            114365
_diffrn_reflns_av_unetI/netI     0.0186
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.146
_diffrn_reflns_theta_max         28.737
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             13482
_reflns_number_gt                12425
_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       'APEX 4 (Bruker, 2021)'
_computing_cell_refinement       'SAINT  (Bruker, 2019)'
_computing_data_reduction        'SAINT  (Bruker, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  
;
SHELXL-2019/3 (Sheldrick),                                              
SHELXLe Rev 1370 (Huebschle et al., 2011)
;
_computing_molecular_graphics    'SHELXL-2019/3 (Sheldrick)'
_computing_publication_material  'XCIF (Bruker AXS, Ver. 2014.2)'
_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)+(0.0262P)²+0.9688P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13482
_refine_ls_number_parameters     579
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0260
_refine_ls_wR_factor_ref         0.0656
_refine_ls_wR_factor_gt          0.0633
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.005
_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 0.55343(2) 0.67376(2) 0.71067(2) 0.01660(3) Uani 1 1 d . . . . .
O1 O 0.46525(6) 0.68144(6) 0.80329(5) 0.02134(15) Uani 1 1 d . . . . .
O2 O 0.34061(6) 0.58399(7) 0.70221(5) 0.02852(18) Uani 1 1 d . . . . .
N1 N 0.20540(7) 0.55500(7) 0.82765(5) 0.02046(17) Uani 1 1 d . . . . .
N2 N 0.42492(7) 0.85958(7) 0.68325(5) 0.01869(16) Uani 1 1 d . . . . .
N3 N 0.41352(7) 0.73271(7) 0.57081(5) 0.01849(16) Uani 1 1 d . . . . .
C1 C 0.30714(8) 0.60783(8) 0.84419(6) 0.0206(2) Uani 1 1 d . . . . .
C2 C 0.33928(10) 0.64392(10) 0.93841(7) 0.0277(2) Uani 1 1 d . . . . .
C3 C 0.24623(11) 0.58831(11) 0.97387(7) 0.0332(3) Uani 1 1 d . . . . .
H3A H 0.266842 0.522913 0.989157 0.040 Uiso 1 1 calc R U . . .
H3B H 0.227525 0.636721 1.025053 0.040 Uiso 1 1 calc R U . . .
C4 C 0.15121(9) 0.55966(9) 0.90586(7) 0.0261(2) Uani 1 1 d . . . . .
C5 C 0.08933(11) 0.45242(10) 0.90651(8) 0.0357(3) Uani 1 1 d . . . . .
H5A H 0.030920 0.434009 0.860762 0.053 Uiso 1 1 calc R U . . .
H5B H 0.060388 0.457436 0.960637 0.053 Uiso 1 1 calc R U . . .
H5C H 0.136964 0.397012 0.898556 0.053 Uiso 1 1 calc R U . . .
C6 C 0.07526(12) 0.64452(12) 0.91631(9) 0.0413(3) Uani 1 1 d . . . . .
H6A H 0.113071 0.712748 0.912337 0.062 Uiso 1 1 calc R U . . .
H6B H 0.048543 0.652734 0.971494 0.062 Uiso 1 1 calc R U . . .
H6C H 0.015449 0.622530 0.871813 0.062 Uiso 1 1 calc R U . . .
C7 C 0.44248(11) 0.60271(13) 0.96435(9) 0.0417(3) Uani 1 1 d . . . . .
H7A H 0.436295 0.525313 0.941589 0.063 Uiso 1 1 calc R U . . .
H7B H 0.455355 0.618653 1.025970 0.063 Uiso 1 1 calc R U . . .
H7C H 0.501857 0.637774 0.942098 0.063 Uiso 1 1 calc R U . . .
C8 C 0.35122(12) 0.76576(11) 0.97015(8) 0.0400(3) Uani 1 1 d . . . . .
H8A H 0.408547 0.798080 0.944056 0.060 Uiso 1 1 calc R U . . .
H8B H 0.368309 0.785039 1.031537 0.060 Uiso 1 1 calc R U . . .
H8C H 0.284451 0.792020 0.955141 0.060 Uiso 1 1 calc R U . . .
