# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_240402_oge220k_0ma
_database_code_depnum_ccdc_archive 'CCDC 2348900'
loop_
_audit_author_name
_audit_author_address
'Takuya Kanetomo'
;Tokyo University of Science
Japan
;
_audit_update_record             
;
2024-04-17 deposited with the CCDC.	2024-09-24 downloaded from the CCDC.
;
_audit_creation_date             2024-04-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        
2,2',7,7'-tetra(tert-butyl)-9,9'(10H,10'H)-spirobigermaacridine-10,10'-dioxyl
_chemical_formula_moiety         'C40 H48 Ge N2 O2'
_chemical_formula_sum            'C40 H48 Ge N2 O2'
_chemical_formula_weight         661.39
_chemical_melting_point          490
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.6135(4)
_cell_length_b                   25.2804(8)
_cell_length_c                   11.3788(3)
_cell_angle_alpha                90
_cell_angle_beta                 105.3610(10)
_cell_angle_gamma                90
_cell_volume                     3498.79(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6472
_cell_measurement_temperature    220.15
_cell_measurement_theta_max      25.614
_cell_measurement_theta_min      2.324
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.912
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6683
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0836 before and 0.0653 after correction.
The Ratio of minimum to maximum transmission is 0.8966.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.377
_exptl_crystal_size_mid          0.194
_exptl_crystal_size_min          0.152
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0708
_diffrn_reflns_av_unetI/netI     0.0484
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            41806
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.652
_diffrn_reflns_theta_min         2.023
_diffrn_ambient_temperature      220.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5755
_reflns_number_total             7317
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.358
_refine_diff_density_min         -0.297
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     418
_refine_ls_number_reflns         7317
_refine_ls_number_restraints     690
_refine_ls_R_factor_all          0.0585
_refine_ls_R_factor_gt           0.0415
_refine_ls_restrained_S_all      0.991
_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)+(0.0406P)²+1.4833P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0925
_refine_ls_wR_factor_ref         0.1010
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C31 \\sim Ge1 \\sim C26 \\sim C27 \\sim C6 \\sim C7 \\sim C21 \\sim C25 \\sim
C32 \\sim C28 \\sim C5 \\sim C1 \\sim C12 \\sim C8 \\sim N2 \\sim C22 \\sim C24
\\sim C29 \\sim C4 \\sim N1 \\sim C2 \\sim C11 \\sim C9 \\sim O2 \\sim C23
\\sim C33 \\sim C30 \\sim C37 \\sim C3 \\sim C13 \\sim O1 \\sim C10 \\sim C17
\\sim C35 \\sim C34 \\sim C36 \\sim C40 \\sim C39 \\sim C38 \\sim C14 \\sim C15
\\sim C16 \\sim C19 \\sim C18 \\sim C20: within 2A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 2A
3. Rigid body (RIGU) restrains
 C31, Ge1, C26, C27, C6, C7, C21, C25, C32, C28, C5, C1, C12, C8, N2, C22, C24,
  C29, C4, N1, C2, C11, C9, O2, C23, C33, C30, C37, C3, C13, O1, C10, C17, C35,
 C34, C36, C40, C39, C38, C14, C15, C16, C19, C18, C20
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C5(H5), C25(H25), C10(H10), C3(H3), C22(H22), C2(H2), C28(H28),
 C11(H11), C31(H31), C23(H23), C30(H30)
4.b Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C14(H14A,H14B,H14C), C35(H35A,H35B,H35C), C15(H15A,H15B,
 H15C), C19(H19A,H19B,H19C), C18(H18A,H18B,H18C), C34(H34A,H34B,H34C), C16(H16A,
 H16B,H16C), C40(H40A,H40B,H40C), C20(H20A,H20B,H20C), C39(H39A,H39B,H39C),
 C38(H38A,H38B,H38C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.77714(2) 0.60193(2) 0.40980(2) 0.03308(9) Uani 1 1 d . U . . .
O1 O 0.65271(18) 0.75603(7) 0.48169(17) 0.0540(5) Uani 1 1 d . U . . .
N1 N 0.66846(18) 0.70664(8) 0.46601(18) 0.0388(5) Uani 1 1 d . U . . .
O2 O 1.0321(2) 0.49438(9) 0.3273(3) 0.0978(10) Uani 1 1 d . U . . .
N2 N 0.95641(18) 0.52499(9) 0.3444(2) 0.0495(6) Uani 1 1 d . U . . .
C26 C 0.77828(19) 0.52576(9) 0.4002(2) 0.0350(5) Uani 1 1 d . U . . .
C21 C 0.8649(2) 0.49916(10) 0.3699(2) 0.0390(5) Uani 1 1 d . U . . .
C4 C 0.4877(2) 0.64087(10) 0.1315(2) 0.0397(6) Uani 1 1 d . U . . .
C27 C 0.90716(19) 0.62019(10) 0.3574(2) 0.0354(5) Uani 1 1 d . U . . .
C8 C 0.8070(2) 0.59961(10) 0.6762(2) 0.0372(5) Uani 1 1 d . U . . .
H8 H 0.844007 0.567477 0.674333 0.045 Uiso 1 1 calc R U . . .
C6 C 0.64620(19) 0.63610(9) 0.3104(2) 0.0339(5) Uani 1 1 d . U . . .
C9 C 0.7920(2) 0.61692(10) 0.7870(2) 0.0389(5) Uani 1 1 d . U . . .
C5 C 0.5815(2) 0.61560(9) 0.2007(2) 0.0369(5) Uani 1 1 d . U . . .
H5 H 0.602396 0.583324 0.172358 0.044 Uiso 1 1 calc R U . . .
C32 C 0.9745(2) 0.58011(10) 0.3320(2) 0.0394(5) Uani 1 1 d . U . . .
C7 C 0.76943(19) 0.62791(9) 0.5680(2) 0.0350(5) Uani 1 1 d . U . . .
C12 C 0.71414(19) 0.67547(9) 0.5723(2) 0.0344(5) Uani 1 1 d . U . . .
C25 C 0.6969(2) 0.49501(10) 0.4283(2) 0.0389(6) Uani 1 1 d . U . . .
H25 H 0.638258 0.512467 0.448490 0.047 Uiso 1 1 calc R U . . .
C10 C 0.7395(2) 0.66521(10) 0.7874(2) 0.0409(6) Uani 1 1 d . U . . .
H10 H 0.729761 0.678252 0.861147 0.049 Uiso 1 1 calc R U . . .
C3 C 0.4613(2) 0.68939(10) 0.1739(2) 0.0461(6) Uani 1 1 d . U . . .
H3 H 0.399842 0.707973 0.127567 0.055 Uiso 1 1 calc R U . . .
C1 C 0.6129(2) 0.68383(9) 0.3514(2) 0.0357(5) Uani 1 1 d . U . . .
C22 C 0.8666(2) 0.44417(10) 0.3675(2) 0.0469(6) Uani 1 1 d . U . . .
H22 H 0.924322 0.426549 0.345965 0.056 Uiso 1 1 calc R U . . .
C2 C 0.5221(2) 0.71105(10) 0.2813(2) 0.0421(6) Uani 1 1 d . U . . .
H2 H 0.502448 0.744045 0.307366 0.050 Uiso 1 1 calc R U . . .
C28 C 0.9344(2) 0.67209(10) 0.3371(2) 0.0415(6) Uani 1 1 d . U . . .
H28 H 0.889096 0.699311 0.352444 0.050 Uiso 1 1 calc R U . . .
C11 C 0.7013(2) 0.69456(10) 0.6824(2) 0.0405(6) Uani 1 1 d . U . . .
H11 H 0.666654 0.727283 0.685307 0.049 Uiso 1 1 calc R U . . .
C31 C 1.0666(2) 0.59324(12) 0.2922(3) 0.0497(7) Uani 1 1 d . U . . .
H31 H 1.112724 0.566295 0.277372 0.060 Uiso 1 1 calc R U . . .
C23 C 0.7845(2) 0.41536(11) 0.3965(2) 0.0458(6) Uani 1 1 d . U . . .
H23 H 0.787575 0.378225 0.394614 0.055 Uiso 1 1 calc R U . . .
C24 C 0.6970(2) 0.43966(10) 0.4285(2) 0.0399(6) Uani 1 1 d . U . . .
C36 C 0.4950(2) 0.42327(13) 0.3766(3) 0.0631(8) Uani 1 1 d . U . . .
H36A H 0.436793 0.404051 0.399164 0.095 Uiso 1 1 calc R U . . .
H36B H 0.495242 0.414065 0.293934 0.095 Uiso 1 1 calc R U . . .
H36C H 0.482747 0.460982 0.381561 0.095 Uiso 1 1 calc R U . . .
C29 C 1.0255(2) 0.68617(11) 0.2953(2) 0.0433(6) Uani 1 1 d . U . . .
C17 C 0.8317(2) 0.58294(11) 0.9021(2) 0.0457(6) Uani 1 1 d . U . . .
C13 C 0.4136(2) 0.61814(11) 0.0133(2) 0.0479(6) Uani 1 1 d . U . . .
C37 C 1.0486(3) 0.74278(12) 0.2654(3) 0.0580(7) Uani 1 1 d . U . . .
C33 C 0.6061(2) 0.40856(10) 0.4639(3) 0.0466(6) Uani 1 1 d . U . . .
C14 C 0.4485(3) 0.56319(12) -0.0160(3) 0.0686(9) Uani 1 1 d . U . . .
H14A H 0.447270 0.539289 0.050273 0.103 Uiso 1 1 calc R U . . .
H14B H 0.522272 0.564711 -0.026500 0.103 Uiso 1 1 calc R U . . .
H14C H 0.398088 0.550527 -0.090626 0.103 Uiso 1 1 calc R U . . .
C30 C 1.0903(2) 0.64460(12) 0.2747(2) 0.0497(7) Uani 1 1 d . U . . .
H30 H 1.152891 0.652272 0.247708 0.060 Uiso 1 1 calc R U . . .
C35 C 0.6073(3) 0.42276(12) 0.5959(3) 0.0590(8) Uani 1 1 d . U . . .
H35A H 0.548545 0.404028 0.618474 0.089 Uiso 1 1 calc R U . . .
H35B H 0.596829 0.460565 0.602036 0.089 Uiso 1 1 calc R U . . .
H35C H 0.677428 0.412616 0.650357 0.089 Uiso 1 1 calc R U . . .
C15 C 0.2946(3) 0.61443(14) 0.0234(3) 0.0700(9) Uani 1 1 d . U . . .
H15A H 0.248460 0.598809 -0.050356 0.105 Uiso 1 1 calc R U . . .
H15B H 0.267797 0.649583 0.034229 0.105 Uiso 1 1 calc R U . . .
H15C H 0.292487 0.592572 0.092848 0.105 Uiso 1 1 calc R U . . .
C19 C 0.7987(3) 0.60653(14) 1.0117(3) 0.0706(10) Uani 1 1 d . U . . .
H19A H 0.719438 0.610505 0.991600 0.106 Uiso 1 1 calc R U . . .
H19B H 0.833228 0.640848 1.031341 0.106 Uiso 1 1 calc R U . . .
H19C H 0.822605 0.583136 1.081225 0.106 Uiso 1 1 calc R U . . .
C18 C 0.7810(3) 0.52813(13) 0.8769(3) 0.0681(9) Uani 1 1 d . U . . .
H18A H 0.806124 0.506257 0.948986 0.102 Uiso 1 1 calc R U . . .
H18B H 0.803087 0.512181 0.809550 0.102 Uiso 1 1 calc R U . . .
H18C H 0.701527 0.531003 0.856179 0.102 Uiso 1 1 calc R U . . .
