#------------------------------------------------------------------------------
#$Date: 2021-09-06 13:10:33 +0200 (lun 06 de sep de 2021) $
#$Revision: 268759 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/76/7707619.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_7707619
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            'C195.5 H196 Ge2 N8'
_chemical_formula_weight         2802.77
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -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                108.178(2)
_cell_angle_beta                 95.271(2)
_cell_angle_gamma                93.182(2)
_cell_formula_units_Z            1
_cell_length_a                   14.6822(4)
_cell_length_b                   15.1015(3)
_cell_length_c                   19.6211(4)
_cell_measurement_reflns_used    11220
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      30.3390
_cell_measurement_theta_min      3.4260
_cell_volume                     4099.53(17)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0871
_diffrn_reflns_av_unetI/netI     0.0703
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            58248
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         3.286
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.422
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66853
_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            yellow
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_description       block
_exptl_crystal_F_000             1489
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.230
_refine_diff_density_max         1.171
_refine_diff_density_min         -0.620
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     922
_refine_ls_number_reflns         15217
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.1057
_refine_ls_R_factor_gt           0.0763
_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)+(0.1272P)²+4.8151P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2024
_refine_ls_wR_factor_ref         0.2210
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11213
_reflns_number_total             15217
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01642c2.cif
_cod_data_source_block           Cj1494
_cod_depositor_comments
'Adding full bibliography for 7707610--7707619.cif.'
_cod_original_formula_sum        'C195.50 H196 Ge2 N8'
_cod_database_code               7707619
_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   0.866
_shelx_estimated_absorpt_t_max   0.909
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.57107(3) 0.60394(3) 0.69261(2) 0.02393(14) Uani 1 1 d . . . . .
N1 N 0.5357(2) 0.4780(2) 0.70932(17) 0.0259(7) Uani 1 1 d . . . . .
C1 C 0.5637(3) 0.4283(3) 0.7574(2) 0.0246(8) Uani 1 1 d . . . . .
N2 N 0.4664(2) 0.5190(2) 0.62458(16) 0.0249(7) Uani 1 1 d . . . . .
C2 C 0.5949(3) 0.3385(3) 0.7284(2) 0.0283(9) Uani 1 1 d . . . . .
N3 N 0.6647(2) 0.5856(2) 0.62853(17) 0.0283(7) Uani 1 1 d . . . . .
C3 C 0.6133(3) 0.2857(3) 0.7737(2) 0.0306(9) Uani 1 1 d . . . . .
H30 H 0.631745 0.224421 0.753853 0.037 Uiso 1 1 calc R U . . .
N4 N 0.7550(2) 0.6508(2) 0.73245(17) 0.0237(7) Uani 1 1 d . . . . .
H4 H 0.712882 0.618777 0.746525 0.028 Uiso 1 1 calc R U . . .
C4 C 0.6057(3) 0.3198(3) 0.8478(2) 0.0297(9) Uani 1 1 d . . . . .
C5 C 0.5857(3) 0.4123(3) 0.8757(2) 0.0279(9) Uani 1 1 d . . . . .
H20 H 0.586436 0.438910 0.926474 0.033 Uiso 1 1 calc R U . . .
C6 C 0.5646(3) 0.4675(3) 0.8323(2) 0.0254(8) Uani 1 1 d . . . . .
C7 C 0.5453(3) 0.5698(3) 0.8669(2) 0.0280(9) Uani 1 1 d . . . . .
H13 H 0.556091 0.601969 0.830542 0.034 Uiso 1 1 calc R U . . .
C8 C 0.4467(3) 0.5835(3) 0.8833(2) 0.0313(9) Uani 1 1 d . . . . .
C9 C 0.3959(3) 0.5239(3) 0.9087(2) 0.0360(10) Uani 1 1 d . . . . .
H31 H 0.422394 0.471047 0.915843 0.043 Uiso 1 1 calc R U . . .
C10 C 0.3070(3) 0.5395(4) 0.9243(3) 0.0434(11) Uani 1 1 d . . . . .
H56 H 0.273088 0.497498 0.941890 0.052 Uiso 1 1 calc R U . . .
C11 C 0.2675(3) 0.6160(4) 0.9142(3) 0.0491(13) Uani 1 1 d . . . . .
H66 H 0.206051 0.626070 0.924071 0.059 Uiso 1 1 calc R U . . .
C12 C 0.3165(4) 0.6771(4) 0.8901(3) 0.0485(13) Uani 1 1 d . . . . .
H71 H 0.289662 0.730166 0.883783 0.058 Uiso 1 1 calc R U . . .
C13 C 0.4068(3) 0.6615(3) 0.8747(3) 0.0416(11) Uani 1 1 d . . . . .
H73 H 0.441040 0.704552 0.858336 0.050 Uiso 1 1 calc R U . . .
C14 C 0.6161(3) 0.6167(3) 0.9321(2) 0.0281(9) Uani 1 1 d . . . . .
C15 C 0.5958(3) 0.6462(3) 1.0029(2) 0.0310(9) Uani 1 1 d . . . . .
H22 H 0.534393 0.637657 1.012752 0.037 Uiso 1 1 calc R U . . .
C16 C 0.6636(3) 0.6876(3) 1.0591(2) 0.0398(11) Uani 1 1 d . . . . .
H59 H 0.648383 0.707215 1.107266 0.048 Uiso 1 1 calc R U . . .
C17 C 0.7525(4) 0.7009(3) 1.0463(3) 0.0452(12) Uani 1 1 d . . . . .
H78 H 0.798969 0.729199 1.085385 0.054 Uiso 1 1 calc R U . . .
C18 C 0.7744(3) 0.6728(3) 0.9763(3) 0.0439(11) Uani 1 1 d . . . . .
H64 H 0.836016 0.681801 0.966940 0.053 Uiso 1 1 calc R U . . .
C19 C 0.7069(3) 0.6319(3) 0.9200(2) 0.0348(10) Uani 1 1 d . . . . .
H29 H 0.722441 0.613577 0.871948 0.042 Uiso 1 1 calc R U . . .
C20 C 0.6126(3) 0.3013(3) 0.6492(2) 0.0318(9) Uani 1 1 d . . . . .
H41 H 0.612989 0.356498 0.631263 0.038 Uiso 1 1 calc R U . . .
C21 C 0.7078(3) 0.2657(3) 0.6410(2) 0.0344(10) Uani 1 1 d . . . . .
C22 C 0.7810(3) 0.3063(3) 0.6931(3) 0.0422(11) Uani 1 1 d . . . . .
H65 H 0.770878 0.355513 0.734907 0.051 Uiso 1 1 calc R U . . .
C23 C 0.8683(4) 0.2776(4) 0.6863(3) 0.0523(13) Uani 1 1 d . . . . .
H77 H 0.916747 0.305693 0.723738 0.063 Uiso 1 1 calc R U . . .
C24 C 0.8853(4) 0.2072(4) 0.6243(3) 0.0554(14) Uani 1 1 d . . . . .
