# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_compound-2
_database_code_depnum_ccdc_archive 'CCDC 2242325'
loop_
_audit_author_name
_audit_author_address
'Jamie Hicks'
;Australian National University
Australia
;
_audit_update_record             
;
2023-02-16 deposited with the CCDC.	2023-05-16 downloaded from the CCDC.
;
_audit_creation_date             2023-02-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H108 Ge3 N6'
_chemical_formula_sum            'C60 H108 Ge3 N6'
_chemical_formula_weight         1131.29
_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 0.0181 0.0091 '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 -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.4003(2)
_cell_length_b                   14.5568(2)
_cell_length_c                   29.3234(3)
_cell_angle_alpha                90
_cell_angle_beta                 105.1050(10)
_cell_angle_gamma                90
_cell_volume                     6346.57(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    22741
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      76.2970
_cell_measurement_theta_min      2.9750
_shelx_estimated_absorpt_T_max   0.843
_shelx_estimated_absorpt_T_min   0.719
_exptl_absorpt_coefficient_mu    1.958
_exptl_absorpt_correction_T_min  0.90973
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2424
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            51734
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.686
_diffrn_reflns_theta_min         2.975
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector_area_resol_mean 10.5035
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11645
_reflns_number_total             13268
_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_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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         0.337
_refine_diff_density_min         -0.236
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     655
_refine_ls_number_reflns         13268
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0257
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0304P)²+1.8235P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0658
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All Ge(H) groups, All Ge(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C9(H9), C12(H12), C15(H15), C18(H18), C29(H29), C32(H32), C35(H35), C38(H38),
 C49(H49), C52(H52), C55(H55), C58(H58)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C27(H27A,H27B), C28(H28A,H28B), C47(H47A,H47B),
 C48(H48A,H48B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C23(H23), C24(H24), C25(H25), C43(H43), C44(H44),
 C45(H45)
2.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C13(H13A,H13B,H13C), C14(H14A,H14B,
 H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,H19B,H19C), C20(H20A,
 H20B,H20C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C33(H33A,H33B,H33C),
 C34(H34A,H34B,H34C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C39(H39A,H39B,
 H39C), C40(H40A,H40B,H40C), C50(H50A,H50B,H50C), C51(H51A,H51B,H51C), C53(H53A,
 H53B,H53C), C54(H54A,H54B,H54C), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C),
 C59(H59A,H59B,H59C), C60(H60A,H60B,H60C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.82037(2) 0.71444(2) 0.40384(2) 0.01950(4) Uani 1 1 d . . . . .
Ge2 Ge 0.68255(2) 0.63362(2) 0.35402(2) 0.01714(4) Uani 1 1 d . . . . .
H2 H 0.6361(12) 0.6917(12) 0.3153(6) 0.021 Uiso 1 1 d . U . . .
Ge3 Ge 0.67983(2) 0.49392(2) 0.30812(2) 0.01745(4) Uani 1 1 d . . . . .
H3A H 0.7024(12) 0.4100(13) 0.3366(6) 0.021 Uiso 1 1 d . U . . .
H3B H 0.7468(12) 0.4996(12) 0.2826(6) 0.021 Uiso 1 1 d . U . . .
N1 N 0.87837(8) 0.74842(9) 0.34615(4) 0.0208(2) Uani 1 1 d . . . . .
N2 N 0.71929(10) 0.91658(10) 0.49206(4) 0.0263(3) Uani 1 1 d . . . . .
N3 N 0.39102(9) 0.75072(9) 0.34321(5) 0.0257(3) Uani 1 1 d . . . . .
N4 N 0.75716(9) 0.47425(9) 0.49220(4) 0.0213(2) Uani 1 1 d . . . . .
N5 N 0.57747(9) 0.66309(9) 0.17174(4) 0.0224(3) Uani 1 1 d . . . . .
N6 N 0.43417(9) 0.32780(9) 0.32460(4) 0.0232(3) Uani 1 1 d . . . . .
C1 C 0.74931(10) 0.82878(10) 0.38353(5) 0.0199(3) Uani 1 1 d . . . . .
C2 C 0.69666(10) 0.87474(10) 0.40850(5) 0.0219(3) Uani 1 1 d . . . . .
C3 C 0.64605(11) 0.95117(11) 0.38839(6) 0.0263(3) Uani 1 1 d . . . . .
H3 H 0.610369 0.982557 0.405412 0.032 Uiso 1 1 calc R U . . .
C4 C 0.64755(11) 0.98151(11) 0.34377(6) 0.0280(3) Uani 1 1 d . . . . .
H4 H 0.611478 1.032318 0.329949 0.034 Uiso 1 1 calc R U . . .
C5 C 0.70192(11) 0.93759(11) 0.31913(5) 0.0246(3) Uani 1 1 d . . . . .
H5 H 0.704039 0.959109 0.288856 0.030 Uiso 1 1 calc R U . . .
C6 C 0.75294(10) 0.86214(10) 0.33925(5) 0.0211(3) Uani 1 1 d . . . . .
C7 C 0.81138(10) 0.81082(11) 0.31371(5) 0.0229(3) Uani 1 1 d . . . . .
H7A H 0.844238 0.855664 0.299063 0.028 Uiso 1 1 calc R U . . .
H7B H 0.772597 0.773660 0.288089 0.028 Uiso 1 1 calc R U . . .
C8 C 0.69477(11) 0.84273(11) 0.45745(5) 0.0255(3) Uani 1 1 d . . . . .
H8A H 0.633670 0.820376 0.456641 0.031 Uiso 1 1 calc R U . . .
H8B H 0.737185 0.790880 0.467105 0.031 Uiso 1 1 calc R U . . .
C9 C 0.88907(11) 0.66223(11) 0.31826(5) 0.0257(3) Uani 1 1 d . . . . .
H9 H 0.826617 0.644803 0.300481 0.031 Uiso 1 1 calc R U . . .
C10 C 0.92665(12) 0.57800(12) 0.34804(6) 0.0329(4) Uani 1 1 d . . . . .
H10A H 0.910969 0.522418 0.328797 0.049 Uiso 1 1 calc R U . . .
H10B H 0.900852 0.574443 0.375216 0.049 Uiso 1 1 calc R U . . .
H10C H 0.992233 0.583137 0.359209 0.049 Uiso 1 1 calc R U . . .
C11 C 0.93938(13) 0.67997(14) 0.28038(6) 0.0364(4) Uani 1 1 d . . . . .
H11A H 1.003221 0.690507 0.295576 0.055 Uiso 1 1 calc R U . . .
H11B H 0.914029 0.734228 0.261871 0.055 Uiso 1 1 calc R U . . .
H11C H 0.933058 0.626496 0.259458 0.055 Uiso 1 1 calc R U . . .
C12 C 0.96647(10) 0.80135(11) 0.36458(6) 0.0255(3) Uani 1 1 d . . . . .
H12 H 0.987030 0.821544 0.336506 0.031 Uiso 1 1 calc R U . . .
C13 C 1.04186(12) 0.74357(13) 0.39570(7) 0.0371(4) Uani 1 1 d . . . . .
H13A H 1.092828 0.783369 0.410341 0.056 Uiso 1 1 calc R U . . .
H13B H 1.061219 0.696957 0.376326 0.056 Uiso 1 1 calc R U . . .
H13C H 1.019872 0.713340 0.420395 0.056 Uiso 1 1 calc R U . . .
C14 C 0.95340(12) 0.88735(12) 0.39154(6) 0.0298(3) Uani 1 1 d . . . . .
H14A H 0.935934 0.869773 0.420174 0.045 Uiso 1 1 calc R U . . .
H14B H 0.906080 0.925483 0.371540 0.045 Uiso 1 1 calc R U . . .
H14C H 1.009770 0.922181 0.400278 0.045 Uiso 1 1 calc R U . . .
C15 C 0.69627(14) 0.89729(14) 0.53698(6) 0.0384(4) Uani 1 1 d . . . . .
H15 H 0.733980 0.938977 0.561351 0.046 Uiso 1 1 calc R U . . .
C16 C 0.59888(18) 0.9233(2) 0.53207(9) 0.0624(7) Uani 1 1 d . . . . .
H16A H 0.588758 0.986730 0.520801 0.094 Uiso 1 1 calc R U . . .
H16B H 0.585441 0.917821 0.562837 0.094 Uiso 1 1 calc R U . . .
H16C H 0.559506 0.881986 0.509397 0.094 Uiso 1 1 calc R U . . .
C17 C 0.71476(18) 0.79901(16) 0.55562(7) 0.0515(6) Uani 1 1 d . . . . .
H17A H 0.671335 0.757079 0.535574 0.077 Uiso 1 1 calc R U . . .
H17B H 0.708932 0.795958 0.588075 0.077 Uiso 1 1 calc R U . . .
H17C H 0.775858 0.781092 0.555134 0.077 Uiso 1 1 calc R U . . .
C18 C 0.80898(13) 0.95502(13) 0.49618(6) 0.0332(4) Uani 1 1 d . . . . .
H18 H 0.815589 0.959575 0.463218 0.040 Uiso 1 1 calc R U . . .
C19 C 0.81385(19) 1.05349(16) 0.51489(8) 0.0566(6) Uani 1 1 d . . . . .
H19A H 0.762730 1.088807 0.496155 0.085 Uiso 1 1 calc R U . . .
H19B H 0.870113 1.082055 0.512489 0.085 Uiso 1 1 calc R U . . .
H19C H 0.811820 1.052706 0.548015 0.085 Uiso 1 1 calc R U . . .
C20 C 0.88866(15) 0.89826(18) 0.52368(8) 0.0525(6) Uani 1 1 d . . . . .
H20A H 0.889203 0.897315 0.557172 0.079 Uiso 1 1 calc R U . . .
H20B H 0.944691 0.925650 0.520167 0.079 Uiso 1 1 calc R U . . .
H20C H 0.883329 0.835331 0.511392 0.079 Uiso 1 1 calc R U . . .
C21 C 0.60535(9) 0.62237(10) 0.39866(5) 0.0179(3) Uani 1 1 d . . . . .
C22 C 0.63630(9) 0.56702(10) 0.43945(5) 0.0184(3) Uani 1 1 d . . . . .
C23 C 0.59143(10) 0.56813(11) 0.47500(5) 0.0231(3) Uani 1 1 d . . . . .
H23 H 0.612427 0.530726 0.502193 0.028 Uiso 1 1 calc R U . . .
C24 C 0.51644(11) 0.62324(12) 0.47110(5) 0.0263(3) Uani 1 1 d . . . . .
H24 H 0.487410 0.625062 0.495979 0.032 Uiso 1 1 calc R U . . .
C25 C 0.48398(10) 0.67561(11) 0.43087(5) 0.0257(3) Uani 1 1 d . . . . .
H25 H 0.431830 0.712296 0.428054 0.031 Uiso 1 1 calc R U . . .
C26 C 0.52690(10) 0.67527(10) 0.39427(5) 0.0210(3) Uani 1 1 d . . . . .
C27 C 0.48781(11) 0.73619(12) 0.35140(6) 0.0283(3) Uani 1 1 d . . . . .
H27A H 0.518682 0.796438 0.356149 0.034 Uiso 1 1 calc R U . . .
H27B H 0.499671 0.707423 0.323023 0.034 Uiso 1 1 calc R U . . .
C28 C 0.71501(10) 0.50144(10) 0.44389(5) 0.0212(3) Uani 1 1 d . . . . .
H28A H 0.693511 0.445731 0.424942 0.025 Uiso 1 1 calc R U . . .
H28B H 0.760651 0.531224 0.430494 0.025 Uiso 1 1 calc R U . . .
C29 C 0.33805(12) 0.67044(12) 0.32251(6) 0.0330(4) Uani 1 1 d . . . . .
H29 H 0.371453 0.615617 0.338717 0.040 Uiso 1 1 calc R U . . .
C30 C 0.24690(14) 0.66974(16) 0.33405(9) 0.0505(5) Uani 1 1 d . . . . .
H30A H 0.255717 0.678508 0.368092 0.076 Uiso 1 1 calc R U . . .
H30B H 0.217044 0.610713 0.324572 0.076 Uiso 1 1 calc R U . . .
H30C H 0.209442 0.719558 0.316896 0.076 Uiso 1 1 calc R U . . .
C31 C 0.32672(17) 0.65565(16) 0.26950(7) 0.0517(5) Uani 1 1 d . . . . .
H31A H 0.290310 0.705506 0.251722 0.078 Uiso 1 1 calc R U . . .
H31B H 0.296640 0.596761 0.259932 0.078 Uiso 1 1 calc R U . . .
H31C H 0.385963 0.655236 0.262959 0.078 Uiso 1 1 calc R U . . .
C32 C 0.35829(11) 0.84110(12) 0.32363(6) 0.0318(4) Uani 1 1 d . . . . .
H32 H 0.292439 0.834538 0.308477 0.038 Uiso 1 1 calc R U . . .
C33 C 0.40130(13) 0.87940(14) 0.28590(7) 0.0425(5) Uani 1 1 d . . . . .
H33A H 0.464243 0.895280 0.300539 0.064 Uiso 1 1 calc R U . . .
H33B H 0.368606 0.934457 0.271678 0.064 Uiso 1 1 calc R U . . .
H33C H 0.398529 0.832908 0.261386 0.064 Uiso 1 1 calc R U . . .
C34 C 0.36828(15) 0.90981(15) 0.36397(8) 0.0490(5) Uani 1 1 d . . . . .
H34A H 0.335258 0.887541 0.386176 0.074 Uiso 1 1 calc R U . . .
H34B H 0.343928 0.969425 0.351213 0.074 Uiso 1 1 calc R U . . .
H34C H 0.432060 0.916601 0.380418 0.074 Uiso 1 1 calc R U . . .
C35 C 0.80978(11) 0.54759(12) 0.52103(6) 0.0278(3) Uani 1 1 d . . . . .
H35 H 0.777834 0.606547 0.510028 0.033 Uiso 1 1 calc R U . . .
C36 C 0.90634(12) 0.55922(14) 0.51715(7) 0.0364(4) Uani 1 1 d . . . . .
H36A H 0.942394 0.506186 0.531541 0.055 Uiso 1 1 calc R U . . .
H36B H 0.932179 0.615401 0.533626 0.055 Uiso 1 1 calc R U . . .
H36C H 0.906289 0.563534 0.483789 0.055 Uiso 1 1 calc R U . . .
C37 C 0.80926(14) 0.53581(18) 0.57265(6) 0.0477(5) Uani 1 1 d . . . . .
H37A H 0.747078 0.530295 0.574876 0.072 Uiso 1 1 calc R U . . .
H37B H 0.837597 0.589346 0.590816 0.072 Uiso 1 1 calc R U . . .
H37C H 0.842770 0.480228 0.585411 0.072 Uiso 1 1 calc R U . . .
C38 C 0.79771(12) 0.38227(12) 0.49834(6) 0.0329(4) Uani 1 1 d . . . . .
H38 H 0.842717 0.382005 0.529838 0.039 Uiso 1 1 calc R U . . .
C39 C 0.72600(18) 0.31189(15) 0.50103(10) 0.0611(7) Uani 1 1 d . . . . .
H39A H 0.698825 0.328546 0.526617 0.092 Uiso 1 1 calc R U . . .
H39B H 0.753587 0.250938 0.507219 0.092 Uiso 1 1 calc R U . . .
