#------------------------------------------------------------------------------
#$Date: 2021-09-06 14:10:33 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268759 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/76/7707613.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7707613
loop_
_publ_author_name
'Garg, Palak'
'Dange, Deepak'
'Jones, Cameron'
_publ_section_title
;
 Bulky arene-bridged bis(amide) and bis(amidinate) complexes of
 germanium(II) and tin(II).
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9118
_journal_page_last               9122
_journal_paper_doi               10.1039/d1dt01642c
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C72.5 H98.5 Cl2 Ge2 N4 O'
_chemical_formula_weight         1258.13
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-06-08 deposited with the CCDC.	2021-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 118.703(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   30.4822(13)
_cell_length_b                   18.7316(3)
_cell_length_c                   31.0548(10)
_cell_measurement_reflns_used    29301
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      30.4620
_cell_measurement_theta_min      3.3390
_cell_volume                     15552.8(11)
_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    xseed
_computing_publication_material  Ciftab
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            39107
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         3.351
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.881
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83854
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.075
_exptl_crystal_description       block
_exptl_crystal_F_000             5340
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.270
_refine_diff_density_max         1.264
_refine_diff_density_min         -0.462
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         13955
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0771
_refine_ls_R_factor_gt           0.0598
_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)+(0.1220P)²+18.3977P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1736
_refine_ls_wR_factor_ref         0.1860
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10959
_reflns_number_total             13955
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01642c2.cif
_cod_data_source_block           Cj1498
_cod_depositor_comments
'Adding full bibliography for 7707610--7707619.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C72.50 H98.50 Cl2 Ge2 N4 O'
_cod_database_code               7707613
_shelx_shelxl_version_number     2016/6
_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.
;
_shelx_estimated_absorpt_t_min   0.772
_shelx_estimated_absorpt_t_max   0.797
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.79042(2) 0.40901(2) 0.52717(2) 0.03187(13) Uani 1 1 d . . . . .
Cl1 Cl 0.81269(4) 0.49232(6) 0.58586(3) 0.0451(2) Uani 1 1 d . . . . .
O1 O 0.76078(9) 0.44790(11) 0.35620(8) 0.0261(5) Uani 1 1 d . . . . .
N1 N 0.72696(12) 0.45511(14) 0.47401(10) 0.0286(6) Uani 1 1 d . . . . .
C1 C 0.67495(14) 0.44533(18) 0.45530(13) 0.0315(8) Uani 1 1 d . . . . .
Ge2 Ge 0.88816(2) 0.28238(2) 0.35600(2) 0.03185(13) Uani 1 1 d . . . . .
Cl2 Cl 0.87559(4) 0.18846(5) 0.30615(4) 0.0452(3) Uani 1 1 d . . . . .
N2 N 0.80041(11) 0.47133(14) 0.47908(10) 0.0287(6) Uani 1 1 d . . . . .
C2 C 0.65161(16) 0.48638(18) 0.47658(14) 0.0366(8) Uani 1 1 d . . . . .
N3 N 0.85560(12) 0.36060(15) 0.30530(10) 0.0302(6) Uani 1 1 d . . . . .
C3 C 0.60146(17) 0.4748(2) 0.46130(17) 0.0459(10) Uani 1 1 d . . . . .
H3 H 0.585573 0.501436 0.475980 0.055 Uiso 1 1 calc R U . . .
N4 N 0.81505(11) 0.29975(15) 0.33464(10) 0.0292(6) Uani 1 1 d . . . . .
C4 C 0.57415(19) 0.4261(2) 0.42555(19) 0.0558(12) Uani 1 1 d . . . . .
H4 H 0.539632 0.419396 0.415307 0.067 Uiso 1 1 calc R U . . .
C5 C 0.59742(17) 0.3861(2) 0.40423(17) 0.0493(10) Uani 1 1 d . . . . .
H5 H 0.578353 0.352201 0.379510 0.059 Uiso 1 1 calc R U . . .
C6 C 0.64752(15) 0.39485(19) 0.41829(14) 0.0358(8) Uani 1 1 d . . . . .
C7 C 0.67066(17) 0.3493(2) 0.39410(14) 0.0394(9) Uani 1 1 d . . . . .
H7 H 0.706611 0.363194 0.408131 0.047 Uiso 1 1 calc R U . . .
C8 C 0.6686(2) 0.2703(2) 0.40578(19) 0.0531(12) Uani 1 1 d . . . . .
H8A H 0.686028 0.263365 0.441445 0.080 Uiso 1 1 calc R U . . .
H8B H 0.684776 0.241483 0.391053 0.080 Uiso 1 1 calc R U . . .
H8C H 0.633611 0.255418 0.392320 0.080 Uiso 1 1 calc R U . . .
C9 C 0.6450(2) 0.3609(3) 0.33798(16) 0.0556(12) Uani 1 1 d . . . . .
H9A H 0.664762 0.337848 0.324651 0.083 Uiso 1 1 calc R U . . .
H9B H 0.642558 0.412172 0.330929 0.083 Uiso 1 1 calc R U . . .
H9C H 0.611387 0.340047 0.322772 0.083 Uiso 1 1 calc R U . . .