H80 H 0.945160 0.187237 0.618739 0.066 Uiso 1 1 calc R U . . .
C25 C 0.8137(4) 0.1677(4) 0.5716(3) 0.0537(14) Uani 1 1 d . . . . .
H89 H 0.824547 0.120409 0.528804 0.064 Uiso 1 1 calc R U . . .
C26 C 0.7254(4) 0.1953(3) 0.5794(2) 0.0439(12) Uani 1 1 d . . . . .
H74 H 0.676627 0.165834 0.542543 0.053 Uiso 1 1 calc R U . . .
C27 C 0.5371(3) 0.2297(3) 0.5999(2) 0.0369(10) Uani 1 1 d . . . . .
C28 C 0.4925(4) 0.1600(3) 0.6211(3) 0.0462(12) Uani 1 1 d . . . . .
H39 H 0.505813 0.158545 0.669065 0.055 Uiso 1 1 calc R U . . .
C29 C 0.4289(4) 0.0927(4) 0.5727(3) 0.0581(15) Uani 1 1 d . . . . .
H86 H 0.399218 0.045736 0.587778 0.070 Uiso 1 1 calc R U . . .
C30 C 0.4086(4) 0.0937(4) 0.5025(3) 0.0579(15) Uani 1 1 d . . . . .
H44 H 0.364842 0.047857 0.469659 0.069 Uiso 1 1 calc R U . . .
C31 C 0.4521(4) 0.1614(4) 0.4808(3) 0.0508(13) Uani 1 1 d . . . . .
H83 H 0.439072 0.161833 0.432617 0.061 Uiso 1 1 calc R U . . .
C32 C 0.5153(3) 0.2295(3) 0.5290(2) 0.0416(11) Uani 1 1 d . . . . .
H48 H 0.543960 0.276618 0.513393 0.050 Uiso 1 1 calc R U . . .
C33 C 0.6216(3) 0.2586(3) 0.8957(2) 0.0332(10) Uani 1 1 d . . . . .
H55 H 0.611935 0.296067 0.945948 0.040 Uiso 1 1 calc R U . . .
C34 C 0.5527(3) 0.1727(3) 0.8718(3) 0.0430(11) Uani 1 1 d . . . . .
H47A H 0.490193 0.192404 0.871632 0.064 Uiso 1 1 calc R U . . .
H47B H 0.561583 0.136683 0.905313 0.064 Uiso 1 1 calc R U . . .
H47C H 0.561818 0.133656 0.823071 0.064 Uiso 1 1 calc R U . . .
C35 C 0.7198(3) 0.2306(3) 0.8974(3) 0.0431(11) Uani 1 1 d . . . . .
H58A H 0.730197 0.190915 0.849164 0.065 Uiso 1 1 calc R U . . .
H58B H 0.729481 0.195895 0.931788 0.065 Uiso 1 1 calc R U . . .
H58C H 0.762927 0.286891 0.912362 0.065 Uiso 1 1 calc R U . . .
C36 C 0.4571(3) 0.4643(3) 0.66657(19) 0.0231(8) Uani 1 1 d . . . . .
C37 C 0.3651(3) 0.4142(3) 0.6726(2) 0.0286(9) Uani 1 1 d . . . . .
C38 C 0.3712(3) 0.3575(3) 0.7255(2) 0.0364(10) Uani 1 1 d . . . . .
H40A H 0.409406 0.305708 0.707924 0.055 Uiso 1 1 calc R U . . .
H40B H 0.309494 0.332429 0.729138 0.055 Uiso 1 1 calc R U . . .
H40C H 0.398704 0.398169 0.773223 0.055 Uiso 1 1 calc R U . . .
C39 C 0.3208(3) 0.3467(3) 0.5996(2) 0.0360(10) Uani 1 1 d . . . . .
H14A H 0.310932 0.381188 0.565066 0.054 Uiso 1 1 calc R U . . .
H14B H 0.261658 0.318427 0.605753 0.054 Uiso 1 1 calc R U . . .
H14C H 0.361369 0.297409 0.581237 0.054 Uiso 1 1 calc R U . . .
C40 C 0.3011(3) 0.4914(3) 0.7010(2) 0.0355(10) Uani 1 1 d . . . . .
H11A H 0.288031 0.523000 0.664921 0.053 Uiso 1 1 calc R U . . .
H11B H 0.330869 0.536991 0.745971 0.053 Uiso 1 1 calc R U . . .
H11C H 0.243476 0.463522 0.710151 0.053 Uiso 1 1 calc R U . . .
C41 C 0.3983(3) 0.4677(3) 0.4991(2) 0.0259(8) Uani 1 1 d . . . . .
H10 H 0.433166 0.414886 0.490260 0.031 Uiso 1 1 calc R U . . .
C42 C 0.4041(3) 0.5315(3) 0.5691(2) 0.0254(8) Uani 1 1 d . . . . .
C43 C 0.3574(3) 0.6118(3) 0.5809(2) 0.0272(8) Uani 1 1 d . . . . .
H2 H 0.362462 0.656767 0.627763 0.033 Uiso 1 1 calc R U . . .
C44 C 0.3032(3) 0.6259(3) 0.5239(2) 0.0313(9) Uani 1 1 d . . . . .
H28 H 0.271302 0.680638 0.532137 0.038 Uiso 1 1 calc R U . . .
C45 C 0.2952(3) 0.5614(3) 0.4552(2) 0.0293(9) Uani 1 1 d . . . . .
H26 H 0.257882 0.571863 0.416757 0.035 Uiso 1 1 calc R U . . .
C46 C 0.6576(3) 0.5196(3) 0.5574(2) 0.0251(8) Uani 1 1 d . . . . .
C47 C 0.7457(3) 0.6398(3) 0.6641(2) 0.0256(8) Uani 1 1 d . . . . .
C48 C 0.8015(3) 0.6903(3) 0.6222(2) 0.0297(9) Uani 1 1 d . . . . .
C49 C 0.8838(3) 0.7557(3) 0.6681(2) 0.0354(10) Uani 1 1 d . . . . .
H12A H 0.862196 0.803050 0.708664 0.053 Uiso 1 1 calc R U . . .
H12B H 0.914620 0.786654 0.638335 0.053 Uiso 1 1 calc R U . . .
H12C H 0.926981 0.719240 0.686690 0.053 Uiso 1 1 calc R U . . .
C50 C 0.8402(3) 0.6228(3) 0.5568(2) 0.0350(10) Uani 1 1 d . . . . .
H46A H 0.789303 0.586286 0.521667 0.052 Uiso 1 1 calc R U . . .
H46B H 0.878327 0.580455 0.573117 0.052 Uiso 1 1 calc R U . . .
H46C H 0.877537 0.659018 0.534084 0.052 Uiso 1 1 calc R U . . .
C51 C 0.7354(3) 0.7499(3) 0.5944(2) 0.0331(9) Uani 1 1 d . . . . .
H32A H 0.683203 0.709307 0.563461 0.050 Uiso 1 1 calc R U . . .