H39C H 0.679472 0.310910 0.471001 0.092 Uiso 1 1 calc R U . . .
C40 C 0.84845(15) 0.35486(16) 0.46187(8) 0.0498(6) Uani 1 1 d . . . . .
H40A H 0.805259 0.343042 0.431407 0.075 Uiso 1 1 calc R U . . .
H40B H 0.883677 0.299185 0.472529 0.075 Uiso 1 1 calc R U . . .
H40C H 0.888866 0.404826 0.458363 0.075 Uiso 1 1 calc R U . . .
C41 C 0.56344(10) 0.47851(10) 0.26079(5) 0.0189(3) Uani 1 1 d . . . . .
C42 C 0.49821(10) 0.41742(10) 0.26879(5) 0.0217(3) Uani 1 1 d . . . . .
C43 C 0.41692(11) 0.40611(11) 0.23442(5) 0.0262(3) Uani 1 1 d . . . . .
H43 H 0.373484 0.363813 0.239596 0.031 Uiso 1 1 calc R U . . .
C44 C 0.39927(11) 0.45627(12) 0.19280(5) 0.0272(3) Uani 1 1 d . . . . .
H44 H 0.343865 0.448143 0.169587 0.033 Uiso 1 1 calc R U . . .
C45 C 0.46218(11) 0.51819(11) 0.18496(5) 0.0243(3) Uani 1 1 d . . . . .
H45 H 0.449217 0.553082 0.156607 0.029 Uiso 1 1 calc R U . . .
C46 C 0.54455(10) 0.52970(10) 0.21845(5) 0.0200(3) Uani 1 1 d . . . . .
C47 C 0.61439(10) 0.59516(10) 0.20819(5) 0.0217(3) Uani 1 1 d . . . . .
H47A H 0.644580 0.627686 0.237715 0.026 Uiso 1 1 calc R U . . .
H47B H 0.660607 0.558717 0.198289 0.026 Uiso 1 1 calc R U . . .
C48 C 0.51576(10) 0.36299(11) 0.31467(5) 0.0245(3) Uani 1 1 d . . . . .
H48A H 0.555978 0.310774 0.312965 0.029 Uiso 1 1 calc R U . . .
H48B H 0.547358 0.402967 0.341116 0.029 Uiso 1 1 calc R U . . .
C49 C 0.52598(11) 0.73574(11) 0.18817(6) 0.0272(3) Uani 1 1 d . . . . .
H49 H 0.493883 0.705328 0.209667 0.033 Uiso 1 1 calc R U . . .
C50 C 0.45332(15) 0.77424(16) 0.14669(7) 0.0471(5) Uani 1 1 d . . . . .
H50A H 0.481749 0.806189 0.124936 0.071 Uiso 1 1 calc R U . . .
H50B H 0.415476 0.817443 0.158505 0.071 Uiso 1 1 calc R U . . .
H50C H 0.416139 0.723775 0.130026 0.071 Uiso 1 1 calc R U . . .
C51 C 0.58126(13) 0.81368(12) 0.21642(6) 0.0347(4) Uani 1 1 d . . . . .
H51A H 0.625924 0.788152 0.243593 0.052 Uiso 1 1 calc R U . . .
H51B H 0.541337 0.855540 0.227557 0.052 Uiso 1 1 calc R U . . .
H51C H 0.611993 0.847387 0.196257 0.052 Uiso 1 1 calc R U . . .
C52 C 0.64114(11) 0.69430(11) 0.14500(5) 0.0257(3) Uani 1 1 d . . . . .
H52 H 0.617717 0.753927 0.129720 0.031 Uiso 1 1 calc R U . . .
C53 C 0.73779(12) 0.71155(12) 0.17424(6) 0.0317(4) Uani 1 1 d . . . . .
H53A H 0.737238 0.753966 0.200116 0.048 Uiso 1 1 calc R U . . .
H53B H 0.772720 0.738471 0.154025 0.048 Uiso 1 1 calc R U . . .
H53C H 0.765215 0.653261 0.187271 0.048 Uiso 1 1 calc R U . . .
C54 C 0.64186(13) 0.62651(13) 0.10533(6) 0.0339(4) Uani 1 1 d . . . . .
H54A H 0.665399 0.567234 0.118966 0.051 Uiso 1 1 calc R U . . .
H54B H 0.680175 0.650430 0.086108 0.051 Uiso 1 1 calc R U . . .
H54C H 0.580458 0.618386 0.085462 0.051 Uiso 1 1 calc R U . . .
C55 C 0.38247(11) 0.40100(11) 0.34030(5) 0.0265(3) Uani 1 1 d . . . . .
H55 H 0.387490 0.456551 0.321087 0.032 Uiso 1 1 calc R U . . .
C56 C 0.41656(13) 0.42984(14) 0.39221(6) 0.0374(4) Uani 1 1 d . . . . .
H56A H 0.407780 0.379209 0.412588 0.056 Uiso 1 1 calc R U . . .
H56B H 0.382975 0.483811 0.398063 0.056 Uiso 1 1 calc R U . . .
H56C H 0.480692 0.444914 0.399160 0.056 Uiso 1 1 calc R U . . .
C57 C 0.28306(12) 0.37628(14) 0.32825(6) 0.0341(4) Uani 1 1 d . . . . .
H57A H 0.262663 0.359145 0.294842 0.051 Uiso 1 1 calc R U . . .
H57B H 0.248455 0.429310 0.334290 0.051 Uiso 1 1 calc R U . . .
H57C H 0.274060 0.324475 0.347869 0.051 Uiso 1 1 calc R U . . .
C58 C 0.44568(12) 0.24157(12) 0.35178(6) 0.0316(4) Uani 1 1 d . . . . .
H58 H 0.392869 0.235904 0.365484 0.038 Uiso 1 1 calc R U . . .
C59 C 0.44146(16) 0.16074(13) 0.31841(9) 0.0476(5) Uani 1 1 d . . . . .
H59A H 0.384395 0.162350 0.293895 0.071 Uiso 1 1 calc R U . . .
H59B H 0.445693 0.103182 0.336191 0.071 Uiso 1 1 calc R U . . .
H59C H 0.491568 0.164608 0.303643 0.071 Uiso 1 1 calc R U . . .
C60 C 0.53051(15) 0.23540(18) 0.39311(7) 0.0507(6) Uani 1 1 d . . . . .
H60A H 0.583896 0.234368 0.380822 0.076 Uiso 1 1 calc R U . . .
H60B H 0.528437 0.179066 0.411100 0.076 Uiso 1 1 calc R U . . .
H60C H 0.533342 0.288814 0.413789 0.076 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 Ge2 2.5312(2) . ?
Ge1 N1 2.1661(12) . ?
Ge1 C1 1.9957(15) . ?
Ge2 H2 1.447(17) . ?
Ge2 Ge3 2.4330(2) . ?
Ge2 C21 1.9911(14) . ?
Ge3 H3A 1.468(18) . ?
Ge3 H3B 1.425(18) . ?
Ge3 C41 1.9730(14) . ?
N1 C7 1.5109(19) . ?
N1 C9 1.5297(19) . ?
N1 C12 1.5311(18) . ?
N2 C8 1.4590(19) . ?
N2 C15 1.477(2) . ?
N2 C18 1.466(2) . ?
N3 C27 1.4622(19) . ?
N3 C29 1.463(2) . ?
N3 C32 1.471(2) . ?
N4 C28 1.4512(17) . ?
N4 C35 1.468(2) . ?
N4 C38 1.469(2) . ?
N5 C47 1.4583(18) . ?
N5 C49 1.476(2) . ?
N5 C52 1.4778(19) . ?
N6 C48 1.4550(18) . ?
N6 C55 1.474(2) . ?
N6 C58 1.4726(19) . ?
C1 C2 1.397(2) . ?
C1 C6 1.401(2) . ?
C2 C3 1.398(2) . ?
C2 C8 1.517(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.387(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.395(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.389(2) . ?
C6 C7 1.510(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9 1.0000 . ?
C9 C10 1.529(2) . ?
C9 C11 1.533(2) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12 1.0000 . ?
C12 C13 1.529(2) . ?
C12 C14 1.522(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15 1.0000 . ?
C15 C16 1.517(3) . ?
C15 C17 1.532(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18 1.0000 . ?
C18 C19 1.530(3) . ?
C18 C20 1.524(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.4177(19) . ?
C21 C26 1.4100(19) . ?
C22 C23 1.393(2) . ?
C22 C28 1.5216(19) . ?
C23 H23 0.9500 . ?
C23 C24 1.386(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.384(2) . ?
C25 H25 0.9500 . ?
C25 C26 1.399(2) . ?
C26 C27 1.528(2) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29 1.0000 . ?
C29 C30 1.527(3) . ?
C29 C31 1.534(3) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32 1.0000 . ?
C32 C33 1.535(3) . ?
C32 C34 1.526(3) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35 1.0000 . ?
C35 C36 1.530(2) . ?
C35 C37 1.525(2) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38 1.0000 . ?
C38 C39 1.523(3) . ?
C38 C40 1.533(3) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.406(2) . ?
C41 C46 1.4116(19) . ?
C42 C43 1.397(2) . ?
C42 C48 1.5236(19) . ?
C43 H43 0.9500 . ?
C43 C44 1.387(2) . ?
C44 H44 0.9500 . ?
C44 C45 1.386(2) . ?
C45 H45 0.9500 . ?
C45 C46 1.397(2) . ?
C46 C47 1.524(2) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 H49 1.0000 . ?
C49 C50 1.529(2) . ?
C49 C51 1.527(2) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52 1.0000 . ?
C52 C53 1.532(2) . ?
C52 C54 1.528(2) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55 1.0000 . ?
C55 C56 1.534(2) . ?
C55 C57 1.522(2) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58 1.0000 . ?
C58 C59 1.521(3) . ?
C58 C60 1.536(3) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ge1 Ge2 96.30(3) . . ?
C1 Ge1 Ge2 84.45(4) . . ?
C1 Ge1 N1 83.23(5) . . ?
Ge1 Ge2 H2 110.5(7) . . ?
Ge3 Ge2 Ge1 126.780(9) . . ?
Ge3 Ge2 H2 96.9(7) . . ?
C21 Ge2 Ge1 102.32(4) . . ?
C21 Ge2 H2 107.8(7) . . ?
C21 Ge2 Ge3 111.58(4) . . ?
Ge2 Ge3 H3A 114.4(7) . . ?
Ge2 Ge3 H3B 109.4(7) . . ?
H3A Ge3 H3B 104.4(10) . . ?
C41 Ge3 Ge2 111.45(4) . . ?
C41 Ge3 H3A 110.0(7) . . ?
C41 Ge3 H3B 106.6(7) . . ?
C7 N1 Ge1 106.02(9) . . ?
C7 N1 C9 107.92(11) . . ?
C7 N1 C12 108.45(12) . . ?
C9 N1 Ge1 110.73(9) . . ?
C9 N1 C12 113.10(12) . . ?
C12 N1 Ge1 110.31(9) . . ?
C8 N2 C15 113.66(13) . . ?
C8 N2 C18 113.96(13) . . ?
C18 N2 C15 116.04(13) . . ?
C27 N3 C29 112.76(14) . . ?
C27 N3 C32 115.12(13) . . ?
C29 N3 C32 117.07(13) . . ?
C28 N4 C35 113.78(12) . . ?
C28 N4 C38 115.85(12) . . ?
C35 N4 C38 116.06(13) . . ?
C47 N5 C49 112.75(12) . . ?
C47 N5 C52 114.30(12) . . ?
C49 N5 C52 116.11(12) . . ?
C48 N6 C55 111.89(13) . . ?
C48 N6 C58 114.84(13) . . ?
C58 N6 C55 116.48(12) . . ?
C2 C1 Ge1 126.23(11) . . ?
C2 C1 C6 119.25(14) . . ?
C6 C1 Ge1 114.49(11) . . ?
C1 C2 C3 119.75(14) . . ?
C1 C2 C8 120.40(14) . . ?
C3 C2 C8 119.84(14) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.46(15) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.16(15) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 120.3 . . ?
C6 C5 C4 119.45(14) . . ?
C6 C5 H5 120.3 . . ?
C1 C6 C7 117.45(13) . . ?
C5 C6 C1 120.86(14) . . ?
C5 C6 C7 121.65(13) . . ?
N1 C7 H7A 109.1 . . ?
N1 C7 H7B 109.1 . . ?
C6 C7 N1 112.50(11) . . ?
C6 C7 H7A 109.1 . . ?
C6 C7 H7B 109.1 . . ?
H7A C7 H7B 107.8 . . ?
N2 C8 C2 111.51(13) . . ?
N2 C8 H8A 109.3 . . ?
N2 C8 H8B 109.3 . . ?
C2 C8 H8A 109.3 . . ?
C2 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
N1 C9 H9 105.3 . . ?
N1 C9 C11 113.24(13) . . ?
C10 C9 N1 115.46(13) . . ?
C10 C9 H9 105.3 . . ?
C10 C9 C11 111.19(14) . . ?
C11 C9 H9 105.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 H12 107.4 . . ?
C13 C12 N1 113.53(13) . . ?
C13 C12 H12 107.4 . . ?
C14 C12 N1 111.86(13) . . ?
C14 C12 H12 107.4 . . ?
C14 C12 C13 108.97(14) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 H15 107.0 . . ?
N2 C15 C16 109.22(17) . . ?
N2 C15 C17 115.48(16) . . ?
C16 C15 H15 107.0 . . ?
C16 C15 C17 110.7(2) . . ?
C17 C15 H15 107.0 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 H18 106.1 . . ?
N2 C18 C19 110.14(17) . . ?
N2 C18 C20 116.62(16) . . ?
C19 C18 H18 106.1 . . ?
C20 C18 H18 106.1 . . ?
C20 C18 C19 111.14(18) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 Ge2 118.31(10) . . ?
C26 C21 Ge2 122.63(10) . . ?
C26 C21 C22 118.63(13) . . ?
C21 C22 C28 120.92(12) . . ?
C23 C22 C21 120.10(13) . . ?
C23 C22 C28 118.87(13) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.68(14) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.80(14) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 119.5 . . ?
C24 C25 C26 120.93(14) . . ?
C26 C25 H25 119.5 . . ?
C21 C26 C27 122.45(13) . . ?
C25 C26 C21 119.77(13) . . ?
C25 C26 C27 117.73(14) . . ?
N3 C27 C26 112.66(13) . . ?
N3 C27 H27A 109.1 . . ?
N3 C27 H27B 109.1 . . ?
C26 C27 H27A 109.1 . . ?
C26 C27 H27B 109.1 . . ?
H27A C27 H27B 107.8 . . ?
N4 C28 C22 113.47(12) . . ?
N4 C28 H28A 108.9 . . ?
N4 C28 H28B 108.9 . . ?
C22 C28 H28A 108.9 . . ?
C22 C28 H28B 108.9 . . ?
H28A C28 H28B 107.7 . . ?
N3 C29 H29 106.1 . . ?
N3 C29 C30 111.02(16) . . ?
N3 C29 C31 115.87(16) . . ?
C30 C29 H29 106.1 . . ?
C30 C29 C31 110.81(17) . . ?
C31 C29 H29 106.1 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N3 C32 H32 107.0 . . ?
N3 C32 C33 115.97(15) . . ?
N3 C32 C34 109.18(15) . . ?