C9 C 0.37048(8) 0.62251(8) 0.77785(6) 0.01986(19) Uani 1 1 d . . . . .
C10 C 0.15578(8) 0.49469(8) 0.74635(6) 0.01923(19) Uani 1 1 d . . . . .
C11 C 0.17193(8) 0.38660(8) 0.71994(7) 0.0213(2) Uani 1 1 d . . . . .
C12 C 0.12033(9) 0.32745(9) 0.64272(7) 0.0276(2) Uani 1 1 d . . . . .
H12 H 0.129477 0.254274 0.624401 0.033 Uiso 1 1 calc R U . . .
C13 C 0.05613(10) 0.37297(10) 0.59223(8) 0.0318(3) Uani 1 1 d . . . . .
H13 H 0.020899 0.331067 0.540058 0.038 Uiso 1 1 calc R U . . .
C14 C 0.04329(9) 0.47951(10) 0.61779(8) 0.0296(2) Uani 1 1 d . . . . .
H14 H -0.000184 0.510597 0.582390 0.035 Uiso 1 1 calc R U . . .
C15 C 0.09304(9) 0.54257(9) 0.69478(7) 0.0233(2) Uani 1 1 d . . . . .
C16 C 0.08191(10) 0.66105(9) 0.71581(8) 0.0300(2) Uani 1 1 d . . . . .
H16 H 0.118516 0.693333 0.773763 0.036 Uiso 1 1 calc R U . . .
C17 C 0.13717(13) 0.71544(11) 0.65396(9) 0.0417(3) Uani 1 1 d . . . . .
H17A H 0.102237 0.685231 0.596670 0.062 Uiso 1 1 calc R U . . .
H17B H 0.212064 0.703481 0.656273 0.062 Uiso 1 1 calc R U . . .
H17C H 0.132483 0.792312 0.669475 0.062 Uiso 1 1 calc R U . . .
C18 C -0.03500(12) 0.68037(12) 0.71545(12) 0.0499(4) Uani 1 1 d . . . . .
H18A H -0.072769 0.648237 0.659378 0.075 Uiso 1 1 calc R U . . .
H18B H -0.039285 0.757366 0.729527 0.075 Uiso 1 1 calc R U . . .
H18C H -0.067678 0.647870 0.757208 0.075 Uiso 1 1 calc R U . . .
C19 C 0.24961(9) 0.33533(9) 0.76882(8) 0.0265(2) Uani 1 1 d . . . . .
H19 H 0.270745 0.384546 0.825625 0.032 Uiso 1 1 calc R U . . .
C20 C 0.35012(11) 0.32179(12) 0.72360(10) 0.0397(3) Uani 1 1 d . . . . .
H20A H 0.331759 0.271253 0.668677 0.060 Uiso 1 1 calc R U . . .
H20B H 0.402532 0.294466 0.757833 0.060 Uiso 1 1 calc R U . . .
H20C H 0.380172 0.391032 0.715461 0.060 Uiso 1 1 calc R U . . .
C21 C 0.20145(12) 0.22701(10) 0.78160(9) 0.0369(3) Uani 1 1 d . . . . .
H21A H 0.184313 0.176047 0.726766 0.055 Uiso 1 1 calc R U . . .
H21B H 0.136503 0.235950 0.809248 0.055 Uiso 1 1 calc R U . . .
H21C H 0.252844 0.200015 0.816934 0.055 Uiso 1 1 calc R U . . .
C22 C 0.45493(8) 0.76251(8) 0.65271(6) 0.01680(18) Uani 1 1 d . . . . .
C23 C 0.36527(9) 0.89177(9) 0.62014(7) 0.0232(2) Uani 1 1 d . . . . .
C24 C 0.35844(9) 0.81208(9) 0.54935(7) 0.0229(2) Uani 1 1 d . . . . .
C25 C 0.32259(12) 0.99660(10) 0.63048(9) 0.0389(3) Uani 1 1 d . . . . .
H25A H 0.283109 0.999837 0.577331 0.058 Uiso 1 1 calc R U . . .
