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#$Date: 2023-05-05 03:39:22 +0300 (Fri, 05 May 2023) $
#$Revision: 283131 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/11/7131186.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_7131186
loop_
_publ_author_name
'Li, Tong'
'Zhang, Li'
'He, Yuhao'
'Chen, Yizhen'
'Wang, Dongmin'
'Liu, Jingjing'
'Tan, Gengwen'
_publ_section_title
;
 A germanimidoyl chloride: synthesis, characterization and reactivity.
;
_journal_issue                   11
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1533
_journal_page_last               1536
_journal_paper_doi               10.1039/d2cc05970c
_journal_volume                  59
_journal_year                    2023
_chemical_formula_sum            'C79 H97 Ge N'
_chemical_formula_weight         1133.16
_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-2014/7
_audit_update_record
;
2022-11-04 deposited with the CCDC.	2023-01-17 downloaded from the CCDC.
;
_cell_angle_alpha                93.954(4)
_cell_angle_beta                 91.347(4)
_cell_angle_gamma                97.621(4)
_cell_formula_units_Z            2
_cell_length_a                   10.9718(8)
_cell_length_b                   11.2149(9)
_cell_length_c                   27.474(2)
_cell_measurement_reflns_used    9841
_cell_measurement_temperature    135(2)
_cell_measurement_theta_max      53.78
_cell_measurement_theta_min      3.47
_cell_volume                     3341.0(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      135(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0647
_diffrn_reflns_av_unetI/netI     0.0524
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            60392
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.008
_diffrn_reflns_theta_min         3.468
_exptl_absorpt_coefficient_mu    0.606
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.126
_exptl_crystal_description       block
_exptl_crystal_F_000             1220
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.607
_refine_diff_density_min         -0.602
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     823
_refine_ls_number_reflns         12214
_refine_ls_number_restraints     382
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0774
_refine_ls_R_factor_gt           0.0576
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0856P)²+2.5624P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1529
_refine_ls_wR_factor_ref         0.1641
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9592
_reflns_number_total             12214
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc05970c2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7131185--7131189.cif.'
_cod_original_cell_volume        3340.9(5)
_cod_database_code               7131186
_shelx_shelxl_version_number     2014/7
_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   0.899
_shelx_estimated_absorpt_t_max   0.931
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 0.60574(3) 0.34977(3) 0.23975(2) 0.02781(12) Uani 1 1 d . . . . .
N1 N 0.47474(19) 0.2573(2) 0.25034(8) 0.0290(5) Uani 1 1 d . . . . .
C1 C 0.7603(2) 0.4297(2) 0.27060(10) 0.0262(6) Uani 1 1 d . . . . .
C2 C 0.7823(2) 0.5568(2) 0.27751(10) 0.0262(6) Uani 1 1 d . . . . .
C3 C 0.9032(2) 0.6172(2) 0.28158(11) 0.0301(6) Uani 1 1 d . . . . .
C4 C 1.0023(2) 0.5523(3) 0.28306(11) 0.0337(7) Uani 1 1 d . . . . .
H4A H 1.0840 0.5933 0.2858 0.040 Uiso 1 1 calc R U . . .
C5 C 0.9815(2) 0.4277(3) 0.28049(11) 0.0318(6) Uani 1 1 d . . . . .
C6 C 0.8625(2) 0.3664(2) 0.27268(10) 0.0286(6) Uani 1 1 d . . . . .
C7 C 0.7728(2) 0.7692(2) 0.27799(12) 0.0343(7) Uani 1 1 d . . . . .
H7A H 0.7535 0.7883 0.2442 0.041 Uiso 1 1 calc R U . . .
H7B H 0.7539 0.8363 0.3007 0.041 Uiso 1 1 calc R U . . .
C8 C 0.9097(2) 0.7540(2) 0.28351(12) 0.0340(7) Uani 1 1 d . . . . .
C9 C 0.9808(3) 0.8049(3) 0.24026(13) 0.0428(8) Uani 1 1 d . . . . .
H9A H 0.9840 0.8928 0.2421 0.064 Uiso 1 1 calc R U . . .
