# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2328314'
loop_
_audit_author_name
_audit_author_address
'Hari Pada Nayek'
;Indian Institute of Technology (ISM) Dhanbad
India
;
_audit_update_record             
;
2024-01-25 deposited with the CCDC.	2024-02-20 downloaded from the CCDC.
;
_audit_creation_date             2023-08-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H18 Ge N2 O4'
_chemical_formula_sum            'C25 H18 Ge N2 O4'
_chemical_formula_weight         483.00
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.9042(8)
_cell_length_b                   9.6253(9)
_cell_length_c                   14.8290(13)
_cell_angle_alpha                78.913(7)
_cell_angle_beta                 89.952(8)
_cell_angle_gamma                73.801(8)
_cell_volume                     1061.51(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5488
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4910
_cell_measurement_theta_min      2.6670
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.479
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69404
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             492
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0774
_diffrn_reflns_av_unetI/netI     0.0690
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16290
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         2.249
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3548
_reflns_number_total             4609
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.054
_refine_diff_density_min         -0.680
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4609
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_gt           0.0535
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0850P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1420
_refine_ls_wR_factor_ref         0.1522
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C2(H4), C3(H5), C4(H6), C5(H7), C7(H9), C9(H26), C11(H28), C12(H29), C15(H15),
  C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C23(H23),
 C24(H24), C25(H25)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 1.0323(5) 0.4895(4) 0.8292(2) 0.0372(8) Uani 1 1 d . . . . .
C2 C 1.2077(5) 0.4048(4) 0.8418(3) 0.0456(9) Uani 1 1 d . . . . .
H4 H 1.247042 0.327609 0.810657 0.055 Uiso 1 1 calc R U . . .
C3 C 1.3237(5) 0.4338(5) 0.8997(3) 0.0494(10) Uani 1 1 d . . . . .
H5 H 1.440439 0.375598 0.907415 0.059 Uiso 1 1 calc R U . . .
C4 C 1.2690(5) 0.5483(4) 0.9465(3) 0.0468(10) Uani 1 1 d . . . . .
H6 H 1.348889 0.567148 0.985137 0.056 Uiso 1 1 calc R U . . .
C5 C 1.0982(5) 0.6335(4) 0.9360(3) 0.0400(8) Uani 1 1 d . . . . .
H7 H 1.061598 0.709929 0.967960 0.048 Uiso 1 1 calc R U . . .
C6 C 0.9760(5) 0.6066(4) 0.8766(2) 0.0343(8) Uani 1 1 d . . . . .
C7 C 0.7994(4) 0.6942(4) 0.8704(2) 0.0341(8) Uani 1 1 d . . . . .
H9 H 0.770904 0.762140 0.908899 0.041 Uiso 1 1 calc R U . . .
C8 C 0.4969(4) 0.7828(3) 0.8168(2) 0.0310(7) Uani 1 1 d . . . . .
C9 C 0.4297(5) 0.8639(4) 0.8819(2) 0.0357(8) Uani 1 1 d . . . . .
H26 H 0.499493 0.861796 0.932883 0.043 Uiso 1 1 calc R U . . .
C10 C 0.2552(5) 0.9491(4) 0.8698(3) 0.0384(8) Uani 1 1 d . . . . .
C11 C 0.1468(5) 0.9504(4) 0.7954(3) 0.0408(9) Uani 1 1 d . . . . .
H28 H 0.029701 1.007632 0.789242 0.049 Uiso 1 1 calc R U . . .
C12 C 0.2129(5) 0.8672(4) 0.7312(3) 0.0408(9) Uani 1 1 d . . . . .
H29 H 0.139792 0.865544 0.682519 0.049 Uiso 1 1 calc R U . . .
C13 C 0.3903(5) 0.7847(4) 0.7390(2) 0.0343(8) Uani 1 1 d . . . . .
C14 C 0.8154(5) 0.6840(4) 0.6139(2) 0.0397(8) Uani 1 1 d . . . . .
C15 C 0.9785(6) 0.6160(5) 0.5869(3) 0.0553(11) Uani 1 1 d . . . . .
H15 H 1.037760 0.520451 0.616842 0.066 Uiso 1 1 calc R U . . .
C16 C 1.0571(7) 0.6880(6) 0.5152(3) 0.0688(14) Uani 1 1 d . . . . .
H16 H 1.167561 0.640363 0.497359 0.083 Uiso 1 1 calc R U . . .
C17 C 0.9706(7) 0.8289(6) 0.4712(3) 0.0672(13) Uani 1 1 d . . . . .
H17 H 1.021801 0.876706 0.422867 0.081 Uiso 1 1 calc R U . . .
C18 C 0.8093(7) 0.8995(5) 0.4981(4) 0.0678(13) Uani 1 1 d . . . . .
H18 H 0.751998 0.995789 0.468777 0.081 Uiso 1 1 calc R U . . .
C19 C 0.7311(6) 0.8283(4) 0.5687(3) 0.0521(10) Uani 1 1 d . . . . .
H19 H 0.620968 0.877077 0.586275 0.063 Uiso 1 1 calc R U . . .
C20 C 0.6270(5) 0.4103(4) 0.7018(2) 0.0364(8) Uani 1 1 d . . . . .
C21 C 0.6893(5) 0.2751(4) 0.7615(3) 0.0499(10) Uani 1 1 d . . . . .
H21 H 0.773934 0.263366 0.807998 0.060 Uiso 1 1 calc R U . . .
C22 C 0.6273(6) 0.1576(5) 0.7526(4) 0.0670(13) Uani 1 1 d . . . . .
H22 H 0.668019 0.068229 0.794160 0.080 Uiso 1 1 calc R U . . .
C23 C 0.5055(7) 0.1719(5) 0.6826(4) 0.0678(14) Uani 1 1 d . . . . .
H23 H 0.464707 0.092205 0.676547 0.081 Uiso 1 1 calc R U . . .
C24 C 0.4446(7) 0.3046(5) 0.6218(3) 0.0638(13) Uani 1 1 d . . . . .
H24 H 0.363672 0.314377 0.573794 0.077 Uiso 1 1 calc R U . . .
C25 C 0.5039(6) 0.4238(4) 0.6320(3) 0.0503(10) Uani 1 1 d . . . . .
H25 H 0.460403 0.513830 0.591393 0.060 Uiso 1 1 calc R U . . .