C10 C 0.68028(16) 0.54330(19) 0.51534(15) 0.0381(9) Uani 1 1 d . . . . .
H10 H 0.714453 0.547583 0.518621 0.046 Uiso 1 1 calc R U . . .
C11 C 0.68618(19) 0.5231(2) 0.56570(16) 0.0500(11) Uani 1 1 d . . . . .
H11A H 0.653093 0.519542 0.563514 0.075 Uiso 1 1 calc R U . . .
H11B H 0.705852 0.559830 0.589755 0.075 Uiso 1 1 calc R U . . .
H11C H 0.703367 0.477045 0.576030 0.075 Uiso 1 1 calc R U . . .
C12 C 0.6545(2) 0.6169(2) 0.49995(18) 0.0533(11) Uani 1 1 d . . . . .
H12A H 0.651133 0.630267 0.467980 0.080 Uiso 1 1 calc R U . . .
H12B H 0.674809 0.652664 0.524502 0.080 Uiso 1 1 calc R U . . .
H12C H 0.621347 0.614349 0.497594 0.080 Uiso 1 1 calc R U . . .
C13 C 0.75161(14) 0.48069(16) 0.45107(12) 0.0279(7) Uani 1 1 d . . . . .
C14 C 0.84119(14) 0.51379(18) 0.48389(12) 0.0305(8) Uani 1 1 d . . . . .
C15 C 0.88641(14) 0.47794(18) 0.49513(13) 0.0322(8) Uani 1 1 d . . . . .
C16 C 0.92847(16) 0.5182(2) 0.50483(14) 0.0417(9) Uani 1 1 d . . . . .
H16 H 0.959082 0.494563 0.513059 0.050 Uiso 1 1 calc R U . . .
C17 C 0.92657(17) 0.5917(2) 0.50272(16) 0.0446(10) Uani 1 1 d . . . . .
H17 H 0.955280 0.618385 0.508111 0.053 Uiso 1 1 calc R U . . .
C18 C 0.88309(17) 0.6261(2) 0.49282(15) 0.0416(9) Uani 1 1 d . . . . .
H18 H 0.882191 0.676778 0.491535 0.050 Uiso 1 1 calc R U . . .
C19 C 0.83998(15) 0.58894(18) 0.48455(13) 0.0341(8) Uani 1 1 d . . . . .
C20 C 0.79607(16) 0.63317(18) 0.48013(13) 0.0355(8) Uani 1 1 d . . . . .
H20 H 0.768809 0.599518 0.475876 0.043 Uiso 1 1 calc R U . . .
C21 C 0.81170(18) 0.6762(2) 0.52797(15) 0.0462(10) Uani 1 1 d . . . . .
H21A H 0.824560 0.643443 0.556000 0.069 Uiso 1 1 calc R U . . .
H21B H 0.782598 0.701795 0.525653 0.069 Uiso 1 1 calc R U . . .
H21C H 0.837804 0.710580 0.532483 0.069 Uiso 1 1 calc R U . . .
C22 C 0.77534(18) 0.6827(2) 0.43536(15) 0.0455(10) Uani 1 1 d . . . . .
H22A H 0.800367 0.719102 0.440074 0.068 Uiso 1 1 calc R U . . .
H22B H 0.744872 0.705992 0.431527 0.068 Uiso 1 1 calc R U . . .
H22C H 0.767528 0.654773 0.405867 0.068 Uiso 1 1 calc R U . . .
C23 C 0.89104(15) 0.3974(2) 0.50026(14) 0.0371(8) Uani 1 1 d . . . . .
H23 H 0.856772 0.376419 0.481545 0.044 Uiso 1 1 calc R U . . .
C24 C 0.91265(17) 0.3756(2) 0.55426(16) 0.0477(10) Uani 1 1 d . . . . .
H24A H 0.947325 0.392174 0.572785 0.072 Uiso 1 1 calc R U . . .
H24B H 0.911738 0.323486 0.556588 0.072 Uiso 1 1 calc R U . . .
H24C H 0.892711 0.397172 0.567914 0.072 Uiso 1 1 calc R U . . .
C25 C 0.92363(18) 0.3657(2) 0.47975(17) 0.0483(10) Uani 1 1 d . . . . .
H25A H 0.911367 0.382192 0.445937 0.072 Uiso 1 1 calc R U . . .
H25B H 0.922019 0.313496 0.480192 0.072 Uiso 1 1 calc R U . . .
H25C H 0.958339 0.381257 0.500016 0.072 Uiso 1 1 calc R U . . .
C26 C 0.72418(14) 0.51372(17) 0.40160(12) 0.0295(7) Uani 1 1 d . . . . .
C27 C 0.68713(15) 0.56353(18) 0.39463(14) 0.0346(8) Uani 1 1 d . . . . .
H27 H 0.681533 0.574046 0.421532 0.041 Uiso 1 1 calc R U . . .
C28 C 0.65812(16) 0.59840(19) 0.35037(14) 0.0376(9) Uani 1 1 d . . . . .
H28 H 0.633436 0.631827 0.347548 0.045 Uiso 1 1 calc R U . . .
C29 C 0.66522(15) 0.58435(19) 0.31035(14) 0.0360(8) Uani 1 1 d . . . . .