C34 C 0.6212(3) 0.34849(11) 0.4579(3) 0.0589(8) Uani 1 1 d . U . . .
H34A H 0.691785 0.338513 0.511528 0.088 Uiso 1 1 calc R U . . .
H34B H 0.618493 0.338311 0.374938 0.088 Uiso 1 1 calc R U . . .
H34C H 0.562894 0.330667 0.483343 0.088 Uiso 1 1 calc R U . . .
C16 C 0.4168(3) 0.65539(13) -0.0926(3) 0.0693(9) Uani 1 1 d . U . . .
H16A H 0.491551 0.657898 -0.099808 0.104 Uiso 1 1 calc R U . . .
H16B H 0.391251 0.690216 -0.077022 0.104 Uiso 1 1 calc R U . . .
H16C H 0.369516 0.641530 -0.167896 0.104 Uiso 1 1 calc R U . . .
C40 C 0.9617(3) 0.75835(17) 0.1492(4) 0.0947(13) Uani 1 1 d . U . . .
H40A H 0.889315 0.756193 0.163364 0.142 Uiso 1 1 calc R U . . .
H40B H 0.965577 0.734461 0.083766 0.142 Uiso 1 1 calc R U . . .
H40C H 0.975122 0.794265 0.126825 0.142 Uiso 1 1 calc R U . . .
C20 C 0.9570(3) 0.57747(14) 0.9358(3) 0.0682(9) Uani 1 1 d . U . . .
H20A H 0.990425 0.612146 0.953339 0.102 Uiso 1 1 calc R U . . .
H20B H 0.979180 0.561711 0.868316 0.102 Uiso 1 1 calc R U . . .
H20C H 0.980900 0.555105 1.007240 0.102 Uiso 1 1 calc R U . . .
C39 C 1.0392(5) 0.78029(16) 0.3652(4) 0.1163(18) Uani 1 1 d . U . . .
H39A H 1.052529 0.816171 0.342460 0.174 Uiso 1 1 calc R U . . .
H39B H 1.092971 0.770902 0.440327 0.174 Uiso 1 1 calc R U . . .
H39C H 0.965888 0.777936 0.376900 0.174 Uiso 1 1 calc R U . . .
C38 C 1.1616(3) 0.74920(16) 0.2413(4) 0.0934(13) Uani 1 1 d . U . . .
H38A H 1.168064 0.724877 0.177650 0.140 Uiso 1 1 calc R U . . .
H38B H 1.218451 0.741598 0.315318 0.140 Uiso 1 1 calc R U . . .
H38C H 1.169855 0.785213 0.215662 0.140 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 C26 1.929(2) . ?
Ge1 C27 1.943(2) . ?
Ge1 C6 1.940(2) . ?
Ge1 C7 1.943(2) . ?
O1 N1 1.284(2) . ?
N1 C12 1.430(3) . ?
N1 C1 1.428(3) . ?
O2 N2 1.283(3) . ?
N2 C21 1.422(3) . ?
N2 C32 1.425(3) . ?
C26 C21 1.401(3) . ?
C26 C25 1.392(3) . ?
C21 C22 1.391(3) . ?
C4 C5 1.391(3) . ?
C4 C3 1.391(4) . ?
C4 C13 1.531(4) . ?
C27 C32 1.400(3) . ?
C27 C28 1.391(3) . ?
C8 H8 0.9400 . ?
C8 C9 1.394(3) . ?
C8 C7 1.393(3) . ?
C6 C5 1.398(3) . ?
C6 C1 1.398(3) . ?
C9 C10 1.390(3) . ?
C9 C17 1.535(3) . ?
C5 H5 0.9400 . ?
C32 C31 1.394(4) . ?
C7 C12 1.397(3) . ?
C12 C11 1.392(3) . ?
C25 H25 0.9400 . ?
C25 C24 1.399(3) . ?
C10 H10 0.9400 . ?
C10 C11 1.380(3) . ?
C3 H3 0.9400 . ?
C3 C2 1.372(4) . ?
C1 C2 1.392(3) . ?
C22 H22 0.9400 . ?
C22 C23 1.375(4) . ?
C2 H2 0.9400 . ?
C28 H28 0.9400 . ?
C28 C29 1.401(4) . ?
C11 H11 0.9400 . ?
C31 H31 0.9400 . ?
C31 C30 1.359(4) . ?
C23 H23 0.9400 . ?
C23 C24 1.394(3) . ?
C24 C33 1.530(4) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 H36C 0.9700 . ?
C36 C33 1.533(4) . ?
C29 C37 1.517(4) . ?
C29 C30 1.389(4) . ?
C17 C19 1.535(4) . ?
C17 C18 1.521(4) . ?
C17 C20 1.531(4) . ?
C13 C14 1.520(4) . ?
C13 C15 1.539(4) . ?
C13 C16 1.539(4) . ?
C37 C40 1.528(5) . ?
C37 C39 1.508(5) . ?
C37 C38 1.529(5) . ?
C33 C35 1.540(4) . ?
C33 C34 1.534(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?
C30 H30 0.9400 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 H35C 0.9700 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 H19C 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 H18C 0.9700 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 H34C 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 H40C 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 H20C 0.9700 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 H39C 0.9700 . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C38 H38C 0.9700 . ?

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
C26 Ge1 C27 101.53(10) . . ?
C26 Ge1 C6 115.43(10) . . ?
C26 Ge1 C7 113.14(10) . . ?
C6 Ge1 C27 111.89(10) . . ?
C6 Ge1 C7 98.39(10) . . ?
C7 Ge1 C27 117.23(10) . . ?
O1 N1 C12 117.43(19) . . ?
O1 N1 C1 117.57(19) . . ?
C1 N1 C12 122.67(19) . . ?
O2 N2 C21 115.5(2) . . ?
O2 N2 C32 115.4(2) . . ?
C21 N2 C32 129.0(2) . . ?
C21 C26 Ge1 120.74(18) . . ?
C25 C26 Ge1 121.84(17) . . ?
C25 C26 C21 117.4(2) . . ?
C26 C21 N2 123.9(2) . . ?
C22 C21 N2 116.0(2) . . ?
C22 C21 C26 120.1(2) . . ?
C5 C4 C13 123.7(2) . . ?
C3 C4 C5 117.0(2) . . ?
C3 C4 C13 119.3(2) . . ?
C32 C27 Ge1 119.92(19) . . ?
C28 C27 Ge1 122.72(18) . . ?
C28 C27 C32 117.3(2) . . ?
C9 C8 H8 118.6 . . ?
C7 C8 H8 118.6 . . ?
C7 C8 C9 122.8(2) . . ?
C5 C6 Ge1 124.11(17) . . ?
C5 C6 C1 117.6(2) . . ?
C1 C6 Ge1 118.32(18) . . ?
C8 C9 C17 120.3(2) . . ?
C10 C9 C8 117.2(2) . . ?
C10 C9 C17 122.5(2) . . ?
C4 C5 C6 122.9(2) . . ?
C4 C5 H5 118.6 . . ?
C6 C5 H5 118.6 . . ?
C27 C32 N2 124.4(2) . . ?
C31 C32 N2 115.7(2) . . ?
C31 C32 C27 119.9(2) . . ?
C8 C7 Ge1 123.79(17) . . ?
C8 C7 C12 117.9(2) . . ?
C12 C7 Ge1 118.09(17) . . ?
C7 C12 N1 122.5(2) . . ?
C11 C12 N1 117.0(2) . . ?
C11 C12 C7 120.5(2) . . ?
C26 C25 H25 118.0 . . ?
C26 C25 C24 123.9(2) . . ?
C24 C25 H25 118.0 . . ?
C9 C10 H10 119.1 . . ?
C11 C10 C9 121.9(2) . . ?
C11 C10 H10 119.1 . . ?
C4 C3 H3 118.9 . . ?
C2 C3 C4 122.2(2) . . ?
C2 C3 H3 118.9 . . ?
C6 C1 N1 122.4(2) . . ?
C2 C1 N1 117.0(2) . . ?
C2 C1 C6 120.6(2) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.6(2) . . ?
C23 C22 H22 119.7 . . ?
C3 C2 C1 119.6(2) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C27 C28 H28 118.1 . . ?
C27 C28 C29 123.8(2) . . ?
C29 C28 H28 118.1 . . ?
C12 C11 H11 120.2 . . ?
C10 C11 C12 119.7(2) . . ?
C10 C11 H11 120.2 . . ?
C32 C31 H31 119.7 . . ?
C30 C31 C32 120.7(3) . . ?
C30 C31 H31 119.7 . . ?
C22 C23 H23 119.1 . . ?
C22 C23 C24 121.9(2) . . ?
C24 C23 H23 119.1 . . ?
C25 C24 C33 120.9(2) . . ?
C23 C24 C25 116.2(2) . . ?
C23 C24 C33 122.9(2) . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
C28 C29 C37 122.7(2) . . ?
C30 C29 C28 115.9(3) . . ?
C30 C29 C37 121.3(2) . . ?
C9 C17 C19 112.2(2) . . ?
C18 C17 C9 108.9(2) . . ?
C18 C17 C19 108.4(3) . . ?
C18 C17 C20 108.6(3) . . ?
C20 C17 C9 110.2(2) . . ?
C20 C17 C19 108.4(3) . . ?
C4 C13 C15 109.7(2) . . ?
C4 C13 C16 108.8(2) . . ?
C14 C13 C4 113.0(2) . . ?
C14 C13 C15 107.8(3) . . ?
C14 C13 C16 108.6(3) . . ?
C16 C13 C15 108.9(3) . . ?
C29 C37 C40 107.5(3) . . ?
C29 C37 C38 112.6(3) . . ?
C40 C37 C38 107.9(3) . . ?
C39 C37 C29 111.5(3) . . ?
C39 C37 C40 107.9(3) . . ?
C39 C37 C38 109.4(3) . . ?
C24 C33 C36 108.9(2) . . ?
C24 C33 C35 108.8(2) . . ?
C24 C33 C34 112.7(2) . . ?
C36 C33 C35 110.3(2) . . ?
C36 C33 C34 108.3(2) . . ?
C34 C33 C35 107.8(2) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C31 C30 C29 122.4(3) . . ?
C31 C30 H30 118.8 . . ?
C29 C30 H30 118.8 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ge1 C26 C21 N2 -0.1(3) . . . . ?
Ge1 C26 C21 C22 177.72(19) . . . . ?
Ge1 C26 C25 C24 -176.76(19) . . . . ?
Ge1 C27 C32 N2 -1.5(3) . . . . ?
Ge1 C27 C32 C31 178.81(19) . . . . ?
Ge1 C27 C28 C29 -177.67(19) . . . . ?
Ge1 C6 C5 C4 179.70(18) . . . . ?
Ge1 C6 C1 N1 -3.2(3) . . . . ?
Ge1 C6 C1 C2 177.44(18) . . . . ?
Ge1 C7 C12 N1 -3.2(3) . . . . ?
Ge1 C7 C12 C11 176.72(19) . . . . ?
O1 N1 C12 C7 -157.4(2) . . . . ?
O1 N1 C12 C11 22.7(3) . . . . ?
O1 N1 C1 C6 161.3(2) . . . . ?
O1 N1 C1 C2 -19.4(3) . . . . ?
N1 C12 C11 C10 177.3(2) . . . . ?
N1 C1 C2 C3 -175.9(2) . . . . ?
O2 N2 C21 C26 175.0(3) . . . . ?
O2 N2 C21 C22 -2.9(4) . . . . ?
O2 N2 C32 C27 -174.1(3) . . . . ?
O2 N2 C32 C31 5.6(4) . . . . ?
N2 C21 C22 C23 177.0(2) . . . . ?
N2 C32 C31 C30 178.6(3) . . . . ?