N1 N 0.6709(4) 0.6899(3) 0.81602(19) 0.0347(6) Uani 1 1 d . . . . .
N2 N 0.1847(4) 1.0371(4) 0.9368(2) 0.0479(8) Uani 1 1 d . . . . .
O1 O 0.9210(3) 0.4550(3) 0.77664(18) 0.0451(6) Uani 1 1 d . . . . .
O2 O 0.4645(3) 0.7120(3) 0.67744(18) 0.0435(6) Uani 1 1 d . . . . .
O31 O 0.2798(4) 1.0305(4) 1.0042(2) 0.0683(9) Uani 1 1 d . . . . .
O32 O 0.0317(4) 1.1158(3) 0.9246(2) 0.0621(8) Uani 1 1 d . . . . .
Ge1 Ge 0.70694(5) 0.58120(4) 0.71195(2) 0.03626(16) 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 C2 1.390(5) . ?
C1 C6 1.408(5) . ?
C1 O1 1.326(4) . ?
C2 H4 0.9300 . ?
C2 C3 1.375(5) . ?
C3 H5 0.9300 . ?
C3 C4 1.383(6) . ?
C4 H6 0.9300 . ?
C4 C5 1.361(5) . ?
C5 H7 0.9300 . ?
C5 C6 1.416(5) . ?
C6 C7 1.408(5) . ?
C7 H9 0.9300 . ?
C7 N1 1.312(4) . ?
C8 C9 1.371(5) . ?
C8 C13 1.424(5) . ?
C8 N1 1.417(4) . ?
C9 H26 0.9300 . ?
C9 C10 1.386(5) . ?
C10 C11 1.394(5) . ?
C10 N2 1.441(5) . ?
C11 H28 0.9300 . ?
C11 C12 1.371(5) . ?
C12 H29 0.9300 . ?
C12 C13 1.398(5) . ?
C13 O2 1.297(4) . ?
C14 C15 1.371(5) . ?
C14 C19 1.396(5) . ?
C14 Ge1 1.936(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.398(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.370(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.366(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.381(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.385(5) . ?
C20 C25 1.384(5) . ?
C20 Ge1 1.950(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.379(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.377(7) . ?
C23 H23 0.9300 . ?
C23 C24 1.376(6) . ?
C24 H24 0.9300 . ?
C24 C25 1.388(5) . ?
C25 H25 0.9300 . ?
N1 Ge1 2.003(3) . ?
N2 O31 1.232(4) . ?
N2 O32 1.227(4) . ?
O1 Ge1 1.915(3) . ?
O2 Ge1 1.981(3) . ?

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
C2 C1 C6 118.6(3) . . ?
O1 C1 C2 119.7(3) . . ?
O1 C1 C6 121.7(3) . . ?
C1 C2 H4 119.6 . . ?
C3 C2 C1 120.8(4) . . ?
C3 C2 H4 119.6 . . ?
C2 C3 H5 119.6 . . ?
C2 C3 C4 120.8(4) . . ?
C4 C3 H5 119.6 . . ?
C3 C4 H6 120.0 . . ?
C5 C4 C3 120.0(4) . . ?
C5 C4 H6 120.0 . . ?
C4 C5 H7 119.8 . . ?
C4 C5 C6 120.4(4) . . ?
C6 C5 H7 119.8 . . ?
C1 C6 C5 119.4(3) . . ?
C7 C6 C1 122.2(3) . . ?
C7 C6 C5 118.3(3) . . ?
C6 C7 H9 116.6 . . ?
N1 C7 C6 126.7(3) . . ?
N1 C7 H9 116.6 . . ?
C9 C8 C13 121.1(3) . . ?
C9 C8 N1 127.2(3) . . ?
N1 C8 C13 111.7(3) . . ?
C8 C9 H26 120.8 . . ?
C8 C9 C10 118.3(3) . . ?
C10 C9 H26 120.8 . . ?
C9 C10 C11 121.8(3) . . ?
C9 C10 N2 118.7(3) . . ?
C11 C10 N2 119.6(3) . . ?
C10 C11 H28 120.0 . . ?
C12 C11 C10 120.0(3) . . ?
C12 C11 H28 120.0 . . ?
C11 C12 H29 120.0 . . ?
C11 C12 C13 119.9(3) . . ?
C13 C12 H29 120.0 . . ?
C12 C13 C8 118.9(3) . . ?
O2 C13 C8 118.0(3) . . ?
O2 C13 C12 123.2(3) . . ?
C15 C14 C19 118.1(4) . . ?
C15 C14 Ge1 120.4(3) . . ?
C19 C14 Ge1 121.5(3) . . ?
C14 C15 H15 119.5 . . ?
C14 C15 C16 121.0(4) . . ?
C16 C15 H15 119.5 . . ?
C15 C16 H16 120.2 . . ?
C17 C16 C15 119.7(5) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.1(5) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.3(5) . . ?
C19 C18 H18 119.9 . . ?
C14 C19 H19 119.6 . . ?
C18 C19 C14 120.8(4) . . ?
C18 C19 H19 119.6 . . ?
C21 C20 Ge1 122.7(3) . . ?
C25 C20 C21 118.5(3) . . ?
C25 C20 Ge1 118.9(3) . . ?
C20 C21 H21 119.6 . . ?
C22 C21 C20 120.7(4) . . ?
C22 C21 H21 119.6 . . ?
C21 C22 H22 119.8 . . ?
C23 C22 C21 120.4(4) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 120.2 . . ?
C24 C23 C22 119.7(4) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.0(4) . . ?
C25 C24 H24 120.0 . . ?
C20 C25 C24 120.8(4) . . ?
C20 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C7 N1 C8 121.6(3) . . ?
C7 N1 Ge1 124.0(2) . . ?
C8 N1 Ge1 113.7(2) . . ?
O31 N2 C10 118.9(3) . . ?
O32 N2 C10 118.6(3) . . ?
O32 N2 O31 122.5(3) . . ?
C1 O1 Ge1 128.3(2) . . ?
C13 O2 Ge1 115.6(2) . . ?
C14 Ge1 C20 123.58(14) . . ?
C14 Ge1 N1 109.24(13) . . ?
C14 Ge1 O2 94.90(14) . . ?
C20 Ge1 N1 126.92(13) . . ?