H32B H 0.767577 0.782732 0.566455 0.050 Uiso 1 1 calc R U . . .
H32C H 0.713044 0.795711 0.635411 0.050 Uiso 1 1 calc R U . . .
C52 C 0.8217(3) 0.7059(3) 0.7883(2) 0.0263(8) Uani 1 1 d . . . . .
C53 C 0.8077(3) 0.7977(3) 0.8311(2) 0.0266(8) Uani 1 1 d . . . . .
C54 C 0.8718(3) 0.8442(3) 0.8891(2) 0.0293(9) Uani 1 1 d . . . . .
H50 H 0.862128 0.905793 0.917476 0.035 Uiso 1 1 calc R U . . .
C55 C 0.9504(3) 0.8049(3) 0.9079(2) 0.0311(9) Uani 1 1 d . . . . .
C56 C 0.9595(3) 0.7127(3) 0.8671(2) 0.0295(9) Uani 1 1 d . . . . .
H15 H 1.010642 0.682937 0.879840 0.035 Uiso 1 1 calc R U . . .
C57 C 0.8973(3) 0.6630(3) 0.8090(2) 0.0280(9) Uani 1 1 d . . . . .
C58 C 0.9122(3) 0.5612(3) 0.7672(2) 0.0321(9) Uani 1 1 d . . . . .
H37 H 0.850647 0.529739 0.743003 0.039 Uiso 1 1 calc R U . . .
C59 C 0.9467(3) 0.5080(3) 0.8172(2) 0.0355(10) Uani 1 1 d . . . . .
C60 C 0.8865(4) 0.4826(3) 0.8605(3) 0.0468(12) Uani 1 1 d . . . . .
H57 H 0.824797 0.498225 0.857690 0.056 Uiso 1 1 calc R U . . .
C61 C 0.9155(5) 0.4349(4) 0.9077(3) 0.0606(15) Uani 1 1 d . . . . .
H72 H 0.873944 0.419129 0.937370 0.073 Uiso 1 1 calc R U . . .
C62 C 1.0042(5) 0.4106(4) 0.9115(4) 0.071(2) Uani 1 1 d . . . . .
H88 H 1.024248 0.378331 0.943815 0.086 Uiso 1 1 calc R U . . .
C63 C 1.0637(4) 0.4333(4) 0.8682(4) 0.0671(18) Uani 1 1 d . . . . .
H87 H 1.124479 0.414983 0.869922 0.081 Uiso 1 1 calc R U . . .
C64 C 1.0362(3) 0.4828(3) 0.8219(3) 0.0495(13) Uani 1 1 d . . . . .
H69 H 1.078802 0.499388 0.793361 0.059 Uiso 1 1 calc R U . . .
C65 C 0.9741(3) 0.5535(3) 0.7076(2) 0.0358(10) Uani 1 1 d . . . . .
C66 C 1.0491(3) 0.6170(3) 0.7145(3) 0.0414(11) Uani 1 1 d . . . . .
H42 H 1.061687 0.669086 0.757302 0.050 Uiso 1 1 calc R U . . .
C67 C 1.1067(4) 0.6064(4) 0.6601(3) 0.0565(14) Uani 1 1 d . . . . .
H51 H 1.157553 0.650846 0.665736 0.068 Uiso 1 1 calc R U . . .
C68 C 1.0884(4) 0.5302(4) 0.5981(3) 0.0602(15) Uani 1 1 d . . . . .
H90 H 1.126641 0.522110 0.560431 0.072 Uiso 1 1 calc R U . . .
C69 C 1.0146(4) 0.4656(4) 0.5906(3) 0.0545(14) Uani 1 1 d . . . . .
H81 H 1.002494 0.413288 0.547845 0.065 Uiso 1 1 calc R U . . .
C70 C 0.9583(3) 0.4762(3) 0.6446(3) 0.0426(11) Uani 1 1 d . . . . .
H34 H 0.908376 0.430752 0.639028 0.051 Uiso 1 1 calc R U . . .
C71 C 0.7221(3) 0.8450(3) 0.8161(2) 0.0297(9) Uani 1 1 d . . . . .
H33 H 0.676703 0.794361 0.783352 0.036 Uiso 1 1 calc R U . . .
C72 C 0.6777(3) 0.8879(3) 0.8851(2) 0.0301(9) Uani 1 1 d . . . . .
C73 C 0.6934(3) 0.9824(3) 0.9257(2) 0.0355(10) Uani 1 1 d . . . . .
H62 H 0.731073 1.023222 0.909561 0.043 Uiso 1 1 calc R U . . .
C74 C 0.6544(4) 1.0172(3) 0.9896(3) 0.0439(11) Uani 1 1 d . . . . .
H76 H 0.665715 1.081658 1.016918 0.053 Uiso 1 1 calc R U . . .
C75 C 0.5997(4) 0.9593(4) 1.0134(3) 0.0525(14) Uani 1 1 d . . . . .
H54 H 0.574305 0.982907 1.057704 0.063 Uiso 1 1 calc R U . . .
C76 C 0.5818(4) 0.8663(4) 0.9724(3) 0.0536(14) Uani 1 1 d . . . . .
H84 H 0.542809 0.826025 0.988111 0.064 Uiso 1 1 calc R U . . .
C77 C 0.6200(3) 0.8315(3) 0.9091(3) 0.0458(12) Uani 1 1 d . . . . .
H67 H 0.606503 0.767474 0.881284 0.055 Uiso 1 1 calc R U . . .
C78 C 0.7363(3) 0.9178(3) 0.7772(2) 0.0334(10) Uani 1 1 d . . . . .
C79 C 0.8184(4) 0.9670(3) 0.7799(3) 0.0425(11) Uani 1 1 d . . . . .
H24 H 0.871467 0.956148 0.806670 0.051 Uiso 1 1 calc R U . . .
C80 C 0.8249(4) 1.0330(3) 0.7439(3) 0.0549(14) Uani 1 1 d . . . . .
H79 H 0.882498 1.066381 0.746066 0.066 Uiso 1 1 calc R U . . .
C81 C 0.7492(5) 1.0502(4) 0.7053(3) 0.0587(16) Uani 1 1 d . . . . .
H82 H 0.754291 1.094606 0.680262 0.070 Uiso 1 1 calc R U . . .
C82 C 0.6665(4) 1.0032(3) 0.7032(3) 0.0513(14) Uani 1 1 d . . . . .
H75 H 0.613467 1.015696 0.677240 0.062 Uiso 1 1 calc R U . . .
C83 C 0.6594(4) 0.9375(3) 0.7386(2) 0.0417(11) Uani 1 1 d . . . . .
H36 H 0.601341 0.905122 0.736605 0.050 Uiso 1 1 calc R U . . .
C84 C 1.0213(3) 0.8601(3) 0.9692(2) 0.0433(12) Uani 1 1 d D . . . .
