# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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. 
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data_mo_Jogendra_CuPf6_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2497008'
loop_
_audit_author_name
_audit_author_address
'Jogendrananda Barik'
;IIT Madras
India
;
_audit_update_record             
;
2025-10-21 deposited with the CCDC.	2026-01-23 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif 2024.9-0 by Daniel Kratzert, Freiburg 2025, 
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C16 H14 Ge0.50 N3'
_chemical_formula_moiety         ?
_chemical_formula_weight         284.6
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'
_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   18.5498(14)
_cell_length_b                   7.6080(7)
_cell_length_c                   18.5459(17)
_cell_angle_alpha                90
_cell_angle_beta                 93.523(3)
_cell_angle_gamma                90
_cell_volume                     2612.4(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    167(2)
_cell_measurement_reflns_used    9929
_cell_measurement_theta_min      2.8946
_cell_measurement_theta_max      26.4067
_cell_measurement_wavelength     0.71073
_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    1.207
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.6828
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   
;Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for single-crystal
 structure determination"
J. Appl. Cryst. 48, 3-10.
doi:10.1107/S1600576714022985
;
_exptl_absorpt_special_details   ?
_exptl_bruker_absorpt_correction_T_ratio 0.916
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      167(2)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'multilayer mirror'
_diffrn_radiation_probe          ?
_diffrn_source                   'microfocus sealed tube'
_diffrn_source_type              'INCOATEC I\mS 3.0'
_diffrn_source_target            Mo
_diffrn_source_voltage           50.0
_diffrn_source_current           1.398
_diffrn_detector                 ?
_diffrn_detector_type            ?
_diffrn_detector_area_resol_mean 7.391
_diffrn_measurement_device       'KAPPA diffractometer'
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support ?
_diffrn_measurement_details      
;<Phi   scan: start= 360.0; len= 180.0; end= 540.0 at [Counterclockwise Eulerian 
angles: dx= 50.00 mm theta=   0.000 deg omega=   0.000 deg chi=  54.740 deg] 
measure for 1.0 seconds; frame angle 1.00 degrees, wavelength=0.71073>
<Phi   scan: start= 180.0; len= 180.0; end= 360.0 at [Counterclockwise Eulerian 
angles: dx= 50.00 mm theta=   0.000 deg omega=   0.000 deg chi=  54.740 deg] 
measure for 1.0 seconds; frame angle 1.00 degrees, wavelength=0.71073>
<Phi   scan: start= 164.0; len= 184.0; end= 348.0 at [Counterclockwise Eulerian 
angles: dx= 50.00 mm theta=   6.489 deg omega=   0.858 deg chi= -24.000 deg] 
measure for 7.0 seconds; frame angle 0.50 degrees, wavelength=0.71073>
<Omega scan: start=   5.0; len= 122.5; end= 127.5 at [Counterclockwise Eulerian 
angles: dx= 50.00 mm theta=   6.489 deg phi= 204.000 deg chi= -44.500 deg] 
measure for 7.0 seconds; frame angle 0.50 degrees, wavelength=0.71073>
<Omega scan: start=   5.0; len= 122.5; end= 127.5 at [Counterclockwise Eulerian 
angles: dx= 50.00 mm theta=   6.489 deg phi= 255.000 deg chi= -44.500 deg] 
measure for 7.0 seconds; frame angle 0.50 degrees, wavelength=0.71073>
<Phi   scan: start= 348.0; len= 184.0; end= 532.0 at [Counterclockwise Eulerian 
angles: dx= 50.00 mm theta=   6.489 deg omega=   3.955 deg chi= -44.500 deg] 
measure for 7.0 seconds; frame angle 0.50 degrees, wavelength=0.71073>
<Omega scan: start=   5.0; len= 122.5; end= 127.5 at [Counterclockwise Eulerian 
angles: dx= 50.00 mm theta=   6.489 deg phi= 360.000 deg chi= -44.500 deg] 
measure for 7.0 seconds; frame angle 0.50 degrees, wavelength=0.71073>
<Phi   scan: start= 360.0; len= 180.0; end= 540.0 at [Counterclockwise Eulerian 
angles: dx= 50.00 mm theta=   0.000 deg omega=   0.000 deg chi=  54.740 deg] 
measure for 1.0 seconds; frame angle 1.00 degrees, wavelength=0.71073>
;
_diffrn_measurement_bruker_total_exposure_time 10837.0
_diffrn_reflns_number            26153
_diffrn_reflns_av_unetI/netI     0.0196
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_theta_min         2.2
_diffrn_reflns_theta_max         26.407
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_reduction_process narrow-frame
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_bruker_av_norm_I  1553.898
_diffrn_reflns_bruker_number_gt  32176
_reflns_number_total             2679
_reflns_number_gt                2575
_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       ?