C20 Ge1 O2 90.03(13) . . ?
O1 Ge1 C14 96.97(14) . . ?
O1 Ge1 C20 90.69(13) . . ?
O1 Ge1 N1 87.73(11) . . ?
O1 Ge1 O2 165.25(11) . . ?
O2 Ge1 N1 80.09(11) . . ?

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
C1 C2 C3 C4 -0.3(6) . . . . ?
C1 C6 C7 N1 -6.7(5) . . . . ?
C2 C1 C6 C5 -0.7(5) . . . . ?
C2 C1 C6 C7 -177.6(3) . . . . ?
C2 C1 O1 Ge1 -155.4(3) . . . . ?
C2 C3 C4 C5 0.4(6) . . . . ?
C3 C4 C5 C6 -0.6(6) . . . . ?
C4 C5 C6 C1 0.8(5) . . . . ?
C4 C5 C6 C7 177.8(3) . . . . ?
C5 C6 C7 N1 176.4(3) . . . . ?
C6 C1 C2 C3 0.5(6) . . . . ?
C6 C1 O1 Ge1 27.5(5) . . . . ?
C6 C7 N1 C8 179.1(3) . . . . ?
C6 C7 N1 Ge1 -11.6(5) . . . . ?
C8 C9 C10 C11 2.0(5) . . . . ?
C8 C9 C10 N2 -178.7(3) . . . . ?
C8 C13 O2 Ge1 10.0(4) . . . . ?
C9 C8 C13 C12 -2.2(5) . . . . ?
C9 C8 C13 O2 176.3(3) . . . . ?
C9 C8 N1 C7 -13.8(5) . . . . ?
C9 C8 N1 Ge1 175.9(3) . . . . ?
C9 C10 C11 C12 -0.8(6) . . . . ?
C9 C10 N2 O31 -2.2(5) . . . . ?
C9 C10 N2 O32 177.9(3) . . . . ?
C10 C11 C12 C13 -2.0(5) . . . . ?
C11 C10 N2 O31 177.2(4) . . . . ?
C11 C10 N2 O32 -2.8(5) . . . . ?
C11 C12 C13 C8 3.4(5) . . . . ?
C11 C12 C13 O2 -175.0(3) . . . . ?
C12 C13 O2 Ge1 -171.6(3) . . . . ?
C13 C8 C9 C10 -0.4(5) . . . . ?
C13 C8 N1 C7 166.3(3) . . . . ?
C13 C8 N1 Ge1 -4.0(3) . . . . ?
C14 C15 C16 C17 0.3(7) . . . . ?
C15 C14 C19 C18 0.7(6) . . . . ?
C15 C16 C17 C18 0.8(8) . . . . ?
C16 C17 C18 C19 -1.1(8) . . . . ?
C17 C18 C19 C14 0.4(7) . . . . ?
C19 C14 C15 C16 -1.0(6) . . . . ?
C20 C21 C22 C23 1.7(7) . . . . ?
C21 C20 C25 C24 -0.2(6) . . . . ?
C21 C22 C23 C24 -0.5(8) . . . . ?
C22 C23 C24 C25 -1.0(8) . . . . ?
C23 C24 C25 C20 1.3(7) . . . . ?
C25 C20 C21 C22 -1.3(6) . . . . ?
N1 C8 C9 C10 179.6(3) . . . . ?
N1 C8 C13 C12 177.8(3) . . . . ?
N1 C8 C13 O2 -3.8(4) . . . . ?
N2 C10 C11 C12 179.9(3) . . . . ?
O1 C1 C2 C3 -176.7(4) . . . . ?
O1 C1 C6 C5 176.4(3) . . . . ?
O1 C1 C6 C7 -0.4(5) . . . . ?
Ge1 C14 C15 C16 178.9(3) . . . . ?
Ge1 C14 C19 C18 -179.2(3) . . . . ?
Ge1 C20 C21 C22 179.1(3) . . . . ?
Ge1 C20 C25 C24 179.4(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2328315'
loop_
_audit_author_name
_audit_author_address
'Hari Pada Nayek'
;Indian Institute of Technology (ISM) Dhanbad
India
;
_audit_update_record             
;
2024-01-25 deposited with the CCDC.	2024-02-20 downloaded from the CCDC.
;
_audit_creation_date             2023-08-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H20 Ge N2 O5'
_chemical_formula_sum            'C26 H20 Ge N2 O5'
_chemical_formula_weight         513.03
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.1870(5)
_cell_length_b                   12.4501(6)
_cell_length_c                   16.3530(8)
_cell_angle_alpha                81.627(4)
_cell_angle_beta                 89.040(4)
_cell_angle_gamma                82.921(4)
_cell_volume                     2236.18(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6161
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.8570
_cell_measurement_theta_min      2.6190
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.412
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_unetI/netI     0.0694
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19042
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         1.937
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5916
_reflns_number_total             9148
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.355
_refine_diff_density_min         -0.333
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.936
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     615
_refine_ls_number_reflns         9148
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0830
_refine_ls_R_factor_gt           0.0418
_refine_ls_restrained_S_all      0.936
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0328P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0741
_refine_ls_wR_factor_ref         0.0825
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C7(H7), C9(H9), C10(H10), C11(H11), C16(H16),
 C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24), C25(H25),
  C26(H26), C28(H28), C29(H29), C31(H31), C33(H33), C35(H35), C36(H36),
 C37(H37), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46), C48(H48), C49(H49),
  C50(H50), C51(H51), C52(H52)
1.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.84975(3) 0.73037(2) 0.50574(2) 0.04499(10) Uani 1 1 d . . . . .
O1 O 0.89946(19) 0.80196(14) 0.39948(12) 0.0601(6) Uani 1 1 d . . . . .
O2 O 0.8218(2) 0.63080(15) 0.60254(12) 0.0690(6) Uani 1 1 d . . . . .
O3 O 0.7456(2) 0.55879(17) 0.75003(13) 0.0747(7) Uani 1 1 d . . . . .
O4 O 1.0160(2) 0.5626(2) 0.09485(15) 0.0938(8) Uani 1 1 d . . . . .
O5 O 0.9431(3) 0.4364(2) 0.17808(15) 0.0928(9) Uani 1 1 d . . . . .