H84A H 0.996440 0.919880 0.995925 0.052 Uiso 1 1 calc R U . A 1
C85 C 1.1071(6) 0.8834(7) 0.9374(5) 0.095(4) Uani 0.738(12) 1 d D U P B 1
H85A H 1.127043 0.825713 0.905321 0.142 Uiso 0.738(12) 1 calc R U P B 1
H85B H 1.156261 0.913315 0.976562 0.142 Uiso 0.738(12) 1 calc R U P B 1
H85C H 1.093141 0.926104 0.909913 0.142 Uiso 0.738(12) 1 calc R U P B 1
C86 C 1.0471(6) 0.8082(5) 1.0219(4) 0.077(3) Uani 0.738(12) 1 d D U P B 1
H86A H 0.991982 0.791581 1.041505 0.116 Uiso 0.738(12) 1 calc R U P B 1
H86B H 1.091342 0.848241 1.061463 0.116 Uiso 0.738(12) 1 calc R U P B 1
H86C H 1.074767 0.751051 0.996924 0.116 Uiso 0.738(12) 1 calc R U P B 1
C87 C 0.7492(7) 0.1628(6) 0.2508(5) 0.108(3) Uiso 1 1 d . . . . .
H97 H 0.799158 0.178427 0.227928 0.129 Uiso 1 1 calc R U . . .
C88 C 0.6619(8) 0.1539(7) 0.2179(6) 0.123(3) Uiso 1 1 d . . . . .
H5 H 0.652280 0.161998 0.171801 0.147 Uiso 1 1 calc R U . . .
C89 C 0.5957(9) 0.1357(9) 0.2460(7) 0.143(4) Uiso 1 1 d . . . . .
H91 H 0.536177 0.131465 0.221080 0.172 Uiso 1 1 calc R U . . .
C90 C 0.6030(8) 0.1209(7) 0.3126(6) 0.123(3) Uiso 1 1 d . . . . .
H6 H 0.549399 0.106222 0.332053 0.148 Uiso 1 1 calc R U . . .
C91 C 0.6883(6) 0.1276(6) 0.3504(5) 0.098(2) Uiso 1 1 d . . . . .
H3 H 0.694326 0.118017 0.396127 0.117 Uiso 1 1 calc R U . . .
C92 C 0.7664(6) 0.1489(6) 0.3200(5) 0.101(3) Uiso 1 1 d . . . . .
C93 C 0.8592(9) 0.1578(10) 0.3582(8) 0.169(5) Uiso 1 1 d . . . . .
H98A H 0.880524 0.224224 0.380339 0.254 Uiso 1 1 calc R U . . .
H98B H 0.901237 0.127362 0.323824 0.254 Uiso 1 1 calc R U . . .
H98C H 0.857761 0.127867 0.395794 0.254 Uiso 1 1 calc R U . . .
C94 C 0.2425(7) 0.0908(9) -0.2045(7) 0.073(3) Uiso 0.5 1 d D . P . .
H94 H 0.300770 0.069173 -0.196447 0.087 Uiso 0.5 1 calc R U P . .
C95 C 0.2278(8) 0.1463(13) -0.2479(10) 0.120(6) Uiso 0.5 1 d D . P . .
H95 H 0.275670 0.156470 -0.274849 0.144 Uiso 0.5 1 calc R U P . .
C96 C 0.1447(9) 0.1891(11) -0.2545(8) 0.102(5) Uiso 0.5 1 d D . P . .
H96 H 0.139626 0.231001 -0.281870 0.122 Uiso 0.5 1 calc R U P . .
C97 C 0.0696(7) 0.1682(10) -0.2196(8) 0.088(4) Uiso 0.5 1 d D . P . .
H97A H 0.013420 0.195640 -0.223192 0.105 Uiso 0.5 1 calc R U P . .
C98 C 0.0804(7) 0.1051(10) -0.1792(8) 0.095(5) Uiso 0.5 1 d D . P . .
H98 H 0.030942 0.087768 -0.156637 0.113 Uiso 0.5 1 calc R U P . .
C99 C 0.1674(8) 0.0686(9) -0.1733(8) 0.085(4) Uiso 0.5 1 d D . P . .
H99 H 0.174079 0.026454 -0.146312 0.102 Uiso 0.5 1 calc R U P . .
C100 C 1.0127(8) -0.0012(11) 0.5447(7) 0.024(3) Uiso 0.25 1 d D . P C -1
C101 C 1.0117(9) 0.0114(12) 0.4755(6) 0.030(4) Uiso 0.25 1 d D . P C -1
H101 H 0.960430 -0.012787 0.439820 0.036 Uiso 0.25 1 calc R U P C -1
C102 C 1.0895(11) 0.0613(14) 0.4608(7) 0.038(5) Uiso 0.25 1 d D . P C -1
H102 H 1.090852 0.069520 0.414873 0.045 Uiso 0.25 1 calc R U P C -1
C103 C 1.1638(10) 0.0979(13) 0.5149(9) 0.054(5) Uiso 0.25 1 d D . P C -1
H103 H 1.214672 0.131920 0.505220 0.064 Uiso 0.25 1 calc R U P C -1
C104 C 1.1647(12) 0.085(2) 0.5838(10) 0.099(10) Uiso 0.25 1 d D . P C -1
H104 H 1.215065 0.111021 0.619989 0.119 Uiso 0.25 1 calc R U P C -1
C105 C 1.0884(12) 0.0326(19) 0.5974(8) 0.090(9) Uiso 0.25 1 d D . P C -1
H105 H 1.088942 0.020740 0.642251 0.107 Uiso 0.25 1 calc R U P C -1
C106 C 0.9324(11) -0.0549(15) 0.5590(10) 0.043(5) Uiso 0.25 1 d D . P C -1
H10A H 0.885987 -0.073172 0.516766 0.065 Uiso 0.25 1 calc R U P C -1
H10B H 0.952450 -0.111071 0.568693 0.065 Uiso 0.25 1 calc R U P C -1
H10C H 0.905976 -0.015701 0.601046 0.065 Uiso 0.25 1 calc R U P C -1
C85A C 1.1132(12) 0.819(2) 0.9709(15) 0.089(10) Uiso 0.262(12) 1 d D . P B 2
H85D H 1.103240 0.751829 0.962202 0.134 Uiso 0.262(12) 1 calc R U P B 2
H85E H 1.148591 0.849176 1.018211 0.134 Uiso 0.262(12) 1 calc R U P B 2
H85F H 1.147208 0.830650 0.933230 0.134 Uiso 0.262(12) 1 calc R U P B 2
C86A C 0.9772(17) 0.863(2) 1.0376(11) 0.094(11) Uiso 0.262(12) 1 d D . P B 2
H86D H 0.972634 0.800536 1.042368 0.142 Uiso 0.262(12) 1 calc R U P B 2
H86E H 0.915688 0.884733 1.034249 0.142 Uiso 0.262(12) 1 calc R U P B 2
H86F H 1.015102 0.906510 1.079800 0.142 Uiso 0.262(12) 1 calc R U P B 2
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'
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
N3 Ge1 N2 99.33(14) . . ?