_computing_cell_refinement       'SAINT V8.41 (Bruker AXS LLC)'
_computing_data_reduction        'SAINT V8.41 (Bruker AXS LLC)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 1503)'
_computing_publication_material  ?
_computing_bruker_data_scaling   
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction'
_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)+(0.0748P)²+5.6799P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'Intrinsic Phasing'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         2679
_refine_ls_number_parameters     178
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0434
_refine_ls_R_factor_gt           0.0423
_refine_ls_wR_factor_ref         0.1277
_refine_ls_wR_factor_gt          0.1269
_refine_ls_goodness_of_fit_ref   1.181
_refine_ls_restrained_S_all      1.181
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.600
_refine_diff_density_min         -0.454
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_geom_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.
;
_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_
_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 0.500000 0.55658(5) 0.750000 0.02090(17) Uani 1 2 d S T P . .
N1 N 0.59431(10) 0.6450(3) 0.72754(11) 0.0163(4) Uani 1 1 d . . . . .
N2 N 0.49100(10) 0.3960(3) 0.66158(11) 0.0168(4) Uani 1 1 d . . . . .
N3 N 0.54684(10) 0.3959(3) 0.61628(11) 0.0165(4) Uani 1 1 d . . . . .
C1 C 0.64223(13) 0.7022(3) 0.78356(13) 0.0158(5) Uani 1 1 d . . . . .
C2 C 0.71781(13) 0.7020(4) 0.77998(14) 0.0213(5) Uani 1 1 d . . . . .
H2 H 0.738474 0.659807 0.737681 0.026 Uiso 1 1 calc R U . . .
C3 C 0.76239(14) 0.7624(4) 0.83717(15) 0.0268(6) Uani 1 1 d . . . . .
H3 H 0.813148 0.764415 0.832810 0.032 Uiso 1 1 calc R U . . .
C4 C 0.73456(15) 0.8201(4) 0.90083(15) 0.0263(6) Uani 1 1 d . . . . .
H4 H 0.765589 0.862738 0.939606 0.032 Uiso 1 1 calc R U . . .
C5 C 0.66062(15) 0.8142(4) 0.90644(14) 0.0242(6) Uani 1 1 d . . . . .
H5 H 0.640682 0.850656 0.949981 0.029 Uiso 1 1 calc R U . . .
C6 C 0.61507(13) 0.7554(3) 0.84903(13) 0.0200(5) Uani 1 1 d . . . . .
H6 H 0.564477 0.751136 0.854312 0.024 Uiso 1 1 calc R U . . .
C7 C 0.58580(13) 0.5508(3) 0.60069(13) 0.0172(5) Uani 1 1 d . . . . .
C8 C 0.61183(12) 0.6665(3) 0.65602(13) 0.0165(5) Uani 1 1 d . . . . .
C9 C 0.46196(13) 0.2344(4) 0.65762(14) 0.0204(5) Uani 1 1 d . . . . .
C10 C 0.49910(14) 0.1296(4) 0.60987(15) 0.0249(6) Uani 1 1 d . . . . .
H10 H 0.489607 0.010381 0.597360 0.030 Uiso 1 1 calc R U . . .
C11 C 0.55189(14) 0.2354(4) 0.58515(14) 0.0233(5) Uani 1 1 d . . . . .
H11 H 0.586280 0.202093 0.551796 0.028 Uiso 1 1 calc R U . . .
C12 C 0.39911(15) 0.1916(4) 0.70145(15) 0.0269(6) Uani 1 1 d . . . . .