H9B H 1.0646 0.7839 0.2415 0.064 Uiso 1 1 calc R U . . .
H9C H 0.9390 0.7703 0.2096 0.064 Uiso 1 1 calc R U . . .
C10 C 0.9703(3) 0.8164(3) 0.33137(13) 0.0451(8) Uani 1 1 d . . . . .
H10A H 0.9722 0.9039 0.3308 0.068 Uiso 1 1 calc R U . . .
H10B H 0.9227 0.7879 0.3590 0.068 Uiso 1 1 calc R U . . .
H10C H 1.0544 0.7970 0.3347 0.068 Uiso 1 1 calc R U . . .
C11 C 1.0021(3) 0.2172(3) 0.28086(13) 0.0393(7) Uani 1 1 d . . . . .
H11A H 1.0089 0.1787 0.3120 0.047 Uiso 1 1 calc R U . . .
H11B H 1.0343 0.1659 0.2547 0.047 Uiso 1 1 calc R U . . .
C12 C 1.0788(3) 0.3446(3) 0.28502(12) 0.0389(7) Uani 1 1 d . . . . .
C13 C 1.1707(3) 0.3603(3) 0.24406(15) 0.0497(9) Uani 1 1 d . . . . .
H13A H 1.2327 0.3058 0.2477 0.075 Uiso 1 1 calc R U . . .
H13B H 1.1271 0.3411 0.2124 0.075 Uiso 1 1 calc R U . . .
H13C H 1.2111 0.4439 0.2460 0.075 Uiso 1 1 calc R U . . .
C14 C 1.1479(3) 0.3702(3) 0.33425(14) 0.0528(9) Uani 1 1 d . . . . .
H14A H 1.2104 0.3158 0.3366 0.079 Uiso 1 1 calc R U . . .
H14B H 1.1879 0.4540 0.3372 0.079 Uiso 1 1 calc R U . . .
H14C H 1.0899 0.3573 0.3606 0.079 Uiso 1 1 calc R U . . .
C15 C 0.6943(2) 0.6488(2) 0.28981(10) 0.0287(6) Uani 1 1 d . . . . .
C16 C 0.6634(2) 0.6491(2) 0.34407(11) 0.0300(6) Uani 1 1 d . . . . .
C17 C 0.7365(3) 0.6314(3) 0.38405(11) 0.0349(7) Uani 1 1 d . . . . .
H17A H 0.8176 0.6129 0.3793 0.042 Uiso 1 1 calc R U . . .
C18 C 0.6922(3) 0.6404(3) 0.43126(12) 0.0405(7) Uani 1 1 d . . . . .
C19 C 0.5715(3) 0.6654(3) 0.43660(12) 0.0434(8) Uani 1 1 d . . . . .
H19A H 0.5406 0.6736 0.4685 0.052 Uiso 1 1 calc R U . . .
C20 C 0.4957(3) 0.6788(3) 0.39709(12) 0.0403(7) Uani 1 1 d . . . . .
H20A H 0.4135 0.6940 0.4018 0.048 Uiso 1 1 calc R U . . .
C21 C 0.5412(2) 0.6695(2) 0.35023(11) 0.0319(6) Uani 1 1 d . . . . .
C22 C 0.4825(2) 0.6701(2) 0.30237(11) 0.0317(6) Uani 1 1 d . . . . .
C23 C 0.3642(3) 0.6917(3) 0.28901(12) 0.0382(7) Uani 1 1 d . . . . .
H23A H 0.3074 0.7093 0.3132 0.046 Uiso 1 1 calc R U . . .
C24 C 0.3312(2) 0.6872(3) 0.23993(12) 0.0392(7) Uani 1 1 d . . . . .
H24A H 0.2504 0.7012 0.2310 0.047 Uiso 1 1 calc R U . . .
C25 C 0.4120(2) 0.6627(3) 0.20285(12) 0.0366(7) Uani 1 1 d . . . . .
C26 C 0.5315(2) 0.6447(3) 0.21709(11) 0.0333(6) Uani 1 1 d . . . . .