N1 N 0.87261(19) 0.60037(16) 0.44485(13) 0.0410(5) Uani 1 1 d . . . . .
N2 N 0.9700(3) 0.5298(3) 0.16069(18) 0.0673(8) Uani 1 1 d . . . . .
C1 C 0.9131(3) 0.7413(2) 0.33971(18) 0.0477(7) Uani 1 1 d . . . . .
C2 C 0.9384(3) 0.7818(2) 0.25834(19) 0.0580(8) Uani 1 1 d . . . . .
H2 H 0.942776 0.856232 0.243578 0.070 Uiso 1 1 calc R U . . .
C3 C 0.9568(3) 0.7137(3) 0.19984(18) 0.0589(8) Uani 1 1 d . . . . .
H3 H 0.974925 0.740971 0.145666 0.071 Uiso 1 1 calc R U . . .
C4 C 0.9480(3) 0.6035(2) 0.22238(18) 0.0504(7) Uani 1 1 d . . . . .
C5 C 0.9196(2) 0.5606(2) 0.30116(17) 0.0454(7) Uani 1 1 d . . . . .
H5 H 0.912030 0.486502 0.314456 0.054 Uiso 1 1 calc R U . . .
C6 C 0.9025(2) 0.6293(2) 0.36055(17) 0.0423(7) Uani 1 1 d . . . . .
C7 C 0.8490(2) 0.5015(2) 0.47410(17) 0.0436(7) Uani 1 1 d . . . . .
H7 H 0.858442 0.450883 0.437210 0.052 Uiso 1 1 calc R U . . .
C8 C 0.8114(2) 0.4625(2) 0.55371(18) 0.0432(7) Uani 1 1 d . . . . .
C9 C 0.7872(3) 0.3521(2) 0.5721(2) 0.0633(9) Uani 1 1 d . . . . .
H9 H 0.796145 0.306988 0.531227 0.076 Uiso 1 1 calc R U . . .
C10 C 0.7514(3) 0.3129(3) 0.6481(2) 0.0768(11) Uani 1 1 d . . . . .
H10 H 0.735696 0.240619 0.659636 0.092 Uiso 1 1 calc R U . . .
C11 C 0.7376(3) 0.3798(3) 0.7106(2) 0.0635(9) Uani 1 1 d . . . . .
H11 H 0.714089 0.351161 0.763331 0.076 Uiso 1 1 calc R U . . .
C12 C 0.7582(3) 0.4861(2) 0.69473(19) 0.0516(8) Uani 1 1 d . . . . .
C13 C 0.7976(2) 0.5294(2) 0.61566(18) 0.0448(7) Uani 1 1 d . . . . .
C14 C 0.6958(3) 0.5241(3) 0.8286(2) 0.0819(11) Uani 1 1 d . . . . .
H14A H 0.616919 0.504049 0.821458 0.123 Uiso 1 1 calc R U . . .
H14B H 0.690276 0.582719 0.861241 0.123 Uiso 1 1 calc R U . . .
H14C H 0.746677 0.462175 0.856261 0.123 Uiso 1 1 calc R U . . .
C15 C 0.9769(2) 0.7833(2) 0.56412(18) 0.0433(7) Uani 1 1 d . . . . .
C16 C 1.0033(3) 0.7458(2) 0.64722(19) 0.0526(8) Uani 1 1 d . . . . .
H16 H 0.959781 0.693392 0.676055 0.063 Uiso 1 1 calc R U . . .
C17 C 1.0927(3) 0.7849(3) 0.6875(2) 0.0664(9) Uani 1 1 d . . . . .
H17 H 1.109701 0.757712 0.742611 0.080 Uiso 1 1 calc R U . . .
C18 C 1.1563(3) 0.8633(3) 0.6469(3) 0.0747(11) Uani 1 1 d . . . . .
H18 H 1.216106 0.889777 0.674269 0.090 Uiso 1 1 calc R U . . .
C19 C 1.1316(3) 0.9021(3) 0.5663(3) 0.0730(10) Uani 1 1 d . . . . .
H19 H 1.174505 0.955961 0.538903 0.088 Uiso 1 1 calc R U . . .
C20 C 1.0434(3) 0.8628(2) 0.52391(19) 0.0563(8) Uani 1 1 d . . . . .
H20 H 1.028645 0.889843 0.468460 0.068 Uiso 1 1 calc R U . . .
C21 C 0.6845(3) 0.7981(2) 0.4951(2) 0.0576(8) Uani 1 1 d . . . . .
C22 C 0.5974(4) 0.7669(3) 0.5525(3) 0.0840(12) Uani 1 1 d . . . . .
H22 H 0.620059 0.717898 0.599776 0.101 Uiso 1 1 calc R U . . .
C23 C 0.4775(5) 0.8080(5) 0.5400(4) 0.131(2) Uani 1 1 d . . . . .
H23 H 0.419621 0.785224 0.577904 0.157 Uiso 1 1 calc R U . . .
C24 C 0.4444(6) 0.8822(6) 0.4718(5) 0.149(3) Uani 1 1 d . . . . .
H24 H 0.363604 0.909175 0.463466 0.179 Uiso 1 1 calc R U . . .
C25 C 0.5274(5) 0.9174(4) 0.4158(3) 0.127(2) Uani 1 1 d . . . . .
H25 H 0.503665 0.969636 0.370578 0.153 Uiso 1 1 calc R U . . .
C26 C 0.6484(4) 0.8748(3) 0.4266(2) 0.0832(12) Uani 1 1 d . . . . .
H26 H 0.705099 0.897686 0.387821 0.100 Uiso 1 1 calc R U . . .
Ge2 Ge 0.55660(3) 0.75864(2) 0.12683(2) 0.04582(10) Uani 1 1 d . . . . .
O6 O 0.68651(18) 0.68004(14) 0.06883(12) 0.0569(5) Uani 1 1 d . . . . .
O7 O 0.44816(17) 0.86207(14) 0.17857(12) 0.0593(6) Uani 1 1 d . . . . .
O8 O 0.2643(2) 0.95560(17) 0.25459(14) 0.0703(6) Uani 1 1 d . . . . .
O9 O 1.0646(2) 0.9171(2) -0.14707(15) 0.0875(8) Uani 1 1 d . . . . .
O10 O 0.9609(2) 1.0532(2) -0.10084(15) 0.0836(7) Uani 1 1 d . . . . .