H12A H 0.360871 0.136505 0.670379 0.040 Uiso 1 1 calc R U . . .
H12B H 0.380666 0.299804 0.722271 0.040 Uiso 1 1 calc R U . . .
H12C H 0.414656 0.110384 0.740379 0.040 Uiso 1 1 calc R U . . .
C13 C 0.60152(14) 0.5766(4) 0.52845(14) 0.0235(6) Uani 1 1 d . . . . .
H13 H 0.582177 0.498384 0.492294 0.028 Uiso 1 1 calc R U . . .
C14 C 0.64485(14) 0.7145(4) 0.50936(15) 0.0279(6) Uani 1 1 d . . . . .
H14 H 0.656417 0.729992 0.460568 0.033 Uiso 1 1 calc R U . . .
C15 C 0.67136(14) 0.8307(4) 0.56271(15) 0.0269(6) Uani 1 1 d . . . . .
H15 H 0.701630 0.925333 0.550264 0.032 Uiso 1 1 calc R U . . .
C16 C 0.65397(14) 0.8094(4) 0.63359(14) 0.0225(5) Uani 1 1 d . . . . .
H16 H 0.670872 0.893604 0.668491 0.027 Uiso 1 1 calc R U . . .


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 1.9432(19) . ?
Ge1 N1 1.9433(19) 2_656 ?
Ge1 N2 2.043(2) . ?
Ge1 N2 2.043(2) 2_656 ?
N1 C8 1.394(3) . ?
N1 C1 1.395(3) . ?
N2 C9 1.343(3) . ?
N2 N3 1.373(3) . ?
N3 C11 1.356(3) . ?
N3 C7 1.421(3) . ?
C1 C6 1.403(3) . ?
C1 C2 1.408(3) . ?
C2 C3 1.383(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.389(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.392(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C13 1.402(3) . ?
C7 C8 1.414(4) . ?
C8 C16 1.417(4) . ?
C9 C10 1.403(4) . ?
C9 C12 1.497(3) . ?
C10 C11 1.368(4) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.381(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.394(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.382(4) . ?
C15 H15 0.9500 . ?
C16 H16 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 N1 139.50(13) . 2_656 ?
N1 Ge1 N2 93.73(8) . . ?
N1 Ge1 N2 110.41(8) 2_656 . ?
N1 Ge1 N2 110.41(8) . 2_656 ?
N1 Ge1 N2 93.74(8) 2_656 2_656 ?
N2 Ge1 N2 106.57(13) . 2_656 ?
C8 N1 C1 119.79(19) . . ?
C8 N1 Ge1 120.66(16) . . ?
C1 N1 Ge1 119.29(15) . . ?
C9 N2 N3 106.3(2) . . ?
C9 N2 Ge1 127.17(17) . . ?
N3 N2 Ge1 117.63(15) . . ?
C11 N3 N2 109.6(2) . . ?
C11 N3 C7 127.6(2) . . ?
N2 N3 C7 122.4(2) . . ?
N1 C1 C6 119.2(2) . . ?
N1 C1 C2 123.7(2) . . ?
C6 C1 C2 116.9(2) . . ?
C3 C2 C1 120.9(2) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C2 C3 C4 121.4(2) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C5 C4 C3 118.4(2) . . ?
C5 C4 H4 120.8 . . ?
C3 C4 H4 120.8 . . ?
C4 C5 C6 120.8(2) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 121.4(2) . . ?
C5 C6 H6 119.3 . . ?
C1 C6 H6 119.3 . . ?
C13 C7 C8 121.6(2) . . ?
C13 C7 N3 116.6(2) . . ?
C8 C7 N3 121.6(2) . . ?
N1 C8 C7 121.9(2) . . ?
N1 C8 C16 122.3(2) . . ?
C7 C8 C16 115.8(2) . . ?
N2 C9 C10 110.1(2) . . ?
N2 C9 C12 119.5(2) . . ?
C10 C9 C12 130.4(3) . . ?
C11 C10 C9 105.4(2) . . ?
C11 C10 H10 127.3 . . ?