C33 C32 H32 107.0 . . ?
C34 C32 H32 107.0 . . ?
C34 C32 C33 110.21(17) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N4 C35 H35 106.7 . . ?
N4 C35 C36 116.05(14) . . ?
N4 C35 C37 110.17(15) . . ?
C36 C35 H35 106.7 . . ?
C37 C35 H35 106.7 . . ?
C37 C35 C36 110.05(14) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N4 C38 H38 106.7 . . ?
N4 C38 C39 109.19(16) . . ?
N4 C38 C40 115.45(15) . . ?
C39 C38 H38 106.7 . . ?
C39 C38 C40 111.68(19) . . ?
C40 C38 H38 106.7 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 Ge3 120.80(10) . . ?
C42 C41 C46 119.21(13) . . ?
C46 C41 Ge3 119.99(11) . . ?
C41 C42 C48 120.40(13) . . ?
C43 C42 C41 119.93(13) . . ?
C43 C42 C48 119.67(14) . . ?
C42 C43 H43 119.8 . . ?
C44 C43 C42 120.40(14) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 119.9 . . ?
C45 C44 C43 120.21(14) . . ?
C45 C44 H44 119.9 . . ?
C44 C45 H45 119.8 . . ?
C44 C45 C46 120.49(14) . . ?
C46 C45 H45 119.8 . . ?
C41 C46 C47 120.61(13) . . ?
C45 C46 C41 119.74(14) . . ?
C45 C46 C47 119.61(13) . . ?
N5 C47 C46 114.09(12) . . ?
N5 C47 H47A 108.7 . . ?
N5 C47 H47B 108.7 . . ?
C46 C47 H47A 108.7 . . ?
C46 C47 H47B 108.7 . . ?
H47A C47 H47B 107.6 . . ?
N6 C48 C42 113.34(13) . . ?
N6 C48 H48A 108.9 . . ?
N6 C48 H48B 108.9 . . ?
C42 C48 H48A 108.9 . . ?
C42 C48 H48B 108.9 . . ?
H48A C48 H48B 107.7 . . ?
N5 C49 H49 106.5 . . ?
N5 C49 C50 110.31(14) . . ?
N5 C49 C51 116.02(14) . . ?
C50 C49 H49 106.5 . . ?
C51 C49 H49 106.5 . . ?
C51 C49 C50 110.39(15) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
N5 C52 H52 107.0 . . ?
N5 C52 C53 115.82(13) . . ?
N5 C52 C54 110.05(13) . . ?
C53 C52 H52 107.0 . . ?
C54 C52 H52 107.0 . . ?
C54 C52 C53 109.46(14) . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
N6 C55 H55 106.3 . . ?
N6 C55 C56 115.77(14) . . ?
N6 C55 C57 110.43(13) . . ?
C56 C55 H55 106.3 . . ?
C57 C55 H55 106.3 . . ?
C57 C55 C56 111.01(14) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N6 C58 H58 107.0 . . ?
N6 C58 C59 109.40(14) . . ?
N6 C58 C60 115.77(15) . . ?
C59 C58 H58 107.0 . . ?
C59 C58 C60 110.33(17) . . ?
C60 C58 H58 107.0 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 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 N1 C7 C6 25.67(14) . . . . ?
Ge1 N1 C9 C10 -43.78(15) . . . . ?
Ge1 N1 C9 C11 -173.58(11) . . . . ?
Ge1 N1 C12 C13 67.65(15) . . . . ?
Ge1 N1 C12 C14 -56.18(14) . . . . ?
Ge1 C1 C2 C3 -176.03(11) . . . . ?
Ge1 C1 C2 C8 4.5(2) . . . . ?
Ge1 C1 C6 C5 175.59(11) . . . . ?
Ge1 C1 C6 C7 -2.12(17) . . . . ?
Ge2 C21 C22 C23 170.36(11) . . . . ?
Ge2 C21 C22 C28 -13.38(18) . . . . ?
Ge2 C21 C26 C25 -169.32(12) . . . . ?
Ge2 C21 C26 C27 8.3(2) . . . . ?
Ge3 C41 C42 C43 -178.72(12) . . . . ?
Ge3 C41 C42 C48 0.99(19) . . . . ?
Ge3 C41 C46 C45 179.70(11) . . . . ?
Ge3 C41 C46 C47 1.71(19) . . . . ?
C1 C2 C3 C4 0.2(2) . . . . ?
C1 C2 C8 N2 124.26(15) . . . . ?
C1 C6 C7 N1 -17.32(19) . . . . ?
C2 C1 C6 C5 -2.9(2) . . . . ?
C2 C1 C6 C7 179.44(13) . . . . ?
C2 C3 C4 C5 -2.0(2) . . . . ?
C3 C2 C8 N2 -55.18(19) . . . . ?
C3 C4 C5 C6 1.4(2) . . . . ?
C4 C5 C6 C1 1.1(2) . . . . ?
C4 C5 C6 C7 178.67(14) . . . . ?
C5 C6 C7 N1 165.00(13) . . . . ?
C6 C1 C2 C3 2.2(2) . . . . ?
C6 C1 C2 C8 -177.23(13) . . . . ?
C7 N1 C9 C10 -159.41(13) . . . . ?
C7 N1 C9 C11 70.79(16) . . . . ?
C7 N1 C12 C13 -176.64(13) . . . . ?
C7 N1 C12 C14 59.53(16) . . . . ?
C8 N2 C15 C16 -84.4(2) . . . . ?
C8 N2 C15 C17 41.2(2) . . . . ?
C8 N2 C18 C19 155.36(15) . . . . ?
C8 N2 C18 C20 -76.8(2) . . . . ?
C8 C2 C3 C4 179.63(14) . . . . ?
C9 N1 C7 C6 144.35(12) . . . . ?
C9 N1 C12 C13 -56.97(17) . . . . ?
C9 N1 C12 C14 179.20(13) . . . . ?
C12 N1 C7 C6 -92.79(14) . . . . ?
C12 N1 C9 C10 80.62(16) . . . . ?
C12 N1 C9 C11 -49.18(17) . . . . ?
C15 N2 C8 C2 165.05(15) . . . . ?
C15 N2 C18 C19 -69.7(2) . . . . ?
C15 N2 C18 C20 58.1(2) . . . . ?
C18 N2 C8 C2 -58.96(18) . . . . ?
C18 N2 C15 C16 140.59(18) . . . . ?
C18 N2 C15 C17 -93.9(2) . . . . ?
C21 C22 C23 C24 -0.2(2) . . . . ?
C21 C22 C28 N4 160.23(13) . . . . ?
C21 C26 C27 N3 154.00(14) . . . . ?
C22 C21 C26 C25 3.1(2) . . . . ?
C22 C21 C26 C27 -179.34(14) . . . . ?
C22 C23 C24 C25 2.0(2) . . . . ?
C23 C22 C28 N4 -23.46(19) . . . . ?
C23 C24 C25 C26 -1.3(3) . . . . ?
C24 C25 C26 C21 -1.3(2) . . . . ?
C24 C25 C26 C27 -178.99(15) . . . . ?
C25 C26 C27 N3 -28.3(2) . . . . ?
C26 C21 C22 C23 -2.3(2) . . . . ?
C26 C21 C22 C28 173.92(13) . . . . ?
C27 N3 C29 C30 155.05(15) . . . . ?
C27 N3 C29 C31 -77.41(19) . . . . ?
C27 N3 C32 C33 39.5(2) . . . . ?
C27 N3 C32 C34 -85.67(19) . . . . ?
C28 N4 C35 C36 -84.15(17) . . . . ?
C28 N4 C35 C37 149.97(14) . . . . ?
C28 N4 C38 C39 -86.28(19) . . . . ?
C28 N4 C38 C40 40.5(2) . . . . ?
C28 C22 C23 C24 -176.53(14) . . . . ?
C29 N3 C27 C26 -75.45(18) . . . . ?
C29 N3 C32 C33 -96.50(19) . . . . ?
C29 N3 C32 C34 138.32(17) . . . . ?
C32 N3 C27 C26 146.67(14) . . . . ?
C32 N3 C29 C30 -68.0(2) . . . . ?
C32 N3 C29 C31 59.6(2) . . . . ?
C35 N4 C28 C22 -71.98(16) . . . . ?
C35 N4 C38 C39 136.35(17) . . . . ?
C35 N4 C38 C40 -96.87(18) . . . . ?
C38 N4 C28 C22 149.69(14) . . . . ?
C38 N4 C35 C36 54.1(2) . . . . ?
C38 N4 C35 C37 -71.79(18) . . . . ?
C41 C42 C43 C44 -1.4(2) . . . . ?
C41 C42 C48 N6 160.66(14) . . . . ?
C41 C46 C47 N5 -161.77(13) . . . . ?
C42 C41 C46 C45 -0.8(2) . . . . ?
C42 C41 C46 C47 -178.81(13) . . . . ?
C42 C43 C44 C45 -0.1(3) . . . . ?
C43 C42 C48 N6 -19.6(2) . . . . ?
C43 C44 C45 C46 1.1(3) . . . . ?
C44 C45 C46 C41 -0.6(2) . . . . ?
C44 C45 C46 C47 177.39(14) . . . . ?
C45 C46 C47 N5 20.2(2) . . . . ?
C46 C41 C42 C43 1.8(2) . . . . ?
C46 C41 C42 C48 -178.49(14) . . . . ?
C47 N5 C49 C50 -151.82(15) . . . . ?
C47 N5 C49 C51 81.73(17) . . . . ?
C47 N5 C52 C53 -41.50(19) . . . . ?
C47 N5 C52 C54 83.30(16) . . . . ?
C48 N6 C55 C56 -79.66(17) . . . . ?
C48 N6 C55 C57 153.12(13) . . . . ?
C48 N6 C58 C59 -83.19(18) . . . . ?
C48 N6 C58 C60 42.2(2) . . . . ?
C48 C42 C43 C44 178.91(15) . . . . ?
C49 N5 C47 C46 73.37(16) . . . . ?
C49 N5 C52 C53 92.44(17) . . . . ?
C49 N5 C52 C54 -142.76(14) . . . . ?
C52 N5 C47 C46 -151.16(13) . . . . ?
C52 N5 C49 C50 73.55(19) . . . . ?
C52 N5 C49 C51 -52.89(18) . . . . ?
C55 N6 C48 C42 -74.07(16) . . . . ?
C55 N6 C58 C59 143.22(15) . . . . ?
C55 N6 C58 C60 -91.40(19) . . . . ?
C58 N6 C48 C42 150.24(14) . . . . ?
C58 N6 C55 C56 55.24(19) . . . . ?
C58 N6 C55 C57 -71.97(17) . . . . ?

_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_compound-3
_database_code_depnum_ccdc_archive 'CCDC 2242326'
loop_
_audit_author_name
_audit_author_address
'Jamie Hicks'
;Australian National University
Australia
;
_audit_update_record             
;
2023-02-16 deposited with the CCDC.	2023-05-16 downloaded from the CCDC.
;
_audit_creation_date             2023-02-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H42 Ge N2 O'
_chemical_formula_sum            'C30 H42 Ge N2 O'
_chemical_formula_weight         519.24
_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 0.0181 0.0091 '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 -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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                   8.2011(3)
_cell_length_b                   10.5814(6)
_cell_length_c                   16.5784(5)
_cell_angle_alpha                102.491(3)
_cell_angle_beta                 100.285(3)
_cell_angle_gamma                93.091(4)
_cell_volume                     1375.61(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8407
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      75.9920
_cell_measurement_theta_min      5.4860
_shelx_estimated_absorpt_T_max   0.877
_shelx_estimated_absorpt_T_min   0.719
_exptl_absorpt_coefficient_mu    1.681
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96121
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13167
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.498
_diffrn_reflns_theta_min         4.300
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector_area_resol_mean 10.4102
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5403
_reflns_number_total             5678
_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       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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         0.437
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         5678
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0299
_refine_ls_R_factor_gt           0.0283
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0418P)²+0.3289P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0727
_refine_ls_wR_factor_ref         0.0744
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
N1 \\sim C9 \\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01 within 2A
N1A \\sim C9A \\sim C10A \\sim C11A \\sim C12A \\sim C13A \\sim C14A: within 2A
with sigma of 0.005 and sigma for terminal atoms of 0.01 within 2A
3. Others
 Sof(H7BC)=Sof(H7BD)=Sof(N1A)=Sof(C9A)=Sof(H9A)=Sof(C10A)=Sof(H10D)=Sof(H10E)=
 Sof(H10F)=Sof(C11A)=Sof(H11D)=Sof(H11E)=Sof(H11F)=Sof(C12A)=Sof(H12A)=
 Sof(C13A)=Sof(H13D)=Sof(H13E)=Sof(H13F)=Sof(C14A)=Sof(H14D)=Sof(H14E)=
 Sof(H14F)=1-FVAR(1)
 Sof(H7AA)=Sof(H7AB)=Sof(N1)=Sof(C9)=Sof(H9)=Sof(C10)=Sof(H10A)=Sof(H10B)=
 Sof(H10C)=Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C12)=Sof(H12)=Sof(C13)=
 Sof(H13A)=Sof(H13B)=Sof(H13C)=Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=FVAR(1)
4.a Ternary CH refined with riding coordinates:
 C15(H15), C18(H18), C9(H9), C12(H12), C9A(H9A), C12A(H12A)
4.b Secondary CH2 refined with riding coordinates:
 C7(H7AA,H7AB), C7(H7BC,H7BD), C8(H8A,H8B)
4.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C22(H22), C23(H23), C24(H24), C26(H26), C27(H27),
 C28(H28), C29(H29)
4.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,H19B,H19C), C20(H20A,H20B,
 H20C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C13(H13A,H13B,H13C), C14(H14A,
 H14B,H14C), C10A(H10D,H10E,H10F), C11A(H11D,H11E,H11F), C13A(H13D,H13E,H13F),
 C14A(H14D,H14E,H14F)
;
_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 0.14912(2) 0.41218(2) 0.74866(2) 0.02203(6) Uani 1 1 d . . . . .
O1 O 0.35274(12) 0.36106(10) 0.80151(6) 0.0262(2) Uani 1 1 d . . . . .
N2 N 0.13639(13) 0.61779(11) 0.84520(7) 0.0201(2) Uani 1 1 d . . . . .
C1 C 0.27459(16) 0.53733(13) 0.70211(8) 0.0202(2) Uani 1 1 d . . . . .
C2 C 0.27334(16) 0.67041(13) 0.73321(8) 0.0217(2) Uani 1 1 d . . . . .
C3 C 0.3683(2) 0.75996(14) 0.70582(9) 0.0291(3) Uani 1 1 d . . . . .
H3 H 0.366165 0.850620 0.727069 0.035 Uiso 1 1 calc R U . . .
C4 C 0.4658(2) 0.71564(16) 0.64734(9) 0.0332(3) Uani 1 1 d . . . . .
H4 H 0.533700 0.776065 0.629832 0.040 Uiso 1 1 calc R U . . .
C5 C 0.46468(19) 0.58311(15) 0.61419(9) 0.0295(3) Uani 1 1 d . . . . .
H5 H 0.530244 0.553473 0.573335 0.035 Uiso 1 1 calc R U . . .
C6 C 0.36841(16) 0.49388(13) 0.64041(8) 0.0227(3) Uani 1 1 d . . . . .