N3 Ge1 N1 108.73(13) . . ?
N2 Ge1 N1 62.86(12) . . ?
C36 N1 C1 127.7(3) . . ?
C36 N1 Ge1 92.2(2) . . ?
C1 N1 Ge1 138.6(3) . . ?
C6 C1 C2 119.7(3) . . ?
C6 C1 N1 121.7(3) . . ?
C2 C1 N1 118.6(3) . . ?
C36 N2 C42 130.4(3) . . ?
C36 N2 Ge1 93.7(2) . . ?
C42 N2 Ge1 132.3(3) . . ?
C3 C2 C1 119.0(4) . . ?
C3 C2 C20 119.9(3) . . ?
C1 C2 C20 121.1(3) . . ?
C47 N3 C46 123.8(3) . . ?
C47 N3 Ge1 109.9(2) . . ?
C46 N3 Ge1 126.0(3) . . ?
C2 C3 C4 122.1(4) . . ?
C2 C3 H30 119.0 . . ?
C4 C3 H30 119.0 . . ?
C47 N4 C52 130.5(4) . . ?
C47 N4 H4 114.7 . . ?
C52 N4 H4 114.7 . . ?
C5 C4 C3 117.1(4) . . ?
C5 C4 C33 121.9(4) . . ?
C3 C4 C33 121.0(4) . . ?
C4 C5 C6 122.8(4) . . ?
C4 C5 H20 118.6 . . ?
C6 C5 H20 118.6 . . ?
C5 C6 C1 118.6(3) . . ?
C5 C6 C7 120.0(3) . . ?
C1 C6 C7 121.4(3) . . ?
C8 C7 C14 113.3(3) . . ?
C8 C7 C6 114.7(3) . . ?
C14 C7 C6 109.7(3) . . ?
C8 C7 H13 106.2 . . ?
C14 C7 H13 106.2 . . ?
C6 C7 H13 106.2 . . ?
C9 C8 C13 118.1(4) . . ?
C9 C8 C7 122.9(4) . . ?
C13 C8 C7 118.9(4) . . ?
C8 C9 C10 121.3(4) . . ?
C8 C9 H31 119.3 . . ?
C10 C9 H31 119.3 . . ?
C11 C10 C9 120.0(5) . . ?
C11 C10 H56 120.0 . . ?
C9 C10 H56 120.0 . . ?
C12 C11 C10 120.0(5) . . ?
C12 C11 H66 120.0 . . ?
C10 C11 H66 120.0 . . ?
C11 C12 C13 119.9(4) . . ?
C11 C12 H71 120.0 . . ?
C13 C12 H71 120.0 . . ?
C8 C13 C12 120.5(5) . . ?
C8 C13 H73 119.7 . . ?
C12 C13 H73 119.7 . . ?
C15 C14 C19 117.6(4) . . ?
C15 C14 C7 124.1(4) . . ?
C19 C14 C7 118.3(4) . . ?
C16 C15 C14 120.9(4) . . ?
C16 C15 H22 119.6 . . ?
C14 C15 H22 119.6 . . ?
C17 C16 C15 120.7(4) . . ?
C17 C16 H59 119.6 . . ?
C15 C16 H59 119.6 . . ?
C16 C17 C18 119.6(5) . . ?
C16 C17 H78 120.2 . . ?
C18 C17 H78 120.2 . . ?
C19 C18 C17 119.9(5) . . ?
C19 C18 H64 120.1 . . ?
C17 C18 H64 120.1 . . ?
C18 C19 C14 121.4(4) . . ?
C18 C19 H29 119.3 . . ?
C14 C19 H29 119.3 . . ?
C21 C20 C2 112.1(3) . . ?
C21 C20 C27 111.8(3) . . ?
C2 C20 C27 114.5(4) . . ?
C21 C20 H41 105.9 . . ?
C2 C20 H41 105.9 . . ?
C27 C20 H41 105.9 . . ?
C22 C21 C26 117.5(4) . . ?
C22 C21 C20 120.7(4) . . ?
C26 C21 C20 121.7(4) . . ?
C23 C22 C21 122.1(5) . . ?
C23 C22 H65 118.9 . . ?
C21 C22 H65 118.9 . . ?
C22 C23 C24 119.9(5) . . ?
C22 C23 H77 120.0 . . ?
C24 C23 H77 120.0 . . ?
C25 C24 C23 118.5(5) . . ?
C25 C24 H80 120.7 . . ?
C23 C24 H80 120.7 . . ?
C24 C25 C26 121.3(5) . . ?
C24 C25 H89 119.3 . . ?
C26 C25 H89 119.3 . . ?
C25 C26 C21 120.6(5) . . ?
C25 C26 H74 119.7 . . ?
C21 C26 H74 119.7 . . ?
C32 C27 C28 117.9(4) . . ?
C32 C27 C20 119.1(4) . . ?
C28 C27 C20 122.9(4) . . ?
C29 C28 C27 120.6(5) . . ?
C29 C28 H39 119.7 . . ?
C27 C28 H39 119.7 . . ?
C30 C29 C28 120.6(6) . . ?
C30 C29 H86 119.7 . . ?
C28 C29 H86 119.7 . . ?
C31 C30 C29 119.4(5) . . ?
C31 C30 H44 120.3 . . ?
C29 C30 H44 120.3 . . ?
C30 C31 C32 120.5(5) . . ?
C30 C31 H83 119.7 . . ?
C32 C31 H83 119.7 . . ?
C31 C32 C27 121.0(5) . . ?
C31 C32 H48 119.5 . . ?
C27 C32 H48 119.5 . . ?
C34 C33 C4 111.0(4) . . ?
C34 C33 C35 111.0(4) . . ?
C4 C33 C35 111.4(4) . . ?
C34 C33 H55 107.8 . . ?
C4 C33 H55 107.8 . . ?
C35 C33 H55 107.8 . . ?
C33 C34 H47A 109.5 . . ?
C33 C34 H47B 109.5 . . ?
H47A C34 H47B 109.5 . . ?
C33 C34 H47C 109.5 . . ?
H47A C34 H47C 109.5 . . ?
H47B C34 H47C 109.5 . . ?
C33 C35 H58A 109.5 . . ?
C33 C35 H58B 109.5 . . ?
H58A C35 H58B 109.5 . . ?
C33 C35 H58C 109.5 . . ?
H58A C35 H58C 109.5 . . ?
H58B C35 H58C 109.5 . . ?
N1 C36 N2 106.3(3) . . ?
N1 C36 C37 128.2(3) . . ?
N2 C36 C37 124.3(3) . . ?
C39 C37 C38 106.7(3) . . ?
C39 C37 C40 109.2(3) . . ?
C38 C37 C40 107.2(3) . . ?
C39 C37 C36 112.4(3) . . ?
C38 C37 C36 114.8(3) . . ?
C40 C37 C36 106.3(3) . . ?
C37 C38 H40A 109.5 . . ?
C37 C38 H40B 109.5 . . ?
H40A C38 H40B 109.5 . . ?