H25B H 0.381648 1.054688 0.645990 0.058 Uiso 1 1 calc R U . . .
H25C H 0.275006 1.004039 0.674917 0.058 Uiso 1 1 calc R U . . .
C26 C 0.30572(12) 0.80780(11) 0.46354(8) 0.0395(3) Uani 1 1 d . . . . .
H26A H 0.359793 0.809961 0.424544 0.059 Uiso 1 1 calc R U . . .
H26B H 0.265997 0.869126 0.465912 0.059 Uiso 1 1 calc R U . . .
H26C H 0.256774 0.741497 0.443838 0.059 Uiso 1 1 calc R U . . .
C27 C 0.44691(9) 0.91515(8) 0.77359(7) 0.0234(2) Uani 1 1 d . . . . .
H27 H 0.488370 0.868732 0.801596 0.028 Uiso 1 1 calc R U . . .
C28 C 0.34409(11) 0.92348(11) 0.81445(8) 0.0356(3) Uani 1 1 d . . . . .
H28A H 0.303434 0.973388 0.792331 0.053 Uiso 1 1 calc R U . . .
H28B H 0.360702 0.949468 0.875620 0.053 Uiso 1 1 calc R U . . .
H28C H 0.301896 0.852949 0.801709 0.053 Uiso 1 1 calc R U . . .
C29 C 0.51661(12) 1.02177(10) 0.78757(9) 0.0395(3) Uani 1 1 d . . . . .
H29A H 0.580535 1.011382 0.758790 0.059 Uiso 1 1 calc R U . . .
H29B H 0.537200 1.050656 0.848076 0.059 Uiso 1 1 calc R U . . .
H29C H 0.476974 1.071920 0.764860 0.059 Uiso 1 1 calc R U . . .
C30 C 0.42423(9) 0.62687(8) 0.51578(7) 0.0225(2) Uani 1 1 d . . . . .
H30 H 0.470805 0.591009 0.549983 0.027 Uiso 1 1 calc R U . . .
C31 C 0.48112(10) 0.63737(10) 0.43937(7) 0.0291(2) Uani 1 1 d . . . . .
H31A H 0.495062 0.566663 0.409025 0.044 Uiso 1 1 calc R U . . .
H31B H 0.548598 0.683972 0.457987 0.044 Uiso 1 1 calc R U . . .
H31C H 0.436320 0.668237 0.401939 0.044 Uiso 1 1 calc R U . . .
C32 C 0.31799(10) 0.55582(10) 0.49318(8) 0.0315(3) Uani 1 1 d . . . . .
H32A H 0.269717 0.587188 0.458611 0.047 Uiso 1 1 calc R U . . .
H32B H 0.286912 0.549821 0.544891 0.047 Uiso 1 1 calc R U . . .
H32C H 0.328936 0.484710 0.461476 0.047 Uiso 1 1 calc R U . . .
C33 C 0.67201(8) 0.79968(8) 0.76000(6) 0.01831(18) Uani 1 1 d . . . . .
C34 C 0.71929(8) 0.83159(9) 0.84469(7) 0.0219(2) Uani 1 1 d . . . . .
C35 C 0.80876(9) 0.90860(9) 0.86778(7) 0.0253(2) Uani 1 1 d . . . . .
H35 H 0.838825 0.928337 0.925006 0.030 Uiso 1 1 calc R U . . .
C36 C 0.85524(8) 0.95724(9) 0.80995(7) 0.0230(2) Uani 1 1 d . . . . .
C37 C 0.81102(8) 0.92392(9) 0.72651(7) 0.0220(2) Uani 1 1 d . . . . .
H37 H 0.841495 0.955449 0.685559 0.026 Uiso 1 1 calc R U . . .
C38 C 0.72310(8) 0.84548(8) 0.70077(6) 0.01962(19) Uani 1 1 d . . . . .
C39 C 0.68752(8) 0.81106(9) 0.60633(6) 0.0228(2) Uani 1 1 d . . . . .
H39 H 0.625941 0.753686 0.597645 0.027 Uiso 1 1 calc R U . . .
C40 C 0.64892(11) 0.90216(11) 0.57181(8) 0.0357(3) Uani 1 1 d . . . . .