C7 C 0.36534(17) 0.34993(14) 0.60334(9) 0.0264(3) Uani 1 1 d . . . . .
H7AA H 0.408652 0.336715 0.550388 0.032 Uiso 0.760(5) 1 calc R U P A 1
H7AB H 0.438414 0.310105 0.643226 0.032 Uiso 0.760(5) 1 calc R U P A 1
H7BC H 0.373210 0.336800 0.543249 0.032 Uiso 0.240(5) 1 calc R U P A 2
H7BD H 0.464349 0.316980 0.632671 0.032 Uiso 0.240(5) 1 calc R U P A 2
C8 C 0.16349(17) 0.71569(13) 0.79570(8) 0.0228(3) Uani 1 1 d . . . . .
H8A H 0.215751 0.798271 0.834577 0.027 Uiso 1 1 calc R U . . .
H8B H 0.054664 0.732645 0.765173 0.027 Uiso 1 1 calc R U . . .
C15 C -0.03840(16) 0.61271(14) 0.86273(9) 0.0250(3) Uani 1 1 d . . . . .
H15 H -0.052499 0.536347 0.888220 0.030 Uiso 1 1 calc R U . . .
C16 C -0.0716(2) 0.73232(17) 0.92586(11) 0.0357(3) Uani 1 1 d . . . . .
H16A H 0.000431 0.738031 0.980723 0.054 Uiso 1 1 calc R U . . .
H16B H -0.188451 0.724887 0.931500 0.054 Uiso 1 1 calc R U . . .
H16C H -0.048051 0.810699 0.905820 0.054 Uiso 1 1 calc R U . . .
C17 C -0.17273(18) 0.59001(17) 0.78251(10) 0.0341(3) Uani 1 1 d . . . . .
H17A H -0.184695 0.671826 0.764394 0.051 Uiso 1 1 calc R U . . .
H17B H -0.278971 0.558685 0.793975 0.051 Uiso 1 1 calc R U . . .
H17C H -0.140392 0.525012 0.737883 0.051 Uiso 1 1 calc R U . . .
C18 C 0.26408(17) 0.64920(13) 0.92644(8) 0.0232(3) Uani 1 1 d . . . . .
H18 H 0.246189 0.736929 0.958927 0.028 Uiso 1 1 calc R U . . .
C19 C 0.44244(17) 0.65586(14) 0.91156(9) 0.0263(3) Uani 1 1 d . . . . .
H19A H 0.463628 0.571111 0.879505 0.040 Uiso 1 1 calc R U . . .
H19B H 0.520240 0.678629 0.965873 0.040 Uiso 1 1 calc R U . . .
H19C H 0.457961 0.722127 0.879738 0.040 Uiso 1 1 calc R U . . .
C20 C 0.24340(19) 0.55254(15) 0.98090(9) 0.0294(3) Uani 1 1 d . . . . .
H20A H 0.134551 0.557508 0.997392 0.044 Uiso 1 1 calc R U . . .
H20B H 0.331552 0.573664 1.031460 0.044 Uiso 1 1 calc R U . . .
H20C H 0.250804 0.464330 0.948841 0.044 Uiso 1 1 calc R U . . .
C21 C 0.36266(17) 0.25696(13) 0.83616(8) 0.0231(3) Uani 1 1 d . . . . .
C22 C 0.23927(18) 0.21046(14) 0.87196(8) 0.0256(3) Uani 1 1 d . . . . .
H22 H 0.140146 0.252708 0.873243 0.031 Uiso 1 1 calc R U . . .
C23 C 0.25983(19) 0.10004(14) 0.90680(9) 0.0283(3) Uani 1 1 d . . . . .
H23 H 0.173657 0.069056 0.931074 0.034 Uiso 1 1 calc R U . . .
C24 C 0.4009(2) 0.03711(14) 0.90625(9) 0.0298(3) Uani 1 1 d . . . . .
H24 H 0.412453 -0.036417 0.930331 0.036 Uiso 1 1 calc R U . . .
C25 C 0.52946(18) 0.08145(14) 0.86985(9) 0.0287(3) Uani 1 1 d . . . . .
C26 C 0.6755(2) 0.01664(16) 0.86553(13) 0.0412(4) Uani 1 1 d . . . . .
H26 H 0.689549 -0.057043 0.889286 0.049 Uiso 1 1 calc R U . . .
C27 C 0.7961(2) 0.0583(2) 0.82786(15) 0.0495(5) Uani 1 1 d . . . . .
H27 H 0.892011 0.012423 0.824470 0.059 Uiso 1 1 calc R U . . .
C28 C 0.7792(2) 0.1696(2) 0.79373(13) 0.0446(4) Uani 1 1 d . . . . .
H28 H 0.864396 0.198685 0.768110 0.053 Uiso 1 1 calc R U . . .
C29 C 0.64049(19) 0.23534(15) 0.79755(10) 0.0322(3) Uani 1 1 d . . . . .
H29 H 0.630522 0.310329 0.774883 0.039 Uiso 1 1 calc R U . . .
C30 C 0.51182(17) 0.19281(13) 0.83490(9) 0.0254(3) Uani 1 1 d . . . . .
N1 N 0.1927(3) 0.2853(3) 0.58586(16) 0.0210(5) Uani 0.760(5) 1 d . U P A 1
C9 C 0.0732(2) 0.3410(2) 0.52749(11) 0.0242(5) Uani 0.760(5) 1 d . U P A 1
H9 H 0.096610 0.437674 0.546666 0.029 Uiso 0.760(5) 1 calc R U P A 1
C10 C -0.1060(4) 0.3092(3) 0.5356(2) 0.0343(6) Uani 0.760(5) 1 d . U P A 1
H10A H -0.138483 0.215974 0.512825 0.051 Uiso 0.760(5) 1 calc R U P A 1
H10B H -0.180037 0.359000 0.504036 0.051 Uiso 0.760(5) 1 calc R U P A 1
H10C H -0.114697 0.332042 0.595090 0.051 Uiso 0.760(5) 1 calc R U P A 1
C11 C 0.0885(5) 0.3065(4) 0.4345(2) 0.0365(7) Uani 0.760(5) 1 d . U P A 1
H11A H 0.202461 0.331860 0.429683 0.055 Uiso 0.760(5) 1 calc R U P A 1
H11B H 0.010505 0.353113 0.402436 0.055 Uiso 0.760(5) 1 calc R U P A 1
H11C H 0.062341 0.212651 0.412011 0.055 Uiso 0.760(5) 1 calc R U P A 1
C12 C 0.1823(2) 0.14040(18) 0.56299(12) 0.0270(5) Uani 0.760(5) 1 d . U P A 1
H12 H 0.068828 0.109738 0.528075 0.032 Uiso 0.760(5) 1 calc R U P A 1
C13 C 0.3070(4) 0.0830(2) 0.5102(2) 0.0468(7) Uani 0.760(5) 1 d . U P A 1
H13A H 0.301202 0.121727 0.461313 0.070 Uiso 0.760(5) 1 calc R U P A 1
H13B H 0.280063 -0.011351 0.491071 0.070 Uiso 0.760(5) 1 calc R U P A 1
H13C H 0.419680 0.101812 0.544532 0.070 Uiso 0.760(5) 1 calc R U P A 1
C14 C 0.1945(5) 0.0851(2) 0.64016(16) 0.0394(7) Uani 0.760(5) 1 d . U P A 1
H14A H 0.303720 0.113935 0.676814 0.059 Uiso 0.760(5) 1 calc R U P A 1
H14B H 0.180870 -0.010078 0.623135 0.059 Uiso 0.760(5) 1 calc R U P A 1
H14C H 0.106907 0.115558 0.670686 0.059 Uiso 0.760(5) 1 calc R U P A 1
N1A N 0.2184(15) 0.2751(12) 0.6095(6) 0.0356(19) Uani 0.240(5) 1 d . U P A 2
C9A C 0.0834(10) 0.2674(11) 0.5344(5) 0.0422(18) Uani 0.240(5) 1 d . U P A 2
H9A H 0.035956 0.174330 0.518943 0.051 Uiso 0.240(5) 1 calc R U P A 2
C10A C -0.0577(17) 0.3403(16) 0.5552(9) 0.057(3) Uani 0.240(5) 1 d . U P A 2
H10D H -0.104966 0.306098 0.597308 0.086 Uiso 0.240(5) 1 calc R U P A 2
H10E H -0.143187 0.330845 0.504187 0.086 Uiso 0.240(5) 1 calc R U P A 2
H10F H -0.018593 0.432526 0.577870 0.086 Uiso 0.240(5) 1 calc R U P A 2
C11A C 0.1301(19) 0.2902(18) 0.4539(9) 0.055(3) Uani 0.240(5) 1 d . U P A 2
H11D H 0.164804 0.382714 0.461228 0.083 Uiso 0.240(5) 1 calc R U P A 2
H11E H 0.033669 0.263760 0.407514 0.083 Uiso 0.240(5) 1 calc R U P A 2
H11F H 0.221928 0.238873 0.440891 0.083 Uiso 0.240(5) 1 calc R U P A 2
C12A C 0.2572(10) 0.1429(8) 0.6207(5) 0.0380(17) Uani 0.240(5) 1 d . U P A 2
H12A H 0.346944 0.160432 0.672355 0.046 Uiso 0.240(5) 1 calc R U P A 2
C13A C 0.3335(12) 0.0594(9) 0.5534(6) 0.046(2) Uani 0.240(5) 1 d . U P A 2
H13D H 0.374769 -0.015996 0.573056 0.068 Uiso 0.240(5) 1 calc R U P A 2
H13E H 0.426088 0.110673 0.541750 0.068 Uiso 0.240(5) 1 calc R U P A 2
H13F H 0.248954 0.029643 0.501733 0.068 Uiso 0.240(5) 1 calc R U P A 2
C14A C 0.1129(13) 0.0702(10) 0.6448(6) 0.040(2) Uani 0.240(5) 1 d . U P A 2
H14D H 0.089586 0.119696 0.697968 0.059 Uiso 0.240(5) 1 calc R U P A 2
H14E H 0.143461 -0.015844 0.651305 0.059 Uiso 0.240(5) 1 calc R U P A 2
H14F H 0.013506 0.060163 0.600354 0.059 Uiso 0.240(5) 1 calc R U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 O1 1.9050(10) . ?
Ge1 C1 1.9968(13) . ?
O1 C21 1.3478(17) . ?
N2 C8 1.4846(17) . ?
N2 C15 1.5131(17) . ?
N2 C18 1.5120(16) . ?
C1 C2 1.3921(18) . ?
C1 C6 1.4019(18) . ?
C2 C3 1.394(2) . ?
C2 C8 1.5099(18) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.390(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.387(2) . ?
C6 C7 1.5112(19) . ?
C7 H7AA 0.9900 . ?
C7 H7AB 0.9900 . ?
C7 H7BC 0.9900 . ?
C7 H7BD 0.9900 . ?
C7 N1 1.490(3) . ?
C7 N1A 1.438(13) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C15 H15 1.0000 . ?
C15 C16 1.529(2) . ?
C15 C17 1.5330(19) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18 1.0000 . ?
C18 C19 1.5267(19) . ?
C18 C20 1.5250(19) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.380(2) . ?
C21 C30 1.4318(19) . ?
C22 H22 0.9500 . ?
C22 C23 1.416(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.366(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.412(2) . ?
C25 C26 1.417(2) . ?
C25 C30 1.424(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.362(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.415(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.369(2) . ?
C29 H29 0.9500 . ?
C29 C30 1.415(2) . ?
N1 C9 1.488(3) . ?
N1 C12 1.491(3) . ?
C9 H9 1.0000 . ?
C9 C10 1.526(3) . ?
C9 C11 1.535(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12 1.0000 . ?
C12 C13 1.528(3) . ?
C12 C14 1.508(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
N1A C9A 1.497(11) . ?
N1A C12A 1.493(15) . ?
C9A H9A 1.0000 . ?
C9A C10A 1.475(16) . ?
C9A C11A 1.515(17) . ?
C10A H10D 0.9800 . ?
C10A H10E 0.9800 . ?
C10A H10F 0.9800 . ?
C11A H11D 0.9800 . ?
C11A H11E 0.9800 . ?
C11A H11F 0.9800 . ?
C12A H12A 1.0000 . ?
C12A C13A 1.517(11) . ?
C12A C14A 1.535(13) . ?
C13A H13D 0.9800 . ?
C13A H13E 0.9800 . ?
C13A H13F 0.9800 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ge1 C1 90.53(5) . . ?
C21 O1 Ge1 123.80(9) . . ?
C8 N2 C15 111.64(10) . . ?
C8 N2 C18 109.07(10) . . ?
C18 N2 C15 110.83(10) . . ?
C2 C1 Ge1 119.53(10) . . ?
C2 C1 C6 119.17(12) . . ?
C6 C1 Ge1 121.27(10) . . ?
C1 C2 C3 120.80(13) . . ?
C1 C2 C8 118.49(12) . . ?
C3 C2 C8 120.70(12) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.45(14) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.25(14) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.39(14) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C7 119.83(12) . . ?
C5 C6 C1 119.86(13) . . ?
C5 C6 C7 120.31(13) . . ?
C6 C7 H7AA 109.5 . . ?
C6 C7 H7AB 109.5 . . ?
C6 C7 H7BC 108.8 . . ?
C6 C7 H7BD 108.8 . . ?
H7AA C7 H7AB 108.1 . . ?
H7BC C7 H7BD 107.7 . . ?
N1 C7 C6 110.68(15) . . ?
N1 C7 H7AA 109.5 . . ?
N1 C7 H7AB 109.5 . . ?
N1A C7 C6 113.6(5) . . ?
N1A C7 H7BC 108.8 . . ?
N1A C7 H7BD 108.8 . . ?
N2 C8 C2 111.72(11) . . ?
N2 C8 H8A 109.3 . . ?
N2 C8 H8B 109.3 . . ?
C2 C8 H8A 109.3 . . ?
C2 C8 H8B 109.3 . . ?
H8A C8 H8B 107.9 . . ?
N2 C15 H15 106.9 . . ?
N2 C15 C16 113.93(12) . . ?
N2 C15 C17 112.84(11) . . ?
C16 C15 H15 106.9 . . ?
C16 C15 C17 109.04(12) . . ?
C17 C15 H15 106.9 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 H18 107.6 . . ?
N2 C18 C19 112.53(11) . . ?
N2 C18 C20 112.01(11) . . ?
C19 C18 H18 107.6 . . ?
C20 C18 H18 107.6 . . ?
C20 C18 C19 109.40(12) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O1 C21 C22 124.00(13) . . ?
O1 C21 C30 116.64(13) . . ?
C22 C21 C30 119.36(13) . . ?
C21 C22 H22 119.9 . . ?
C21 C22 C23 120.29(13) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.3 . . ?
C24 C23 C22 121.42(14) . . ?
C24 C23 H23 119.3 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 119.92(13) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C26 121.78(14) . . ?
C24 C25 C30 119.59(14) . . ?
C26 C25 C30 118.63(15) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 C25 121.05(16) . . ?
C27 C26 H26 119.5 . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.33(16) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 119.9 . . ?
C29 C28 C27 120.17(18) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 119.6 . . ?
C28 C29 C30 120.70(16) . . ?
C30 C29 H29 119.6 . . ?
C25 C30 C21 119.42(14) . . ?
C29 C30 C21 121.46(13) . . ?