C37 C38 H40C 109.5 . . ?
H40A C38 H40C 109.5 . . ?
H40B C38 H40C 109.5 . . ?
C37 C39 H14A 109.5 . . ?
C37 C39 H14B 109.5 . . ?
H14A C39 H14B 109.5 . . ?
C37 C39 H14C 109.5 . . ?
H14A C39 H14C 109.5 . . ?
H14B C39 H14C 109.5 . . ?
C37 C40 H11A 109.5 . . ?
C37 C40 H11B 109.5 . . ?
H11A C40 H11B 109.5 . . ?
C37 C40 H11C 109.5 . . ?
H11A C40 H11C 109.5 . . ?
H11B C40 H11C 109.5 . . ?
C46 C41 C42 120.9(3) 2_666 . ?
C46 C41 H10 119.5 2_666 . ?
C42 C41 H10 119.5 . . ?
C43 C42 C41 119.3(3) . . ?
C43 C42 N2 121.1(3) . . ?
C41 C42 N2 119.1(3) . . ?
C44 C43 C42 119.7(4) . . ?
C44 C43 H2 120.2 . . ?
C42 C43 H2 120.2 . . ?
C45 C44 C43 121.0(4) . . ?
C45 C44 H28 119.5 . . ?
C43 C44 H28 119.5 . . ?
C44 C45 C46 119.8(4) . 2_666 ?
C44 C45 H26 120.1 . . ?
C46 C45 H26 120.1 2_666 . ?
C41 C46 C45 119.1(3) 2_666 2_666 ?
C41 C46 N3 120.9(3) 2_666 . ?
C45 C46 N3 119.9(3) 2_666 . ?
N4 C47 N3 112.3(4) . . ?
N4 C47 C48 128.7(4) . . ?
N3 C47 C48 118.2(3) . . ?
C49 C48 C51 107.9(3) . . ?
C49 C48 C47 114.2(3) . . ?
C51 C48 C47 106.4(3) . . ?
C49 C48 C50 106.2(3) . . ?
C51 C48 C50 108.4(3) . . ?
C47 C48 C50 113.5(3) . . ?
C48 C49 H12A 109.5 . . ?
C48 C49 H12B 109.5 . . ?
H12A C49 H12B 109.5 . . ?
C48 C49 H12C 109.5 . . ?
H12A C49 H12C 109.5 . . ?
H12B C49 H12C 109.5 . . ?
C48 C50 H46A 109.5 . . ?
C48 C50 H46B 109.5 . . ?
H46A C50 H46B 109.5 . . ?
C48 C50 H46C 109.5 . . ?
H46A C50 H46C 109.5 . . ?
H46B C50 H46C 109.5 . . ?
C48 C51 H32A 109.5 . . ?
C48 C51 H32B 109.5 . . ?
H32A C51 H32B 109.5 . . ?
C48 C51 H32C 109.5 . . ?
H32A C51 H32C 109.5 . . ?
H32B C51 H32C 109.5 . . ?
C57 C52 N4 118.4(3) . . ?
C57 C52 C53 118.8(4) . . ?
N4 C52 C53 122.0(3) . . ?
C54 C53 C52 118.9(3) . . ?
C54 C53 C71 119.5(3) . . ?
C52 C53 C71 121.6(3) . . ?
C53 C54 C55 123.1(4) . . ?
C53 C54 H50 118.5 . . ?
C55 C54 H50 118.5 . . ?
C56 C55 C54 116.5(4) . . ?
C56 C55 C84 122.1(4) . . ?
C54 C55 C84 121.3(4) . . ?
C57 C56 C55 122.7(4) . . ?
C57 C56 H15 118.7 . . ?
C55 C56 H15 118.7 . . ?
C56 C57 C52 119.8(3) . . ?
C56 C57 C58 119.3(3) . . ?
C52 C57 C58 120.9(4) . . ?
C59 C58 C65 111.1(3) . . ?
C59 C58 C57 112.0(3) . . ?
C65 C58 C57 113.0(4) . . ?
C59 C58 H37 106.8 . . ?
C65 C58 H37 106.8 . . ?
C57 C58 H37 106.8 . . ?
C64 C59 C60 117.9(4) . . ?
C64 C59 C58 122.9(5) . . ?
C60 C59 C58 119.2(4) . . ?
C61 C60 C59 121.1(5) . . ?
C61 C60 H57 119.4 . . ?
C59 C60 H57 119.4 . . ?
C62 C61 C60 120.0(6) . . ?
C62 C61 H72 120.0 . . ?
C60 C61 H72 120.0 . . ?
C63 C62 C61 119.7(5) . . ?
C63 C62 H88 120.2 . . ?
C61 C62 H88 120.2 . . ?
C62 C63 C64 121.0(5) . . ?
C62 C63 H87 119.5 . . ?
C64 C63 H87 119.5 . . ?
C63 C64 C59 120.3(6) . . ?
C63 C64 H69 119.8 . . ?
C59 C64 H69 119.8 . . ?
C66 C65 C70 117.9(4) . . ?
C66 C65 C58 122.9(4) . . ?
C70 C65 C58 119.0(4) . . ?
C65 C66 C67 121.8(5) . . ?
C65 C66 H42 119.1 . . ?
C67 C66 H42 119.1 . . ?
C68 C67 C66 118.8(6) . . ?
C68 C67 H51 120.6 . . ?
C66 C67 H51 120.6 . . ?
C67 C68 C69 120.1(5) . . ?
C67 C68 H90 119.9 . . ?
C69 C68 H90 119.9 . . ?
C70 C69 C68 120.7(5) . . ?
C70 C69 H81 119.6 . . ?
C68 C69 H81 119.6 . . ?
C69 C70 C65 120.5(5) . . ?
C69 C70 H34 119.7 . . ?
C65 C70 H34 119.7 . . ?
C53 C71 C72 111.3(3) . . ?
C53 C71 C78 115.4(4) . . ?
C72 C71 C78 110.0(3) . . ?
C53 C71 H33 106.5 . . ?
C72 C71 H33 106.5 . . ?
C78 C71 H33 106.5 . . ?
C77 C72 C73 118.0(4) . . ?
C77 C72 C71 119.3(4) . . ?
C73 C72 C71 122.6(4) . . ?
C74 C73 C72 120.4(4) . . ?
C74 C73 H62 119.8 . . ?
C72 C73 H62 119.8 . . ?
C75 C74 C73 120.5(4) . . ?
C75 C74 H76 119.8 . . ?
C73 C74 H76 119.8 . . ?
C74 C75 C76 119.3(5) . . ?
C74 C75 H54 120.3 . . ?
C76 C75 H54 120.3 . . ?
C77 C76 C75 120.4(5) . . ?
C77 C76 H84 119.8 . . ?
C75 C76 H84 119.8 . . ?
C76 C77 C72 121.3(5) . . ?
C76 C77 H67 119.4 . . ?
C72 C77 H67 119.4 . . ?
C79 C78 C83 117.8(4) . . ?