N3 N 0.6520(2) 0.88138(17) 0.08939(13) 0.0452(6) Uani 1 1 d . . . . .
N4 N 0.9795(3) 0.9560(3) -0.10757(16) 0.0645(7) Uani 1 1 d . . . . .
C27 C 0.7557(3) 0.7418(2) 0.02343(17) 0.0463(7) Uani 1 1 d . . . . .
C28 C 0.8420(3) 0.7036(2) -0.03192(18) 0.0523(8) Uani 1 1 d . . . . .
H28 H 0.850062 0.630417 -0.039468 0.063 Uiso 1 1 calc R U . . .
C29 C 0.9146(3) 0.7725(3) -0.07495(18) 0.0559(8) Uani 1 1 d . . . . .
H29 H 0.972904 0.746373 -0.110763 0.067 Uiso 1 1 calc R U . . .
C30 C 0.9002(3) 0.8821(2) -0.06454(17) 0.0490(7) Uani 1 1 d . . . . .
C31 C 0.8145(3) 0.9240(2) -0.01237(17) 0.0490(7) Uani 1 1 d . . . . .
H31 H 0.804685 0.998037 -0.007385 0.059 Uiso 1 1 calc R U . . .
C32 C 0.7442(2) 0.8538(2) 0.03192(17) 0.0446(7) Uani 1 1 d . . . . .
C33 C 0.6412(3) 0.9775(2) 0.11467(18) 0.0596(9) Uani 1 1 d . . . . .
H33 H 0.701119 1.021605 0.098315 0.072 Uiso 1 1 calc R U . . .
C34 C 0.5482(3) 1.0206(2) 0.16394(18) 0.0586(9) Uani 1 1 d . . . . .
C35 C 0.5523(4) 1.1294(2) 0.1816(2) 0.0902(13) Uani 1 1 d . . . . .
H35 H 0.618127 1.166545 0.166000 0.108 Uiso 1 1 calc R U . . .
C36 C 0.4568(5) 1.1770(3) 0.2220(2) 0.1022(15) Uani 1 1 d . . . . .
H36 H 0.457652 1.247855 0.233583 0.123 Uiso 1 1 calc R U . . .
C37 C 0.3586(4) 1.1221(3) 0.2461(2) 0.0766(11) Uani 1 1 d . . . . .
H37 H 0.294243 1.157410 0.272533 0.092 Uiso 1 1 calc R U . . .
C38 C 0.3545(3) 1.0174(2) 0.23176(18) 0.0545(8) Uani 1 1 d . . . . .
C39 C 0.4528(3) 0.9636(2) 0.18998(17) 0.0481(7) Uani 1 1 d . . . . .
C40 C 0.1665(3) 1.0018(3) 0.3003(2) 0.0877(12) Uani 1 1 d . . . . .
H40A H 0.129717 1.068563 0.268908 0.132 Uiso 1 1 calc R U . . .
H40B H 0.195868 1.016961 0.351727 0.132 Uiso 1 1 calc R U . . .
H40C H 0.108114 0.951150 0.311005 0.132 Uiso 1 1 calc R U . . .
C41 C 0.4312(3) 0.7303(2) 0.05438(16) 0.0447(7) Uani 1 1 d . . . . .
C42 C 0.3118(3) 0.7747(2) 0.06162(18) 0.0552(8) Uani 1 1 d . . . . .
H42 H 0.292451 0.824976 0.098103 0.066 Uiso 1 1 calc R U . . .
C43 C 0.2217(3) 0.7459(3) 0.0159(2) 0.0656(9) Uani 1 1 d . . . . .
H43 H 0.142589 0.777092 0.021350 0.079 Uiso 1 1 calc R U . . .
C44 C 0.2485(4) 0.6711(3) -0.0380(2) 0.0790(11) Uani 1 1 d . . . . .
H44 H 0.187906 0.650896 -0.068635 0.095 Uiso 1 1 calc R U . . .
C45 C 0.3651(4) 0.6270(3) -0.0457(2) 0.0861(12) Uani 1 1 d . . . . .
H45 H 0.383718 0.576560 -0.082129 0.103 Uiso 1 1 calc R U . . .
C46 C 0.4562(3) 0.6560(2) -0.0006(2) 0.0670(9) Uani 1 1 d . . . . .
H46 H 0.535193 0.625181 -0.007203 0.080 Uiso 1 1 calc R U . . .
C47 C 0.5873(2) 0.6573(2) 0.22875(18) 0.0456(7) Uani 1 1 d . . . . .
C48 C 0.5507(3) 0.6826(3) 0.3048(2) 0.0658(9) Uani 1 1 d . . . . .
H48 H 0.520617 0.754278 0.310102 0.079 Uiso 1 1 calc R U . . .
C49 C 0.5578(3) 0.6034(3) 0.3738(2) 0.0814(11) Uani 1 1 d . . . . .
H49 H 0.534082 0.622824 0.424999 0.098 Uiso 1 1 calc R U . . .
C50 C 0.5992(3) 0.4973(3) 0.3678(2) 0.0758(10) Uani 1 1 d . . . . .
H50 H 0.600815 0.443921 0.414042 0.091 Uiso 1 1 calc R U . . .
C51 C 0.6382(3) 0.4700(3) 0.2929(2) 0.0741(10) Uani 1 1 d . . . . .
H51 H 0.667594 0.397950 0.288064 0.089 Uiso 1 1 calc R U . . .
C52 C 0.6338(3) 0.5496(2) 0.2245(2) 0.0626(9) Uani 1 1 d . . . . .
H52 H 0.662847 0.530715 0.174286 0.075 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 1.9394(19) . ?
Ge1 O2 1.9098(19) . ?
Ge1 N1 2.009(2) . ?
Ge1 C15 1.957(3) . ?
Ge1 C21 1.934(3) . ?
O1 C1 1.316(3) . ?
O2 C13 1.310(3) . ?
O3 C12 1.364(3) . ?
O3 C14 1.422(3) . ?
O4 N2 1.223(3) . ?
O5 N2 1.229(3) . ?
N1 C6 1.418(3) . ?
N1 C7 1.310(3) . ?
N2 C4 1.458(4) . ?
C1 C2 1.390(4) . ?
C1 C6 1.405(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.365(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.383(4) . ?