C26 C21 C22 C23 -1.0(4) . . . . ?
C26 C25 C24 C23 -0.8(4) . . . . ?
C26 C25 C24 C33 178.3(2) . . . . ?
C21 N2 C32 C27 7.7(4) . . . . ?
C21 N2 C32 C31 -172.6(3) . . . . ?
C21 C26 C25 C24 0.2(4) . . . . ?
C21 C22 C23 C24 0.3(4) . . . . ?
C4 C3 C2 C1 -0.4(4) . . . . ?
C27 C32 C31 C30 -1.7(4) . . . . ?
C27 C28 C29 C37 175.5(2) . . . . ?
C27 C28 C29 C30 -0.4(4) . . . . ?
C8 C9 C10 C11 1.4(4) . . . . ?
C8 C9 C17 C19 -175.0(3) . . . . ?
C8 C9 C17 C18 -55.0(3) . . . . ?
C8 C9 C17 C20 64.1(3) . . . . ?
C8 C7 C12 N1 -177.5(2) . . . . ?
C8 C7 C12 C11 2.4(4) . . . . ?
C6 C1 C2 C3 3.4(4) . . . . ?
C9 C8 C7 Ge1 -174.24(19) . . . . ?
C9 C8 C7 C12 -0.3(4) . . . . ?
C9 C10 C11 C12 0.6(4) . . . . ?
C5 C4 C3 C2 -2.3(4) . . . . ?
C5 C4 C13 C14 4.2(4) . . . . ?
C5 C4 C13 C15 124.5(3) . . . . ?
C5 C4 C13 C16 -116.5(3) . . . . ?
C5 C6 C1 N1 175.8(2) . . . . ?
C5 C6 C1 C2 -3.5(3) . . . . ?
C32 N2 C21 C26 -6.8(4) . . . . ?
C32 N2 C21 C22 175.3(3) . . . . ?
C32 C27 C28 C29 -1.1(4) . . . . ?
C32 C31 C30 C29 0.1(4) . . . . ?
C7 C8 C9 C10 -1.6(4) . . . . ?
C7 C8 C9 C17 177.8(2) . . . . ?
C7 C12 C11 C10 -2.6(4) . . . . ?
C12 N1 C1 C6 -36.5(3) . . . . ?
C12 N1 C1 C2 142.8(2) . . . . ?
C25 C26 C21 N2 -177.1(2) . . . . ?
C25 C26 C21 C22 0.7(4) . . . . ?
C25 C24 C33 C36 59.6(3) . . . . ?
C25 C24 C33 C35 -60.7(3) . . . . ?
C25 C24 C33 C34 179.9(2) . . . . ?
C10 C9 C17 C19 4.3(4) . . . . ?
C10 C9 C17 C18 124.3(3) . . . . ?
C10 C9 C17 C20 -116.6(3) . . . . ?
C3 C4 C5 C6 2.1(4) . . . . ?
C3 C4 C13 C14 -175.8(3) . . . . ?
C3 C4 C13 C15 -55.5(3) . . . . ?
C3 C4 C13 C16 63.6(3) . . . . ?
C1 N1 C12 C7 40.4(3) . . . . ?
C1 N1 C12 C11 -139.6(2) . . . . ?
C1 C6 C5 C4 0.7(4) . . . . ?
C22 C23 C24 C25 0.6(4) . . . . ?
C22 C23 C24 C33 -178.5(2) . . . . ?
C28 C27 C32 N2 -178.2(2) . . . . ?
C28 C27 C32 C31 2.2(4) . . . . ?
C28 C29 C37 C40 -70.5(3) . . . . ?
C28 C29 C37 C39 47.5(4) . . . . ?
C28 C29 C37 C38 170.8(3) . . . . ?
C28 C29 C30 C31 0.9(4) . . . . ?
C23 C24 C33 C36 -121.3(3) . . . . ?
C23 C24 C33 C35 118.4(3) . . . . ?
C23 C24 C33 C34 -1.1(4) . . . . ?
C17 C9 C10 C11 -177.9(2) . . . . ?
C13 C4 C5 C6 -177.8(2) . . . . ?
C13 C4 C3 C2 177.7(2) . . . . ?
C37 C29 C30 C31 -175.0(3) . . . . ?
C30 C29 C37 C40 105.1(3) . . . . ?
C30 C29 C37 C39 -136.8(3) . . . . ?
C30 C29 C37 C38 -13.5(4) . . . . ?

_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_240402_oge_280k_0ma
_database_code_depnum_ccdc_archive 'CCDC 2348902'
loop_
_audit_author_name
_audit_author_address
'Takuya Kanetomo'
;Tokyo University of Science
Japan
;
_audit_update_record             
;
2024-04-17 deposited with the CCDC.	2024-09-24 downloaded from the CCDC.
;
_audit_creation_date             2024-04-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        
2,2',7,7'-tetra(tert-butyl)-9,9'(10H,10'H)-spirobigermaacridine-10,10'-dioxyl
_chemical_formula_moiety         'C40 H48 Ge N2 O2'
_chemical_formula_sum            'C40 H48 Ge N2 O2'
_chemical_formula_weight         661.39
_chemical_melting_point          490
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.2143(6)
_cell_length_b                   24.5170(11)
_cell_length_c                   11.5348(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.632(2)
_cell_angle_gamma                90
_cell_volume                     3580.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4762
_cell_measurement_temperature    280.15
_cell_measurement_theta_max      21.189
_cell_measurement_theta_min      2.312
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.891
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6417
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0875 before and 0.0626 after correction.
The Ratio of minimum to maximum transmission is 0.8611.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.377
_exptl_crystal_size_mid          0.194
_exptl_crystal_size_min          0.152
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0794
_diffrn_reflns_av_unetI/netI     0.0512
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            38243
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.056
_diffrn_reflns_theta_max         25.056
_diffrn_reflns_theta_min         2.021
_diffrn_ambient_temperature      280.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4666
_reflns_number_total             6335
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.418
_refine_diff_density_min         -0.342
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         6335
_refine_ls_number_restraints     795
_refine_ls_R_factor_all          0.0701
_refine_ls_R_factor_gt           0.0449
_refine_ls_restrained_S_all      0.971
_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)+(0.0420P)²+1.8121P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0961
_refine_ls_wR_factor_ref         0.1078
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
O2 \\sim Ge1 \\sim C26 \\sim C27 \\sim C6 \\sim C7 \\sim C21 \\sim C25 \\sim
C32 \\sim C28 \\sim C5 \\sim C1 \\sim C8 \\sim C12 \\sim N2 \\sim C22 \\sim C24
\\sim C31 \\sim C29 \\sim C4 \\sim N1 \\sim C2 \\sim C9 \\sim C11 \\sim C23
\\sim C33 \\sim C30 \\sim C37 \\sim C3 \\sim C13 \\sim O1 \\sim C10 \\sim C17
\\sim C36 \\sim C35 \\sim C34 \\sim C39A \\sim C40 \\sim C38 \\sim C39 \\sim
C15A \\sim C14 \\sim C16 \\sim C15 \\sim C16A \\sim C14A \\sim C19 \\sim C18
\\sim C20: within 2A with sigma of 0.02 and sigma for terminal atoms of 0.04
within 2A
3. Rigid body (RIGU) restrains
 C30, Ge1, C26, C27, C6, C7, C21, C25, C32, C28, C5, C1, C8, C12, N2, C22, C24,
  C31, C29, C4, N1, C2, C9, C11, O2, C23, C33, C37, C3, C13, O1, C10, C17, C36,
 C35, C34, C39A, C40, C38, C39, C15A, C14, C16, C15, C16A, C14A, C19, C18, C20
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(C14A)=Sof(H14D)=Sof(H14E)=Sof(H14F)=Sof(C16A)=Sof(H16D)=Sof(H16E)=
 Sof(H16F)=Sof(C15A)=Sof(H15D)=Sof(H15E)=Sof(H15F)=1-FVAR(1)
 Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(H15C)=
 Sof(C16)=Sof(H16A)=Sof(H16B)=Sof(H16C)=FVAR(1)
 Sof(C39A)=Sof(H39D)=Sof(H39E)=Sof(H39F)=1-FVAR(2)
 Sof(C39)=Sof(H39A)=Sof(H39B)=Sof(H39C)=FVAR(2)
5.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C5(H5), C25(H25), C10(H10), C3(H3), C22(H22), C2(H2), C28(H28),
 C11(H11), C31(H31), C23(H23), C30(H30)
5.b Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C14(H14A,H14B,H14C), C35(H35A,H35B,H35C), C15(H15A,H15B,
 H15C), C19(H19A,H19B,H19C), C18(H18A,H18B,H18C), C34(H34A,H34B,H34C), C16(H16A,
 H16B,H16C), C40(H40A,H40B,H40C), C20(H20A,H20B,H20C), C39(H39A,H39B,H39C),
 C38(H38A,H38B,H38C), C14A(H14D,H14E,H14F), C16A(H16D,H16E,H16F), C15A(H15D,
 H15E,H15F), C39A(H39D,H39E,H39F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.77683(2) 0.59720(2) 0.41717(3) 0.04497(12) Uani 1 1 d . U . . .
O1 O 0.6672(2) 0.75843(9) 0.4871(2) 0.0740(7) Uani 1 1 d . U . . .
N1 N 0.6797(2) 0.70742(10) 0.4713(2) 0.0513(6) Uani 1 1 d . U . . .
O2 O 1.0125(2) 0.47865(12) 0.3481(4) 0.1127(12) Uani 1 1 d . U . . .
N2 N 0.9412(2) 0.51284(12) 0.3584(3) 0.0637(8) Uani 1 1 d . U . . .
C26 C 0.7700(2) 0.51885(12) 0.4061(3) 0.0445(7) Uani 1 1 d . U . . .
C21 C 0.8497(2) 0.48870(14) 0.3774(3) 0.0516(8) Uani 1 1 d . U . . .
C4 C 0.5011(3) 0.64235(14) 0.1367(3) 0.0572(8) Uani 1 1 d . U . . .
C27 C 0.9022(2) 0.61221(13) 0.3671(3) 0.0476(7) Uani 1 1 d . U . . .
C8 C 0.8092(2) 0.59625(13) 0.6810(3) 0.0485(7) Uani 1 1 d . U . . .
H8 H 0.842309 0.562860 0.679822 0.058 Uiso 1 1 calc R U . . .
C6 C 0.6531(2) 0.63475(12) 0.3163(3) 0.0458(7) Uani 1 1 d . U . . .
C9 C 0.7982(3) 0.61515(13) 0.7903(3) 0.0516(8) Uani 1 1 d . U . . .
C5 C 0.5892(3) 0.61478(13) 0.2061(3) 0.0523(8) Uani 1 1 d . U . . .
H5 H 0.606630 0.581498 0.178188 0.063 Uiso 1 1 calc R U . . .
C32 C 0.9641(2) 0.56885(15) 0.3465(3) 0.0514(8) Uani 1 1 d . U . . .
C7 C 0.7728(2) 0.62522(12) 0.5730(3) 0.0429(7) Uani 1 1 d . U . . .
C12 C 0.7234(2) 0.67511(12) 0.5771(3) 0.0462(7) Uani 1 1 d . U . . .
C25 C 0.6883(2) 0.48951(13) 0.4299(3) 0.0488(8) Uani 1 1 d . U . . .
H25 H 0.635068 0.508944 0.449586 0.059 Uiso 1 1 calc R U . . .
C10 C 0.7500(3) 0.66538(13) 0.7901(3) 0.0541(8) Uani 1 1 d . U . . .
H10 H 0.742292 0.679207 0.862134 0.065 Uiso 1 1 calc R U . . .