H29 H 0.646261 0.608608 0.280075 0.043 Uiso 1 1 calc R U . . .
C30 C 0.70072(14) 0.53397(17) 0.31571(12) 0.0300(7) Uani 1 1 d . . . . .
C31 C 0.72942(13) 0.49904(16) 0.35992(12) 0.0269(7) Uani 1 1 d . . . . .
C32 C 0.75090(14) 0.45198(18) 0.30726(12) 0.0296(7) Uani 1 1 d . . . . .
C33 C 0.71561(14) 0.50444(18) 0.28185(13) 0.0321(8) Uani 1 1 d . . . . .
C34 C 0.70191(16) 0.5212(2) 0.23318(14) 0.0392(9) Uani 1 1 d . . . . .
H34 H 0.677563 0.556863 0.215890 0.047 Uiso 1 1 calc R U . . .
C35 C 0.72484(17) 0.4843(2) 0.21106(13) 0.0425(9) Uani 1 1 d . . . . .
H35 H 0.716783 0.494941 0.178159 0.051 Uiso 1 1 calc R U . . .
C36 C 0.75965(16) 0.4319(2) 0.23683(13) 0.0384(9) Uani 1 1 d . . . . .
H36 H 0.774512 0.407055 0.220418 0.046 Uiso 1 1 calc R U . . .
C37 C 0.77439(14) 0.41294(18) 0.28562(13) 0.0309(8) Uani 1 1 d . . . . .
C38 C 0.81367(14) 0.35764(18) 0.30846(12) 0.0311(8) Uani 1 1 d . . . . .
C39 C 0.87125(14) 0.41743(18) 0.28547(13) 0.0323(8) Uani 1 1 d . . . . .
C40 C 0.88756(15) 0.48286(19) 0.30959(13) 0.0349(8) Uani 1 1 d . . . . .
C41 C 0.90246(16) 0.5357(2) 0.28761(15) 0.0426(9) Uani 1 1 d . . . . .
H41 H 0.913380 0.580664 0.303385 0.051 Uiso 1 1 calc R U . . .
C42 C 0.90159(17) 0.5238(2) 0.24362(15) 0.0463(10) Uani 1 1 d . . . . .
H42 H 0.911937 0.560531 0.229346 0.056 Uiso 1 1 calc R U . . .
C43 C 0.88580(17) 0.4589(2) 0.21983(15) 0.0438(9) Uani 1 1 d . . . . .
H43 H 0.885641 0.451285 0.189513 0.053 Uiso 1 1 calc R U . . .
C44 C 0.87007(15) 0.4044(2) 0.24004(14) 0.0365(8) Uani 1 1 d . . . . .
C45 C 0.85391(17) 0.3330(2) 0.21425(14) 0.0429(9) Uani 1 1 d . . . . .
H45 H 0.837129 0.305785 0.229971 0.052 Uiso 1 1 calc R U . . .
C46 C 0.8164(2) 0.3405(3) 0.15949(15) 0.0584(12) Uani 1 1 d . . . . .
H46A H 0.787992 0.369562 0.155519 0.088 Uiso 1 1 calc R U . . .
H46B H 0.804593 0.293133 0.145288 0.088 Uiso 1 1 calc R U . . .
H46C H 0.832808 0.363707 0.142670 0.088 Uiso 1 1 calc R U . . .
C47 C 0.8998(2) 0.2898(2) 0.22136(19) 0.0567(12) Uani 1 1 d . . . . .
H47A H 0.916325 0.314524 0.205218 0.085 Uiso 1 1 calc R U . . .
H47B H 0.889148 0.242284 0.206880 0.085 Uiso 1 1 calc R U . . .
H47C H 0.923263 0.285128 0.256505 0.085 Uiso 1 1 calc R U . . .
C48 C 0.89196(15) 0.4966(2) 0.36023(14) 0.0374(8) Uani 1 1 d . . . . .
H48 H 0.878135 0.453931 0.368962 0.045 Uiso 1 1 calc R U . . .
C49 C 0.86195(17) 0.5609(2) 0.36027(17) 0.0473(10) Uani 1 1 d . . . . .
H49A H 0.877014 0.604359 0.355481 0.071 Uiso 1 1 calc R U . . .
H49B H 0.861900 0.563674 0.391763 0.071 Uiso 1 1 calc R U . . .
H49C H 0.827502 0.556411 0.333602 0.071 Uiso 1 1 calc R U . . .
C50 C 0.94678(17) 0.5031(3) 0.39823(15) 0.0498(10) Uani 1 1 d . . . . .
H50A H 0.964219 0.458743 0.399040 0.075 Uiso 1 1 calc R U . . .
H50B H 0.949652 0.511714 0.430610 0.075 Uiso 1 1 calc R U . . .
H50C H 0.961839 0.542978 0.389559 0.075 Uiso 1 1 calc R U . . .
C51 C 0.77548(15) 0.25275(18) 0.32867(14) 0.0346(8) Uani 1 1 d . . . . .
C52 C 0.78007(16) 0.21990(18) 0.37146(15) 0.0367(9) Uani 1 1 d . . . . .
C53 C 0.74632(18) 0.1674(2) 0.36694(17) 0.0474(10) Uani 1 1 d . . . . .