C29 C30 C25 119.10(14) . . ?
C7 N1 C12 114.1(2) . . ?
C9 N1 C7 113.16(19) . . ?
C9 N1 C12 113.5(2) . . ?
N1 C9 H9 106.3 . . ?
N1 C9 C10 111.2(2) . . ?
N1 C9 C11 116.0(2) . . ?
C10 C9 H9 106.3 . . ?
C10 C9 C11 110.1(2) . . ?
C11 C9 H9 106.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 H12 106.7 . . ?
N1 C12 C13 115.3(2) . . ?
N1 C12 C14 111.15(18) . . ?
C13 C12 H12 106.7 . . ?
C14 C12 H12 106.7 . . ?
C14 C12 C13 109.9(2) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C7 N1A C9A 110.6(8) . . ?
C7 N1A C12A 110.8(8) . . ?
C12A N1A C9A 111.5(9) . . ?
N1A C9A H9A 104.0 . . ?
N1A C9A C11A 119.0(9) . . ?
C10A C9A N1A 112.7(9) . . ?
C10A C9A H9A 104.0 . . ?
C10A C9A C11A 111.3(11) . . ?
C11A C9A H9A 104.0 . . ?
C9A C10A H10D 109.5 . . ?
C9A C10A H10E 109.5 . . ?
C9A C10A H10F 109.5 . . ?
H10D C10A H10E 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
C9A C11A H11D 109.5 . . ?
C9A C11A H11E 109.5 . . ?
C9A C11A H11F 109.5 . . ?
H11D C11A H11E 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
N1A C12A H12A 104.1 . . ?
N1A C12A C13A 117.1(9) . . ?
N1A C12A C14A 112.2(8) . . ?
C13A C12A H12A 104.1 . . ?
C13A C12A C14A 113.4(7) . . ?
C14A C12A H12A 104.1 . . ?
C12A C13A H13D 109.5 . . ?
C12A C13A H13E 109.5 . . ?
C12A C13A H13F 109.5 . . ?
H13D C13A H13E 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
C12A C14A H14D 109.5 . . ?
C12A C14A H14E 109.5 . . ?
C12A C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 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 O1 C21 C22 -30.38(17) . . . . ?
Ge1 O1 C21 C30 149.70(9) . . . . ?
Ge1 C1 C2 C3 175.86(10) . . . . ?
Ge1 C1 C2 C8 -5.63(15) . . . . ?
Ge1 C1 C6 C5 -174.89(10) . . . . ?
Ge1 C1 C6 C7 4.56(16) . . . . ?
O1 C21 C22 C23 179.82(12) . . . . ?
O1 C21 C30 C25 -179.45(12) . . . . ?
O1 C21 C30 C29 -1.25(19) . . . . ?
C1 C2 C3 C4 -0.4(2) . . . . ?
C1 C2 C8 N2 27.68(16) . . . . ?
C1 C6 C7 N1 42.44(19) . . . . ?
C1 C6 C7 N1A 23.8(5) . . . . ?
C2 C1 C6 C5 3.11(19) . . . . ?
C2 C1 C6 C7 -177.43(12) . . . . ?
C2 C3 C4 C5 2.1(2) . . . . ?
C3 C2 C8 N2 -153.81(12) . . . . ?
C3 C4 C5 C6 -1.2(2) . . . . ?
C4 C5 C6 C1 -1.5(2) . . . . ?
C4 C5 C6 C7 179.08(13) . . . . ?
C5 C6 C7 N1 -138.10(16) . . . . ?
C5 C6 C7 N1A -156.8(4) . . . . ?
C6 C1 C2 C3 -2.18(19) . . . . ?
C6 C1 C2 C8 176.33(11) . . . . ?
C6 C7 N1 C9 58.1(2) . . . . ?
C6 C7 N1 C12 -170.15(16) . . . . ?
C6 C7 N1A C9A 88.8(8) . . . . ?
C6 C7 N1A C12A -147.1(5) . . . . ?
C7 N1 C9 C10 -159.6(2) . . . . ?
C7 N1 C9 C11 73.6(3) . . . . ?
C7 N1 C12 C13 -36.0(3) . . . . ?
C7 N1 C12 C14 89.9(3) . . . . ?
C7 N1A C9A C10A -111.4(12) . . . . ?
C7 N1A C9A C11A 21.7(15) . . . . ?
C7 N1A C12A C13A -57.5(10) . . . . ?
C7 N1A C12A C14A 168.8(7) . . . . ?
C8 N2 C15 C16 -70.62(14) . . . . ?
C8 N2 C15 C17 54.42(15) . . . . ?
C8 N2 C18 C19 -56.45(14) . . . . ?
C8 N2 C18 C20 179.81(11) . . . . ?
C8 C2 C3 C4 -178.90(13) . . . . ?
C15 N2 C8 C2 -143.38(11) . . . . ?
C15 N2 C18 C19 -179.74(11) . . . . ?
C15 N2 C18 C20 56.51(14) . . . . ?
C18 N2 C8 C2 93.80(12) . . . . ?
C18 N2 C15 C16 51.18(15) . . . . ?
C18 N2 C15 C17 176.22(12) . . . . ?
C21 C22 C23 C24 0.2(2) . . . . ?
C22 C21 C30 C25 0.62(19) . . . . ?
C22 C21 C30 C29 178.82(13) . . . . ?
C22 C23 C24 C25 -0.5(2) . . . . ?
C23 C24 C25 C26 -177.96(14) . . . . ?
C23 C24 C25 C30 0.8(2) . . . . ?
C24 C25 C26 C27 177.93(17) . . . . ?
C24 C25 C30 C21 -0.9(2) . . . . ?
C24 C25 C30 C29 -179.15(13) . . . . ?
C25 C26 C27 C28 1.4(3) . . . . ?
C26 C25 C30 C21 177.92(13) . . . . ?
C26 C25 C30 C29 -0.3(2) . . . . ?
C26 C27 C28 C29 -0.7(3) . . . . ?
C27 C28 C29 C30 -0.5(3) . . . . ?
C28 C29 C30 C21 -177.22(15) . . . . ?
C28 C29 C30 C25 1.0(2) . . . . ?
C30 C21 C22 C23 -0.26(19) . . . . ?
C30 C25 C26 C27 -0.9(2) . . . . ?
C9 N1 C12 C13 95.6(3) . . . . ?
C9 N1 C12 C14 -138.5(2) . . . . ?
C12 N1 C9 C10 68.4(3) . . . . ?
C12 N1 C9 C11 -58.5(3) . . . . ?
C9A N1A C12A C13A 66.2(12) . . . . ?
C9A N1A C12A C14A -67.5(10) . . . . ?
C12A N1A C9A C10A 124.9(13) . . . . ?
C12A N1A C9A C11A -102.1(13) . . . . ?

_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_compound-4
_database_code_depnum_ccdc_archive 'CCDC 2242327'
loop_
_audit_author_name
_audit_author_address
'Jamie Hicks'
;Australian National University
Australia
;
_audit_update_record             
;
2023-02-16 deposited with the CCDC.	2023-05-16 downloaded from the CCDC.
;
_audit_creation_date             2023-02-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H36 Ge N2 O2'
_chemical_formula_sum            'C21 H36 Ge N2 O2'
_chemical_formula_weight         421.11
_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 0.0181 0.0091 '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 -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.3981(2)
_cell_length_b                   11.37830(10)
_cell_length_c                   14.8745(2)
_cell_angle_alpha                90
_cell_angle_beta                 118.729(2)
_cell_angle_gamma                90
_cell_volume                     2136.86(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10228
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      76.0900
_cell_measurement_theta_min      5.1330
_shelx_estimated_absorpt_T_max   0.760
_shelx_estimated_absorpt_T_min   0.707
_exptl_absorpt_coefficient_mu    2.069
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89915
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21768
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.116
_diffrn_reflns_theta_min         3.512
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector_area_resol_mean 10.4102
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3934
_reflns_number_total             4443
_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       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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         0.336
_refine_diff_density_min         -0.309
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     243
_refine_ls_number_reflns         4443
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0260
_refine_ls_restrained_S_all      1.028
_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)+(0.0364P)²+0.7541P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0658
_refine_ls_wR_factor_ref         0.0695
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C9(H9), C12(H12), C15(H15), C18(H18)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C21(H21)
2.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C13(H13A,H13B,H13C), C14(H14A,H14B,
 H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,H19B,H19C), C20(H20A,
 H20B,H20C)
;
_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 0.65892(2) 0.50580(2) 0.34117(2) 0.01864(7) Uani 1 1 d . . . . .
O1 O 0.51530(9) 0.45534(10) 0.30380(8) 0.0258(2) Uani 1 1 d . . . . .
O2 O 0.48954(12) 0.35775(11) 0.16220(10) 0.0419(3) Uani 1 1 d . . . . .
N1 N 0.61569(10) 0.65896(10) 0.22256(9) 0.0176(2) Uani 1 1 d . . . . .
N2 N 0.72552(9) 0.42757(10) 0.54386(9) 0.0179(2) Uani 1 1 d . . . . .
C1 C 0.64380(11) 0.63887(12) 0.42029(10) 0.0178(3) Uani 1 1 d . . . . .
C2 C 0.64010(11) 0.62251(13) 0.51211(11) 0.0191(3) Uani 1 1 d . . . . .
C3 C 0.62887(12) 0.71887(14) 0.56341(11) 0.0233(3) Uani 1 1 d . . . . .
H3 H 0.626399 0.707535 0.625497 0.028 Uiso 1 1 calc R U . . .
C4 C 0.62123(13) 0.83164(14) 0.52474(12) 0.0257(3) Uani 1 1 d . . . . .
H4 H 0.613406 0.896967 0.560307 0.031 Uiso 1 1 calc R U . . .
C5 C 0.62501(12) 0.84900(13) 0.43431(11) 0.0234(3) Uani 1 1 d . . . . .
H5 H 0.619739 0.926104 0.407757 0.028 Uiso 1 1 calc R U . . .
C6 C 0.63661(11) 0.75246(13) 0.38235(11) 0.0197(3) Uani 1 1 d . . . . .
C7 C 0.64203(13) 0.76958(13) 0.28410(11) 0.0234(3) Uani 1 1 d . . . . .
H7A H 0.591786 0.832125 0.242775 0.028 Uiso 1 1 calc R U . . .
H7B H 0.714226 0.795400 0.300834 0.028 Uiso 1 1 calc R U . . .
C8 C 0.64553(12) 0.49910(12) 0.55294(11) 0.0205(3) Uani 1 1 d . . . . .
H8A H 0.662986 0.503347 0.625865 0.025 Uiso 1 1 calc R U . . .
H8B H 0.575375 0.461039 0.514295 0.025 Uiso 1 1 calc R U . . .
C9 C 0.68780(12) 0.64486(14) 0.17527(11) 0.0220(3) Uani 1 1 d . . . . .
H9 H 0.680345 0.716297 0.133155 0.026 Uiso 1 1 calc R U . . .
C10 C 0.65651(14) 0.53765(15) 0.10500(12) 0.0275(3) Uani 1 1 d . . . . .
H10A H 0.652348 0.468490 0.142173 0.041 Uiso 1 1 calc R U . . .
H10B H 0.709719 0.524197 0.082912 0.041 Uiso 1 1 calc R U . . .
H10C H 0.587365 0.551452 0.044815 0.041 Uiso 1 1 calc R U . . .
C11 C 0.80434(13) 0.63332(17) 0.25695(13) 0.0330(4) Uani 1 1 d . . . . .
H11A H 0.824713 0.701108 0.303211 0.049 Uiso 1 1 calc R U . . .
H11B H 0.848728 0.630506 0.223593 0.049 Uiso 1 1 calc R U . . .
H11C H 0.814105 0.560978 0.296270 0.049 Uiso 1 1 calc R U . . .
C12 C 0.49981(12) 0.65870(13) 0.14120(11) 0.0201(3) Uani 1 1 d . . . . .
H12 H 0.482271 0.576964 0.113315 0.024 Uiso 1 1 calc R U . . .
C13 C 0.42635(13) 0.68822(14) 0.18550(12) 0.0260(3) Uani 1 1 d . . . . .
H13A H 0.446282 0.641191 0.247317 0.039 Uiso 1 1 calc R U . . .
H13B H 0.353021 0.670474 0.134592 0.039 Uiso 1 1 calc R U . . .
H13C H 0.432655 0.771922 0.203016 0.039 Uiso 1 1 calc R U . . .
C14 C 0.47403(13) 0.74068(14) 0.05027(12) 0.0269(3) Uani 1 1 d . . . . .
H14A H 0.499008 0.820223 0.075655 0.040 Uiso 1 1 calc R U . . .
H14B H 0.397275 0.742156 0.004815 0.040 Uiso 1 1 calc R U . . .
H14C H 0.509338 0.712037 0.012272 0.040 Uiso 1 1 calc R U . . .
C15 C 0.83412(12) 0.47656(13) 0.60438(12) 0.0238(3) Uani 1 1 d . . . . .
H15 H 0.828323 0.562887 0.590055 0.029 Uiso 1 1 calc R U . . .
C16 C 0.90819(13) 0.42769(15) 0.56742(14) 0.0313(4) Uani 1 1 d . . . . .
H16A H 0.921167 0.344163 0.585168 0.047 Uiso 1 1 calc R U . . .
H16B H 0.975473 0.470569 0.600395 0.047 Uiso 1 1 calc R U . . .
H16C H 0.875653 0.436834 0.492873 0.047 Uiso 1 1 calc R U . . .
C17 C 0.88270(15) 0.46331(17) 0.72098(13) 0.0359(4) Uani 1 1 d . . . . .
H17A H 0.833028 0.493447 0.742950 0.054 Uiso 1 1 calc R U . . .
H17B H 0.949001 0.507902 0.754922 0.054 Uiso 1 1 calc R U . . .
H17C H 0.897084 0.380108 0.739551 0.054 Uiso 1 1 calc R U . . .
C18 C 0.71804(12) 0.29945(13) 0.56099(11) 0.0222(3) Uani 1 1 d . . . . .
H18 H 0.790352 0.265429 0.586008 0.027 Uiso 1 1 calc R U . . .
C19 C 0.64484(14) 0.23837(14) 0.46037(12) 0.0283(3) Uani 1 1 d . . . . .
H19A H 0.572618 0.268438 0.434070 0.042 Uiso 1 1 calc R U . . .
H19B H 0.645539 0.153512 0.471936 0.042 Uiso 1 1 calc R U . . .
H19C H 0.669256 0.253850 0.410315 0.042 Uiso 1 1 calc R U . . .
C20 C 0.68318(14) 0.26901(15) 0.64086(12) 0.0302(4) Uani 1 1 d . . . . .
H20A H 0.727740 0.311427 0.704687 0.045 Uiso 1 1 calc R U . . .
H20B H 0.690517 0.184228 0.654056 0.045 Uiso 1 1 calc R U . . .
H20C H 0.609029 0.291944 0.614813 0.045 Uiso 1 1 calc R U . . .
C21 C 0.46662(14) 0.38565(14) 0.22852(12) 0.0290(3) Uani 1 1 d . . . . .
H21 H 0.404232 0.350681 0.223131 0.035 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 1.9518(11) . ?
Ge1 N1 2.3413(12) . ?
Ge1 C1 1.9927(14) . ?
O1 C21 1.272(2) . ?