C3 C 0.4794(3) 0.69230(14) 0.1794(3) 0.0627(9) Uani 1 1 d . U . . .
H3 H 0.422006 0.712172 0.133361 0.075 Uiso 1 1 calc R U . . .
C1 C 0.6244(2) 0.68445(13) 0.3567(3) 0.0476(7) Uani 1 1 d . U . . .
C22 C 0.8430(3) 0.43225(14) 0.3698(3) 0.0610(9) Uani 1 1 d . U . . .
H22 H 0.894927 0.412606 0.347908 0.073 Uiso 1 1 calc R U . . .
C2 C 0.5388(3) 0.71368(14) 0.2865(3) 0.0595(9) Uani 1 1 d . U . . .
H2 H 0.522075 0.747582 0.312141 0.071 Uiso 1 1 calc R U . . .
C28 C 0.9329(3) 0.66469(14) 0.3483(3) 0.0536(8) Uani 1 1 d . U . . .
H28 H 0.891964 0.693563 0.361704 0.064 Uiso 1 1 calc R U . . .
C11 C 0.7135(3) 0.69524(13) 0.6853(3) 0.0520(8) Uani 1 1 d . U . . .
H11 H 0.681963 0.729015 0.687285 0.062 Uiso 1 1 calc R U . . .
C31 C 1.0538(3) 0.57996(17) 0.3113(3) 0.0649(9) Uani 1 1 d . U . . .
H31 H 1.096154 0.551381 0.299647 0.078 Uiso 1 1 calc R U . . .
C23 C 0.7611(3) 0.40531(14) 0.3942(3) 0.0584(9) Uani 1 1 d . U . . .
H23 H 0.758809 0.367445 0.389208 0.070 Uiso 1 1 calc R U . . .
C24 C 0.6810(3) 0.43253(13) 0.4262(3) 0.0501(8) Uani 1 1 d . U . . .
C36 C 0.4852(3) 0.42461(17) 0.3819(4) 0.0821(12) Uani 1 1 d . U . . .
H36A H 0.481611 0.463297 0.392973 0.123 Uiso 1 1 calc R U . . .
H36B H 0.429142 0.407078 0.405358 0.123 Uiso 1 1 calc R U . . .
H36C H 0.478150 0.416907 0.298380 0.123 Uiso 1 1 calc R U . . .
C29 C 1.0219(3) 0.67678(16) 0.3105(3) 0.0575(8) Uani 1 1 d . U . . .
C17 C 0.8373(3) 0.58054(15) 0.9061(3) 0.0658(10) Uani 1 1 d . U . . .
C13 C 0.4288(3) 0.61908(17) 0.0185(3) 0.0742(10) Uani 1 1 d . U . . .
C37 C 1.0497(3) 0.73489(17) 0.2838(4) 0.0750(11) Uani 1 1 d . U . . .
C33 C 0.5914(3) 0.40322(14) 0.4600(3) 0.0596(8) Uani 1 1 d . U . . .
C14 C 0.4560(6) 0.5623(3) -0.0112(6) 0.106(3) Uani 0.715(8) 1 d . U P A 1
H14A H 0.451821 0.537904 0.052350 0.159 Uiso 0.715(8) 1 calc R U P A 1
H14B H 0.526448 0.561874 -0.018914 0.159 Uiso 0.715(8) 1 calc R U P A 1
H14C H 0.407186 0.550852 -0.086032 0.159 Uiso 0.715(8) 1 calc R U P A 1
C30 C 1.0808(3) 0.63256(17) 0.2934(3) 0.0659(10) Uani 1 1 d . U . . .
H30 H 1.140954 0.638752 0.268824 0.079 Uiso 1 1 calc R U . . .
C35 C 0.6021(4) 0.41431(17) 0.5943(4) 0.0852(12) Uani 1 1 d . U . . .
H35A H 0.668222 0.400097 0.643187 0.128 Uiso 1 1 calc R U . . .
H35B H 0.545166 0.396849 0.616182 0.128 Uiso 1 1 calc R U . . .
H35C H 0.599494 0.452904 0.607173 0.128 Uiso 1 1 calc R U . . .
C15 C 0.3125(5) 0.6163(3) 0.0299(7) 0.105(3) Uani 0.715(8) 1 d . U P A 1
H15A H 0.265703 0.603105 -0.044597 0.157 Uiso 0.715(8) 1 calc R U P A 1
H15B H 0.290628 0.652076 0.046574 0.157 Uiso 0.715(8) 1 calc R U P A 1
H15C H 0.310634 0.592063 0.094586 0.157 Uiso 0.715(8) 1 calc R U P A 1
C19 C 0.8073(5) 0.6054(2) 1.0127(4) 0.120(2) Uani 1 1 d . U . . .
H19A H 0.838048 0.641036 1.029425 0.180 Uiso 1 1 calc R U . . .
H19B H 0.833003 0.582584 1.082590 0.180 Uiso 1 1 calc R U . . .
H19C H 0.731789 0.608221 0.993202 0.180 Uiso 1 1 calc R U . . .
C18 C 0.7929(4) 0.52373(18) 0.8840(4) 0.1063(16) Uani 1 1 d . U . . .
H18A H 0.717215 0.525320 0.861767 0.159 Uiso 1 1 calc R U . . .
H18B H 0.818389 0.502433 0.956351 0.159 Uiso 1 1 calc R U . . .
H18C H 0.814896 0.507171 0.819726 0.159 Uiso 1 1 calc R U . . .
C34 C 0.5936(3) 0.34136(15) 0.4429(4) 0.0826(12) Uani 1 1 d . U . . .
H34A H 0.586501 0.333286 0.359495 0.124 Uiso 1 1 calc R U . . .
H34B H 0.536255 0.324977 0.465972 0.124 Uiso 1 1 calc R U . . .
H34C H 0.659359 0.327019 0.492462 0.124 Uiso 1 1 calc R U . . .
C16 C 0.4277(7) 0.6575(3) -0.0839(6) 0.104(3) Uani 0.715(8) 1 d . U P A 1
H16A H 0.379381 0.644139 -0.157250 0.156 Uiso 0.715(8) 1 calc R U P A 1
H16B H 0.497342 0.659655 -0.093716 0.156 Uiso 0.715(8) 1 calc R U P A 1
H16C H 0.405795 0.693020 -0.065908 0.156 Uiso 0.715(8) 1 calc R U P A 1
C40 C 0.9651(4) 0.7550(2) 0.1717(5) 0.1219(19) Uani 1 1 d . U . . .
H40A H 0.963189 0.731484 0.104549 0.183 Uiso 1 1 calc R U . . .
H40B H 0.981501 0.791487 0.152998 0.183 Uiso 1 1 calc R U . . .
H40C H 0.897514 0.754579 0.187247 0.183 Uiso 1 1 calc R U . . .
C20 C 0.9587(4) 0.5773(2) 0.9399(4) 0.1090(16) Uani 1 1 d . U . . .
H20A H 0.979346 0.559344 0.876262 0.164 Uiso 1 1 calc R U . . .
H20B H 0.984770 0.557147 1.013738 0.164 Uiso 1 1 calc R U . . .
H20C H 0.987679 0.613516 0.950614 0.164 Uiso 1 1 calc R U . . .
C39 C 1.0392(18) 0.7760(6) 0.3781(16) 0.126(5) Uani 0.76(3) 1 d . U P B 3
H39A H 0.968760 0.774613 0.385745 0.188 Uiso 0.76(3) 1 calc R U P B 3
H39B H 1.053286 0.811911 0.353647 0.188 Uiso 0.76(3) 1 calc R U P B 3
H39C H 1.088808 0.767311 0.454537 0.188 Uiso 0.76(3) 1 calc R U P B 3
C38 C 1.1559(4) 0.7388(2) 0.2555(5) 0.1142(18) Uani 1 1 d . U . . .
H38A H 1.210792 0.724787 0.322569 0.171 Uiso 1 1 calc R U . . .
H38B H 1.170445 0.776265 0.241977 0.171 Uiso 1 1 calc R U . . .
H38C H 1.152959 0.717863 0.184339 0.171 Uiso 1 1 calc R U . . .
C14A C 0.5098(13) 0.6016(8) -0.0637(13) 0.094(5) Uani 0.285(8) 1 d . U P A 2
H14D H 0.555254 0.572546 -0.023969 0.141 Uiso 0.285(8) 1 calc R U P A 2
H14E H 0.551684 0.632558 -0.071886 0.141 Uiso 0.285(8) 1 calc R U P A 2
H14F H 0.468681 0.589710 -0.142410 0.141 Uiso 0.285(8) 1 calc R U P A 2
C16A C 0.3558(17) 0.6611(9) -0.0557(19) 0.114(6) Uani 0.285(8) 1 d . U P A 2
H16D H 0.327328 0.647826 -0.136888 0.171 Uiso 0.285(8) 1 calc R U P A 2
H16E H 0.394204 0.694215 -0.056989 0.171 Uiso 0.285(8) 1 calc R U P A 2
H16F H 0.299263 0.668055 -0.020898 0.171 Uiso 0.285(8) 1 calc R U P A 2
C15A C 0.3807(15) 0.5705(8) 0.0475(16) 0.098(5) Uani 0.285(8) 1 d . U P A 2
H15D H 0.325899 0.558698 -0.022239 0.147 Uiso 0.285(8) 1 calc R U P A 2
H15E H 0.351038 0.577854 0.112699 0.147 Uiso 0.285(8) 1 calc R U P A 2
H15F H 0.433086 0.542324 0.071361 0.147 Uiso 0.285(8) 1 calc R U P A 2
C39A C 1.099(5) 0.7564(17) 0.417(3) 0.114(8) Uani 0.24(3) 1 d . U P B 4
H39D H 1.043290 0.767922 0.449821 0.170 Uiso 0.24(3) 1 calc R U P B 4
H39E H 1.144818 0.786624 0.416245 0.170 Uiso 0.24(3) 1 calc R U P B 4
H39F H 1.138506 0.727647 0.466230 0.170 Uiso 0.24(3) 1 calc R U P B 4


_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 C26 1.926(3) . ?
Ge1 C27 1.939(3) . ?
Ge1 C6 1.946(3) . ?
Ge1 C7 1.939(3) . ?
O1 N1 1.281(3) . ?
N1 C12 1.431(4) . ?
N1 C1 1.430(4) . ?
O2 N2 1.292(3) . ?
N2 C21 1.419(4) . ?
N2 C32 1.421(4) . ?
C26 C21 1.401(4) . ?
C26 C25 1.389(4) . ?
C21 C22 1.388(5) . ?
C4 C5 1.386(4) . ?
C4 C3 1.380(5) . ?
C4 C13 1.533(5) . ?
C27 C32 1.403(4) . ?
C27 C28 1.385(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.390(4) . ?
C8 C7 1.394(4) . ?
C6 C5 1.398(4) . ?
C6 C1 1.395(4) . ?
C9 C10 1.386(4) . ?
C9 C17 1.541(5) . ?
C5 H5 0.9300 . ?
C32 C31 1.385(4) . ?
C7 C12 1.393(4) . ?
C12 C11 1.383(4) . ?
C25 H25 0.9300 . ?
C25 C24 1.400(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.377(4) . ?
C3 H3 0.9300 . ?
C3 C2 1.364(5) . ?
C1 C2 1.387(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.365(5) . ?
C2 H2 0.9300 . ?
C28 H28 0.9300 . ?
C28 C29 1.398(4) . ?
C11 H11 0.9300 . ?
C31 H31 0.9300 . ?
C31 C30 1.369(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.387(4) . ?
C24 C33 1.528(5) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C36 C33 1.527(5) . ?
C29 C37 1.525(5) . ?