H40A H 0.621759 0.875440 0.512168 0.053 Uiso 1 1 calc R U . . .
H40B H 0.708159 0.958951 0.577589 0.053 Uiso 1 1 calc R U . . .
H40C H 0.592059 0.930588 0.603497 0.053 Uiso 1 1 calc R U . . .
C41 C 0.77449(10) 0.76350(12) 0.55642(8) 0.0369(3) Uani 1 1 d . . . . .
H41A H 0.746946 0.738164 0.496761 0.055 Uiso 1 1 calc R U . . .
H41B H 0.796616 0.703541 0.578014 0.055 Uiso 1 1 calc R U . . .
H41C H 0.835641 0.818303 0.562508 0.055 Uiso 1 1 calc R U . . .
C42 C 0.67756(9) 0.78228(10) 0.91337(7) 0.0288(2) Uani 1 1 d . . . . .
H42 H 0.610615 0.734016 0.888377 0.035 Uiso 1 1 calc R U . . .
C43 C 0.65034(12) 0.86671(13) 0.98723(8) 0.0439(3) Uani 1 1 d . . . . .
H43A H 0.600885 0.910508 0.966348 0.066 Uiso 1 1 calc R U . . .
H43B H 0.715488 0.912277 1.015406 0.066 Uiso 1 1 calc R U . . .
H43C H 0.617181 0.831513 1.027347 0.066 Uiso 1 1 calc R U . . .
C44 C 0.75644(13) 0.71442(13) 0.94451(10) 0.0474(4) Uani 1 1 d . . . . .
H44A H 0.771089 0.658817 0.896913 0.071 Uiso 1 1 calc R U . . .
H44B H 0.725999 0.681028 0.986684 0.071 Uiso 1 1 calc R U . . .
H44C H 0.822763 0.759941 0.969882 0.071 Uiso 1 1 calc R U . . .
C45 C 0.95360(9) 1.03936(9) 0.83498(7) 0.0277(2) Uani 1 1 d . . . . .
H45 H 0.962165 1.074378 0.787049 0.033 Uiso 1 1 calc R U . . .
C46 C 0.94392(11) 1.12708(11) 0.91267(9) 0.0390(3) Uani 1 1 d . . . . .
H46A H 1.005182 1.182394 0.921703 0.059 Uiso 1 1 calc R U . . .
H46B H 0.942004 1.096470 0.962094 0.059 Uiso 1 1 calc R U . . .
H46C H 0.878349 1.158711 0.904109 0.059 Uiso 1 1 calc R U . . .
C47 C 1.05330(10) 0.98624(12) 0.84788(10) 0.0413(3) Uani 1 1 d . . . . .
H47A H 1.061667 0.934585 0.795762 0.062 Uiso 1 1 calc R U . . .
H47B H 1.046675 0.949283 0.893530 0.062 Uiso 1 1 calc R U . . .
H47C H 1.115592 1.040750 0.862618 0.062 Uiso 1 1 calc R U . . .
C48 C 0.83023(13) 0.28630(14) 0.75462(10) 0.0484(4) Uani 1 1 d . . . . .
H48 H 0.890056 0.248283 0.747302 0.058 Uiso 1 1 calc R U . . .
C49 C 0.73916(13) 0.23991(13) 0.77864(10) 0.0464(4) Uani 1 1 d . . . . .
H49 H 0.735673 0.169542 0.787146 0.056 Uiso 1 1 calc R U . . .
C50 C 0.65337(12) 0.29589(13) 0.79025(10) 0.0455(4) Uani 1 1 d . . . . .
H50 H 0.590727 0.264243 0.807254 0.055 Uiso 1 1 calc R U . . .
C51 C 0.65773(12) 0.39770(13) 0.77736(10) 0.0450(3) Uani 1 1 d . . . . .
H51 H 0.598301 0.436131 0.785681 0.054 Uiso 1 1 calc R U . . .
C52 C 0.74822(13) 0.44367(13) 0.75243(10) 0.0466(4) Uani 1 1 d . . . . .
H52 H 0.751078 0.513567 0.743004 0.056 Uiso 1 1 calc R U . . .