H53 H 0.749680 0.144143 0.395566 0.057 Uiso 1 1 calc R U . . .
C54 C 0.7074(2) 0.1478(2) 0.32116(19) 0.0560(12) Uani 1 1 d . . . . .
H54 H 0.683889 0.112560 0.318542 0.067 Uiso 1 1 calc R U . . .
C55 C 0.70367(18) 0.1803(2) 0.27998(18) 0.0537(11) Uani 1 1 d . . . . .
H55 H 0.676937 0.167235 0.248821 0.064 Uiso 1 1 calc R U . . .
C56 C 0.73769(16) 0.2317(2) 0.28225(15) 0.0416(9) Uani 1 1 d . . . . .
C57 C 0.73298(17) 0.2582(2) 0.23367(15) 0.0450(10) Uani 1 1 d . . . . .
H57 H 0.760053 0.294120 0.241517 0.054 Uiso 1 1 calc R U . . .
C58 C 0.6824(2) 0.2961(3) 0.20242(19) 0.0668(14) Uani 1 1 d . . . . .
H58A H 0.682242 0.318458 0.173846 0.100 Uiso 1 1 calc R U . . .
H58B H 0.677504 0.332708 0.222259 0.100 Uiso 1 1 calc R U . . .
H58C H 0.655210 0.261014 0.191325 0.100 Uiso 1 1 calc R U . . .
C59 C 0.7402(2) 0.1979(3) 0.20431(18) 0.0625(13) Uani 1 1 d . . . . .
H59A H 0.773496 0.176743 0.223754 0.094 Uiso 1 1 calc R U . . .
H59B H 0.737252 0.217116 0.173670 0.094 Uiso 1 1 calc R U . . .
H59C H 0.714649 0.161179 0.196757 0.094 Uiso 1 1 calc R U . . .
C60 C 0.82422(17) 0.2353(2) 0.42196(15) 0.0406(9) Uani 1 1 d . . . . .
H60 H 0.839372 0.281712 0.420053 0.049 Uiso 1 1 calc R U . . .
C61 C 0.8085(2) 0.2421(3) 0.46202(17) 0.0574(13) Uani 1 1 d . . . . .
H61A H 0.783824 0.280490 0.453302 0.086 Uiso 1 1 calc R U . . .
H61B H 0.837896 0.253147 0.493502 0.086 Uiso 1 1 calc R U . . .
H61C H 0.793732 0.196991 0.464773 0.086 Uiso 1 1 calc R U . . .
C62 C 0.86424(19) 0.1771(2) 0.43600(18) 0.0549(11) Uani 1 1 d . . . . .
H62A H 0.893178 0.188972 0.467640 0.082 Uiso 1 1 calc R U . . .
H62B H 0.874707 0.174073 0.410746 0.082 Uiso 1 1 calc R U . . .
H62C H 0.850405 0.131053 0.438590 0.082 Uiso 1 1 calc R U . . .
C63 C 0.9391(6) 0.0221(7) 0.3918(4) 0.105(5) Uiso 0.5 1 d D . P . .
H63A H 0.923277 -0.023975 0.390566 0.158 Uiso 0.5 1 calc R U P . .
H63B H 0.913539 0.056402 0.370652 0.158 Uiso 0.5 1 calc R U P . .
H63C H 0.963731 0.016051 0.380317 0.158 Uiso 0.5 1 calc R U P . .
C64 C 0.9641(5) 0.0485(5) 0.4423(4) 0.091(4) Uiso 0.5 1 d D . P . .
H64A H 0.989146 0.012779 0.463441 0.109 Uiso 0.5 1 calc R U P . .
H64B H 0.939036 0.053064 0.453792 0.109 Uiso 0.5 1 calc R U P . .
C65 C 0.9902(3) 0.1200(4) 0.4490(3) 0.053(2) Uiso 0.5 1 d D . P . .
H65A H 1.016370 0.115791 0.438911 0.064 Uiso 0.5 1 calc R U P . .
H65B H 0.965676 0.156257 0.427813 0.064 Uiso 0.5 1 calc R U P . .
C66 C 1.0135(4) 0.1434(4) 0.5016(3) 0.061(2) Uiso 0.5 1 d D . P . .
H66A H 0.987646 0.141968 0.512154 0.073 Uiso 0.5 1 calc R U P . .
H66B H 1.039822 0.108570 0.521890 0.073 Uiso 0.5 1 calc R U P . .
C67 C 1.0360(4) 0.2159(4) 0.5115(3) 0.061(2) Uiso 0.5 1 d D . P . .
H67A H 1.009517 0.251425 0.492921 0.073 Uiso 0.5 1 calc R U P . .
H67B H 1.060811 0.218511 0.499492 0.073 Uiso 0.5 1 calc R U P . .
C68 C 1.0616(8) 0.2351(9) 0.5657(5) 0.162(8) Uiso 0.5 1 d D . P . .
H68A H 1.075787 0.283261 0.570227 0.242 Uiso 0.5 1 calc R U P . .
H68B H 1.037124 0.233729 0.577593 0.242 Uiso 0.5 1 calc R U P . .
H68C H 1.088429 0.200808 0.584166 0.242 Uiso 0.5 1 calc R U P . .