H26A H 0.5894 0.6308 0.1929 0.040 Uiso 1 1 calc R U . . .
C27 C 0.5659(2) 0.6468(2) 0.26604(11) 0.0298(6) Uani 1 1 d . . . . .
C28 C 0.7715(4) 0.6244(4) 0.47638(14) 0.0572(9) Uani 1 1 d D U . . .
C29 C 0.7000(5) 0.5362(5) 0.51010(18) 0.0882(14) Uani 1 1 d . U . . .
H29A H 0.6244 0.5674 0.5201 0.132 Uiso 1 1 calc R U . . .
H29B H 0.6792 0.4569 0.4924 0.132 Uiso 1 1 calc R U . . .
H29C H 0.7514 0.5287 0.5391 0.132 Uiso 1 1 calc R U . . .
C30 C 0.7998(5) 0.7478(4) 0.50682(16) 0.0791(12) Uani 1 1 d . U . . .
H30A H 0.7228 0.7809 0.5129 0.119 Uiso 1 1 calc R U . . .
H30B H 0.8400 0.7363 0.5380 0.119 Uiso 1 1 calc R U . . .
H30C H 0.8543 0.8040 0.4887 0.119 Uiso 1 1 calc R U . . .
C31 C 0.9026(8) 0.6084(12) 0.4628(7) 0.076(3) Uani 0.5 1 d D U P A 1
H31A H 0.9510 0.5983 0.4923 0.114 Uiso 0.5 1 calc R U P A 1
H31B H 0.9011 0.5368 0.4401 0.114 Uiso 0.5 1 calc R U P A 1
H31C H 0.9401 0.6797 0.4472 0.114 Uiso 0.5 1 calc R U P A 1
C31A C 0.8844(9) 0.5635(11) 0.4645(7) 0.071(3) Uani 0.5 1 d D U P A 2
H31D H 0.9310 0.5559 0.4948 0.107 Uiso 0.5 1 calc R U P A 2
H31E H 0.8583 0.4831 0.4484 0.107 Uiso 0.5 1 calc R U P A 2
H31F H 0.9365 0.6122 0.4428 0.107 Uiso 0.5 1 calc R U P A 2
C32 C 0.3668(2) 0.6525(3) 0.14964(12) 0.0450(7) Uani 1 1 d D U . . .
C33 C 0.4701(3) 0.6356(4) 0.11392(15) 0.0544(11) Uani 0.815(4) 1 d D U P B 1
H33A H 0.5093 0.5654 0.1219 0.082 Uiso 0.815(4) 1 calc R U P B 1
H33B H 0.4354 0.6226 0.0805 0.082 Uiso 0.815(4) 1 calc R U P B 1
H33C H 0.5315 0.7078 0.1166 0.082 Uiso 0.815(4) 1 calc R U P B 1
C34 C 0.2703(3) 0.5387(3) 0.14121(16) 0.0535(11) Uani 0.815(4) 1 d D U P B 1
H34A H 0.3074 0.4676 0.1495 0.080 Uiso 0.815(4) 1 calc R U P B 1
H34B H 0.2001 0.5474 0.1620 0.080 Uiso 0.815(4) 1 calc R U P B 1
H34C H 0.2422 0.5291 0.1069 0.080 Uiso 0.815(4) 1 calc R U P B 1
C35 C 0.3074(4) 0.7615(3) 0.13663(17) 0.0578(11) Uani 0.815(4) 1 d D U P B 1
H35A H 0.2797 0.7514 0.1022 0.087 Uiso 0.815(4) 1 calc R U P B 1
H35B H 0.2367 0.7690 0.1572 0.087 Uiso 0.815(4) 1 calc R U P B 1
H35C H 0.3674 0.8344 0.1420 0.087 Uiso 0.815(4) 1 calc R U P B 1