C53 C 0.83457(13) 0.38816(14) 0.74117(10) 0.0496(4) Uani 1 1 d . . . . .
H53 H 0.897177 0.419861 0.724147 0.059 Uiso 1 1 calc R U . . .
C54 C 0.96609(12) 0.07266(12) 0.56455(10) 0.0425(3) Uani 1 1 d . . . . .
H54 H 0.942760 0.122734 0.609025 0.051 Uiso 1 1 calc R U . . .
C55 C 0.94619(11) 0.08085(12) 0.48247(10) 0.0422(3) Uani 1 1 d . . . . .
H55 H 0.909071 0.136528 0.470313 0.051 Uiso 1 1 calc R U . . .
C56 C 0.98020(11) 0.00812(13) 0.41789(9) 0.0426(3) Uani 1 1 d . . . . .
H56 H 0.966545 0.013816 0.361293 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 O1 1.9528(7) . ?
Ge1 C33 2.0694(10) . ?
Ge1 C22 2.0942(10) . ?
O1 C9 1.3389(12) . ?
O2 C9 1.2380(13) . ?
N1 C1 1.3755(13) . ?
N1 C10 1.4391(13) . ?
N1 C4 1.4980(13) . ?
N2 C22 1.3507(12) . ?
N2 C23 1.3958(14) . ?
N2 C27 1.4818(13) . ?
N3 C22 1.3541(13) . ?
N3 C24 1.3938(13) . ?
N3 C30 1.4874(13) . ?
C1 C9 1.4411(14) . ?
C1 C2 1.5160(15) . ?
C2 C7 1.5308(19) . ?
C2 C8 1.5334(18) . ?
C2 C3 1.5450(16) . ?
C3 C4 1.5285(18) . ?
C4 C5 1.5273(16) . ?
C4 C6 1.5276(18) . ?
C10 C15 1.4007(15) . ?
C10 C11 1.4111(14) . ?
C11 C12 1.3922(15) . ?
C11 C19 1.5174(16) . ?
C12 C13 1.3806(18) . ?
C13 C14 1.3799(18) . ?
C14 C15 1.3977(16) . ?
C15 C16 1.5194(16) . ?
C16 C18 1.5335(19) . ?
C16 C17 1.5358(18) . ?
C19 C20 1.5369(17) . ?
C19 C21 1.5380(16) . ?
C23 C24 1.3575(15) . ?
C23 C25 1.4938(15) . ?
C24 C26 1.4932(16) . ?
C27 C28 1.5216(16) . ?
C27 C29 1.5222(16) . ?
C30 C32 1.5220(16) . ?
C30 C31 1.5231(16) . ?
C33 C38 1.4154(14) . ?
C33 C34 1.4173(14) . ?
C34 C35 1.3990(15) . ?
C34 C42 1.5206(15) . ?
C35 C36 1.3900(16) . ?
C36 C37 1.3882(15) . ?
C36 C45 1.5193(15) . ?
C37 C38 1.3980(14) . ?
C38 C39 1.5259(14) . ?
C39 C40 1.5260(17) . ?
C39 C41 1.5290(16) . ?
C42 C43 1.5270(18) . ?
C42 C44 1.529(2) . ?
C45 C47 1.5258(18) . ?
C45 C46 1.5262(17) . ?
C48 C49 1.378(2) . ?
C48 C53 1.382(2) . ?
C49 C50 1.375(2) . ?
C50 C51 1.378(2) . ?
C51 C52 1.376(2) . ?
C52 C53 1.377(2) . ?
C54 C56 1.377(2) 2_756 ?
C54 C55 1.378(2) . ?
C55 C56 1.380(2) . ?

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
O1 Ge1 C33 101.76(4) . . ?
O1 Ge1 C22 91.10(3) . . ?
C33 Ge1 C22 95.37(4) . . ?
C9 O1 Ge1 111.38(6) . . ?
C1 N1 C10 125.57(8) . . ?
C1 N1 C4 112.50(9) . . ?
C10 N1 C4 121.80(8) . . ?
C22 N2 C23 110.39(8) . . ?