O2 C21 1.223(2) . ?
N1 C7 1.4940(18) . ?
N1 C9 1.5168(18) . ?
N1 C12 1.5189(18) . ?
N2 C8 1.4685(18) . ?
N2 C15 1.4876(19) . ?
N2 C18 1.4926(18) . ?
C1 C2 1.4045(19) . ?
C1 C6 1.394(2) . ?
C2 C3 1.389(2) . ?
C2 C8 1.5169(19) . ?
C3 H3 0.9500 . ?
C3 C4 1.389(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.386(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.399(2) . ?
C6 C7 1.513(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9 1.0000 . ?
C9 C10 1.527(2) . ?
C9 C11 1.533(2) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12 1.0000 . ?
C12 C13 1.528(2) . ?
C12 C14 1.534(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15 1.0000 . ?
C15 C16 1.521(2) . ?
C15 C17 1.534(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18 1.0000 . ?
C18 C19 1.522(2) . ?
C18 C20 1.535(2) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ge1 N1 98.21(4) . . ?
O1 Ge1 C1 89.44(5) . . ?
C1 Ge1 N1 79.31(5) . . ?
C21 O1 Ge1 119.61(11) . . ?
C7 N1 Ge1 105.55(8) . . ?
C7 N1 C9 110.15(12) . . ?
C7 N1 C12 110.36(11) . . ?
C9 N1 Ge1 106.11(8) . . ?
C9 N1 C12 111.40(11) . . ?
C12 N1 Ge1 113.03(8) . . ?
C8 N2 C15 112.29(12) . . ?
C8 N2 C18 113.67(11) . . ?
C15 N2 C18 113.82(11) . . ?
C2 C1 Ge1 122.65(10) . . ?
C6 C1 Ge1 118.25(10) . . ?
C6 C1 C2 119.10(13) . . ?
C1 C2 C8 119.56(12) . . ?
C3 C2 C1 119.90(13) . . ?
C3 C2 C8 120.53(13) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.58(14) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.09(14) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.67(14) . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 120.66(13) . . ?
C1 C6 C7 118.82(12) . . ?
C5 C6 C7 120.53(13) . . ?
N1 C7 C6 111.57(12) . . ?
N1 C7 H7A 109.3 . . ?
N1 C7 H7B 109.3 . . ?
C6 C7 H7A 109.3 . . ?
C6 C7 H7B 109.3 . . ?
H7A C7 H7B 108.0 . . ?
N2 C8 C2 111.59(12) . . ?
N2 C8 H8A 109.3 . . ?
N2 C8 H8B 109.3 . . ?
C2 C8 H8A 109.3 . . ?
C2 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
N1 C9 H9 108.2 . . ?
N1 C9 C10 111.07(12) . . ?
N1 C9 C11 111.97(12) . . ?
C10 C9 H9 108.2 . . ?
C10 C9 C11 108.95(14) . . ?
C11 C9 H9 108.2 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 H12 107.1 . . ?
N1 C12 C13 112.26(12) . . ?
N1 C12 C14 114.13(12) . . ?
C13 C12 H12 107.1 . . ?
C13 C12 C14 108.79(12) . . ?
C14 C12 H12 107.1 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 H15 106.5 . . ?
N2 C15 C16 111.10(13) . . ?
N2 C15 C17 115.00(14) . . ?
C16 C15 H15 106.5 . . ?
C16 C15 C17 110.79(14) . . ?
C17 C15 H15 106.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 H18 107.1 . . ?
N2 C18 C19 110.53(12) . . ?
N2 C18 C20 115.46(13) . . ?
C19 C18 H18 107.1 . . ?
C19 C18 C20 109.18(13) . . ?
C20 C18 H18 107.1 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O1 C21 H21 115.7 . . ?
O2 C21 O1 128.57(16) . . ?
O2 C21 H21 115.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ge1 O1 C21 O2 -13.3(2) . . . . ?
Ge1 N1 C7 C6 -26.22(14) . . . . ?
Ge1 N1 C9 C10 70.82(12) . . . . ?
Ge1 N1 C9 C11 -51.22(14) . . . . ?
Ge1 N1 C12 C13 67.85(13) . . . . ?
Ge1 N1 C12 C14 -167.78(10) . . . . ?
Ge1 C1 C2 C3 -179.65(11) . . . . ?
Ge1 C1 C2 C8 -1.25(19) . . . . ?
Ge1 C1 C6 C5 179.46(11) . . . . ?
Ge1 C1 C6 C7 -0.78(18) . . . . ?
C1 C2 C3 C4 0.0(2) . . . . ?
C1 C2 C8 N2 42.59(18) . . . . ?
C1 C6 C7 N1 20.61(19) . . . . ?
C2 C1 C6 C5 -0.5(2) . . . . ?
C2 C1 C6 C7 179.24(13) . . . . ?
C2 C3 C4 C5 -0.1(2) . . . . ?
C3 C2 C8 N2 -139.02(14) . . . . ?
C3 C4 C5 C6 0.0(2) . . . . ?
C4 C5 C6 C1 0.4(2) . . . . ?
C4 C5 C6 C7 -179.38(14) . . . . ?
C5 C6 C7 N1 -159.63(13) . . . . ?
C6 C1 C2 C3 0.3(2) . . . . ?
C6 C1 C2 C8 178.72(13) . . . . ?
C7 N1 C9 C10 -175.39(12) . . . . ?
C7 N1 C9 C11 62.56(16) . . . . ?
C7 N1 C12 C13 -50.09(15) . . . . ?
C7 N1 C12 C14 74.29(15) . . . . ?
C8 N2 C15 C16 -161.09(12) . . . . ?
C8 N2 C15 C17 72.06(16) . . . . ?
C8 N2 C18 C19 89.99(15) . . . . ?
C8 N2 C18 C20 -34.53(18) . . . . ?
C8 C2 C3 C4 -178.38(14) . . . . ?
C9 N1 C7 C6 -140.35(13) . . . . ?
C9 N1 C12 C13 -172.79(12) . . . . ?
C9 N1 C12 C14 -48.41(16) . . . . ?
C12 N1 C7 C6 96.23(14) . . . . ?
C12 N1 C9 C10 -52.58(15) . . . . ?
C12 N1 C9 C11 -174.63(13) . . . . ?
C15 N2 C8 C2 61.74(15) . . . . ?
C15 N2 C18 C19 -139.76(13) . . . . ?
C15 N2 C18 C20 95.72(16) . . . . ?
C18 N2 C8 C2 -167.25(12) . . . . ?
C18 N2 C15 C16 67.97(16) . . . . ?
C18 N2 C15 C17 -58.87(17) . . . . ?

_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_compound-5
_database_code_depnum_ccdc_archive 'CCDC 2242328'
loop_
_audit_author_name
_audit_author_address
'Jamie Hicks'
;Australian National University
Australia
;
_audit_update_record             
;
2023-02-16 deposited with the CCDC.	2023-05-16 downloaded from the CCDC.
;
_audit_creation_date             2023-02-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H37 Ge N2, B C24 F20, 0.5(C6 H14)'
_chemical_formula_sum            'C47 H44 B F20 Ge N2'
_chemical_formula_weight         1100.24
_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 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   18.1855(2)
_cell_length_b                   22.2471(3)
_cell_length_c                   22.8462(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9243.0(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    18763
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      75.7200
_cell_measurement_theta_min      3.6370
_shelx_estimated_absorpt_T_max   0.962
_shelx_estimated_absorpt_T_min   0.827
_exptl_absorpt_coefficient_mu    1.973
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91407
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.81a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4456
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            64509
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.666
_diffrn_reflns_theta_min         3.688
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector_area_resol_mean 10.4102
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -116.00 -23.00   1.00   10.00    --  -42.66 -19.00 120.00   93
  2  ω      3.00  29.00   1.00   10.00    --  -42.66  18.00  68.00   26
  3  ω     79.00 119.00   1.00   10.00    --   42.66 178.00-150.00   40
  4  ω     41.00  66.00   1.00   40.00    --  111.00 -45.00 -90.00   25
  5  ω     37.00 104.00   1.00   40.00    --  111.00 -95.00 150.00   67
  6  ω     83.00 109.00   1.00   40.00    --  111.00-113.00  77.00   26
  7  ω     60.00  87.00   1.00   40.00    --  111.00 -61.00 120.00   27
  8  ω     45.00  82.00   1.00   40.00    --  111.00 -61.00 150.00   37
  9  ω     43.00  70.00   1.00   40.00    --  111.00 -45.00  60.00   27
 10  ω    134.00 176.00   1.00   40.00    --  111.00  77.00-150.00   42
 11  ω     40.00  70.00   1.00   40.00    --  111.00 -45.00   0.00   30
 12  ω     85.00 178.00   1.00   40.00    --  111.00  15.00   0.00   93
 13  ω     41.00  72.00   1.00   40.00    --  111.00 -45.00-120.00   31
 14  ω     52.00  77.00   1.00   40.00    --  111.00 -61.00  30.00   25
 15  ω    -88.00 -42.00   1.00   10.00    --  -42.66 178.00-180.00   46
 16  ω   -125.00 -99.00   1.00   10.00    --  -42.66 178.00-180.00   26
 17  ω     89.00 119.00   1.00   10.00    --   42.66 178.00  90.00   30
 18  ω     42.00  72.00   1.00   40.00    --  111.00 -45.00-180.00   30
 19  ω     41.00  69.00   1.00   40.00    --  111.00 -45.00 -60.00   28
 20  ω     78.00 112.00   1.00   40.00    --  111.00-125.00  60.00   34
 21  ω    101.00 126.00   1.00   40.00    --  111.00 -77.00-150.00   25
 22  ω     77.00 103.00   1.00   40.00    --  111.00  15.00-150.00   26
 23  ω    147.00 172.00   1.00   40.00    --  111.00  15.00-150.00   25
 24  ω     39.00 112.00   1.00   40.00    --  111.00-125.00 -60.00   73
 25  ω     61.00  88.00   1.00   40.00    --  111.00 -61.00-120.00   27
 26  ω     42.00  68.00   1.00   40.00    --  111.00-125.00  60.00   26
 27  ω    118.00 166.00   1.00   40.00    --  111.00  61.00 -90.00   48
 28  ω     81.00 108.00   1.00   40.00    --  111.00-104.00-157.17   27
 29  ω    -37.00   7.00   1.00   10.00    --  -42.66  57.00  30.00   44
 30  ω     -4.00  36.00   1.00   10.00    --  -42.66  19.00 120.00   40
 31  ω    -11.00  18.00   1.00   10.00    --  -42.66  38.00 -30.00   29
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7547
_reflns_number_total             9607
_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       'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_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         0.253
_refine_diff_density_min         -0.369
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     655
_refine_ls_number_reflns         9607
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0308
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0371P)²+3.2299P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0815
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All Ge(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C9(H9), C12(H12), C15(H15), C18(H18)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C46(H46A,H46B), C47(H47A,H47B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5)
2.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C13(H13A,H13B,H13C), C14(H14A,H14B,
 H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,H19B,H19C), C20(H20A,
 H20B,H20C), C45(H45A,H45B,H45C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.23835(2) 0.76715(2) 0.63334(2) 0.02837(6) Uani 1 1 d . . . . .
H1A H 0.2758(12) 0.8081(10) 0.5914(9) 0.034 Uiso 1 1 d . U . . .
H1B H 0.1946(12) 0.8000(10) 0.6758(9) 0.034 Uiso 1 1 d . U . . .
N1 N 0.14518(8) 0.74888(7) 0.57015(7) 0.0298(3) Uani 1 1 d . . . . .
N2 N 0.32956(8) 0.75853(7) 0.70079(6) 0.0263(3) Uani 1 1 d . . . . .
C1 C 0.24826(10) 0.68238(8) 0.63112(8) 0.0260(3) Uani 1 1 d . . . . .
C2 C 0.20247(10) 0.64956(8) 0.59414(8) 0.0286(4) Uani 1 1 d . . . . .
C3 C 0.20924(11) 0.58777(9) 0.59258(8) 0.0331(4) Uani 1 1 d . . . . .
H3 H 0.179235 0.564784 0.566933 0.040 Uiso 1 1 calc R U . . .
C4 C 0.26022(12) 0.55911(9) 0.62870(9) 0.0375(4) Uani 1 1 d . . . . .
H4 H 0.264605 0.516568 0.627636 0.045 Uiso 1 1 calc R U . . .
C5 C 0.30471(11) 0.59231(9) 0.66630(8) 0.0333(4) Uani 1 1 d . . . . .
H5 H 0.338464 0.572410 0.691426 0.040 Uiso 1 1 calc R U . . .
C6 C 0.29966(10) 0.65443(8) 0.66699(7) 0.0268(3) Uani 1 1 d . . . . .
C7 C 0.14725(11) 0.68272(8) 0.55689(9) 0.0350(4) Uani 1 1 d . . . . .
H7A H 0.159778 0.676938 0.515095 0.042 Uiso 1 1 calc R U . . .
H7B H 0.097811 0.665399 0.563543 0.042 Uiso 1 1 calc R U . . .
C8 C 0.34791(10) 0.69293(8) 0.70552(8) 0.0311(4) Uani 1 1 d . . . . .
H8A H 0.342130 0.679988 0.746723 0.037 Uiso 1 1 calc R U . . .
H8B H 0.399973 0.686819 0.694350 0.037 Uiso 1 1 calc R U . . .
C9 C 0.15566(11) 0.78465(9) 0.51392(9) 0.0355(4) Uani 1 1 d . . . . .
H9 H 0.161159 0.827820 0.525295 0.043 Uiso 1 1 calc R U . . .
C10 C 0.22547(12) 0.76674(12) 0.48114(10) 0.0459(5) Uani 1 1 d . . . . .
H10A H 0.216154 0.730217 0.458334 0.069 Uiso 1 1 calc R U . . .
H10B H 0.265034 0.759147 0.509317 0.069 Uiso 1 1 calc R U . . .
H10C H 0.240040 0.799352 0.454745 0.069 Uiso 1 1 calc R U . . .
C11 C 0.08970(13) 0.78066(11) 0.47236(10) 0.0436(5) Uani 1 1 d . . . . .
H11A H 0.101100 0.801891 0.435887 0.065 Uiso 1 1 calc R U . . .
H11B H 0.046677 0.799171 0.490869 0.065 Uiso 1 1 calc R U . . .
H11C H 0.079135 0.738383 0.463752 0.065 Uiso 1 1 calc R U . . .
C12 C 0.07196(11) 0.76386(10) 0.59899(10) 0.0381(4) Uani 1 1 d . . . . .
H12 H 0.032335 0.749832 0.571896 0.046 Uiso 1 1 calc R U . . .
C13 C 0.06217(13) 0.72966(12) 0.65672(11) 0.0499(6) Uani 1 1 d . . . . .
H13A H 0.094554 0.746993 0.686563 0.075 Uiso 1 1 calc R U . . .
H13B H 0.074765 0.687248 0.650870 0.075 Uiso 1 1 calc R U . . .
H13C H 0.010930 0.732860 0.669634 0.075 Uiso 1 1 calc R U . . .
C14 C 0.06071(12) 0.83102(11) 0.60810(11) 0.0465(5) Uani 1 1 d . . . . .
H14A H 0.013586 0.837896 0.627796 0.070 Uiso 1 1 calc R U . . .
H14B H 0.060618 0.851411 0.570073 0.070 Uiso 1 1 calc R U . . .