C9 C10 H10 127.3 . . ?
N3 C11 C10 108.5(2) . . ?
N3 C11 H11 125.7 . . ?
C10 C11 H11 125.7 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C7 120.6(3) . . ?
C14 C13 H13 119.7 . . ?
C7 C13 H13 119.7 . . ?
C13 C14 C15 119.0(2) . . ?
C13 C14 H14 120.5 . . ?
C15 C14 H14 120.5 . . ?
C16 C15 C14 120.5(3) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C15 C16 C8 122.3(3) . . ?
C15 C16 H16 118.8 . . ?
C8 C16 H16 118.8 . . ?

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
C9 N2 N3 C11 -0.2(3) . . . . ?
Ge1 N2 N3 C11 149.60(17) . . . . ?
C9 N2 N3 C7 173.4(2) . . . . ?
Ge1 N2 N3 C7 -36.8(3) . . . . ?
C8 N1 C1 C6 151.3(2) . . . . ?
Ge1 N1 C1 C6 -22.9(3) . . . . ?
C8 N1 C1 C2 -32.1(3) . . . . ?
Ge1 N1 C1 C2 153.7(2) . . . . ?
N1 C1 C2 C3 179.3(2) . . . . ?
C6 C1 C2 C3 -4.0(4) . . . . ?
C1 C2 C3 C4 2.0(4) . . . . ?
C2 C3 C4 C5 0.8(4) . . . . ?
C3 C4 C5 C6 -1.4(4) . . . . ?
C4 C5 C6 C1 -0.7(4) . . . . ?
N1 C1 C6 C5 -179.7(2) . . . . ?
C2 C1 C6 C5 3.4(4) . . . . ?
C11 N3 C7 C13 35.2(4) . . . . ?
N2 N3 C7 C13 -137.1(2) . . . . ?
C11 N3 C7 C8 -140.4(3) . . . . ?
N2 N3 C7 C8 47.2(3) . . . . ?
C1 N1 C8 C7 151.2(2) . . . . ?
Ge1 N1 C8 C7 -34.7(3) . . . . ?
C1 N1 C8 C16 -31.7(3) . . . . ?
Ge1 N1 C8 C16 142.45(19) . . . . ?
C13 C7 C8 N1 177.7(2) . . . . ?
N3 C7 C8 N1 -6.8(3) . . . . ?
C13 C7 C8 C16 0.4(3) . . . . ?
N3 C7 C8 C16 175.9(2) . . . . ?
N3 N2 C9 C10 0.1(3) . . . . ?
Ge1 N2 C9 C10 -145.83(19) . . . . ?
N3 N2 C9 C12 179.9(2) . . . . ?
Ge1 N2 C9 C12 34.0(3) . . . . ?
N2 C9 C10 C11 0.0(3) . . . . ?
C12 C9 C10 C11 -179.8(3) . . . . ?
N2 N3 C11 C10 0.1(3) . . . . ?
C7 N3 C11 C10 -173.0(2) . . . . ?
C9 C10 C11 N3 -0.1(3) . . . . ?
C8 C7 C13 C14 1.7(4) . . . . ?
N3 C7 C13 C14 -173.9(2) . . . . ?
C7 C13 C14 C15 -1.6(4) . . . . ?
C13 C14 C15 C16 -0.7(4) . . . . ?
C14 C15 C16 C8 2.9(4) . . . . ?
N1 C8 C16 C15 180.0(2) . . . . ?
C7 C8 C16 C15 -2.7(4) . . . . ?

####################################################################### 
# 
# 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_mo_Jogendra_Pyge_a
_database_code_depnum_ccdc_archive 'CCDC 2497009'
loop_
_audit_author_name
_audit_author_address
'Jogendrananda Barik'
;IIT Madras
India
;
_audit_update_record             
;
2025-10-21 deposited with the CCDC.	2026-01-23 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         ?