C22 N2 C27 122.15(9) . . ?
C23 N2 C27 127.25(9) . . ?
C22 N3 C24 110.44(8) . . ?
C22 N3 C30 122.42(8) . . ?
C24 N3 C30 127.09(9) . . ?
N1 C1 C9 122.07(9) . . ?
N1 C1 C2 110.55(9) . . ?
C9 C1 C2 127.37(9) . . ?
C1 C2 C7 111.74(10) . . ?
C1 C2 C8 112.41(10) . . ?
C7 C2 C8 109.38(11) . . ?
C1 C2 C3 102.02(9) . . ?
C7 C2 C3 109.07(10) . . ?
C8 C2 C3 112.04(11) . . ?
C4 C3 C2 108.03(9) . . ?
N1 C4 C5 112.25(9) . . ?
N1 C4 C6 111.26(10) . . ?
C5 C4 C6 108.77(11) . . ?
N1 C4 C3 101.29(9) . . ?
C5 C4 C3 110.84(11) . . ?
C6 C4 C3 112.34(11) . . ?
O2 C9 O1 121.44(9) . . ?
O2 C9 C1 123.16(9) . . ?
O1 C9 C1 115.41(9) . . ?
C15 C10 C11 120.95(10) . . ?
C15 C10 N1 120.56(9) . . ?
C11 C10 N1 118.49(9) . . ?
C12 C11 C10 118.25(10) . . ?
C12 C11 C19 118.96(10) . . ?
C10 C11 C19 122.61(10) . . ?
C13 C12 C11 121.35(11) . . ?
C14 C13 C12 119.79(11) . . ?
C13 C14 C15 121.25(11) . . ?
C14 C15 C10 118.35(10) . . ?
C14 C15 C16 118.28(10) . . ?
C10 C15 C16 123.26(10) . . ?
C15 C16 C18 111.60(10) . . ?
C15 C16 C17 109.94(11) . . ?
C18 C16 C17 110.93(12) . . ?
C11 C19 C20 109.75(10) . . ?
C11 C19 C21 112.81(10) . . ?
C20 C19 C21 109.94(10) . . ?
N2 C22 N3 105.83(8) . . ?
N2 C22 Ge1 130.01(7) . . ?
N3 C22 Ge1 124.03(7) . . ?
C24 C23 N2 106.72(9) . . ?
C24 C23 C25 128.17(11) . . ?
N2 C23 C25 125.07(10) . . ?
C23 C24 N3 106.62(9) . . ?
C23 C24 C26 128.33(10) . . ?
N3 C24 C26 125.03(10) . . ?
N2 C27 C28 110.75(9) . . ?
N2 C27 C29 112.45(10) . . ?
C28 C27 C29 113.41(10) . . ?
N3 C30 C32 111.60(9) . . ?
N3 C30 C31 112.06(9) . . ?
C32 C30 C31 113.40(9) . . ?
C38 C33 C34 116.58(9) . . ?
C38 C33 Ge1 116.14(7) . . ?
C34 C33 Ge1 126.27(8) . . ?
C35 C34 C33 120.70(10) . . ?
C35 C34 C42 117.30(9) . . ?
C33 C34 C42 121.98(9) . . ?
C36 C35 C34 122.32(10) . . ?
C37 C36 C35 117.13(10) . . ?
C37 C36 C45 120.65(10) . . ?
C35 C36 C45 122.15(10) . . ?
C36 C37 C38 122.15(10) . . ?
C37 C38 C33 120.98(9) . . ?
C37 C38 C39 116.57(9) . . ?
C33 C38 C39 122.44(9) . . ?
C38 C39 C40 112.07(9) . . ?
C38 C39 C41 112.08(9) . . ?
C40 C39 C41 110.46(10) . . ?
C34 C42 C43 111.95(11) . . ?
C34 C42 C44 111.34(11) . . ?
C43 C42 C44 110.26(11) . . ?
C36 C45 C47 111.21(10) . . ?
C36 C45 C46 112.92(10) . . ?
C47 C45 C46 110.52(11) . . ?
C49 C48 C53 120.03(16) . . ?