C4 C5 1.369(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.381(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.398(4) . ?
C8 C9 1.421(3) . ?
C8 C13 1.398(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.342(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.405(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.357(4) . ?
C12 C13 1.412(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.395(4) . ?
C15 C20 1.394(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.381(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.366(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.356(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.391(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.392(4) . ?
C21 C26 1.392(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.383(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.365(8) . ?
C24 H24 0.9300 . ?
C24 C25 1.358(8) . ?
C25 H25 0.9300 . ?
C25 C26 1.396(6) . ?
C26 H26 0.9300 . ?
Ge2 O6 1.9603(18) . ?
Ge2 O7 1.9348(17) . ?
Ge2 N3 1.989(2) . ?
Ge2 C41 1.949(3) . ?
Ge2 C47 1.946(3) . ?
O6 C27 1.305(3) . ?
O7 C39 1.312(3) . ?
O8 C38 1.358(3) . ?
O8 C40 1.424(3) . ?
O9 N4 1.230(3) . ?
O10 N4 1.223(3) . ?
N3 C32 1.428(3) . ?
N3 C33 1.313(3) . ?
N4 C30 1.456(4) . ?
C27 C28 1.401(4) . ?
C27 C32 1.411(3) . ?
C28 H28 0.9300 . ?
C28 C29 1.367(4) . ?
C29 H29 0.9300 . ?
C29 C30 1.389(4) . ?
C30 C31 1.378(4) . ?
C31 H31 0.9300 . ?
C31 C32 1.369(4) . ?
C33 H33 0.9300 . ?
C33 C34 1.407(4) . ?
C34 C35 1.432(4) . ?
C34 C39 1.381(4) . ?
C35 H35 0.9300 . ?
C35 C36 1.365(5) . ?
C36 H36 0.9300 . ?
C36 C37 1.386(5) . ?
C37 H37 0.9300 . ?
C37 C38 1.365(4) . ?
C38 C39 1.432(4) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 C42 1.391(4) . ?
C41 C46 1.383(4) . ?
C42 H42 0.9300 . ?
C42 C43 1.378(4) . ?
C43 H43 0.9300 . ?
C43 C44 1.376(4) . ?
C44 H44 0.9300 . ?
C44 C45 1.363(5) . ?
C45 H45 0.9300 . ?
C45 C46 1.381(4) . ?
C46 H46 0.9300 . ?
C47 C48 1.371(4) . ?
C47 C52 1.388(4) . ?
C48 H48 0.9300 . ?
C48 C49 1.383(4) . ?
C49 H49 0.9300 . ?
C49 C50 1.362(4) . ?
C50 H50 0.9300 . ?
C50 C51 1.369(4) . ?
C51 H51 0.9300 . ?
C51 C52 1.379(4) . ?
C52 H52 0.9300 . ?

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 N1 80.99(8) . . ?
O1 Ge1 C15 92.34(10) . . ?
O2 Ge1 O1 166.75(8) . . ?
O2 Ge1 N1 87.13(8) . . ?
O2 Ge1 C15 89.70(11) . . ?
O2 Ge1 C21 94.89(13) . . ?
C15 Ge1 N1 125.02(9) . . ?
C21 Ge1 O1 94.64(13) . . ?
C21 Ge1 N1 109.87(10) . . ?
C21 Ge1 C15 125.08(10) . . ?
C1 O1 Ge1 116.18(16) . . ?
C13 O2 Ge1 134.10(18) . . ?
C12 O3 C14 117.5(2) . . ?
C6 N1 Ge1 112.31(15) . . ?
C7 N1 Ge1 125.64(19) . . ?
C7 N1 C6 121.5(2) . . ?
O4 N2 O5 123.0(3) . . ?
O4 N2 C4 118.9(3) . . ?
O5 N2 C4 118.1(3) . . ?
O1 C1 C2 123.6(2) . . ?
O1 C1 C6 117.4(3) . . ?
C2 C1 C6 119.0(3) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 C1 120.8(3) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 120.5 . . ?
C2 C3 C4 119.0(3) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 N2 119.3(3) . . ?
C5 C4 N2 118.5(3) . . ?
C5 C4 C3 122.2(3) . . ?
C4 C5 H5 120.6 . . ?
C4 C5 C6 118.8(3) . . ?
C6 C5 H5 120.6 . . ?
C1 C6 N1 112.8(2) . . ?
C5 C6 N1 127.0(2) . . ?
C5 C6 C1 120.2(3) . . ?
N1 C7 H7 115.9 . . ?
N1 C7 C8 128.3(2) . . ?
C8 C7 H7 115.9 . . ?
C7 C8 C9 119.2(3) . . ?
C13 C8 C7 121.5(2) . . ?
C13 C8 C9 119.3(3) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 C8 120.2(3) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 119.6 . . ?
C9 C10 C11 120.7(3) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.5(3) . . ?
C12 C11 H11 119.7 . . ?
O3 C12 C13 114.3(2) . . ?
C11 C12 O3 125.5(3) . . ?
C11 C12 C13 120.1(3) . . ?
O2 C13 C8 121.7(3) . . ?
O2 C13 C12 119.2(3) . . ?
C8 C13 C12 119.1(2) . . ?
O3 C14 H14A 109.5 . . ?
O3 C14 H14B 109.5 . . ?
O3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 Ge1 122.2(2) . . ?
C20 C15 Ge1 120.6(2) . . ?
C20 C15 C16 117.2(3) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 C15 121.2(3) . . ?
C17 C16 H16 119.4 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.5(3) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 120.2 . . ?
C19 C18 C17 119.5(3) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 H19 119.4 . . ?
C18 C19 C20 121.2(3) . . ?
C20 C19 H19 119.4 . . ?
C15 C20 H20 119.8 . . ?
C19 C20 C15 120.3(3) . . ?
C19 C20 H20 119.8 . . ?
C22 C21 Ge1 121.3(3) . . ?
C22 C21 C26 118.3(4) . . ?
C26 C21 Ge1 120.4(3) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.7(5) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.8(6) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 119.4 . . ?
C25 C24 C23 121.2(7) . . ?
C25 C24 H24 119.4 . . ?
C24 C25 H25 120.2 . . ?
C24 C25 C26 119.7(6) . . ?
C26 C25 H25 120.2 . . ?
C21 C26 C25 120.3(4) . . ?