C69 C 0.9621(3) 0.4853(3) 0.1530(3) 0.0910(19) Uiso 1 1 d . . . . .
H69A H 0.965764 0.497186 0.124163 0.137 Uiso 1 1 calc R U . . .
H69B H 0.979951 0.520613 0.178879 0.137 Uiso 1 1 calc R U . . .
H69C H 0.926547 0.485565 0.143971 0.137 Uiso 1 1 calc R U . . .
C70 C 0.9836(3) 0.4122(3) 0.1714(2) 0.0785(16) Uiso 1 1 d . . . . .
H70A H 1.018702 0.411746 0.177825 0.094 Uiso 1 1 calc R U . . .
H70B H 0.984051 0.403887 0.203084 0.094 Uiso 1 1 calc R U . . .
C71 C 0.9566(3) 0.3520(3) 0.1378(2) 0.0816(17) Uiso 1 1 d . . . . .
H71A H 0.956205 0.360949 0.106236 0.098 Uiso 1 1 calc R U . . .
H71B H 0.921411 0.353417 0.131223 0.098 Uiso 1 1 calc R U . . .
C72 C 0.9757(3) 0.2784(3) 0.1539(3) 0.0815(17) Uiso 1 1 d . . . . .
H72A H 0.981173 0.272166 0.187758 0.098 Uiso 1 1 calc R U . . .
H72B H 1.008789 0.274850 0.155367 0.098 Uiso 1 1 calc R U . . .
C73 C 0.9448(3) 0.2173(3) 0.1241(3) 0.0913(19) Uiso 1 1 d . . . . .
H73A H 0.941892 0.220381 0.090989 0.110 Uiso 1 1 calc R U . . .
H73B H 0.910754 0.222403 0.120140 0.110 Uiso 1 1 calc R U . . .
C74 C 0.9641(4) 0.1444(5) 0.1445(4) 0.124(3) Uiso 1 1 d . . . . .
H74A H 1.000415 0.143093 0.157641 0.187 Uiso 1 1 calc R U . . .
H74B H 0.948319 0.108755 0.118422 0.187 Uiso 1 1 calc R U . . .
H74C H 0.956057 0.133845 0.170877 0.187 Uiso 1 1 calc R U . . .
C75 C 0.9622(10) 0.7389(16) 0.3272(8) 0.100(8) Uiso 0.25 1 d D . P . .
H75A H 0.976405 0.733124 0.362793 0.150 Uiso 0.25 1 calc R U P . .
H75B H 0.955662 0.789577 0.318704 0.150 Uiso 0.25 1 calc R U P . .
H75C H 0.930818 0.712057 0.310420 0.150 Uiso 0.25 1 calc R U P . .
C76 C 0.9987(9) 0.7110(16) 0.3114(6) 0.103(9) Uiso 0.25 1 d D . P . .
H76A H 1.030602 0.737600 0.328990 0.124 Uiso 0.25 1 calc R U P . .
H76B H 1.005759 0.660085 0.320706 0.124 Uiso 0.25 1 calc R U P . .
C77 C 0.9794(4) 0.7181(19) 0.2569(4) 0.125(11) Uiso 0.25 1 d D . P . .
H77A H 0.960189 0.763134 0.245437 0.150 Uiso 0.25 1 calc R U P . .
H77B H 0.956246 0.678130 0.239964 0.150 Uiso 0.25 1 calc R U P . .
C78 C 0.9220(8) -0.0397(14) 0.2852(10) 0.094(8) Uiso 0.25 1 d D . P . .
H78A H 0.923033 -0.074155 0.309374 0.141 Uiso 0.25 1 calc R U P . .
H78B H 0.917629 0.008540 0.294743 0.141 Uiso 0.25 1 calc R U P . .
H78C H 0.893996 -0.051102 0.252822 0.141 Uiso 0.25 1 calc R U P . .
C79 C 0.9700(7) -0.0433(11) 0.2830(8) 0.077(6) Uiso 0.25 1 d D . P . .
H79A H 0.997943 -0.033202 0.316203 0.093 Uiso 0.25 1 calc R U P . .
H79B H 0.974376 -0.092677 0.274398 0.093 Uiso 0.25 1 calc R U P . .
C80 C 0.9741(3) 0.0058(12) 0.2480(6) 0.085(7) Uiso 0.25 1 d D . P . .
H80A H 0.966058 0.054843 0.253879 0.102 Uiso 0.25 1 calc R U P . .
H80B H 0.949198 -0.007950 0.214187 0.102 Uiso 0.25 1 calc R U P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N2 Ge1 N1 65.14(12) . . ?
N2 Ge1 Cl1 95.97(8) . . ?
N1 Ge1 Cl1 99.36(8) . . ?
N2 Ge1 C13 32.43(12) . . ?
N1 Ge1 C13 33.05(11) . . ?
Cl1 Ge1 C13 102.61(8) . . ?
C31 O1 C32 104.7(2) . . ?
C13 N1 C1 128.9(3) . . ?
C13 N1 Ge1 91.5(2) . . ?
C1 N1 Ge1 136.0(2) . . ?
C2 C1 C6 120.8(4) . . ?
C2 C1 N1 117.1(3) . . ?