C33A C 0.4419(11) 0.7621(9) 0.1287(6) 0.050(3) Uani 0.185(4) 1 d D U P B 2
H33D H 0.4293 0.8359 0.1481 0.075 Uiso 0.185(4) 1 calc R U P B 2
H33E H 0.5295 0.7527 0.1299 0.075 Uiso 0.185(4) 1 calc R U P B 2
H33F H 0.4149 0.7675 0.0948 0.075 Uiso 0.185(4) 1 calc R U P B 2
C34A C 0.3880(13) 0.5392(8) 0.1190(6) 0.056(3) Uani 0.185(4) 1 d D U P B 2
H34D H 0.3554 0.5426 0.0857 0.084 Uiso 0.185(4) 1 calc R U P B 2
H34E H 0.4764 0.5339 0.1182 0.084 Uiso 0.185(4) 1 calc R U P B 2
H34F H 0.3458 0.4681 0.1334 0.084 Uiso 0.185(4) 1 calc R U P B 2
C35A C 0.2303(5) 0.6689(12) 0.1445(6) 0.055(3) Uani 0.185(4) 1 d D U P B 2
H35D H 0.2155 0.7416 0.1641 0.083 Uiso 0.185(4) 1 calc R U P B 2
H35E H 0.2090 0.6769 0.1102 0.083 Uiso 0.185(4) 1 calc R U P B 2
H35F H 0.1794 0.5985 0.1560 0.083 Uiso 0.185(4) 1 calc R U P B 2
C36 C 0.8642(2) 0.2286(2) 0.26892(11) 0.0325(6) Uani 1 1 d . . . . .
C37 C 0.7779(3) 0.1624(2) 0.30400(11) 0.0327(6) Uani 1 1 d . . . . .
C38 C 0.7838(3) 0.1721(3) 0.35432(12) 0.0415(7) Uani 1 1 d . . . . .
H38A H 0.8423 0.2317 0.3712 0.050 Uiso 1 1 calc R U . . .
C39 C 0.7041(3) 0.0943(3) 0.38078(12) 0.0433(8) Uani 1 1 d . . . . .
C40 C 0.6157(3) 0.0117(3) 0.35470(13) 0.0434(8) Uani 1 1 d . . . . .
H40A H 0.5592 -0.0394 0.3722 0.052 Uiso 1 1 calc R U . . .
C41 C 0.6075(3) 0.0017(3) 0.30401(12) 0.0384(7) Uani 1 1 d . . . . .
H41A H 0.5459 -0.0544 0.2870 0.046 Uiso 1 1 calc R U . . .
C42 C 0.6915(2) 0.0758(2) 0.27882(11) 0.0326(6) Uani 1 1 d . . . . .
C43 C 0.7172(2) 0.0749(2) 0.22633(11) 0.0332(6) Uani 1 1 d . . . . .
C44 C 0.6692(3) -0.0020(3) 0.18716(12) 0.0406(7) Uani 1 1 d . . . . .
H44A H 0.5986 -0.0594 0.1907 0.049 Uiso 1 1 calc R U . . .
C45 C 0.7252(3) 0.0054(3) 0.14257(12) 0.0433(8) Uani 1 1 d . . . . .
H45A H 0.6922 -0.0481 0.1158 0.052 Uiso 1 1 calc R U . . .
C46 C 0.8285(3) 0.0889(3) 0.13567(12) 0.0413(7) Uani 1 1 d . . . . .
C47 C 0.8724(3) 0.1705(3) 0.17542(12) 0.0382(7) Uani 1 1 d . . . . .
H47A H 0.9398 0.2313 0.1715 0.046 Uiso 1 1 calc R U . . .
C48 C 0.8183(2) 0.1627(2) 0.21999(11) 0.0316(6) Uani 1 1 d . . . . .
C49 C 0.7187(3) 0.0984(3) 0.43664(14) 0.0588(9) Uani 1 1 d D U . . .