C21 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
O6 Ge2 N3 80.77(8) . . ?
O7 Ge2 O6 167.80(8) . . ?
O7 Ge2 N3 87.06(8) . . ?
O7 Ge2 C41 92.83(10) . . ?
O7 Ge2 C47 93.96(10) . . ?
C41 Ge2 O6 93.80(10) . . ?
C41 Ge2 N3 118.71(10) . . ?
C47 Ge2 O6 92.14(10) . . ?
C47 Ge2 N3 124.14(10) . . ?
C47 Ge2 C41 117.01(10) . . ?
C27 O6 Ge2 115.19(16) . . ?
C39 O7 Ge2 132.94(19) . . ?
C38 O8 C40 117.7(2) . . ?
C32 N3 Ge2 112.66(16) . . ?
C33 N3 Ge2 127.1(2) . . ?
C33 N3 C32 120.2(2) . . ?
O9 N4 C30 118.3(3) . . ?
O10 N4 O9 123.0(3) . . ?
O10 N4 C30 118.7(3) . . ?
O6 C27 C28 124.1(3) . . ?
O6 C27 C32 117.8(3) . . ?
C28 C27 C32 118.1(3) . . ?
C27 C28 H28 119.6 . . ?
C29 C28 C27 120.7(3) . . ?
C29 C28 H28 119.6 . . ?
C28 C29 H29 120.4 . . ?
C28 C29 C30 119.2(3) . . ?
C30 C29 H29 120.4 . . ?
C29 C30 N4 120.0(3) . . ?
C31 C30 N4 117.9(3) . . ?
C31 C30 C29 122.1(3) . . ?
C30 C31 H31 120.9 . . ?
C32 C31 C30 118.2(3) . . ?
C32 C31 H31 120.9 . . ?
C27 C32 N3 111.9(2) . . ?
C31 C32 N3 126.4(2) . . ?
C31 C32 C27 121.6(3) . . ?
N3 C33 H33 116.7 . . ?
N3 C33 C34 126.7(3) . . ?
C34 C33 H33 116.7 . . ?
C33 C34 C35 117.1(3) . . ?
C39 C34 C33 121.7(2) . . ?
C39 C34 C35 121.0(3) . . ?
C34 C35 H35 120.9 . . ?
C36 C35 C34 118.1(3) . . ?
C36 C35 H35 120.9 . . ?
C35 C36 H36 119.3 . . ?
C35 C36 C37 121.5(3) . . ?
C37 C36 H36 119.3 . . ?
C36 C37 H37 119.4 . . ?
C38 C37 C36 121.3(3) . . ?
C38 C37 H37 119.4 . . ?
O8 C38 C37 125.9(3) . . ?
O8 C38 C39 114.7(2) . . ?
C37 C38 C39 119.4(3) . . ?
O7 C39 C34 123.0(3) . . ?
O7 C39 C38 118.3(3) . . ?
C34 C39 C38 118.7(3) . . ?
O8 C40 H40A 109.5 . . ?
O8 C40 H40B 109.5 . . ?
O8 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 Ge2 121.7(2) . . ?
C46 C41 Ge2 120.5(2) . . ?
C46 C41 C42 117.5(3) . . ?
C41 C42 H42 119.3 . . ?
C43 C42 C41 121.4(3) . . ?
C43 C42 H42 119.3 . . ?
C42 C43 H43 119.9 . . ?
C44 C43 C42 120.1(3) . . ?
C44 C43 H43 119.9 . . ?
C43 C44 H44 120.5 . . ?
C45 C44 C43 119.1(3) . . ?
C45 C44 H44 120.5 . . ?
C44 C45 H45 119.4 . . ?
C44 C45 C46 121.2(3) . . ?
C46 C45 H45 119.4 . . ?
C41 C46 H46 119.7 . . ?
C45 C46 C41 120.7(3) . . ?
C45 C46 H46 119.7 . . ?
C48 C47 Ge2 123.1(2) . . ?
C48 C47 C52 117.1(3) . . ?
C52 C47 Ge2 119.2(2) . . ?
C47 C48 H48 119.4 . . ?
C47 C48 C49 121.2(3) . . ?
C49 C48 H48 119.4 . . ?
C48 C49 H49 119.6 . . ?
C50 C49 C48 120.8(3) . . ?
C50 C49 H49 119.6 . . ?
C49 C50 H50 120.4 . . ?
C49 C50 C51 119.3(3) . . ?
C51 C50 H50 120.4 . . ?
C50 C51 H51 120.1 . . ?
C50 C51 C52 119.7(3) . . ?
C52 C51 H51 120.1 . . ?
C47 C52 H52 119.1 . . ?
C51 C52 C47 121.8(3) . . ?
C51 C52 H52 119.1 . . ?

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
Ge1 O1 C1 C2 174.4(2) . . . . ?
Ge1 O1 C1 C6 -6.2(3) . . . . ?
Ge1 O2 C13 C8 13.5(4) . . . . ?
Ge1 O2 C13 C12 -167.4(2) . . . . ?
Ge1 N1 C6 C1 2.0(3) . . . . ?
Ge1 N1 C6 C5 -177.4(2) . . . . ?
Ge1 N1 C7 C8 -4.6(4) . . . . ?
Ge1 C15 C16 C17 -179.4(2) . . . . ?
Ge1 C15 C20 C19 178.4(2) . . . . ?
Ge1 C21 C22 C23 -173.6(3) . . . . ?
Ge1 C21 C26 C25 175.1(3) . . . . ?
O1 C1 C2 C3 177.1(3) . . . . ?
O1 C1 C6 N1 2.6(4) . . . . ?
O1 C1 C6 C5 -178.0(3) . . . . ?
O3 C12 C13 O2 2.1(4) . . . . ?
O3 C12 C13 C8 -178.8(2) . . . . ?
O4 N2 C4 C3 12.7(4) . . . . ?
O4 N2 C4 C5 -167.0(3) . . . . ?
O5 N2 C4 C3 -168.5(3) . . . . ?
O5 N2 C4 C5 11.7(4) . . . . ?
N1 C7 C8 C9 178.2(3) . . . . ?
N1 C7 C8 C13 -2.1(4) . . . . ?
N2 C4 C5 C6 177.9(2) . . . . ?
C1 C2 C3 C4 1.0(5) . . . . ?