C6 C1 N1 122.0(3) . . ?
N4 Ge2 N3 65.02(11) . . ?
N4 Ge2 Cl2 95.93(8) . . ?
N3 Ge2 Cl2 99.93(8) . . ?
N4 Ge2 C38 32.93(11) . . ?
N3 Ge2 C38 32.52(12) . . ?
Cl2 Ge2 C38 103.36(8) . . ?
C13 N2 C14 130.1(3) . . ?
C13 N2 Ge1 92.4(2) . . ?
C14 N2 Ge1 132.6(2) . . ?
C3 C2 C1 118.5(4) . . ?
C3 C2 C10 119.9(3) . . ?
C1 C2 C10 121.5(4) . . ?
C38 N3 C39 126.7(3) . . ?
C38 N3 Ge2 92.4(2) . . ?
C39 N3 Ge2 137.4(2) . . ?
C4 C3 C2 121.6(4) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C38 N4 C51 129.7(3) . . ?
C38 N4 Ge2 92.2(2) . . ?
C51 N4 Ge2 132.1(2) . . ?
C3 C4 C5 119.5(4) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C6 C5 C4 121.5(4) . . ?
C6 C5 H5 119.2 . . ?
C4 C5 H5 119.2 . . ?
C5 C6 C1 118.0(4) . . ?
C5 C6 C7 118.9(4) . . ?
C1 C6 C7 123.1(4) . . ?
C6 C7 C8 110.1(3) . . ?
C6 C7 C9 112.0(4) . . ?
C8 C7 C9 110.3(4) . . ?
C6 C7 H7 108.1 . . ?
C8 C7 H7 108.1 . . ?
C9 C7 H7 108.1 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C2 C10 C11 111.9(3) . . ?
C2 C10 C12 111.4(4) . . ?
C11 C10 C12 109.2(3) . . ?
C2 C10 H10 108.0 . . ?
C11 C10 H10 108.0 . . ?
C12 C10 H10 108.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 N1 109.9(3) . . ?
N2 C13 C26 129.1(3) . . ?
N1 C13 C26 121.0(3) . . ?
N2 C13 Ge1 55.20(16) . . ?
N1 C13 Ge1 55.49(17) . . ?
C26 C13 Ge1 171.3(2) . . ?
C19 C14 C15 119.9(3) . . ?
C19 C14 N2 122.2(3) . . ?
C15 C14 N2 117.3(3) . . ?
C16 C15 C14 118.9(3) . . ?
C16 C15 C23 119.1(3) . . ?
C14 C15 C23 121.8(3) . . ?
C17 C16 C15 121.2(4) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C18 C17 C16 119.6(4) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C19 122.0(4) . . ?
C17 C18 H18 119.0 . . ?
C19 C18 H18 119.0 . . ?
C18 C19 C14 118.1(4) . . ?
C18 C19 C20 117.0(3) . . ?
C14 C19 C20 124.8(3) . . ?
C19 C20 C22 111.9(3) . . ?
C19 C20 C21 110.1(3) . . ?
C22 C20 C21 110.9(3) . . ?
C19 C20 H20 107.9 . . ?
C22 C20 H20 107.9 . . ?
C21 C20 H20 107.9 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C15 C23 C25 112.8(3) . . ?
C15 C23 C24 110.4(3) . . ?
C25 C23 C24 109.1(3) . . ?
C15 C23 H23 108.1 . . ?
C25 C23 H23 108.1 . . ?
C24 C23 H23 108.1 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C31 115.4(3) . . ?
C27 C26 C13 116.7(3) . . ?
C31 C26 C13 127.9(3) . . ?
C28 C27 C26 123.3(3) . . ?
C28 C27 H27 118.3 . . ?
C26 C27 H27 118.3 . . ?
C29 C28 C27 119.9(3) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C30 C29 C28 118.1(3) . . ?
C30 C29 H29 120.9 . . ?
C28 C29 H29 120.9 . . ?
C29 C30 C31 121.7(3) . . ?
C29 C30 C33 132.5(3) . . ?
C31 C30 C33 105.7(3) . . ?
C30 C31 O1 111.9(3) . . ?
C30 C31 C26 121.5(3) . . ?
O1 C31 C26 126.5(3) . . ?
C33 C32 C37 122.1(3) . . ?
C33 C32 O1 111.0(3) . . ?
C37 C32 O1 126.7(3) . . ?
C32 C33 C34 121.4(3) . . ?
C32 C33 C30 106.6(3) . . ?
C34 C33 C30 131.9(3) . . ?
C35 C34 C33 117.9(3) . . ?
C35 C34 H34 121.1 . . ?
C33 C34 H34 121.1 . . ?
C34 C35 C36 119.9(3) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C37 124.2(3) . . ?
C35 C36 H36 117.9 . . ?
C37 C36 H36 117.9 . . ?
C32 C37 C36 114.4(3) . . ?
C32 C37 C38 128.1(3) . . ?
C36 C37 C38 117.4(3) . . ?
N3 C38 N4 109.1(3) . . ?
N3 C38 C37 121.3(3) . . ?
N4 C38 C37 129.6(3) . . ?
N3 C38 Ge2 55.08(18) . . ?
N4 C38 Ge2 54.92(18) . . ?