_chemical_formula_sum            'C3.38 H4.92 Ge0.15 N0.62 Si0.31'
_chemical_formula_weight         74.04

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   9.2899(5)
_cell_length_b                   13.6579(9)
_cell_length_c                   19.1626(13)
_cell_angle_alpha                90
_cell_angle_beta                 102.816(2)
_cell_angle_gamma                90
_cell_volume                     2370.8(3)
_cell_formula_units_Z            26
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    3722
_cell_measurement_theta_min      3.74
_cell_measurement_theta_max      28.39
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_F_000             1008
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.409
_shelx_estimated_absorpt_T_min   0.661
_shelx_estimated_absorpt_T_max   0.896
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Four-circle Kappa diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            83556
_diffrn_reflns_av_unetI/netI     0.0197
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.180
_diffrn_reflns_theta_max         28.307
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5893
_reflns_number_gt                5465
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2019/1 (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)+(0.0372P)²+0.9433P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5893
_refine_ls_number_parameters     269
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0239
_refine_ls_R_factor_gt           0.0218
_refine_ls_wR_factor_ref         0.0640
_refine_ls_wR_factor_gt          0.0630
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.001
_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
C1 C 0.51220(12) 0.38981(8) 0.28316(7) 0.0135(2) Uani 1 1 d . . . . .
C2 C 0.59595(12) 0.47336(9) 0.30838(6) 0.0144(2) Uani 1 1 d . . . . .
H2 H 0.613271 0.489870 0.357703 0.017 Uiso 1 1 calc R U . . .
C3 C 0.65381(12) 0.53219(9) 0.26209(7) 0.0159(2) Uani 1 1 d . . . . .
H3 H 0.710956 0.587940 0.280432 0.019 Uiso 1 1 calc R U . . .
C4 C 0.62961(13) 0.51096(10) 0.18942(7) 0.0186(2) Uani 1 1 d . . . . .
H4 H 0.668746 0.551762 0.157998 0.022 Uiso 1 1 calc R U . . .
C5 C 0.54681(14) 0.42863(10) 0.16397(7) 0.0203(3) Uani 1 1 d . . . . .
H5 H 0.529210 0.413063 0.114484 0.024 Uiso 1 1 calc R U . . .
C6 C 0.48927(13) 0.36867(10) 0.20956(7) 0.0175(2) Uani 1 1 d . . . . .
H6 H 0.433581 0.312501 0.190836 0.021 Uiso 1 1 calc R U . . .
C7 C 0.41675(12) 0.23404(9) 0.31069(6) 0.0134(2) Uani 1 1 d . . . . .
C8 C 0.27391(12) 0.19823(9) 0.30602(6) 0.0128(2) Uani 1 1 d . . . . .
C9 C 0.23831(13) 0.10002(9) 0.29196(7) 0.0151(2) Uani 1 1 d . . . . .
H9 H 0.140967 0.077325 0.290357 0.018 Uiso 1 1 calc R U . . .
C10 C 0.34571(13) 0.03583(9) 0.28035(7) 0.0171(2) Uani 1 1 d . . . . .
H10 H 0.322279 -0.031091 0.270068 0.021 Uiso 1 1 calc R U . . .
C11 C 0.48866(13) 0.06992(9) 0.28383(7) 0.0183(2) Uani 1 1 d . . . . .
H11 H 0.562595 0.026072 0.275678 0.022 Uiso 1 1 calc R U . . .
C12 C 0.52335(13) 0.16707(9) 0.29907(7) 0.0169(2) Uani 1 1 d . . . . .
H12 H 0.621488 0.188956 0.301718 0.020 Uiso 1 1 calc R U . . .
C13 C 0.14896(15) 0.15353(11) 0.45889(7) 0.0245(3) Uani 1 1 d . . . . .
H13A H 0.083852 0.199801 0.427792 0.037 Uiso 1 1 calc R U . . .
H13B H 0.093056 0.118934 0.489060 0.037 Uiso 1 1 calc R U . . .
H13C H 0.187989 0.106104 0.429434 0.037 Uiso 1 1 calc R U . . .
C14 C 0.01699(12) 0.26177(9) 0.27574(7) 0.0159(2) Uani 1 1 d . . . . .
H14 H -0.024310 0.216314 0.239251 0.019 Uiso 1 1 calc R U . . .
C15 C -0.05710(13) 0.33710(9) 0.30015(7) 0.0170(2) Uani 1 1 d . . . . .