C79 C78 C71 124.4(4) . . ?
C83 C78 C71 117.8(4) . . ?
C78 C79 C80 120.7(5) . . ?
C78 C79 H24 119.7 . . ?
C80 C79 H24 119.7 . . ?
C81 C80 C79 120.7(6) . . ?
C81 C80 H79 119.7 . . ?
C79 C80 H79 119.7 . . ?
C82 C81 C80 119.5(5) . . ?
C82 C81 H82 120.3 . . ?
C80 C81 H82 120.3 . . ?
C81 C82 C83 120.2(5) . . ?
C81 C82 H75 119.9 . . ?
C83 C82 H75 119.9 . . ?
C82 C83 C78 121.1(5) . . ?
C82 C83 H36 119.5 . . ?
C78 C83 H36 119.5 . . ?
C55 C84 C86 113.1(4) . . ?
C55 C84 C85A 115.3(12) . . ?
C55 C84 C85 108.4(5) . . ?
C86 C84 C85 109.2(5) . . ?
C55 C84 C86A 104.6(12) . . ?
C85A C84 C86A 110.0(7) . . ?
C55 C84 H84A 108.7 . . ?
C86 C84 H84A 108.7 . . ?
C85 C84 H84A 108.7 . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C84 C86 H86A 109.5 . . ?
C84 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C84 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C88 C87 C92 120.5(10) . . ?
C88 C87 H97 119.7 . . ?
C92 C87 H97 119.7 . . ?
C89 C88 C87 121.9(12) . . ?
C89 C88 H5 119.1 . . ?
C87 C88 H5 119.1 . . ?
C88 C89 C90 123.2(13) . . ?
C88 C89 H91 118.4 . . ?
C90 C89 H91 118.4 . . ?
C91 C90 C89 119.7(11) . . ?
C91 C90 H6 120.1 . . ?
C89 C90 H6 120.1 . . ?
C90 C91 C92 118.8(9) . . ?
C90 C91 H3 120.6 . . ?
C92 C91 H3 120.6 . . ?
C91 C92 C87 115.9(9) . . ?
C91 C92 C93 121.2(9) . . ?
C87 C92 C93 123.0(10) . . ?
C92 C93 H98A 109.5 . . ?
C92 C93 H98B 109.5 . . ?
H98A C93 H98B 109.5 . . ?
C92 C93 H98C 109.5 . . ?
H98A C93 H98C 109.5 . . ?
H98B C93 H98C 109.5 . . ?
C95 C94 C99 116.2(7) . . ?
C95 C94 H94 121.9 . . ?
C99 C94 H94 121.9 . . ?
C94 C95 C96 123.5(7) . . ?
C94 C95 H95 118.3 . . ?
C96 C95 H95 118.3 . . ?
C97 C96 C95 119.0(6) . . ?
C97 C96 H96 120.5 . . ?
C95 C96 H96 120.5 . . ?
C96 C97 C98 118.5(6) . . ?
C96 C97 H97A 120.7 . . ?
C98 C97 H97A 120.7 . . ?
C97 C98 C99 118.5(5) . . ?
C97 C98 H98 120.8 . . ?
C99 C98 H98 120.8 . . ?
C94 C99 C98 124.0(7) . . ?
C94 C99 H99 118.0 . . ?
C98 C99 H99 118.0 . . ?
C105 C100 C101 121.4(5) . . ?
C105 C100 C106 120.1(6) . . ?
C101 C100 C106 118.4(6) . . ?
C100 C101 C102 118.7(5) . . ?
C100 C101 H101 120.7 . . ?
C102 C101 H101 120.7 . . ?
C103 C102 C101 119.6(6) . . ?
C103 C102 H102 120.2 . . ?
C101 C102 H102 120.2 . . ?
C102 C103 C104 121.6(6) . . ?
C102 C103 H103 119.2 . . ?
C104 C103 H103 119.2 . . ?
C103 C104 C105 118.7(6) . . ?
C103 C104 H104 120.6 . . ?
C105 C104 H104 120.6 . . ?
C100 C105 C104 119.9(6) . . ?
C100 C105 H105 120.1 . . ?
C104 C105 H105 120.1 . . ?
C100 C106 H10A 109.5 . . ?
C100 C106 H10B 109.5 . . ?
H10A C106 H10B 109.5 . . ?
C100 C106 H10C 109.5 . . ?
H10A C106 H10C 109.5 . . ?
H10B C106 H10C 109.5 . . ?
C84 C85A H85D 109.5 . . ?
C84 C85A H85E 109.5 . . ?
H85D C85A H85E 109.5 . . ?
C84 C85A H85F 109.5 . . ?
H85D C85A H85F 109.5 . . ?
H85E C85A H85F 109.5 . . ?
C84 C86A H86D 109.5 . . ?
C84 C86A H86E 109.5 . . ?
H86D C86A H86E 109.5 . . ?
C84 C86A H86F 109.5 . . ?
H86D C86A H86F 109.5 . . ?
H86E C86A H86F 109.5 . . ?
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 N3 1.921(3) . ?
Ge1 N2 2.031(3) . ?
Ge1 N1 2.075(3) . ?
N1 C36 1.330(5) . ?
N1 C1 1.424(5) . ?
C1 C6 1.402(5) . ?
C1 C2 1.416(5) . ?
N2 C36 1.346(5) . ?
N2 C42 1.422(5) . ?
C2 C3 1.387(5) . ?
C2 C20 1.531(5) . ?
N3 C47 1.398(5) . ?
N3 C46 1.430(5) . ?
C3 C4 1.401(6) . ?
C3 H30 0.9500 . ?
N4 C47 1.292(5) . ?
N4 C52 1.412(5) . ?
N4 H4 0.8800 . ?
C4 C5 1.391(6) . ?
C4 C33 1.522(5) . ?
C5 C6 1.392(5) . ?
C5 H20 0.9500 . ?
C6 C7 1.535(5) . ?
C7 C8 1.523(6) . ?
C7 C14 1.525(6) . ?
C7 H13 1.0000 . ?
C8 C9 1.374(6) . ?
C8 C13 1.394(6) . ?
C9 C10 1.384(6) . ?
C9 H31 0.9500 . ?
C10 C11 1.381(7) . ?
C10 H56 0.9500 . ?
C11 C12 1.361(8) . ?
C11 H66 0.9500 . ?
C12 C13 1.402(7) . ?
C12 H71 0.9500 . ?
C13 H73 0.9500 . ?
C14 C15 1.386(6) . ?
C14 C19 1.395(6) . ?
C15 C16 1.377(6) . ?
C15 H22 0.9500 . ?
C16 C17 1.368(7) . ?
C16 H59 0.9500 . ?
C17 C18 1.380(7) . ?
C17 H78 0.9500 . ?
C18 C19 1.373(7) . ?
C18 H64 0.9500 . ?
C19 H29 0.9500 . ?
C20 C21 1.530(6) . ?
C20 C27 1.533(6) . ?
C20 H41 1.0000 . ?