H14C H 0.100696 0.847002 0.632287 0.070 Uiso 1 1 calc R U . . .
C15 C 0.39786(10) 0.79294(9) 0.68256(9) 0.0325(4) Uani 1 1 d . . . . .
H15 H 0.437076 0.784267 0.712060 0.039 Uiso 1 1 calc R U . . .
C16 C 0.42606(11) 0.77192(11) 0.62304(10) 0.0426(5) Uani 1 1 d . . . . .
H16A H 0.430887 0.728046 0.623129 0.064 Uiso 1 1 calc R U . . .
H16B H 0.474123 0.790182 0.615301 0.064 Uiso 1 1 calc R U . . .
H16C H 0.391262 0.784038 0.592485 0.064 Uiso 1 1 calc R U . . .
C17 C 0.38503(13) 0.86068(9) 0.68238(9) 0.0402(5) Uani 1 1 d . . . . .
H17A H 0.343145 0.870169 0.657028 0.060 Uiso 1 1 calc R U . . .
H17B H 0.429091 0.881071 0.667693 0.060 Uiso 1 1 calc R U . . .
H17C H 0.374620 0.874333 0.722316 0.060 Uiso 1 1 calc R U . . .
C18 C 0.29939(12) 0.78133(9) 0.75881(8) 0.0353(4) Uani 1 1 d . . . . .
H18 H 0.279027 0.822414 0.751535 0.042 Uiso 1 1 calc R U . . .
C19 C 0.23599(14) 0.74240(12) 0.78065(11) 0.0516(6) Uani 1 1 d . . . . .
H19A H 0.202928 0.733182 0.747989 0.077 Uiso 1 1 calc R U . . .
H19B H 0.208806 0.764098 0.811064 0.077 Uiso 1 1 calc R U . . .
H19C H 0.255535 0.704898 0.796924 0.077 Uiso 1 1 calc R U . . .
C20 C 0.35742(15) 0.78747(10) 0.80659(9) 0.0487(6) Uani 1 1 d . . . . .
H20A H 0.381030 0.748453 0.813144 0.073 Uiso 1 1 calc R U . . .
H20B H 0.334017 0.801019 0.842913 0.073 Uiso 1 1 calc R U . . .
H20C H 0.394502 0.816895 0.794438 0.073 Uiso 1 1 calc R U . . .
F1 F 0.23706(6) 0.46794(5) 0.52056(4) 0.0318(2) Uani 1 1 d . . . . .
F2 F 0.13089(7) 0.39328(6) 0.54644(5) 0.0395(3) Uani 1 1 d . . . . .
F3 F 0.05719(7) 0.33202(6) 0.46126(6) 0.0440(3) Uani 1 1 d . . . . .
F4 F 0.09461(6) 0.35022(5) 0.34705(5) 0.0392(3) Uani 1 1 d . . . . .
F5 F 0.20541(6) 0.42205(5) 0.31904(4) 0.0314(2) Uani 1 1 d . . . . .
F6 F 0.18184(6) 0.57789(5) 0.44509(5) 0.0342(2) Uani 1 1 d . . . . .
F7 F 0.08599(7) 0.64811(6) 0.38959(6) 0.0482(3) Uani 1 1 d . . . . .
F8 F 0.08200(7) 0.65120(6) 0.27024(6) 0.0516(3) Uani 1 1 d . . . . .
F9 F 0.18044(7) 0.58372(6) 0.20798(5) 0.0439(3) Uani 1 1 d . . . . .
F10 F 0.28003(6) 0.51849(5) 0.26146(4) 0.0351(2) Uani 1 1 d . . . . .
F11 F 0.31257(6) 0.63351(5) 0.42472(5) 0.0342(2) Uani 1 1 d . . . . .
F12 F 0.39295(8) 0.67616(6) 0.51081(5) 0.0454(3) Uani 1 1 d . . . . .
F13 F 0.46454(7) 0.60132(6) 0.58594(5) 0.0481(3) Uani 1 1 d . . . . .
F14 F 0.45383(7) 0.47977(6) 0.57052(5) 0.0441(3) Uani 1 1 d . . . . .
F15 F 0.37518(6) 0.43503(5) 0.48198(5) 0.0330(2) Uani 1 1 d . . . . .
F16 F 0.40124(6) 0.56882(5) 0.33732(5) 0.0350(2) Uani 1 1 d . . . . .
F17 F 0.51775(7) 0.53120(6) 0.27698(5) 0.0446(3) Uani 1 1 d . . . . .
F18 F 0.53779(7) 0.41133(7) 0.25603(5) 0.0465(3) Uani 1 1 d . . . . .
F19 F 0.44178(7) 0.33038(6) 0.30222(6) 0.0449(3) Uani 1 1 d . . . . .
F20 F 0.32901(6) 0.36624(5) 0.36637(5) 0.0335(2) Uani 1 1 d . . . . .
C21 C 0.23013(9) 0.44877(8) 0.41785(7) 0.0243(3) Uani 1 1 d . . . . .
C22 C 0.20642(10) 0.43888(8) 0.47485(7) 0.0256(3) Uani 1 1 d . . . . .
C23 C 0.14995(10) 0.40013(8) 0.48988(8) 0.0290(4) Uani 1 1 d . . . . .
C24 C 0.11249(10) 0.36939(9) 0.44737(9) 0.0318(4) Uani 1 1 d . . . . .
C25 C 0.13235(10) 0.37828(8) 0.38978(8) 0.0300(4) Uani 1 1 d . . . . .
C26 C 0.18937(10) 0.41635(8) 0.37663(7) 0.0260(3) Uani 1 1 d . . . . .
C27 C 0.23828(10) 0.54544(8) 0.35727(7) 0.0253(3) Uani 1 1 d . . . . .
C28 C 0.18544(10) 0.57945(8) 0.38581(8) 0.0287(4) Uani 1 1 d . . . . .
C29 C 0.13407(11) 0.61513(9) 0.35816(9) 0.0346(4) Uani 1 1 d . . . . .
C30 C 0.13181(11) 0.61687(9) 0.29795(9) 0.0368(4) Uani 1 1 d . . . . .
C31 C 0.18177(11) 0.58323(9) 0.26715(8) 0.0333(4) Uani 1 1 d . . . . .
C32 C 0.23386(10) 0.54916(8) 0.29647(8) 0.0278(4) Uani 1 1 d . . . . .
C33 C 0.33670(9) 0.53137(8) 0.44954(7) 0.0245(3) Uani 1 1 d . . . . .
C34 C 0.34527(10) 0.59207(8) 0.45946(7) 0.0271(4) Uani 1 1 d . . . . .
C35 C 0.38764(11) 0.61622(9) 0.50415(8) 0.0323(4) Uani 1 1 d . . . . .
C36 C 0.42410(11) 0.57856(10) 0.54180(8) 0.0338(4) Uani 1 1 d . . . . .
C37 C 0.41873(10) 0.51731(9) 0.53385(8) 0.0318(4) Uani 1 1 d . . . . .
C38 C 0.37690(10) 0.49554(8) 0.48815(7) 0.0267(3) Uani 1 1 d . . . . .
C39 C 0.35784(10) 0.46998(8) 0.35458(7) 0.0249(3) Uani 1 1 d . . . . .
C40 C 0.40951(10) 0.50880(8) 0.33025(7) 0.0279(4) Uani 1 1 d . . . . .
C41 C 0.46952(10) 0.49067(10) 0.29805(8) 0.0325(4) Uani 1 1 d . . . . .
C42 C 0.47983(10) 0.43037(10) 0.28753(8) 0.0332(4) Uani 1 1 d . . . . .
C43 C 0.43104(11) 0.38962(9) 0.31062(8) 0.0318(4) Uani 1 1 d . . . . .
C44 C 0.37232(10) 0.40996(8) 0.34380(7) 0.0271(3) Uani 1 1 d . . . . .
B1 B 0.29148(11) 0.49880(9) 0.39510(8) 0.0232(4) Uani 1 1 d . . . . .
C45 C 0.46769(17) 0.48238(13) 0.13654(11) 0.0584(7) Uani 1 1 d . . . . .
H45A H 0.471525 0.438459 0.135430 0.088 Uiso 1 1 calc R U . . .
H45B H 0.415783 0.494119 0.134953 0.088 Uiso 1 1 calc R U . . .
H45C H 0.489680 0.497428 0.172853 0.088 Uiso 1 1 calc R U . . .
C46 C 0.50805(13) 0.50892(10) 0.08447(9) 0.0415(5) Uani 1 1 d . . . . .
H46A H 0.561041 0.499412 0.088048 0.050 Uiso 1 1 calc R U . . .
H46B H 0.502834 0.553206 0.085458 0.050 Uiso 1 1 calc R U . . .
C47 C 0.48040(11) 0.48595(9) 0.02584(8) 0.0347(4) Uani 1 1 d . . . . .
H47A H 0.486995 0.441808 0.024306 0.042 Uiso 1 1 calc R U . . .
H47B H 0.427108 0.494432 0.022652 0.042 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 H1A 1.49(2) . ?
Ge1 H1B 1.45(2) . ?
Ge1 N1 2.2628(15) . ?
Ge1 N2 2.2720(14) . ?
Ge1 C1 1.8952(18) . ?
N1 C7 1.503(2) . ?
N1 C9 1.523(3) . ?
N1 C12 1.523(3) . ?
N2 C8 1.501(2) . ?
N2 C15 1.517(2) . ?
N2 C18 1.522(2) . ?
C1 C2 1.393(2) . ?
C1 C6 1.390(2) . ?
C2 C3 1.381(3) . ?
C2 C7 1.509(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.395(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.392(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.385(3) . ?
C6 C8 1.509(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9 1.0000 . ?
C9 C10 1.527(3) . ?
C9 C11 1.532(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12 1.0000 . ?
C12 C13 1.533(3) . ?
C12 C14 1.522(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15 1.0000 . ?
C15 C16 1.527(3) . ?
C15 C17 1.525(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18 1.0000 . ?
C18 C19 1.526(3) . ?
C18 C20 1.524(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
F1 C22 1.349(2) . ?
F2 C23 1.347(2) . ?
F3 C24 1.343(2) . ?
F4 C25 1.347(2) . ?
F5 C26 1.354(2) . ?
F6 C28 1.356(2) . ?
F7 C29 1.348(2) . ?
F8 C30 1.343(2) . ?
F9 C31 1.352(2) . ?
F10 C32 1.345(2) . ?
F11 C34 1.354(2) . ?
F12 C35 1.346(2) . ?
F13 C36 1.347(2) . ?
F14 C37 1.344(2) . ?
F15 C38 1.354(2) . ?
F16 C40 1.353(2) . ?
F17 C41 1.347(2) . ?
F18 C42 1.345(2) . ?
F19 C43 1.346(2) . ?
F20 C44 1.354(2) . ?
C21 C22 1.389(2) . ?
C21 C26 1.399(2) . ?
C21 B1 1.660(3) . ?
C22 C23 1.384(3) . ?
C23 C24 1.369(3) . ?
C24 C25 1.379(3) . ?
C25 C26 1.372(3) . ?
C27 C28 1.386(3) . ?
C27 C32 1.394(2) . ?
C27 B1 1.661(3) . ?
C28 C29 1.379(3) . ?
C29 C30 1.377(3) . ?
C30 C31 1.371(3) . ?
C31 C32 1.386(3) . ?
C33 C34 1.378(3) . ?
C33 C38 1.396(2) . ?
C33 B1 1.658(2) . ?
C34 C35 1.387(3) . ?
C35 C36 1.372(3) . ?
C36 C37 1.378(3) . ?
C37 C38 1.380(3) . ?
C39 C40 1.392(3) . ?
C39 C44 1.383(3) . ?
C39 B1 1.650(3) . ?
C40 C41 1.376(3) . ?
C41 C42 1.376(3) . ?
C42 C43 1.374(3) . ?
C43 C44 1.386(3) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C45 C46 1.517(3) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C47 1.519(3) . ?
C47 C47 1.514(4) 5_665 ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
H1A Ge1 H1B 111.9(13) . . ?
N1 Ge1 H1A 92.4(8) . . ?
N1 Ge1 H1B 96.1(9) . . ?
N1 Ge1 N2 164.62(6) . . ?
N2 Ge1 H1A 98.9(8) . . ?
N2 Ge1 H1B 89.4(9) . . ?
C1 Ge1 H1A 123.3(9) . . ?
C1 Ge1 H1B 124.8(9) . . ?
C1 Ge1 N1 82.84(7) . . ?
C1 Ge1 N2 82.23(7) . . ?
C7 N1 Ge1 106.60(11) . . ?
C7 N1 C9 109.78(15) . . ?
C7 N1 C12 108.87(15) . . ?
C9 N1 Ge1 110.53(11) . . ?
C12 N1 Ge1 109.84(11) . . ?
C12 N1 C9 111.11(15) . . ?
C8 N2 Ge1 107.05(10) . . ?
C8 N2 C15 109.17(14) . . ?
C8 N2 C18 109.98(14) . . ?
C15 N2 Ge1 111.65(11) . . ?
C15 N2 C18 111.47(14) . . ?
C18 N2 Ge1 107.42(11) . . ?
C2 C1 Ge1 118.76(13) . . ?
C6 C1 Ge1 119.55(13) . . ?
C6 C1 C2 121.67(17) . . ?
C1 C2 C7 118.92(17) . . ?
C3 C2 C1 118.97(17) . . ?
C3 C2 C7 122.12(17) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 119.93(17) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.56(18) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.1 . . ?
C6 C5 C4 119.87(18) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C8 118.74(16) . . ?
C5 C6 C1 118.96(17) . . ?
C5 C6 C8 122.30(16) . . ?
N1 C7 C2 112.44(15) . . ?
N1 C7 H7A 109.1 . . ?
N1 C7 H7B 109.1 . . ?
C2 C7 H7A 109.1 . . ?
C2 C7 H7B 109.1 . . ?
H7A C7 H7B 107.8 . . ?
N2 C8 C6 112.37(14) . . ?
N2 C8 H8A 109.1 . . ?
N2 C8 H8B 109.1 . . ?
C6 C8 H8A 109.1 . . ?
C6 C8 H8B 109.1 . . ?
H8A C8 H8B 107.9 . . ?
N1 C9 H9 107.2 . . ?
N1 C9 C10 112.41(17) . . ?
N1 C9 C11 113.23(17) . . ?
C10 C9 H9 107.2 . . ?
C10 C9 C11 109.39(18) . . ?
C11 C9 H9 107.2 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 H12 107.1 . . ?
N1 C12 C13 111.43(17) . . ?
C13 C12 H12 107.1 . . ?
C14 C12 N1 113.04(17) . . ?
C14 C12 H12 107.1 . . ?
C14 C12 C13 110.7(2) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 H15 107.6 . . ?
N2 C15 C16 111.40(15) . . ?
N2 C15 C17 111.97(16) . . ?
C16 C15 H15 107.6 . . ?
C17 C15 H15 107.6 . . ?
C17 C15 C16 110.59(18) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 H18 107.1 . . ?
N2 C18 C19 111.59(17) . . ?
N2 C18 C20 113.83(17) . . ?
C19 C18 H18 107.1 . . ?
C20 C18 H18 107.1 . . ?
C20 C18 C19 109.86(18) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 112.65(16) . . ?
C22 C21 B1 127.48(15) . . ?