C37 C38 Ge2 170.0(3) . . ?
C40 C39 C44 121.2(3) . . ?
C40 C39 N3 122.1(3) . . ?
C44 C39 N3 116.7(3) . . ?
C41 C40 C39 118.4(3) . . ?
C41 C40 C48 119.5(3) . . ?
C39 C40 C48 122.0(3) . . ?
C42 C41 C40 121.1(4) . . ?
C42 C41 H41 119.5 . . ?
C40 C41 H41 119.5 . . ?
C41 C42 C43 120.6(4) . . ?
C41 C42 H42 119.7 . . ?
C43 C42 H42 119.7 . . ?
C42 C43 C44 120.6(4) . . ?
C42 C43 H43 119.7 . . ?
C44 C43 H43 119.7 . . ?
C43 C44 C39 118.2(3) . . ?
C43 C44 C45 120.1(3) . . ?
C39 C44 C45 121.7(3) . . ?
C44 C45 C46 112.7(4) . . ?
C44 C45 C47 110.3(4) . . ?
C46 C45 C47 110.4(4) . . ?
C44 C45 H45 107.8 . . ?
C46 C45 H45 107.8 . . ?
C47 C45 H45 107.8 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 C50 112.1(3) . . ?
C49 C48 C40 112.3(3) . . ?
C50 C48 C40 109.4(3) . . ?
C49 C48 H48 107.6 . . ?
C50 C48 H48 107.6 . . ?
C40 C48 H48 107.6 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C48 C50 H50A 109.5 . . ?
C48 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C48 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C56 C51 C52 120.5(4) . . ?
C56 C51 N4 122.1(3) . . ?
C52 C51 N4 116.8(3) . . ?
C53 C52 C51 118.9(4) . . ?
C53 C52 C60 119.0(4) . . ?
C51 C52 C60 121.7(3) . . ?
C52 C53 C54 121.2(4) . . ?
C52 C53 H53 119.4 . . ?
C54 C53 H53 119.4 . . ?
C55 C54 C53 119.0(4) . . ?
C55 C54 H54 120.5 . . ?
C53 C54 H54 120.5 . . ?
C54 C55 C56 122.2(4) . . ?
C54 C55 H55 118.9 . . ?
C56 C55 H55 118.9 . . ?
C55 C56 C51 118.1(4) . . ?
C55 C56 C57 117.4(4) . . ?
C51 C56 C57 124.4(4) . . ?
C56 C57 C59 112.0(4) . . ?
C56 C57 C58 111.2(4) . . ?
C59 C57 C58 110.5(4) . . ?
C56 C57 H57 107.6 . . ?
C59 C57 H57 107.6 . . ?
C58 C57 H57 107.6 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C52 C60 C62 110.3(3) . . ?
C52 C60 C61 112.5(4) . . ?
C62 C60 C61 110.1(4) . . ?
C52 C60 H60 107.9 . . ?
C62 C60 H60 107.9 . . ?
C61 C60 H60 107.9 . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C60 C62 H62A 109.5 . . ?
C60 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C60 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C63 C64 C65 114.4(8) . . ?
C63 C64 H64A 108.7 . . ?
C65 C64 H64A 108.7 . . ?
C63 C64 H64B 108.7 . . ?
C65 C64 H64B 108.7 . . ?
H64A C64 H64B 107.6 . . ?
C66 C65 C64 110.4(6) . . ?
C66 C65 H65A 109.6 . . ?
C64 C65 H65A 109.6 . . ?
C66 C65 H65B 109.6 . . ?
C64 C65 H65B 109.6 . . ?
H65A C65 H65B 108.1 . . ?
C67 C66 C65 115.0(7) . . ?
C67 C66 H66A 108.5 . . ?
C65 C66 H66A 108.5 . . ?
C67 C66 H66B 108.5 . . ?
C65 C66 H66B 108.5 . . ?
H66A C66 H66B 107.5 . . ?
C66 C67 C68 112.7(8) . . ?
C66 C67 H67A 109.1 . . ?
C68 C67 H67A 109.1 . . ?
C66 C67 H67B 109.1 . . ?
C68 C67 H67B 109.1 . . ?
H67A C67 H67B 107.8 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C70 C69 H69A 109.5 . . ?
C70 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C70 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C71 C70 C69 115.4(6) . . ?
C71 C70 H70A 108.4 . . ?
C69 C70 H70A 108.4 . . ?
C71 C70 H70B 108.4 . . ?
C69 C70 H70B 108.4 . . ?
H70A C70 H70B 107.5 . . ?
C70 C71 C72 118.2(6) . . ?
C70 C71 H71A 107.8 . . ?
C72 C71 H71A 107.8 . . ?
C70 C71 H71B 107.8 . . ?
C72 C71 H71B 107.8 . . ?
H71A C71 H71B 107.1 . . ?
C71 C72 C73 118.4(6) . . ?
C71 C72 H72A 107.7 . . ?
C73 C72 H72A 107.7 . . ?
C71 C72 H72B 107.7 . . ?
C73 C72 H72B 107.7 . . ?
H72A C72 H72B 107.1 . . ?
C72 C73 C74 115.8(7) . . ?
C72 C73 H73A 108.3 . . ?