H15 H -0.158476 0.353553 0.284375 0.020 Uiso 1 1 calc R U . . .
C16 C 0.04804(13) 0.38444(8) 0.35307(7) 0.0146(2) Uani 1 1 d . . . . .
C17 C 0.73734(14) 0.33838(12) 0.46530(8) 0.0271(3) Uani 1 1 d . . . . .
H17A H 0.720403 0.319267 0.414835 0.041 Uiso 1 1 calc R U . . .
H17B H 0.842004 0.329956 0.488013 0.041 Uiso 1 1 calc R U . . .
H17C H 0.709523 0.407142 0.468667 0.041 Uiso 1 1 calc R U . . .
C18 C 0.38965(17) 0.12884(11) 0.58595(8) 0.0291(3) Uani 1 1 d . . . . .
H18A H 0.422798 0.072220 0.562285 0.044 Uiso 1 1 calc R U . . .
H18B H 0.315848 0.107726 0.612249 0.044 Uiso 1 1 calc R U . . .
H18C H 0.474133 0.157878 0.619364 0.044 Uiso 1 1 calc R U . . .
C19 C 0.22268(18) 0.31976(12) 0.56420(9) 0.0317(3) Uani 1 1 d . . . . .
H19A H 0.172269 0.367834 0.529224 0.048 Uiso 1 1 calc R U . . .
H19B H 0.300796 0.352378 0.599275 0.048 Uiso 1 1 calc R U . . .
H19C H 0.151468 0.290256 0.588797 0.048 Uiso 1 1 calc R U . . .
C20 C 0.02930(14) 0.47331(9) 0.39552(7) 0.0198(2) Uani 1 1 d . . . . .
H20A H -0.028097 0.522502 0.363856 0.030 Uiso 1 1 calc R U . . .
H20B H 0.126493 0.500224 0.417658 0.030 Uiso 1 1 calc R U . . .
H20C H -0.022791 0.455542 0.432915 0.030 Uiso 1 1 calc R U . . .
C21 C 0.67474(16) 0.30220(11) 0.60746(7) 0.0265(3) Uani 1 1 d . . . . .
H21A H 0.781838 0.311803 0.621374 0.040 Uiso 1 1 calc R U . . .
H21B H 0.644920 0.252905 0.638638 0.040 Uiso 1 1 calc R U . . .
H21C H 0.624667 0.364208 0.612176 0.040 Uiso 1 1 calc R U . . .
C22 C 0.68850(18) 0.13132(12) 0.50487(9) 0.0322(3) Uani 1 1 d . . . . .
H22A H 0.648680 0.106380 0.456484 0.048 Uiso 1 1 calc R U . . .
H22B H 0.654786 0.089752 0.539758 0.048 Uiso 1 1 calc R U . . .
H22C H 0.796615 0.130651 0.514639 0.048 Uiso 1 1 calc R U . . .
Ge1 Ge 0.39152(2) 0.38611(2) 0.41327(2) 0.01243(5) Uani 1 1 d . . . . .
N1 N 0.45112(11) 0.33218(7) 0.32929(5) 0.01397(19) Uani 1 1 d . . . . .
N2 N 0.43494(11) 0.27242(8) 0.47441(5) 0.01491(19) Uani 1 1 d . . . . .
N3 N 0.15882(10) 0.26384(7) 0.31279(5) 0.01255(19) Uani 1 1 d . . . . .
N4 N 0.17876(11) 0.33884(7) 0.36113(5) 0.01300(19) Uani 1 1 d . . . . .
Si1 Si 0.30581(4) 0.22193(3) 0.51702(2) 0.01595(8) Uani 1 1 d . . . . .
Si2 Si 0.62260(4) 0.25942(3) 0.51197(2) 0.01706(8) Uani 1 1 d . . . . .


_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
C1 N1 1.3948(15) . ?
C1 C2 1.4051(16) . ?
C1 C6 1.4089(17) . ?
C2 C3 1.3903(17) . ?
C2 H2 0.9500 . ?
C3 C4 1.3910(18) . ?
C3 H3 0.9500 . ?