C29 C30 1.381(5) . ?
C17 C19 1.523(5) . ?
C17 C18 1.504(5) . ?
C17 C20 1.541(6) . ?
C13 C14 1.502(8) . ?
C13 C15 1.580(8) . ?
C13 C16 1.507(7) . ?
C13 C14A 1.676(16) . ?
C13 C16A 1.500(18) . ?
C13 C15A 1.434(17) . ?
C37 C40 1.528(6) . ?
C37 C39 1.517(9) . ?
C37 C38 1.532(5) . ?
C37 C39A 1.58(3) . ?
C33 C35 1.539(5) . ?
C33 C34 1.531(5) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C30 H30 0.9300 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C14A H14D 0.9600 . ?
C14A H14E 0.9600 . ?
C14A H14F 0.9600 . ?
C16A H16D 0.9600 . ?
C16A H16E 0.9600 . ?
C16A H16F 0.9600 . ?
C15A H15D 0.9600 . ?
C15A H15E 0.9600 . ?
C15A H15F 0.9600 . ?
C39A H39D 0.9600 . ?
C39A H39E 0.9600 . ?
C39A H39F 0.9600 . ?

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
C26 Ge1 C27 101.37(13) . . ?
C26 Ge1 C6 114.64(13) . . ?
C26 Ge1 C7 113.69(13) . . ?
C27 Ge1 C6 112.04(12) . . ?
C27 Ge1 C7 117.49(12) . . ?
C7 Ge1 C6 98.35(12) . . ?
O1 N1 C12 117.1(2) . . ?
O1 N1 C1 117.6(3) . . ?
C1 N1 C12 123.0(2) . . ?
O2 N2 C21 114.8(3) . . ?
O2 N2 C32 115.9(3) . . ?
C21 N2 C32 129.3(3) . . ?
C21 C26 Ge1 121.2(2) . . ?
C25 C26 Ge1 121.9(2) . . ?
C25 C26 C21 116.9(3) . . ?
C26 C21 N2 123.2(3) . . ?
C22 C21 N2 116.6(3) . . ?
C22 C21 C26 120.2(3) . . ?
C5 C4 C13 122.6(3) . . ?
C3 C4 C5 116.9(3) . . ?
C3 C4 C13 120.5(3) . . ?
C32 C27 Ge1 119.8(2) . . ?
C28 C27 Ge1 122.4(2) . . ?
C28 C27 C32 117.8(3) . . ?
C9 C8 H8 118.6 . . ?
C9 C8 C7 122.8(3) . . ?
C7 C8 H8 118.6 . . ?
C5 C6 Ge1 124.3(2) . . ?
C1 C6 Ge1 118.4(2) . . ?
C1 C6 C5 117.3(3) . . ?
C8 C9 C17 120.4(3) . . ?
C10 C9 C8 117.5(3) . . ?
C10 C9 C17 122.1(3) . . ?
C4 C5 C6 122.9(3) . . ?
C4 C5 H5 118.5 . . ?
C6 C5 H5 118.5 . . ?
C27 C32 N2 124.4(3) . . ?
C31 C32 N2 116.2(3) . . ?
C31 C32 C27 119.4(3) . . ?
C8 C7 Ge1 123.6(2) . . ?
C12 C7 Ge1 118.6(2) . . ?
C12 C7 C8 117.5(3) . . ?
C7 C12 N1 122.4(3) . . ?
C11 C12 N1 116.9(3) . . ?
C11 C12 C7 120.7(3) . . ?
C26 C25 H25 117.9 . . ?
C26 C25 C24 124.2(3) . . ?
C24 C25 H25 117.9 . . ?
C9 C10 H10 119.3 . . ?
C11 C10 C9 121.3(3) . . ?
C11 C10 H10 119.3 . . ?
C4 C3 H3 118.7 . . ?
C2 C3 C4 122.7(3) . . ?
C2 C3 H3 118.7 . . ?
C6 C1 N1 122.4(3) . . ?
C2 C1 N1 116.9(3) . . ?
C2 C1 C6 120.7(3) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.6(3) . . ?
C23 C22 H22 119.7 . . ?
C3 C2 C1 119.4(3) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C27 C28 H28 118.1 . . ?
C27 C28 C29 123.8(3) . . ?
C29 C28 H28 118.1 . . ?
C12 C11 H11 119.9 . . ?
C10 C11 C12 120.2(3) . . ?
C10 C11 H11 119.9 . . ?
C32 C31 H31 119.6 . . ?
C30 C31 C32 120.7(3) . . ?
C30 C31 H31 119.6 . . ?
C22 C23 H23 118.9 . . ?
C22 C23 C24 122.2(3) . . ?
C24 C23 H23 118.9 . . ?
C25 C24 C33 120.9(3) . . ?
C23 C24 C25 115.9(3) . . ?
C23 C24 C33 123.2(3) . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
C28 C29 C37 122.3(3) . . ?
C30 C29 C28 115.9(3) . . ?
C30 C29 C37 121.7(3) . . ?
C19 C17 C9 112.3(3) . . ?
C19 C17 C20 108.0(4) . . ?
C18 C17 C9 110.2(3) . . ?
C18 C17 C19 109.2(4) . . ?
C18 C17 C20 108.8(4) . . ?
C20 C17 C9 108.3(3) . . ?
C4 C13 C15 108.4(4) . . ?
C4 C13 C14A 105.2(6) . . ?
C14 C13 C4 114.8(4) . . ?
C14 C13 C15 106.3(5) . . ?
C14 C13 C16 110.4(5) . . ?
C16 C13 C4 109.2(4) . . ?
C16 C13 C15 107.5(5) . . ?
C16A C13 C4 112.8(9) . . ?
C16A C13 C14A 105.2(12) . . ?
C15A C13 C4 107.9(7) . . ?
C15A C13 C14A 108.4(11) . . ?
C15A C13 C16A 116.6(13) . . ?
C29 C37 C40 108.2(4) . . ?
C29 C37 C38 113.0(4) . . ?
C29 C37 C39A 99.8(13) . . ?
C40 C37 C38 107.0(4) . . ?
C40 C37 C39A 136(2) . . ?
C39 C37 C29 113.5(6) . . ?
C39 C37 C40 101.4(11) . . ?
C39 C37 C38 112.8(7) . . ?
C38 C37 C39A 92(2) . . ?
C24 C33 C35 108.6(3) . . ?
C24 C33 C34 112.9(3) . . ?
C36 C33 C24 109.6(3) . . ?
C36 C33 C35 109.7(3) . . ?
C36 C33 C34 108.2(3) . . ?
C34 C33 C35 107.8(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C31 C30 C29 122.4(3) . . ?
C31 C30 H30 118.8 . . ?
C29 C30 H30 118.8 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C13 C14A H14D 109.5 . . ?
C13 C14A H14E 109.5 . . ?
C13 C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C13 C16A H16D 109.5 . . ?
C13 C16A H16E 109.5 . . ?
C13 C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C13 C15A H15D 109.5 . . ?
C13 C15A H15E 109.5 . . ?
C13 C15A H15F 109.5 . . ?
H15D C15A H15E 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
C37 C39A H39D 109.5 . . ?
C37 C39A H39E 109.5 . . ?
C37 C39A H39F 109.5 . . ?
H39D C39A H39E 109.5 . . ?
H39D C39A H39F 109.5 . . ?
H39E C39A H39F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ge1 C26 C21 N2 1.9(4) . . . . ?
Ge1 C26 C21 C22 -179.9(2) . . . . ?
Ge1 C26 C25 C24 -178.3(2) . . . . ?
Ge1 C27 C32 N2 0.8(4) . . . . ?
Ge1 C27 C32 C31 -179.7(2) . . . . ?
Ge1 C27 C28 C29 -179.0(2) . . . . ?
Ge1 C6 C5 C4 179.6(2) . . . . ?
Ge1 C6 C1 N1 -2.8(4) . . . . ?
Ge1 C6 C1 C2 178.0(2) . . . . ?
Ge1 C7 C12 N1 -2.7(4) . . . . ?
Ge1 C7 C12 C11 176.4(2) . . . . ?
O1 N1 C12 C7 -158.2(3) . . . . ?
O1 N1 C12 C11 22.6(4) . . . . ?
O1 N1 C1 C6 161.6(3) . . . . ?
O1 N1 C1 C2 -19.1(4) . . . . ?
N1 C12 C11 C10 177.5(3) . . . . ?
N1 C1 C2 C3 -176.3(3) . . . . ?
O2 N2 C21 C26 171.5(3) . . . . ?
O2 N2 C21 C22 -6.6(5) . . . . ?
O2 N2 C32 C27 -173.1(3) . . . . ?
O2 N2 C32 C31 7.4(5) . . . . ?
N2 C21 C22 C23 175.9(3) . . . . ?
N2 C32 C31 C30 177.8(3) . . . . ?
C26 C21 C22 C23 -2.3(5) . . . . ?
C26 C25 C24 C23 -1.2(5) . . . . ?
C26 C25 C24 C33 176.8(3) . . . . ?
C21 N2 C32 C27 8.4(5) . . . . ?
C21 N2 C32 C31 -171.1(3) . . . . ?
C21 C26 C25 C24 -0.4(5) . . . . ?
C21 C22 C23 C24 0.6(5) . . . . ?
C4 C3 C2 C1 -0.4(5) . . . . ?
C27 C32 C31 C30 -1.7(5) . . . . ?
C27 C28 C29 C37 176.4(3) . . . . ?
C27 C28 C29 C30 -0.8(5) . . . . ?
C8 C9 C10 C11 0.7(5) . . . . ?
C8 C9 C17 C19 -173.7(4) . . . . ?
C8 C9 C17 C18 -51.8(5) . . . . ?
C8 C9 C17 C20 67.1(4) . . . . ?
C8 C7 C12 N1 -177.8(3) . . . . ?
C8 C7 C12 C11 1.3(4) . . . . ?
C6 C1 C2 C3 3.0(5) . . . . ?
C9 C8 C7 Ge1 -174.8(2) . . . . ?
C9 C8 C7 C12 0.0(5) . . . . ?
C9 C10 C11 C12 0.6(5) . . . . ?
C5 C4 C3 C2 -1.9(5) . . . . ?
C5 C4 C13 C14 4.5(6) . . . . ?
C5 C4 C13 C15 123.1(5) . . . . ?
C5 C4 C13 C16 -120.1(5) . . . . ?
C5 C4 C13 C14A -51.5(8) . . . . ?
C5 C4 C13 C16A -165.7(12) . . . . ?
C5 C4 C13 C15A 64.0(10) . . . . ?
C5 C6 C1 N1 176.1(3) . . . . ?
C5 C6 C1 C2 -3.1(4) . . . . ?
C32 N2 C21 C26 -10.0(5) . . . . ?
C32 N2 C21 C22 171.9(3) . . . . ?
C32 C27 C28 C29 -0.1(5) . . . . ?
C32 C31 C30 C29 0.8(6) . . . . ?
C7 C8 C9 C10 -0.9(5) . . . . ?
C7 C8 C9 C17 178.3(3) . . . . ?
C7 C12 C11 C10 -1.6(5) . . . . ?
C12 N1 C1 C6 -35.9(4) . . . . ?
C12 N1 C1 C2 143.4(3) . . . . ?
C25 C26 C21 N2 -176.0(3) . . . . ?
C25 C26 C21 C22 2.2(5) . . . . ?
C25 C24 C33 C36 55.9(4) . . . . ?
C25 C24 C33 C35 -64.0(4) . . . . ?
C25 C24 C33 C34 176.6(3) . . . . ?
C10 C9 C17 C19 5.5(5) . . . . ?
C10 C9 C17 C18 127.4(4) . . . . ?