C2 C1 C6 N1 -178.0(2) . . . . ?
C2 C1 C6 C5 1.4(4) . . . . ?
C2 C3 C4 N2 -178.7(3) . . . . ?
C2 C3 C4 C5 1.0(5) . . . . ?
C3 C4 C5 C6 -1.8(4) . . . . ?
C4 C5 C6 N1 179.9(3) . . . . ?
C4 C5 C6 C1 0.6(4) . . . . ?
C6 N1 C7 C8 -175.8(3) . . . . ?
C6 C1 C2 C3 -2.3(4) . . . . ?
C7 N1 C6 C1 174.2(2) . . . . ?
C7 N1 C6 C5 -5.2(4) . . . . ?
C7 C8 C9 C10 179.7(3) . . . . ?
C7 C8 C13 O2 -1.5(4) . . . . ?
C7 C8 C13 C12 179.4(3) . . . . ?
C8 C9 C10 C11 -0.1(5) . . . . ?
C9 C8 C13 O2 178.2(3) . . . . ?
C9 C8 C13 C12 -1.0(4) . . . . ?
C9 C10 C11 C12 1.1(5) . . . . ?
C10 C11 C12 O3 178.8(3) . . . . ?
C10 C11 C12 C13 -2.0(5) . . . . ?
C11 C12 C13 O2 -177.2(3) . . . . ?
C11 C12 C13 C8 2.0(4) . . . . ?
C13 C8 C9 C10 0.1(5) . . . . ?
C14 O3 C12 C11 -6.3(5) . . . . ?
C14 O3 C12 C13 174.4(3) . . . . ?
C15 C16 C17 C18 1.2(4) . . . . ?
C16 C15 C20 C19 -0.1(4) . . . . ?
C16 C17 C18 C19 -0.4(5) . . . . ?
C17 C18 C19 C20 -0.6(5) . . . . ?
C18 C19 C20 C15 0.9(5) . . . . ?
C20 C15 C16 C17 -0.9(4) . . . . ?
C21 C22 C23 C24 -1.7(7) . . . . ?
C22 C21 C26 C25 -0.9(5) . . . . ?
C22 C23 C24 C25 -0.5(9) . . . . ?
C23 C24 C25 C26 2.0(8) . . . . ?
C24 C25 C26 C21 -1.2(6) . . . . ?
C26 C21 C22 C23 2.4(5) . . . . ?
Ge2 O6 C27 C28 -170.4(2) . . . . ?
Ge2 O6 C27 C32 10.9(3) . . . . ?
Ge2 O7 C39 C34 -0.3(4) . . . . ?
Ge2 O7 C39 C38 -180.0(2) . . . . ?
Ge2 N3 C32 C27 -7.6(3) . . . . ?
Ge2 N3 C32 C31 171.4(2) . . . . ?
Ge2 N3 C33 C34 -10.5(5) . . . . ?
Ge2 C41 C42 C43 -173.5(2) . . . . ?
Ge2 C41 C46 C45 173.1(3) . . . . ?
Ge2 C47 C48 C49 170.0(3) . . . . ?
Ge2 C47 C52 C51 -168.7(3) . . . . ?
O6 C27 C28 C29 -177.3(3) . . . . ?
O6 C27 C32 N3 -2.0(4) . . . . ?
O6 C27 C32 C31 179.0(2) . . . . ?
O8 C38 C39 O7 -0.8(4) . . . . ?
O8 C38 C39 C34 179.5(3) . . . . ?
O9 N4 C30 C29 -6.0(4) . . . . ?
O9 N4 C30 C31 172.2(3) . . . . ?
O10 N4 C30 C29 176.1(3) . . . . ?
O10 N4 C30 C31 -5.7(4) . . . . ?
N3 C33 C34 C35 -177.7(3) . . . . ?
N3 C33 C34 C39 -1.8(5) . . . . ?
N4 C30 C31 C32 -176.3(2) . . . . ?
C27 C28 C29 C30 -1.3(4) . . . . ?
C28 C27 C32 N3 179.2(2) . . . . ?
C28 C27 C32 C31 0.2(4) . . . . ?
C28 C29 C30 N4 177.8(3) . . . . ?
C28 C29 C30 C31 -0.3(4) . . . . ?
C29 C30 C31 C32 1.8(4) . . . . ?
C30 C31 C32 N3 179.3(3) . . . . ?
C30 C31 C32 C27 -1.8(4) . . . . ?
C32 N3 C33 C34 172.9(3) . . . . ?
C32 C27 C28 C29 1.4(4) . . . . ?
C33 N3 C32 C27 169.4(3) . . . . ?
C33 N3 C32 C31 -11.6(4) . . . . ?
C33 C34 C35 C36 173.4(4) . . . . ?
C33 C34 C39 O7 7.5(5) . . . . ?
C33 C34 C39 C38 -172.8(3) . . . . ?
C34 C35 C36 C37 0.5(6) . . . . ?
C35 C34 C39 O7 -176.7(3) . . . . ?
C35 C34 C39 C38 3.0(5) . . . . ?
C35 C36 C37 C38 1.3(6) . . . . ?
C36 C37 C38 O8 178.3(3) . . . . ?
C36 C37 C38 C39 -0.9(5) . . . . ?
C37 C38 C39 O7 178.5(3) . . . . ?
C37 C38 C39 C34 -1.2(4) . . . . ?
C39 C34 C35 C36 -2.7(6) . . . . ?
C40 O8 C38 C37 -2.4(5) . . . . ?
C40 O8 C38 C39 176.8(3) . . . . ?
C41 C42 C43 C44 0.5(5) . . . . ?
C42 C41 C46 C45 -0.5(5) . . . . ?
C42 C43 C44 C45 -0.6(5) . . . . ?
C43 C44 C45 C46 0.1(6) . . . . ?
C44 C45 C46 C41 0.4(6) . . . . ?
C46 C41 C42 C43 0.1(4) . . . . ?
C47 C48 C49 C50 -1.4(5) . . . . ?
C48 C47 C52 C51 2.9(5) . . . . ?
C48 C49 C50 C51 2.4(5) . . . . ?
C49 C50 C51 C52 -0.8(5) . . . . ?
C50 C51 C52 C47 -1.9(5) . . . . ?
C52 C47 C48 C49 -1.3(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