C50 C49 C48 119.70(15) . . ?
C49 C50 C51 120.37(14) . . ?
C52 C51 C50 119.98(15) . . ?
C51 C52 C53 119.88(15) . . ?
C52 C53 C48 120.03(15) . . ?
C56 C54 C55 119.97(14) 2_756 . ?
C54 C55 C56 119.98(14) . . ?
C54 C56 C55 120.04(14) 2_756 . ?

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
C10 N1 C1 C9 10.18(16) . . . . ?
C4 N1 C1 C9 -173.92(10) . . . . ?
C10 N1 C1 C2 -168.97(10) . . . . ?
C4 N1 C1 C2 6.93(13) . . . . ?
N1 C1 C2 C7 124.80(11) . . . . ?
C9 C1 C2 C7 -54.29(15) . . . . ?
N1 C1 C2 C8 -111.77(11) . . . . ?
C9 C1 C2 C8 69.13(15) . . . . ?
N1 C1 C2 C3 8.41(13) . . . . ?
C9 C1 C2 C3 -170.69(11) . . . . ?
C1 C2 C3 C4 -20.22(13) . . . . ?
C7 C2 C3 C4 -138.53(11) . . . . ?
C8 C2 C3 C4 100.22(12) . . . . ?
C1 N1 C4 C5 -137.36(11) . . . . ?
C10 N1 C4 C5 38.71(15) . . . . ?
C1 N1 C4 C6 100.49(12) . . . . ?
C10 N1 C4 C6 -83.44(13) . . . . ?
C1 N1 C4 C3 -19.08(12) . . . . ?
C10 N1 C4 C3 156.98(10) . . . . ?
C2 C3 C4 N1 23.71(12) . . . . ?
C2 C3 C4 C5 143.00(10) . . . . ?
C2 C3 C4 C6 -95.09(12) . . . . ?
Ge1 O1 C9 O2 -10.53(13) . . . . ?
Ge1 O1 C9 C1 169.53(7) . . . . ?
N1 C1 C9 O2 -4.14(17) . . . . ?
C2 C1 C9 O2 174.86(11) . . . . ?
N1 C1 C9 O1 175.80(9) . . . . ?
C2 C1 C9 O1 -5.20(16) . . . . ?
C1 N1 C10 C15 -93.90(13) . . . . ?
C4 N1 C10 C15 90.57(12) . . . . ?
C1 N1 C10 C11 86.02(13) . . . . ?
C4 N1 C10 C11 -89.51(12) . . . . ?
C15 C10 C11 C12 -2.61(15) . . . . ?
N1 C10 C11 C12 177.47(9) . . . . ?
C15 C10 C11 C19 172.42(10) . . . . ?
N1 C10 C11 C19 -7.50(14) . . . . ?
C10 C11 C12 C13 0.96(16) . . . . ?
C19 C11 C12 C13 -174.25(11) . . . . ?
C11 C12 C13 C14 0.76(18) . . . . ?
C12 C13 C14 C15 -0.89(19) . . . . ?
C13 C14 C15 C10 -0.72(17) . . . . ?
C13 C14 C15 C16 175.54(11) . . . . ?
C11 C10 C15 C14 2.48(15) . . . . ?
N1 C10 C15 C14 -177.60(10) . . . . ?
C11 C10 C15 C16 -173.58(10) . . . . ?
N1 C10 C15 C16 6.34(16) . . . . ?
C14 C15 C16 C18 58.32(15) . . . . ?
C10 C15 C16 C18 -125.62(13) . . . . ?
C14 C15 C16 C17 -65.22(14) . . . . ?
C10 C15 C16 C17 110.85(13) . . . . ?
C12 C11 C19 C20 70.49(13) . . . . ?
C10 C11 C19 C20 -104.50(12) . . . . ?
C12 C11 C19 C21 -52.46(14) . . . . ?
C10 C11 C19 C21 132.55(11) . . . . ?
C23 N2 C22 N3 -0.65(11) . . . . ?
C27 N2 C22 N3 174.44(9) . . . . ?
C23 N2 C22 Ge1 175.21(7) . . . . ?