C10 C9 C17 C20 -113.7(4) . . . . ?
C3 C4 C5 C6 1.7(5) . . . . ?
C3 C4 C13 C14 -174.6(5) . . . . ?
C3 C4 C13 C15 -56.0(5) . . . . ?
C3 C4 C13 C16 60.8(6) . . . . ?
C3 C4 C13 C14A 129.4(8) . . . . ?
C3 C4 C13 C16A 15.2(13) . . . . ?
C3 C4 C13 C15A -115.0(10) . . . . ?
C1 N1 C12 C7 39.2(4) . . . . ?
C1 N1 C12 C11 -140.0(3) . . . . ?
C1 C6 C5 C4 0.7(5) . . . . ?
C22 C23 C24 C25 1.1(5) . . . . ?
C22 C23 C24 C33 -176.9(3) . . . . ?
C28 C27 C32 N2 -178.1(3) . . . . ?
C28 C27 C32 C31 1.4(5) . . . . ?
C28 C29 C37 C40 -67.2(5) . . . . ?
C28 C29 C37 C39 44.4(12) . . . . ?
C28 C29 C37 C38 174.5(4) . . . . ?
C28 C29 C37 C39A 78(2) . . . . ?
C28 C29 C30 C31 0.5(5) . . . . ?
C23 C24 C33 C36 -126.3(4) . . . . ?
C23 C24 C33 C35 113.8(4) . . . . ?
C23 C24 C33 C34 -5.6(5) . . . . ?
C17 C9 C10 C11 -178.5(3) . . . . ?
C13 C4 C5 C6 -177.4(3) . . . . ?
C13 C4 C3 C2 177.2(3) . . . . ?
C37 C29 C30 C31 -176.7(3) . . . . ?
C30 C29 C37 C40 109.8(4) . . . . ?
C30 C29 C37 C39 -138.5(11) . . . . ?
C30 C29 C37 C38 -8.5(5) . . . . ?
C30 C29 C37 C39A -105(2) . . . . ?

_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_240402_oge_250k_0ma
_database_code_depnum_ccdc_archive 'CCDC 2348901'
loop_
_audit_author_name
_audit_author_address
'Takuya Kanetomo'
;Tokyo University of Science
Japan
;
_audit_update_record             
;
2024-04-17 deposited with the CCDC.	2024-09-24 downloaded from the CCDC.
;
_audit_creation_date             2024-04-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        
2,2',7,7'-tetra(tert-butyl)-9,9'(10H,10'H)-spirobigermaacridine-10,10'-dioxyl
_chemical_formula_moiety         'C40 H48 Ge N2 O2'
_chemical_formula_sum            'C40 H48 Ge N2 O2'
_chemical_formula_weight         661.39
_chemical_melting_point          490
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.1487(6)
_cell_length_b                   24.5633(11)
_cell_length_c                   11.5008(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.667(2)
_cell_angle_gamma                90
_cell_volume                     3558.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4965
_cell_measurement_temperature    250.15
_cell_measurement_theta_max      21.934
_cell_measurement_theta_min      2.316
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.896
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6396
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0857 before and 0.0624 after correction.
The Ratio of minimum to maximum transmission is 0.8583.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.377
_exptl_crystal_size_mid          0.194
_exptl_crystal_size_min          0.152
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0784
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            38159
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.118
_diffrn_reflns_theta_max         25.118
_diffrn_reflns_theta_min         2.026
_diffrn_ambient_temperature      250.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4693
_reflns_number_total             6349
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.476
_refine_diff_density_min         -0.371
_refine_diff_density_rms         0.048
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         6349
_refine_ls_number_restraints     799
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0439
_refine_ls_restrained_S_all      0.968
_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)+(0.0385P)²+1.9578P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.1034
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C13-C14 \\sim C13-C14A
 with sigma of 0.02
 C37-C39 \\sim C37-C39A
 with sigma of 0.02
 C13-C15 \\sim C13-C15A
 with sigma of 0.02
 C13-C16 \\sim C13-C16A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C30 \\sim Ge1 \\sim C26 \\sim C27 \\sim C6 \\sim C7 \\sim C21 \\sim C25 \\sim
C32 \\sim C28 \\sim C5 \\sim C1 \\sim C8 \\sim C12 \\sim N2 \\sim C22 \\sim C24
\\sim C31 \\sim C29 \\sim C4 \\sim C2 \\sim N1 \\sim C9 \\sim C11 \\sim O2
\\sim C23 \\sim C33 \\sim C37 \\sim C3 \\sim C13 \\sim O1 \\sim C10 \\sim C17
\\sim C36 \\sim C35 \\sim C34 \\sim C40 \\sim C39 \\sim C38 \\sim C39A \\sim
C14 \\sim C16 \\sim C15A \\sim C16A \\sim C14A \\sim C15 \\sim C19 \\sim C18
\\sim C20: within 2A with sigma of 0.02 and sigma for terminal atoms of 0.04
within 2A
4. Rigid body (RIGU) restrains
 C31, Ge1, C26, C27, C6, C7, C21, C25, C32, C28, C5, C1, C8, C12, N2, C22, C24,
  C29, C4, C2, N1, C9, C11, O2, C23, C33, C30, C37, C3, C13, O1, C10, C17, C36,
 C35, C34, C40, C39, C38, C39A, C14, C16, C15A, C16A, C14A, C15, C19, C18, C20
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C14A)=Sof(H14D)=Sof(H14E)=Sof(H14F)=Sof(C16A)=Sof(H16D)=Sof(H16E)=
 Sof(H16F)=Sof(C15A)=Sof(H15D)=Sof(H15E)=Sof(H15F)=1-FVAR(1)
 Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(H15C)=
 Sof(C16)=Sof(H16A)=Sof(H16B)=Sof(H16C)=FVAR(1)
 Sof(C39A)=Sof(H39D)=Sof(H39E)=Sof(H39F)=1-FVAR(2)
 Sof(C39)=Sof(H39A)=Sof(H39B)=Sof(H39C)=FVAR(2)
6.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C5(H5), C25(H25), C10(H10), C3(H3), C22(H22), C2(H2), C28(H28),
 C11(H11), C31(H31), C23(H23), C30(H30)
6.b Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C14(H14A,H14B,H14C), C35(H35A,H35B,H35C), C15(H15A,H15B,
 H15C), C19(H19A,H19B,H19C), C18(H18A,H18B,H18C), C34(H34A,H34B,H34C), C16(H16A,
 H16B,H16C), C40(H40A,H40B,H40C), C20(H20A,H20B,H20C), C39(H39A,H39B,H39C),
 C38(H38A,H38B,H38C), C14A(H14D,H14E,H14F), C16A(H16D,H16E,H16F), C15A(H15D,
 H15E,H15F), C39A(H39D,H39E,H39F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.77648(2) 0.59772(2) 0.41586(3) 0.04201(11) Uani 1 1 d . U . . .
O1 O 0.6651(2) 0.75852(9) 0.4859(2) 0.0671(7) Uani 1 1 d . U . . .
N1 N 0.6781(2) 0.70753(10) 0.4703(2) 0.0478(6) Uani 1 1 d . U . . .
O2 O 1.0138(2) 0.48011(12) 0.3458(3) 0.1075(11) Uani 1 1 d . U . . .
N2 N 0.9425(2) 0.51384(12) 0.3570(3) 0.0596(7) Uani 1 1 d . U . . .
C26 C 0.7702(2) 0.51959(12) 0.4054(2) 0.0420(7) Uani 1 1 d . U . . .
C21 C 0.8512(2) 0.48967(13) 0.3769(3) 0.0480(7) Uani 1 1 d . U . . .
C4 C 0.4988(3) 0.64230(14) 0.1346(3) 0.0517(8) Uani 1 1 d . U . . .
C27 C 0.9023(2) 0.61307(13) 0.3654(2) 0.0444(7) Uani 1 1 d . U . . .
C8 C 0.8087(2) 0.59660(13) 0.6805(3) 0.0471(7) Uani 1 1 d . U . . .
H8 H 0.842680 0.563015 0.679336 0.057 Uiso 1 1 calc R U . . .
C6 C 0.6519(2) 0.63488(12) 0.3150(3) 0.0429(7) Uani 1 1 d . U . . .
C9 C 0.7971(3) 0.61531(13) 0.7903(3) 0.0489(8) Uani 1 1 d . U . . .
C5 C 0.5880(2) 0.61482(13) 0.2046(3) 0.0484(8) Uani 1 1 d . U . . .
H5 H 0.606010 0.581310 0.176305 0.058 Uiso 1 1 calc R U . . .
C32 C 0.9649(2) 0.56991(14) 0.3452(3) 0.0493(8) Uani 1 1 d . U . . .
C7 C 0.7722(2) 0.62561(12) 0.5724(3) 0.0408(7) Uani 1 1 d . U . . .
C12 C 0.7221(2) 0.67536(12) 0.5764(3) 0.0419(7) Uani 1 1 d . U . . .
C25 C 0.6888(2) 0.48998(13) 0.4303(3) 0.0462(7) Uani 1 1 d . U . . .
H25 H 0.634652 0.509394 0.450556 0.055 Uiso 1 1 calc R U . . .
C10 C 0.7485(3) 0.66538(13) 0.7902(3) 0.0505(8) Uani 1 1 d . U . . .
H10 H 0.740372 0.679235 0.863225 0.061 Uiso 1 1 calc R U . . .
C3 C 0.4765(3) 0.69215(14) 0.1770(3) 0.0579(9) Uani 1 1 d . U . . .
H3 H 0.418247 0.712157 0.130048 0.069 Uiso 1 1 calc R U . . .
C1 C 0.6228(2) 0.68442(12) 0.3553(3) 0.0437(7) Uani 1 1 d . U . . .
C22 C 0.8449(3) 0.43312(14) 0.3707(3) 0.0576(9) Uani 1 1 d . U . . .
H22 H 0.897801 0.413304 0.348953 0.069 Uiso 1 1 calc R U . . .
C2 C 0.5360(3) 0.71350(13) 0.2848(3) 0.0550(8) Uani 1 1 d . U . . .
H2 H 0.518564 0.747549 0.311041 0.066 Uiso 1 1 calc R U . . .
C28 C 0.9326(3) 0.66560(14) 0.3461(3) 0.0515(8) Uani 1 1 d . U . . .
H28 H 0.890981 0.694684 0.359782 0.062 Uiso 1 1 calc R U . . .
C11 C 0.7120(2) 0.69527(13) 0.6848(3) 0.0482(8) Uani 1 1 d . U . . .
H11 H 0.680091 0.729363 0.686853 0.058 Uiso 1 1 calc R U . . .
C31 C 1.0551(3) 0.58121(16) 0.3090(3) 0.0609(9) Uani 1 1 d . U . . .
H31 H 1.098280 0.552518 0.297034 0.073 Uiso 1 1 calc R U . . .
C23 C 0.7631(3) 0.40609(14) 0.3956(3) 0.0537(8) Uani 1 1 d . U . . .
H23 H 0.761420 0.367873 0.391296 0.064 Uiso 1 1 calc R U . . .
C24 C 0.6823(2) 0.43302(13) 0.4271(3) 0.0472(7) Uani 1 1 d . U . . .
C36 C 0.4862(3) 0.42399(16) 0.3825(4) 0.0763(11) Uani 1 1 d . U . . .
H36A H 0.481908 0.463111 0.391607 0.114 Uiso 1 1 calc R U . . .
H36B H 0.429655 0.406499 0.407248 0.114 Uiso 1 1 calc R U . . .
H36C H 0.479094 0.415333 0.298234 0.114 Uiso 1 1 calc R U . . .
C29 C 1.0217(3) 0.67765(15) 0.3075(3) 0.0541(8) Uani 1 1 d . U . . .