C21 C22 1.382(7) . ?
C21 C26 1.394(6) . ?
C22 C23 1.381(7) . ?
C22 H65 0.9500 . ?
C23 C24 1.397(7) . ?
C23 H77 0.9500 . ?
C24 C25 1.369(8) . ?
C24 H80 0.9500 . ?
C25 C26 1.391(7) . ?
C25 H89 0.9500 . ?
C26 H74 0.9500 . ?
C27 C32 1.398(6) . ?
C27 C28 1.399(7) . ?
C28 C29 1.392(7) . ?
C28 H39 0.9500 . ?
C29 C30 1.387(8) . ?
C29 H86 0.9500 . ?
C30 C31 1.373(8) . ?
C30 H44 0.9500 . ?
C31 C32 1.391(7) . ?
C31 H83 0.9500 . ?
C32 H48 0.9500 . ?
C33 C34 1.521(7) . ?
C33 C35 1.526(6) . ?
C33 H55 1.0000 . ?
C34 H47A 0.9800 . ?
C34 H47B 0.9800 . ?
C34 H47C 0.9800 . ?
C35 H58A 0.9800 . ?
C35 H58B 0.9800 . ?
C35 H58C 0.9800 . ?
C36 C37 1.543(6) . ?
C37 C39 1.537(6) . ?
C37 C38 1.538(6) . ?
C37 C40 1.539(6) . ?
C38 H40A 0.9800 . ?
C38 H40B 0.9800 . ?
C38 H40C 0.9800 . ?
C39 H14A 0.9800 . ?
C39 H14B 0.9800 . ?
C39 H14C 0.9800 . ?
C40 H11A 0.9800 . ?
C40 H11B 0.9800 . ?
C40 H11C 0.9800 . ?
C41 C46 1.388(5) 2_666 ?
C41 C42 1.403(5) . ?
C41 H10 0.9500 . ?
C42 C43 1.393(5) . ?
C43 C44 1.391(6) . ?
C43 H2 0.9500 . ?
C44 C45 1.385(6) . ?
C44 H28 0.9500 . ?
C45 C46 1.404(5) 2_666 ?
C45 H26 0.9500 . ?
C47 C48 1.541(6) . ?
C48 C49 1.536(6) . ?
C48 C51 1.536(6) . ?
C48 C50 1.546(5) . ?
C49 H12A 0.9800 . ?
C49 H12B 0.9800 . ?
C49 H12C 0.9800 . ?
C50 H46A 0.9800 . ?
C50 H46B 0.9800 . ?
C50 H46C 0.9800 . ?
C51 H32A 0.9800 . ?
C51 H32B 0.9800 . ?
C51 H32C 0.9800 . ?
C52 C57 1.407(5) . ?
C52 C53 1.417(5) . ?
C53 C54 1.379(6) . ?
C53 C71 1.530(5) . ?
C54 C55 1.397(6) . ?
C54 H50 0.9500 . ?
C55 C56 1.394(6) . ?
C55 C84 1.508(6) . ?
C56 C57 1.376(6) . ?
C56 H15 0.9500 . ?
C57 C58 1.538(5) . ?
C58 C59 1.521(6) . ?
C58 C65 1.526(6) . ?
C58 H37 1.0000 . ?
C59 C64 1.392(6) . ?
C59 C60 1.397(7) . ?
C60 C61 1.391(7) . ?
C60 H57 0.9500 . ?
C61 C62 1.374(9) . ?
C61 H72 0.9500 . ?
C62 C63 1.373(10) . ?
C62 H88 0.9500 . ?
C63 C64 1.391(8) . ?
C63 H87 0.9500 . ?
C64 H69 0.9500 . ?
C65 C66 1.389(7) . ?
C65 C70 1.400(6) . ?
C66 C67 1.397(7) . ?
C66 H42 0.9500 . ?
C67 C68 1.383(8) . ?
C67 H51 0.9500 . ?
C68 C69 1.383(8) . ?
C68 H90 0.9500 . ?
C69 C70 1.378(7) . ?
C69 H81 0.9500 . ?
C70 H34 0.9500 . ?
C71 C72 1.531(6) . ?
C71 C78 1.536(6) . ?
C71 H33 1.0000 . ?
C72 C77 1.381(6) . ?
C72 C73 1.394(6) . ?
C73 C74 1.389(6) . ?
C73 H62 0.9500 . ?
C74 C75 1.369(7) . ?
C74 H76 0.9500 . ?
C75 C76 1.380(8) . ?
C75 H54 0.9500 . ?
C76 C77 1.374(7) . ?
C76 H84 0.9500 . ?
C77 H67 0.9500 . ?
C78 C79 1.368(7) . ?
C78 C83 1.400(6) . ?
C79 C80 1.395(7) . ?
C79 H24 0.9500 . ?
C80 C81 1.370(8) . ?
C80 H79 0.9500 . ?
C81 C82 1.363(8) . ?
C81 H82 0.9500 . ?
C82 C83 1.382(7) . ?
C82 H75 0.9500 . ?
C83 H36 0.9500 . ?
C84 C86 1.516(6) . ?
C84 C85A 1.516(8) . ?
C84 C85 1.527(6) . ?
C84 C86A 1.531(8) . ?
C84 H84A 1.0000 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 C88 1.360(13) . ?
C87 C92 1.439(12) . ?
C87 H97 0.9500 . ?
C88 C89 1.219(14) . ?
C88 H5 0.9500 . ?
C89 C90 1.389(15) . ?
C89 H91 0.9500 . ?
C90 C91 1.377(12) . ?
C90 H6 0.9500 . ?
C91 C92 1.407(12) . ?
C91 H3 0.9500 . ?
C92 C93 1.472(14) . ?
C93 H98A 0.9800 . ?
C93 H98B 0.9800 . ?
C93 H98C 0.9800 . ?
C94 C95 1.381(7) . ?
C94 C99 1.383(7) . ?
C94 H94 0.9500 . ?
C95 C96 1.427(7) . ?
C95 H95 0.9500 . ?
C96 C97 1.422(7) . ?
C96 H96 0.9500 . ?
C97 C98 1.423(7) . ?
C97 H97A 0.9500 . ?
C98 C99 1.428(7) . ?
C98 H98 0.9500 . ?
C99 H99 0.9500 . ?
C100 C105 1.401(6) . ?
C100 C101 1.427(6) . ?
C100 C106 1.492(6) . ?
C101 C102 1.433(6) . ?
C101 H101 0.9500 . ?
C102 C103 1.406(7) . ?
C102 H102 0.9500 . ?
C103 C104 1.421(7) . ?
C103 H103 0.9500 . ?
C104 C105 1.431(7) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 H10A 0.9800 . ?
C106 H10B 0.9800 . ?
C106 H10C 0.9800 . ?
C85A H85D 0.9800 . ?
C85A H85E 0.9800 . ?
C85A H85F 0.9800 . ?
C86A H86D 0.9800 . ?
C86A H86E 0.9800 . ?
C86A H86F 0.9800 . ?