C27 N2 C22 Ge1 -9.69(14) . . . . ?
C24 N3 C22 N2 0.85(11) . . . . ?
C30 N3 C22 N2 -176.74(9) . . . . ?
C24 N3 C22 Ge1 -175.32(7) . . . . ?
C30 N3 C22 Ge1 7.08(13) . . . . ?
C22 N2 C23 C24 0.21(12) . . . . ?
C27 N2 C23 C24 -174.57(10) . . . . ?
C22 N2 C23 C25 -177.50(11) . . . . ?
C27 N2 C23 C25 7.72(18) . . . . ?
N2 C23 C24 N3 0.32(12) . . . . ?
C25 C23 C24 N3 177.93(12) . . . . ?
N2 C23 C24 C26 -178.23(12) . . . . ?
C25 C23 C24 C26 -0.6(2) . . . . ?
C22 N3 C24 C23 -0.74(12) . . . . ?
C30 N3 C24 C23 176.72(10) . . . . ?
C22 N3 C24 C26 177.87(12) . . . . ?
C30 N3 C24 C26 -4.68(18) . . . . ?
C22 N2 C27 C28 -112.81(11) . . . . ?
C23 N2 C27 C28 61.41(14) . . . . ?
C22 N2 C27 C29 119.14(11) . . . . ?
C23 N2 C27 C29 -66.64(14) . . . . ?
C22 N3 C30 C32 110.78(11) . . . . ?
C24 N3 C30 C32 -66.39(14) . . . . ?
C22 N3 C30 C31 -120.80(11) . . . . ?
C24 N3 C30 C31 62.02(14) . . . . ?
C38 C33 C34 C35 3.10(15) . . . . ?
Ge1 C33 C34 C35 171.08(8) . . . . ?
C38 C33 C34 C42 -175.23(10) . . . . ?
Ge1 C33 C34 C42 -7.25(15) . . . . ?
C33 C34 C35 C36 0.10(18) . . . . ?
C42 C34 C35 C36 178.51(11) . . . . ?
C34 C35 C36 C37 -1.92(17) . . . . ?
C34 C35 C36 C45 -178.87(11) . . . . ?
C35 C36 C37 C38 0.44(17) . . . . ?
C45 C36 C37 C38 177.43(10) . . . . ?
C36 C37 C38 C33 2.89(17) . . . . ?
C36 C37 C38 C39 -175.88(10) . . . . ?
C34 C33 C38 C37 -4.55(15) . . . . ?
Ge1 C33 C38 C37 -173.77(8) . . . . ?
C34 C33 C38 C39 174.15(10) . . . . ?
Ge1 C33 C38 C39 4.93(13) . . . . ?
C37 C38 C39 C40 -64.08(13) . . . . ?
C33 C38 C39 C40 117.17(11) . . . . ?
C37 C38 C39 C41 60.77(13) . . . . ?
C33 C38 C39 C41 -117.98(12) . . . . ?
C35 C34 C42 C43 57.06(15) . . . . ?
C33 C34 C42 C43 -124.56(12) . . . . ?
C35 C34 C42 C44 -66.88(14) . . . . ?
C33 C34 C42 C44 111.51(13) . . . . ?
C37 C36 C45 C47 -101.37(13) . . . . ?
C35 C36 C45 C47 75.47(14) . . . . ?
C37 C36 C45 C46 133.71(12) . . . . ?
C35 C36 C45 C46 -49.45(16) . . . . ?
C53 C48 C49 C50 -0.9(2) . . . . ?
C48 C49 C50 C51 0.5(2) . . . . ?
C49 C50 C51 C52 0.2(2) . . . . ?
C50 C51 C52 C53 -0.6(2) . . . . ?
C51 C52 C53 C48 0.2(2) . . . . ?
C49 C48 C53 C52 0.5(2) . . . . ?
C56 C54 C55 C56 -0.1(2) 2_756 . . . ?
C54 C55 C56 C54 0.1(2) . . . 2_756 ?

_refine_diff_density_max         0.296
_refine_diff_density_min         -0.308
_refine_diff_density_rms         0.039



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: benzene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