C17 C 0.8364(3) 0.58067(15) 0.9057(3) 0.0607(9) Uani 1 1 d . U . . .
C13 C 0.4261(3) 0.61919(16) 0.0157(3) 0.0659(9) Uani 1 1 d D U . . .
C37 C 1.0480(3) 0.73581(17) 0.2792(4) 0.0716(10) Uani 1 1 d D U . . .
C33 C 0.5933(3) 0.40362(14) 0.4617(3) 0.0561(8) Uani 1 1 d . U . . .
C14 C 0.4543(5) 0.5623(2) -0.0141(6) 0.093(2) Uani 0.750(7) 1 d D U P A 1
H14A H 0.524344 0.562427 -0.026226 0.139 Uiso 0.750(7) 1 calc R U P A 1
H14B H 0.402598 0.549805 -0.087652 0.139 Uiso 0.750(7) 1 calc R U P A 1
H14C H 0.454074 0.537989 0.052329 0.139 Uiso 0.750(7) 1 calc R U P A 1
C30 C 1.0811(3) 0.63371(16) 0.2909(3) 0.0618(9) Uani 1 1 d . U . . .
H30 H 1.142218 0.640132 0.265996 0.074 Uiso 1 1 calc R U . . .
C35 C 0.6029(3) 0.41547(16) 0.5961(3) 0.0764(11) Uani 1 1 d . U . . .
H35A H 0.670032 0.401433 0.646650 0.115 Uiso 1 1 calc R U . . .
H35B H 0.544982 0.397977 0.618154 0.115 Uiso 1 1 calc R U . . .
H35C H 0.599927 0.454466 0.608024 0.115 Uiso 1 1 calc R U . . .
C15 C 0.3096(4) 0.6162(3) 0.0263(6) 0.092(2) Uani 0.750(7) 1 d D U P A 1
H15A H 0.307879 0.592318 0.092826 0.138 Uiso 0.750(7) 1 calc R U P A 1
H15B H 0.262628 0.602196 -0.048772 0.138 Uiso 0.750(7) 1 calc R U P A 1
H15C H 0.286597 0.652385 0.041489 0.138 Uiso 0.750(7) 1 calc R U P A 1
C19 C 0.8056(4) 0.60530(19) 1.0127(3) 0.1029(16) Uani 1 1 d . U . . .
H19A H 0.836855 0.641219 1.030285 0.154 Uiso 1 1 calc R U . . .
H19B H 0.831307 0.582152 1.083396 0.154 Uiso 1 1 calc R U . . .
H19C H 0.728879 0.608185 0.992430 0.154 Uiso 1 1 calc R U . . .
C18 C 0.7908(4) 0.52376(17) 0.8829(4) 0.0925(14) Uani 1 1 d . U . . .
H18A H 0.713909 0.525683 0.858435 0.139 Uiso 1 1 calc R U . . .
H18B H 0.815025 0.502398 0.956637 0.139 Uiso 1 1 calc R U . . .
H18C H 0.814312 0.506727 0.818986 0.139 Uiso 1 1 calc R U . . .
C34 C 0.5966(3) 0.34165(14) 0.4466(4) 0.0750(11) Uani 1 1 d . U . . .
H34A H 0.588199 0.332937 0.362135 0.113 Uiso 1 1 calc R U . . .
H34B H 0.539535 0.325043 0.472053 0.113 Uiso 1 1 calc R U . . .
H34C H 0.664241 0.327781 0.496211 0.113 Uiso 1 1 calc R U . . .
C16 C 0.4259(6) 0.6579(3) -0.0870(5) 0.092(2) Uani 0.750(7) 1 d D U P A 1
H16A H 0.401260 0.693385 -0.070036 0.138 Uiso 0.750(7) 1 calc R U P A 1
H16B H 0.379061 0.643930 -0.162295 0.138 Uiso 0.750(7) 1 calc R U P A 1
H16C H 0.497354 0.661029 -0.094355 0.138 Uiso 0.750(7) 1 calc R U P A 1
C40 C 0.9634(4) 0.7548(2) 0.1654(5) 0.1096(17) Uani 1 1 d . U . . .
H40A H 0.963178 0.730941 0.098134 0.164 Uiso 1 1 calc R U . . .
H40B H 0.978975 0.791730 0.145902 0.164 Uiso 1 1 calc R U . . .
H40C H 0.894264 0.753834 0.179853 0.164 Uiso 1 1 calc R U . . .
C20 C 0.9587(3) 0.5769(2) 0.9406(4) 0.0945(14) Uani 1 1 d . U . . .
H20A H 0.979879 0.560150 0.874787 0.142 Uiso 1 1 calc R U . . .
H20B H 0.984197 0.555071 1.013423 0.142 Uiso 1 1 calc R U . . .
H20C H 0.988841 0.613185 0.955463 0.142 Uiso 1 1 calc R U . . .
C39 C 1.032(2) 0.7778(6) 0.3696(18) 0.101(4) Uani 0.68(4) 1 d D U P B 3
H39A H 0.958561 0.776409 0.372194 0.152 Uiso 0.68(4) 1 calc R U P B 3
H39B H 1.047043 0.813805 0.344651 0.152 Uiso 0.68(4) 1 calc R U P B 3
H39C H 1.078762 0.769792 0.449530 0.152 Uiso 0.68(4) 1 calc R U P B 3
C38 C 1.1556(4) 0.7399(2) 0.2521(5) 0.1061(16) Uani 1 1 d . U . . .
H38A H 1.210859 0.725302 0.319948 0.159 Uiso 1 1 calc R U . . .
H38B H 1.170837 0.777781 0.239853 0.159 Uiso 1 1 calc R U . . .
H38C H 1.152946 0.719295 0.179379 0.159 Uiso 1 1 calc R U . . .
C14A C 0.5026(13) 0.6029(8) -0.0661(13) 0.084(5) Uani 0.250(7) 1 d D U P A 2
H14D H 0.540955 0.634923 -0.079677 0.127 Uiso 0.250(7) 1 calc R U P A 2
H14E H 0.460141 0.588711 -0.143509 0.127 Uiso 0.250(7) 1 calc R U P A 2
H14F H 0.552752 0.575401 -0.024412 0.127 Uiso 0.250(7) 1 calc R U P A 2
C16A C 0.3520(17) 0.6608(8) -0.0580(18) 0.099(6) Uani 0.250(7) 1 d D U P A 2
H16D H 0.296225 0.668446 -0.020449 0.149 Uiso 0.250(7) 1 calc R U P A 2
H16E H 0.320734 0.646875 -0.139402 0.149 Uiso 0.250(7) 1 calc R U P A 2
H16F H 0.390865 0.693939 -0.061947 0.149 Uiso 0.250(7) 1 calc R U P A 2
C15A C 0.3787(16) 0.5681(7) 0.0458(15) 0.090(6) Uani 0.250(7) 1 d D U P A 2
H15D H 0.432610 0.539949 0.066531 0.135 Uiso 0.250(7) 1 calc R U P A 2
H15E H 0.321474 0.556537 -0.023746 0.135 Uiso 0.250(7) 1 calc R U P A 2
H15F H 0.350987 0.574463 0.114224 0.135 Uiso 0.250(7) 1 calc R U P A 2
C39A C 1.089(4) 0.7629(15) 0.406(2) 0.104(7) Uani 0.32(4) 1 d D U P B 4
H39D H 1.034965 0.760856 0.447699 0.156 Uiso 0.32(4) 1 calc R U P B 4
H39E H 1.106485 0.800700 0.396370 0.156 Uiso 0.32(4) 1 calc R U P B 4
H39F H 1.152500 0.743951 0.453159 0.156 Uiso 0.32(4) 1 calc R U P B 4


_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 C26 1.923(3) . ?
Ge1 C27 1.941(3) . ?
Ge1 C6 1.942(3) . ?
Ge1 C7 1.942(3) . ?
O1 N1 1.284(3) . ?
N1 C12 1.430(4) . ?
N1 C1 1.431(4) . ?
O2 N2 1.285(3) . ?
N2 C21 1.417(4) . ?
N2 C32 1.423(4) . ?
C26 C21 1.407(4) . ?
C26 C25 1.390(4) . ?
C21 C22 1.392(4) . ?
C4 C5 1.392(4) . ?
C4 C3 1.380(5) . ?
C4 C13 1.535(5) . ?
C27 C32 1.401(4) . ?
C27 C28 1.387(4) . ?
C8 H8 0.9400 . ?
C8 C9 1.393(4) . ?
C8 C7 1.394(4) . ?
C6 C5 1.396(4) . ?
C6 C1 1.395(4) . ?
C9 C10 1.385(4) . ?
C9 C17 1.536(4) . ?
C5 H5 0.9400 . ?
C32 C31 1.393(4) . ?
C7 C12 1.395(4) . ?
C12 C11 1.380(4) . ?
C25 H25 0.9400 . ?
C25 C24 1.402(4) . ?
C10 H10 0.9400 . ?
C10 C11 1.381(4) . ?
C3 H3 0.9400 . ?
C3 C2 1.366(5) . ?
C1 C2 1.392(4) . ?
C22 H22 0.9400 . ?
C22 C23 1.363(4) . ?
C2 H2 0.9400 . ?
C28 H28 0.9400 . ?
C28 C29 1.398(4) . ?
C11 H11 0.9400 . ?
C31 H31 0.9400 . ?
C31 C30 1.366(5) . ?
C23 H23 0.9400 . ?
C23 C24 1.384(4) . ?
C24 C33 1.523(5) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 H36C 0.9700 . ?
C36 C33 1.525(5) . ?
C29 C37 1.527(5) . ?
C29 C30 1.378(5) . ?
C17 C19 1.527(5) . ?
C17 C18 1.514(5) . ?
C17 C20 1.544(5) . ?
C13 C14 1.511(7) . ?
C13 C15 1.572(6) . ?
C13 C16 1.515(6) . ?
C13 C14A 1.612(13) . ?
C13 C16A 1.496(13) . ?
C13 C15A 1.486(14) . ?
C37 C40 1.528(6) . ?
C37 C39 1.522(8) . ?
C37 C38 1.537(5) . ?
C37 C39A 1.552(14) . ?
C33 C35 1.542(5) . ?
C33 C34 1.534(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?
C30 H30 0.9400 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 H35C 0.9700 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 H19C 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 H18C 0.9700 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 H34C 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 H40C 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 H20C 0.9700 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 H39C 0.9700 . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C38 H38C 0.9700 . ?
C14A H14D 0.9700 . ?
C14A H14E 0.9700 . ?
C14A H14F 0.9700 . ?
C16A H16D 0.9700 . ?
C16A H16E 0.9700 . ?
C16A H16F 0.9700 . ?
C15A H15D 0.9700 . ?
C15A H15E 0.9700 . ?
C15A H15F 0.9700 . ?
C39A H39D 0.9700 . ?
C39A H39E 0.9700 . ?
C39A H39F 0.9700 . ?

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
C26 Ge1 C27 101.55(13) . . ?
C26 Ge1 C6 114.68(12) . . ?
C26 Ge1 C7 113.46(12) . . ?
C27 Ge1 C6 112.05(12) . . ?
C27 Ge1 C7 117.54(12) . . ?
C7 Ge1 C6 98.28(12) . . ?
O1 N1 C12 117.2(2) . . ?
O1 N1 C1 117.6(2) . . ?
C12 N1 C1 122.9(2) . . ?
O2 N2 C21 115.0(3) . . ?
O2 N2 C32 116.0(3) . . ?
C21 N2 C32 129.0(3) . . ?
C21 C26 Ge1 120.9(2) . . ?
C25 C26 Ge1 122.1(2) . . ?