C4 C5 1.3883(18) . ?
C4 H4 0.9500 . ?
C5 C6 1.3880(18) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.3983(15) . ?
C7 C12 1.4017(16) . ?
C7 N1 1.4055(15) . ?
C8 C9 1.3935(16) . ?
C8 N3 1.4229(14) . ?
C9 C10 1.3827(17) . ?
C9 H9 0.9500 . ?
C10 C11 1.3948(17) . ?
C10 H10 0.9500 . ?
C11 C12 1.3813(18) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 Si1 1.8753(14) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 N3 1.3512(14) . ?
C14 C15 1.3761(17) . ?
C14 H14 0.9500 . ?
C15 C16 1.4005(17) . ?
C15 H15 0.9500 . ?
C16 N4 1.3429(15) . ?
C16 C20 1.4926(17) . ?
C17 Si2 1.8766(14) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 Si1 1.8739(15) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 Si1 1.8733(15) . ?
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 Si2 1.8793(14) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 Si2 1.8685(16) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
Ge1 N2 1.9331(10) . ?
Ge1 N1 1.9581(10) . ?
Ge1 N4 2.1085(10) . ?
N2 Si1 1.7366(11) . ?
N2 Si2 1.7412(11) . ?
N3 N4 1.3659(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
N1 C1 C2 120.82(11) . . ?
N1 C1 C6 121.76(11) . . ?
C2 C1 C6 117.39(11) . . ?
C3 C2 C1 120.85(11) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C2 C3 C4 121.25(11) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C5 C4 C3 118.32(11) . . ?
C5 C4 H4 120.8 . . ?
C3 C4 H4 120.8 . . ?
C6 C5 C4 121.17(12) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C5 C6 C1 121.02(12) . . ?
C5 C6 H6 119.5 . . ?
C1 C6 H6 119.5 . . ?
C8 C7 C12 117.10(11) . . ?
C8 C7 N1 120.58(10) . . ?
C12 C7 N1 122.26(10) . . ?
C9 C8 C7 122.02(11) . . ?
C9 C8 N3 118.23(10) . . ?
C7 C8 N3 119.70(10) . . ?
C10 C9 C8 119.52(11) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C9 C10 C11 119.60(11) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C12 C11 C10 120.39(11) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C11 C12 C7 121.36(11) . . ?
C11 C12 H12 119.3 . . ?
C7 C12 H12 119.3 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N3 C14 C15 107.98(11) . . ?
N3 C14 H14 126.0 . . ?
C15 C14 H14 126.0 . . ?
C14 C15 C16 105.68(10) . . ?
C14 C15 H15 127.2 . . ?
C16 C15 H15 127.2 . . ?
N4 C16 C15 109.68(10) . . ?
N4 C16 C20 121.75(11) . . ?
C15 C16 C20 128.55(11) . . ?
Si2 C17 H17A 109.5 . . ?
Si2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si1 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si1 C19 H19A 109.5 . . ?
Si1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N2 Ge1 N1 97.87(4) . . ?
N2 Ge1 N4 95.10(4) . . ?
N1 Ge1 N4 84.35(4) . . ?
C1 N1 C7 118.62(10) . . ?
C1 N1 Ge1 122.52(8) . . ?
C7 N1 Ge1 118.52(8) . . ?
Si1 N2 Si2 119.86(6) . . ?
Si1 N2 Ge1 122.06(6) . . ?
Si2 N2 Ge1 112.80(5) . . ?
C14 N3 N4 109.99(9) . . ?
C14 N3 C8 127.14(10) . . ?
N4 N3 C8 122.85(9) . . ?
C16 N4 N3 106.66(9) . . ?
C16 N4 Ge1 129.88(8) . . ?
N3 N4 Ge1 121.53(7) . . ?
N2 Si1 C19 110.21(6) . . ?
N2 Si1 C18 112.24(6) . . ?
C19 Si1 C18 107.17(8) . . ?
N2 Si1 C13 116.44(6) . . ?
C19 Si1 C13 107.03(7) . . ?
C18 Si1 C13 103.14(7) . . ?
N2 Si2 C22 112.31(7) . . ?