C74 C73 H73A 108.3 . . ?
C72 C73 H73B 108.3 . . ?
C74 C73 H73B 108.3 . . ?
H73A C73 H73B 107.4 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C76 C75 H75A 109.5 . . ?
C76 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C76 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C77 C76 C75 112.5(10) . . ?
C77 C76 H76A 109.1 . . ?
C75 C76 H76A 109.1 . . ?
C77 C76 H76B 109.1 . . ?
C75 C76 H76B 109.1 . . ?
H76A C76 H76B 107.8 . . ?
C76 C77 C77 112.9(11) . 2_755 ?
C76 C77 H77A 109.0 . . ?
C77 C77 H77A 109.0 2_755 . ?
C76 C77 H77B 109.0 . . ?
C77 C77 H77B 109.0 2_755 . ?
H77A C77 H77B 107.8 . . ?
C79 C78 H78A 109.5 . . ?
C79 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C79 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C80 C79 C78 115.9(10) . . ?
C80 C79 H79A 108.3 . . ?
C78 C79 H79A 108.3 . . ?
C80 C79 H79B 108.3 . . ?
C78 C79 H79B 108.3 . . ?
H79A C79 H79B 107.4 . . ?
C79 C80 C80 113.1(10) . 2_755 ?
C79 C80 H80A 109.0 . . ?
C80 C80 H80A 109.0 2_755 . ?
C79 C80 H80B 109.0 . . ?
C80 C80 H80B 109.0 2_755 . ?
H80A C80 H80B 107.8 . . ?
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 N2 2.030(3) . ?
Ge1 N1 2.036(3) . ?
Ge1 Cl1 2.2426(10) . ?
Ge1 C13 2.470(3) . ?
O1 C31 1.397(4) . ?
O1 C32 1.402(4) . ?
N1 C13 1.348(4) . ?
N1 C1 1.414(5) . ?
C1 C2 1.409(5) . ?
C1 C6 1.411(5) . ?
Ge2 N4 2.023(3) . ?
Ge2 N3 2.027(3) . ?
Ge2 Cl2 2.2512(10) . ?
Ge2 C38 2.470(4) . ?
N2 C13 1.326(5) . ?
N2 C14 1.422(5) . ?
C2 C3 1.383(6) . ?
C2 C10 1.529(5) . ?
N3 C38 1.329(5) . ?
N3 C39 1.422(4) . ?
C3 C4 1.369(7) . ?
C3 H3 0.9500 . ?
N4 C38 1.344(4) . ?
N4 C51 1.432(5) . ?
C4 C5 1.397(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.382(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.517(5) . ?
C7 C8 1.532(5) . ?
C7 C9 1.545(6) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.533(5) . ?
C10 C12 1.543(5) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C26 1.486(5) . ?
C14 C19 1.409(5) . ?
C14 C15 1.418(5) . ?
C15 C16 1.390(5) . ?
C15 C23 1.517(5) . ?
C16 C17 1.379(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.369(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.397(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.523(5) . ?
C20 C22 1.533(5) . ?
C20 C21 1.551(5) . ?
C20 H20 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C25 1.534(5) . ?
C23 C24 1.534(6) . ?
C23 H23 1.0000 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.399(5) . ?
C26 C31 1.406(4) . ?
C27 C28 1.389(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.385(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.384(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.387(5) . ?
C30 C33 1.441(5) . ?
C32 C33 1.389(5) . ?
C32 C37 1.401(5) . ?
C33 C34 1.397(5) . ?
C34 C35 1.378(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(6) . ?
C35 H35 0.9500 . ?
C36 C37 1.403(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.481(5) . ?
C39 C40 1.397(5) . ?
C39 C44 1.415(5) . ?
C40 C41 1.397(5) . ?
C40 C48 1.534(5) . ?
C41 C42 1.372(6) . ?
C41 H41 0.9500 . ?
C42 C43 1.384(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.398(5) . ?
C43 H43 0.9500 . ?
C44 C45 1.514(5) . ?
C45 C46 1.533(6) . ?
C45 C47 1.538(7) . ?
C45 H45 1.0000 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.513(5) . ?
C48 C50 1.518(6) . ?
C48 H48 1.0000 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C56 1.402(6) . ?
C51 C52 1.409(5) . ?
C52 C53 1.381(5) . ?
C52 C60 1.525(6) . ?
C53 C54 1.393(7) . ?
C53 H53 0.9500 . ?
C54 C55 1.370(7) . ?
C54 H54 0.9500 . ?
C55 C56 1.392(6) . ?
C55 H55 0.9500 . ?
C56 C57 1.528(6) . ?
C57 C59 1.533(6) . ?
C57 C58 1.545(7) . ?
C57 H57 1.0000 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 C62 1.535(6) . ?
C60 C61 1.538(5) . ?
C60 H60 1.0000 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C64 1.463(9) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 C65 1.519(8) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.499(8) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.487(8) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.520(9) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.506(8) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C71 1.487(8) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.487(8) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 C73 1.488(9) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.500(10) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C76 1.511(10) . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 C77 1.505(10) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 C77 1.511(10) 2_755 ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 C79 1.498(10) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 C80 1.475(10) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 C80 1.520(10) 2_755 ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