C25 C26 C21 117.0(3) . . ?
C26 C21 N2 123.5(3) . . ?
C22 C21 N2 116.8(3) . . ?
C22 C21 C26 119.7(3) . . ?
C5 C4 C13 122.8(3) . . ?
C3 C4 C5 117.0(3) . . ?
C3 C4 C13 120.1(3) . . ?
C32 C27 Ge1 119.6(2) . . ?
C28 C27 Ge1 122.5(2) . . ?
C28 C27 C32 117.9(3) . . ?
C9 C8 H8 118.6 . . ?
C9 C8 C7 122.7(3) . . ?
C7 C8 H8 118.6 . . ?
C5 C6 Ge1 124.2(2) . . ?
C1 C6 Ge1 118.5(2) . . ?
C1 C6 C5 117.4(3) . . ?
C8 C9 C17 120.2(3) . . ?
C10 C9 C8 117.6(3) . . ?
C10 C9 C17 122.2(3) . . ?
C4 C5 C6 122.8(3) . . ?
C4 C5 H5 118.6 . . ?
C6 C5 H5 118.6 . . ?
C27 C32 N2 124.7(3) . . ?
C31 C32 N2 116.0(3) . . ?
C31 C32 C27 119.3(3) . . ?
C8 C7 Ge1 123.5(2) . . ?
C8 C7 C12 117.6(3) . . ?
C12 C7 Ge1 118.7(2) . . ?
C7 C12 N1 122.3(3) . . ?
C11 C12 N1 117.1(3) . . ?
C11 C12 C7 120.6(3) . . ?
C26 C25 H25 117.9 . . ?
C26 C25 C24 124.2(3) . . ?
C24 C25 H25 117.9 . . ?
C9 C10 H10 119.4 . . ?
C11 C10 C9 121.1(3) . . ?
C11 C10 H10 119.4 . . ?
C4 C3 H3 118.8 . . ?
C2 C3 C4 122.5(3) . . ?
C2 C3 H3 118.8 . . ?
C6 C1 N1 122.5(3) . . ?
C2 C1 N1 116.7(3) . . ?
C2 C1 C6 120.7(3) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 C21 120.9(3) . . ?
C23 C22 H22 119.5 . . ?
C3 C2 C1 119.5(3) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C27 C28 H28 118.2 . . ?
C27 C28 C29 123.5(3) . . ?
C29 C28 H28 118.2 . . ?
C12 C11 C10 120.4(3) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C32 C31 H31 119.8 . . ?
C30 C31 C32 120.4(3) . . ?
C30 C31 H31 119.8 . . ?
C22 C23 H23 118.9 . . ?
C22 C23 C24 122.2(3) . . ?
C24 C23 H23 118.9 . . ?
C25 C24 C33 120.8(3) . . ?
C23 C24 C25 116.0(3) . . ?
C23 C24 C33 123.2(3) . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
C28 C29 C37 121.8(3) . . ?
C30 C29 C28 116.0(3) . . ?
C30 C29 C37 122.1(3) . . ?
C9 C17 C20 109.0(3) . . ?
C19 C17 C9 112.0(3) . . ?
C19 C17 C20 108.2(3) . . ?
C18 C17 C9 110.1(3) . . ?
C18 C17 C19 108.8(4) . . ?
C18 C17 C20 108.7(3) . . ?
C4 C13 C15 108.6(3) . . ?
C4 C13 C14A 106.2(6) . . ?
C14 C13 C4 114.4(3) . . ?
C14 C13 C15 106.4(4) . . ?
C14 C13 C16 110.4(5) . . ?
C16 C13 C4 108.9(4) . . ?
C16 C13 C15 107.8(4) . . ?
C16A C13 C4 113.0(8) . . ?
C16A C13 C14A 104.6(12) . . ?
C15A C13 C4 107.5(7) . . ?
C15A C13 C14A 107.5(11) . . ?
C15A C13 C16A 117.4(13) . . ?
C29 C37 C40 108.3(3) . . ?
C29 C37 C38 112.5(3) . . ?
C29 C37 C39A 103.9(12) . . ?
C40 C37 C38 107.0(3) . . ?
C40 C37 C39A 130(2) . . ?
C39 C37 C29 113.8(6) . . ?
C39 C37 C40 99.6(11) . . ?
C39 C37 C38 114.4(8) . . ?
C38 C37 C39A 93.9(17) . . ?
C24 C33 C36 109.6(3) . . ?
C24 C33 C35 108.9(3) . . ?
C24 C33 C34 113.1(3) . . ?
C36 C33 C35 109.5(3) . . ?
C36 C33 C34 108.0(3) . . ?
C34 C33 C35 107.7(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C31 C30 C29 122.8(3) . . ?
C31 C30 H30 118.6 . . ?
C29 C30 H30 118.6 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C13 C14A H14D 109.5 . . ?
C13 C14A H14E 109.5 . . ?
C13 C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C13 C16A H16D 109.5 . . ?
C13 C16A H16E 109.5 . . ?
C13 C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C13 C15A H15D 109.5 . . ?
C13 C15A H15E 109.5 . . ?
C13 C15A H15F 109.5 . . ?
H15D C15A H15E 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
C37 C39A H39D 109.5 . . ?
C37 C39A H39E 109.5 . . ?
C37 C39A H39F 109.5 . . ?
H39D C39A H39E 109.5 . . ?
H39D C39A H39F 109.5 . . ?
H39E C39A H39F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ge1 C26 C21 N2 1.5(4) . . . . ?
Ge1 C26 C21 C22 179.6(2) . . . . ?
Ge1 C26 C25 C24 -178.2(2) . . . . ?
Ge1 C27 C32 N2 1.0(4) . . . . ?
Ge1 C27 C32 C31 180.0(2) . . . . ?
Ge1 C27 C28 C29 -178.7(2) . . . . ?
Ge1 C6 C5 C4 179.6(2) . . . . ?
Ge1 C6 C1 N1 -2.9(4) . . . . ?
Ge1 C6 C1 C2 178.0(2) . . . . ?
Ge1 C7 C12 N1 -2.8(4) . . . . ?
Ge1 C7 C12 C11 176.4(2) . . . . ?
O1 N1 C12 C7 -158.2(3) . . . . ?
O1 N1 C12 C11 22.5(4) . . . . ?
O1 N1 C1 C6 161.7(3) . . . . ?
O1 N1 C1 C2 -19.3(4) . . . . ?
N1 C12 C11 C10 177.3(3) . . . . ?
N1 C1 C2 C3 -176.5(3) . . . . ?
O2 N2 C21 C26 172.4(3) . . . . ?
O2 N2 C21 C22 -5.8(4) . . . . ?
O2 N2 C32 C27 -173.8(3) . . . . ?
O2 N2 C32 C31 7.2(4) . . . . ?
N2 C21 C22 C23 176.1(3) . . . . ?
N2 C32 C31 C30 177.6(3) . . . . ?
C26 C21 C22 C23 -2.1(5) . . . . ?
C26 C25 C24 C23 -0.6(4) . . . . ?
C26 C25 C24 C33 176.9(3) . . . . ?
C21 N2 C32 C27 7.7(5) . . . . ?
C21 N2 C32 C31 -171.3(3) . . . . ?
C21 C26 C25 C24 -0.9(4) . . . . ?
C21 C22 C23 C24 0.6(5) . . . . ?
C4 C3 C2 C1 0.1(5) . . . . ?
C27 C32 C31 C30 -1.4(5) . . . . ?
C27 C28 C29 C37 175.8(3) . . . . ?
C27 C28 C29 C30 -1.1(5) . . . . ?
C8 C9 C10 C11 0.8(5) . . . . ?
C8 C9 C17 C19 -173.8(3) . . . . ?
C8 C9 C17 C18 -52.6(4) . . . . ?
C8 C9 C17 C20 66.6(4) . . . . ?
C8 C7 C12 N1 -177.7(3) . . . . ?
C8 C7 C12 C11 1.6(4) . . . . ?
C6 C1 C2 C3 2.5(5) . . . . ?
C9 C8 C7 Ge1 -174.5(2) . . . . ?
C9 C8 C7 C12 0.0(5) . . . . ?
C9 C10 C11 C12 0.8(5) . . . . ?
C5 C4 C3 C2 -2.3(5) . . . . ?
C5 C4 C13 C14 4.6(6) . . . . ?
C5 C4 C13 C15 123.3(4) . . . . ?
C5 C4 C13 C16 -119.5(5) . . . . ?
C5 C4 C13 C14A -52.0(9) . . . . ?
C5 C4 C13 C16A -166.1(12) . . . . ?
C5 C4 C13 C15A 62.8(11) . . . . ?
C5 C6 C1 N1 176.2(3) . . . . ?
C5 C6 C1 C2 -2.8(4) . . . . ?
C32 N2 C21 C26 -9.1(5) . . . . ?
C32 N2 C21 C22 172.7(3) . . . . ?
C32 C27 C28 C29 0.1(5) . . . . ?
C32 C31 C30 C29 0.4(5) . . . . ?
C7 C8 C9 C10 -1.2(5) . . . . ?
C7 C8 C9 C17 178.3(3) . . . . ?
C7 C12 C11 C10 -2.0(5) . . . . ?
C12 N1 C1 C6 -35.9(4) . . . . ?
C12 N1 C1 C2 143.1(3) . . . . ?
C25 C26 C21 N2 -175.9(3) . . . . ?
C25 C26 C21 C22 2.2(4) . . . . ?
C25 C24 C33 C36 56.7(4) . . . . ?
C25 C24 C33 C35 -63.1(4) . . . . ?
C25 C24 C33 C34 177.2(3) . . . . ?
C10 C9 C17 C19 5.7(5) . . . . ?
C10 C9 C17 C18 126.9(4) . . . . ?
C10 C9 C17 C20 -113.9(4) . . . . ?
C3 C4 C5 C6 1.9(5) . . . . ?
C3 C4 C13 C14 -174.9(4) . . . . ?
C3 C4 C13 C15 -56.1(5) . . . . ?
C3 C4 C13 C16 61.0(5) . . . . ?
C3 C4 C13 C14A 128.5(8) . . . . ?
C3 C4 C13 C16A 14.4(13) . . . . ?
C3 C4 C13 C15A -116.7(10) . . . . ?
C1 N1 C12 C7 39.3(4) . . . . ?
C1 N1 C12 C11 -140.0(3) . . . . ?
C1 C6 C5 C4 0.6(4) . . . . ?
C22 C23 C24 C25 0.8(5) . . . . ?
C22 C23 C24 C33 -176.7(3) . . . . ?
C28 C27 C32 N2 -177.8(3) . . . . ?
C28 C27 C32 C31 1.1(4) . . . . ?
C28 C29 C37 C40 -68.2(4) . . . . ?
C28 C29 C37 C39 41.6(12) . . . . ?
C28 C29 C37 C38 173.7(3) . . . . ?
C28 C29 C37 C39A 73(2) . . . . ?
C28 C29 C30 C31 0.8(5) . . . . ?
C23 C24 C33 C36 -125.9(3) . . . . ?
C23 C24 C33 C35 114.3(3) . . . . ?
C23 C24 C33 C34 -5.4(5) . . . . ?
C17 C9 C10 C11 -178.7(3) . . . . ?
C13 C4 C5 C6 -177.6(3) . . . . ?
C13 C4 C3 C2 177.2(3) . . . . ?
C37 C29 C30 C31 -176.1(3) . . . . ?
C30 C29 C37 C40 108.6(4) . . . . ?
C30 C29 C37 C39 -141.7(12) . . . . ?
C30 C29 C37 C38 -9.5(5) . . . . ?
C30 C29 C37 C39A -110(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