N2 Si2 C17 111.52(6) . . ?
C22 Si2 C17 105.87(8) . . ?
N2 Si2 C21 112.89(6) . . ?
C22 Si2 C21 110.13(7) . . ?
C17 Si2 C21 103.56(7) . . ?

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
N1 C1 C2 C3 -178.40(10) . . . . ?
C6 C1 C2 C3 -0.19(17) . . . . ?
C1 C2 C3 C4 0.65(17) . . . . ?
C2 C3 C4 C5 -0.54(18) . . . . ?
C3 C4 C5 C6 -0.01(19) . . . . ?
C4 C5 C6 C1 0.45(19) . . . . ?
N1 C1 C6 C5 177.85(11) . . . . ?
C2 C1 C6 C5 -0.34(18) . . . . ?
C12 C7 C8 C9 1.32(18) . . . . ?
N1 C7 C8 C9 -176.06(11) . . . . ?
C12 C7 C8 N3 -176.03(11) . . . . ?
N1 C7 C8 N3 6.59(17) . . . . ?
C7 C8 C9 C10 -1.70(18) . . . . ?
N3 C8 C9 C10 175.68(11) . . . . ?
C8 C9 C10 C11 0.87(19) . . . . ?
C9 C10 C11 C12 0.3(2) . . . . ?
C10 C11 C12 C7 -0.6(2) . . . . ?
C8 C7 C12 C11 -0.15(18) . . . . ?
N1 C7 C12 C11 177.19(12) . . . . ?
N3 C14 C15 C16 0.48(14) . . . . ?
C14 C15 C16 N4 -1.03(14) . . . . ?
C14 C15 C16 C20 177.59(12) . . . . ?
C2 C1 N1 C7 -156.96(11) . . . . ?
C6 C1 N1 C7 24.91(16) . . . . ?
C2 C1 N1 Ge1 29.91(15) . . . . ?
C6 C1 N1 Ge1 -148.22(9) . . . . ?
C8 C7 N1 C1 -124.38(12) . . . . ?
C12 C7 N1 C1 58.36(16) . . . . ?
C8 C7 N1 Ge1 49.02(14) . . . . ?
C12 C7 N1 Ge1 -128.23(11) . . . . ?
C15 C14 N3 N4 0.22(14) . . . . ?
C15 C14 N3 C8 178.74(11) . . . . ?
C9 C8 N3 C14 -35.85(17) . . . . ?
C7 C8 N3 C14 141.60(12) . . . . ?
C9 C8 N3 N4 142.49(11) . . . . ?
C7 C8 N3 N4 -40.06(16) . . . . ?
C15 C16 N4 N3 1.17(13) . . . . ?
C20 C16 N4 N3 -177.56(11) . . . . ?
C15 C16 N4 Ge1 165.18(8) . . . . ?
C20 C16 N4 Ge1 -13.55(17) . . . . ?
C14 N3 N4 C16 -0.86(13) . . . . ?
C8 N3 N4 C16 -179.46(10) . . . . ?
C14 N3 N4 Ge1 -166.51(8) . . . . ?
C8 N3 N4 Ge1 14.89(14) . . . . ?
Si2 N2 Si1 C19 103.03(8) . . . . ?
Ge1 N2 Si1 C19 -49.47(9) . . . . ?
Si2 N2 Si1 C18 -16.33(10) . . . . ?
Ge1 N2 Si1 C18 -168.83(7) . . . . ?
Si2 N2 Si1 C13 -134.86(8) . . . . ?
Ge1 N2 Si1 C13 72.64(9) . . . . ?
Si1 N2 Si2 C22 71.47(9) . . . . ?
Ge1 N2 Si2 C22 -133.64(7) . . . . ?
Si1 N2 Si2 C17 -169.87(7) . . . . ?
Ge1 N2 Si2 C17 -14.99(8) . . . . ?
Si1 N2 Si2 C21 -53.77(9) . . . . ?
Ge1 N2 Si2 C21 101.12(7) . . . . ?

_refine_diff_density_max         0.357
_refine_diff_density_min         -0.344
_refine_diff_density_rms         0.053