C26 C21 B1 119.42(15) . . ?
F1 C22 C21 121.45(16) . . ?
F1 C22 C23 114.38(15) . . ?
C23 C22 C21 124.15(16) . . ?
F2 C23 C22 119.98(17) . . ?
F2 C23 C24 119.73(17) . . ?
C24 C23 C22 120.28(17) . . ?
F3 C24 C23 120.95(17) . . ?
F3 C24 C25 120.69(17) . . ?
C23 C24 C25 118.35(17) . . ?
F4 C25 C24 119.46(17) . . ?
F4 C25 C26 120.84(17) . . ?
C26 C25 C24 119.70(17) . . ?
F5 C26 C21 119.47(16) . . ?
F5 C26 C25 115.69(15) . . ?
C25 C26 C21 124.84(16) . . ?
C28 C27 C32 113.36(16) . . ?
C28 C27 B1 120.01(15) . . ?
C32 C27 B1 126.09(16) . . ?
F6 C28 C27 119.29(16) . . ?
F6 C28 C29 116.07(17) . . ?
C29 C28 C27 124.64(17) . . ?
F7 C29 C28 120.56(18) . . ?
F7 C29 C30 119.83(18) . . ?
C30 C29 C28 119.60(19) . . ?
F8 C30 C29 120.5(2) . . ?
F8 C30 C31 121.02(19) . . ?
C31 C30 C29 118.52(18) . . ?
F9 C31 C30 119.79(17) . . ?
F9 C31 C32 119.98(18) . . ?
C30 C31 C32 120.23(18) . . ?
F10 C32 C27 121.75(16) . . ?
F10 C32 C31 114.64(16) . . ?
C31 C32 C27 123.60(18) . . ?
C34 C33 C38 113.35(16) . . ?
C34 C33 B1 127.44(15) . . ?
C38 C33 B1 118.97(16) . . ?
F11 C34 C33 121.40(15) . . ?
F11 C34 C35 114.31(16) . . ?
C33 C34 C35 124.29(17) . . ?
F12 C35 C34 120.46(18) . . ?
F12 C35 C36 119.99(17) . . ?
C36 C35 C34 119.55(18) . . ?
F13 C36 C35 120.24(19) . . ?
F13 C36 C37 120.61(18) . . ?
C35 C36 C37 119.15(17) . . ?
F14 C37 C36 119.90(17) . . ?
F14 C37 C38 121.02(18) . . ?
C36 C37 C38 119.08(17) . . ?
F15 C38 C33 119.34(15) . . ?
F15 C38 C37 116.14(16) . . ?
C37 C38 C33 124.51(18) . . ?
C40 C39 B1 118.46(16) . . ?
C44 C39 C40 113.54(16) . . ?
C44 C39 B1 127.88(16) . . ?
F16 C40 C39 119.30(16) . . ?
F16 C40 C41 116.17(17) . . ?
C41 C40 C39 124.53(18) . . ?
F17 C41 C40 120.74(19) . . ?
F17 C41 C42 120.11(17) . . ?
C42 C41 C40 119.15(18) . . ?
F18 C42 C41 120.49(19) . . ?
F18 C42 C43 120.26(19) . . ?
C43 C42 C41 119.24(17) . . ?
F19 C43 C42 119.85(17) . . ?
F19 C43 C44 120.63(18) . . ?
C42 C43 C44 119.50(18) . . ?
F20 C44 C39 121.00(16) . . ?
F20 C44 C43 114.98(17) . . ?
C39 C44 C43 124.01(18) . . ?
C21 B1 C27 100.97(13) . . ?
C33 B1 C21 113.06(13) . . ?
C33 B1 C27 113.96(14) . . ?
C39 B1 C21 114.00(14) . . ?
C39 B1 C27 112.13(14) . . ?
C39 B1 C33 103.17(13) . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C46 C45 H45A 109.5 . . ?
C46 C45 H45B 109.5 . . ?
C46 C45 H45C 109.5 . . ?
C45 C46 H46A 108.8 . . ?
C45 C46 H46B 108.8 . . ?
C45 C46 C47 113.59(19) . . ?
H46A C46 H46B 107.7 . . ?
C47 C46 H46A 108.8 . . ?
C47 C46 H46B 108.8 . . ?
C46 C47 H47A 109.0 . . ?
C46 C47 H47B 109.0 . . ?
C47 C47 C46 113.1(2) 5_665 . ?
C47 C47 H47A 109.0 5_665 . ?
C47 C47 H47B 109.0 5_665 . ?
H47A C47 H47B 107.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ge1 N1 C7 C2 6.88(19) . . . . ?
Ge1 N1 C9 C10 62.74(18) . . . . ?
Ge1 N1 C9 C11 -172.66(14) . . . . ?
Ge1 N1 C12 C13 -55.44(19) . . . . ?
Ge1 N1 C12 C14 70.03(19) . . . . ?
Ge1 N2 C8 C6 -2.11(18) . . . . ?
Ge1 N2 C15 C16 -57.29(18) . . . . ?
Ge1 N2 C15 C17 67.14(17) . . . . ?
Ge1 N2 C18 C19 63.77(17) . . . . ?
Ge1 N2 C18 C20 -171.18(14) . . . . ?
Ge1 C1 C2 C3 -179.70(14) . . . . ?
Ge1 C1 C2 C7 0.6(2) . . . . ?
Ge1 C1 C6 C5 177.96(14) . . . . ?
Ge1 C1 C6 C8 -1.9(2) . . . . ?
N1 Ge1 C1 C2 2.85(14) . . . . ?
N1 Ge1 C1 C6 -175.89(15) . . . . ?
N2 Ge1 C1 C2 179.13(15) . . . . ?
N2 Ge1 C1 C6 0.39(14) . . . . ?
C1 C2 C3 C4 1.5(3) . . . . ?
C1 C2 C7 N1 -5.6(3) . . . . ?
C1 C6 C8 N2 2.7(2) . . . . ?
C2 C1 C6 C5 -0.7(3) . . . . ?
C2 C1 C6 C8 179.44(17) . . . . ?
C2 C3 C4 C5 -0.3(3) . . . . ?
C3 C2 C7 N1 174.65(17) . . . . ?
C3 C4 C5 C6 -1.5(3) . . . . ?
C4 C5 C6 C1 2.0(3) . . . . ?
C4 C5 C6 C8 -178.23(19) . . . . ?
C5 C6 C8 N2 -177.11(17) . . . . ?
C6 C1 C2 C3 -1.0(3) . . . . ?
C6 C1 C2 C7 179.27(17) . . . . ?
C7 N1 C9 C10 -54.6(2) . . . . ?
C7 N1 C9 C11 70.0(2) . . . . ?
C7 N1 C12 C13 60.9(2) . . . . ?
C7 N1 C12 C14 -173.60(17) . . . . ?
C7 C2 C3 C4 -178.80(19) . . . . ?
C8 N2 C15 C16 60.9(2) . . . . ?
C8 N2 C15 C17 -174.71(15) . . . . ?
C8 N2 C18 C19 -52.4(2) . . . . ?
C8 N2 C18 C20 72.6(2) . . . . ?
C9 N1 C7 C2 126.62(17) . . . . ?
C9 N1 C12 C13 -178.05(17) . . . . ?
C9 N1 C12 C14 -52.6(2) . . . . ?
C12 N1 C7 C2 -111.55(18) . . . . ?
C12 N1 C9 C10 -175.05(16) . . . . ?
C12 N1 C9 C11 -50.5(2) . . . . ?
C15 N2 C8 C6 -123.11(16) . . . . ?
C15 N2 C18 C19 -173.62(16) . . . . ?
C15 N2 C18 C20 -48.6(2) . . . . ?
C18 N2 C8 C6 114.29(17) . . . . ?
C18 N2 C15 C16 -177.44(16) . . . . ?
C18 N2 C15 C17 -53.0(2) . . . . ?
F1 C22 C23 F2 -1.2(2) . . . . ?
F1 C22 C23 C24 177.77(16) . . . . ?
F2 C23 C24 F3 -0.5(3) . . . . ?
F2 C23 C24 C25 178.72(17) . . . . ?
F3 C24 C25 F4 1.6(3) . . . . ?
F3 C24 C25 C26 -179.55(17) . . . . ?
F4 C25 C26 F5 -1.6(3) . . . . ?
F4 C25 C26 C21 177.97(17) . . . . ?
F6 C28 C29 F7 2.9(3) . . . . ?
F6 C28 C29 C30 -176.89(17) . . . . ?
F7 C29 C30 F8 0.0(3) . . . . ?
F7 C29 C30 C31 179.48(18) . . . . ?
F8 C30 C31 F9 -1.0(3) . . . . ?
F8 C30 C31 C32 178.50(18) . . . . ?
F9 C31 C32 F10 -0.1(3) . . . . ?
F9 C31 C32 C27 -178.96(17) . . . . ?
F11 C34 C35 F12 0.9(3) . . . . ?
F11 C34 C35 C36 -179.31(17) . . . . ?
F12 C35 C36 F13 0.8(3) . . . . ?
F12 C35 C36 C37 -179.22(18) . . . . ?
F13 C36 C37 F14 0.3(3) . . . . ?
F13 C36 C37 C38 -179.94(17) . . . . ?
F14 C37 C38 F15 -1.6(3) . . . . ?
F14 C37 C38 C33 177.57(17) . . . . ?
F16 C40 C41 F17 2.2(3) . . . . ?
F16 C40 C41 C42 -177.85(16) . . . . ?
F17 C41 C42 F18 -0.3(3) . . . . ?
F17 C41 C42 C43 178.39(16) . . . . ?
F18 C42 C43 F19 0.7(3) . . . . ?
F18 C42 C43 C44 178.91(16) . . . . ?
F19 C43 C44 F20 0.5(2) . . . . ?
F19 C43 C44 C39 179.74(16) . . . . ?
C21 C22 C23 F2 179.79(16) . . . . ?
C21 C22 C23 C24 -1.3(3) . . . . ?
C22 C21 C26 F5 179.07(15) . . . . ?
C22 C21 C26 C25 -0.5(3) . . . . ?
C22 C21 B1 C27 -111.85(18) . . . . ?
C22 C21 B1 C33 10.3(3) . . . . ?
C22 C21 B1 C39 127.73(18) . . . . ?
C22 C23 C24 F3 -179.45(17) . . . . ?
C22 C23 C24 C25 -0.2(3) . . . . ?
C23 C24 C25 F4 -177.63(17) . . . . ?
C23 C24 C25 C26 1.2(3) . . . . ?
C24 C25 C26 F5 179.54(16) . . . . ?
C24 C25 C26 C21 -0.9(3) . . . . ?
C26 C21 C22 F1 -177.41(16) . . . . ?
C26 C21 C22 C23 1.6(3) . . . . ?
C26 C21 B1 C27 59.79(19) . . . . ?
C26 C21 B1 C33 -178.06(15) . . . . ?
C26 C21 B1 C39 -60.6(2) . . . . ?
C27 C28 C29 F7 -178.06(17) . . . . ?
C27 C28 C29 C30 2.2(3) . . . . ?
C28 C27 C32 F10 -179.05(16) . . . . ?
C28 C27 C32 C31 -0.2(3) . . . . ?
C28 C27 B1 C21 66.24(19) . . . . ?
C28 C27 B1 C33 -55.3(2) . . . . ?
C28 C27 B1 C39 -172.02(16) . . . . ?
C28 C29 C30 F8 179.77(18) . . . . ?
C28 C29 C30 C31 -0.7(3) . . . . ?
C29 C30 C31 F9 179.49(17) . . . . ?
C29 C30 C31 C32 -1.0(3) . . . . ?
C30 C31 C32 F10 -179.58(17) . . . . ?
C30 C31 C32 C27 1.5(3) . . . . ?
C32 C27 C28 F6 177.40(16) . . . . ?
C32 C27 C28 C29 -1.6(3) . . . . ?
C32 C27 B1 C21 -104.69(19) . . . . ?
C32 C27 B1 C33 133.80(18) . . . . ?
C32 C27 B1 C39 17.1(2) . . . . ?
C33 C34 C35 F12 -179.89(17) . . . . ?
C33 C34 C35 C36 -0.1(3) . . . . ?
C34 C33 C38 F15 -177.92(15) . . . . ?
C34 C33 C38 C37 2.9(3) . . . . ?
C34 C33 B1 C21 -127.39(18) . . . . ?
C34 C33 B1 C27 -12.8(2) . . . . ?
C34 C33 B1 C39 109.00(19) . . . . ?
C34 C35 C36 F13 -178.97(17) . . . . ?
C34 C35 C36 C37 1.0(3) . . . . ?
C35 C36 C37 F14 -179.69(18) . . . . ?
C35 C36 C37 C38 0.1(3) . . . . ?
C36 C37 C38 F15 178.60(17) . . . . ?
C36 C37 C38 C33 -2.2(3) . . . . ?
C38 C33 C34 F11 177.41(15) . . . . ?
C38 C33 C34 C35 -1.8(3) . . . . ?
C38 C33 B1 C21 58.7(2) . . . . ?
C38 C33 B1 C27 173.21(15) . . . . ?
C38 C33 B1 C39 -64.95(19) . . . . ?
C39 C40 C41 F17 -178.69(16) . . . . ?
C39 C40 C41 C42 1.3(3) . . . . ?
C40 C39 C44 F20 177.35(15) . . . . ?
C40 C39 C44 C43 -1.8(2) . . . . ?
C40 C39 B1 C21 176.01(14) . . . . ?
C40 C39 B1 C27 62.1(2) . . . . ?
C40 C39 B1 C33 -61.00(19) . . . . ?
C40 C41 C42 F18 179.75(16) . . . . ?
C40 C41 C42 C43 -1.6(3) . . . . ?
C41 C42 C43 F19 -177.91(16) . . . . ?
C41 C42 C43 C44 0.2(3) . . . . ?
C42 C43 C44 F20 -177.65(15) . . . . ?
C42 C43 C44 C39 1.6(3) . . . . ?
C44 C39 C40 F16 179.52(15) . . . . ?
C44 C39 C40 C41 0.4(3) . . . . ?
C44 C39 B1 C21 -8.3(2) . . . . ?
C44 C39 B1 C27 -122.24(18) . . . . ?
C44 C39 B1 C33 114.70(18) . . . . ?
B1 C21 C22 F1 -5.3(3) . . . . ?
B1 C21 C22 C23 173.66(17) . . . . ?
B1 C21 C26 F5 6.3(2) . . . . ?
B1 C21 C26 C25 -173.30(17) . . . . ?
B1 C27 C28 F6 5.4(3) . . . . ?
B1 C27 C28 C29 -173.66(17) . . . . ?
B1 C27 C32 F10 -7.6(3) . . . . ?
B1 C27 C32 C31 171.23(17) . . . . ?
B1 C33 C34 F11 3.2(3) . . . . ?
B1 C33 C34 C35 -175.99(17) . . . . ?
B1 C33 C38 F15 -3.1(2) . . . . ?
B1 C33 C38 C37 177.71(17) . . . . ?
B1 C39 C40 F16 -4.2(2) . . . . ?
B1 C39 C40 C41 176.70(16) . . . . ?
B1 C39 C44 F20 1.5(3) . . . . ?
B1 C39 C44 C43 -177.73(16) . . . . ?
C45 C46 C47 C47 178.4(2) . . . 5_665 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