C50 C 0.7054(5) 0.2249(4) 0.45712(19) 0.0748(14) Uani 0.762(4) 1 d D U P C 1
H50A H 0.6239 0.2443 0.4478 0.112 Uiso 0.762(4) 1 calc R U P C 1
H50B H 0.7146 0.2294 0.4928 0.112 Uiso 0.762(4) 1 calc R U P C 1
H50C H 0.7689 0.2827 0.4440 0.112 Uiso 0.762(4) 1 calc R U P C 1
C51 C 0.8427(4) 0.0660(5) 0.4503(2) 0.0745(15) Uani 0.762(4) 1 d D U P C 1
H51A H 0.8494 -0.0159 0.4367 0.112 Uiso 0.762(4) 1 calc R U P C 1
H51B H 0.9069 0.1230 0.4372 0.112 Uiso 0.762(4) 1 calc R U P C 1
H51C H 0.8526 0.0697 0.4859 0.112 Uiso 0.762(4) 1 calc R U P C 1
C52 C 0.6187(4) 0.0107(5) 0.45785(19) 0.0727(15) Uani 0.762(4) 1 d D U P C 1
H52A H 0.5376 0.0318 0.4489 0.109 Uiso 0.762(4) 1 calc R U P C 1
H52B H 0.6250 -0.0717 0.4447 0.109 Uiso 0.762(4) 1 calc R U P C 1
H52C H 0.6292 0.0158 0.4935 0.109 Uiso 0.762(4) 1 calc R U P C 1
C50A C 0.6133(9) 0.1403(12) 0.4650(5) 0.067(2) Uani 0.238(4) 1 d D U P C 2
H50D H 0.6023 0.2219 0.4568 0.101 Uiso 0.238(4) 1 calc R U P C 2
H50E H 0.5376 0.0853 0.4566 0.101 Uiso 0.238(4) 1 calc R U P C 2
H50F H 0.6321 0.1409 0.5001 0.101 Uiso 0.238(4) 1 calc R U P C 2
C51A C 0.8370(8) 0.1805(11) 0.4545(6) 0.074(3) Uani 0.238(4) 1 d D U P C 2
H51D H 0.9071 0.1556 0.4368 0.111 Uiso 0.238(4) 1 calc R U P C 2
H51E H 0.8288 0.2642 0.4485 0.111 Uiso 0.238(4) 1 calc R U P C 2
H51F H 0.8506 0.1739 0.4895 0.111 Uiso 0.238(4) 1 calc R U P C 2
C52A C 0.7339(13) -0.0289(7) 0.4502(6) 0.075(3) Uani 0.238(4) 1 d D U P C 2
H52D H 0.8017 -0.0575 0.4322 0.112 Uiso 0.238(4) 1 calc R U P C 2
H52E H 0.7521 -0.0276 0.4854 0.112 Uiso 0.238(4) 1 calc R U P C 2
H52F H 0.6576 -0.0832 0.4418 0.112 Uiso 0.238(4) 1 calc R U P C 2
C53 C 0.9003(3) 0.0836(3) 0.08869(12) 0.0554(8) Uani 1 1 d D U . . .
C54 C 0.9523(5) 0.2093(4) 0.07511(18) 0.0646(13) Uani 0.781(5) 1 d D U P D 1
H54A H 1.0016 0.2521 0.1027 0.097 Uiso 0.781(5) 1 calc R U P D 1
H54B H 1.0043 0.2025 0.0468 0.097 Uiso 0.781(5) 1 calc R U P D 1
H54C H 0.8846 0.2541 0.0671 0.097 Uiso 0.781(5) 1 calc R U P D 1
C55 C 1.0093(4) 0.0138(4) 0.09934(18) 0.0668(13) Uani 0.781(5) 1 d D U P D 1
H55A H 1.0601 0.0560 0.1267 0.100 Uiso 0.781(5) 1 calc R U P D 1
H55B H 0.9777 -0.0678 0.1078 0.100 Uiso 0.781(5) 1 calc R U P D 1
H55C H 1.0591 0.0091 0.0703 0.100 Uiso 0.781(5) 1 calc R U P D 1
C56 C 0.8233(5) 0.0158(5) 0.04610(17) 0.0766(15) Uani 0.781(5) 1 d D U P D 1
H56A H 0.7903 -0.0649 0.0552 0.115 Uiso 0.781(5) 1 calc R U P D 1
H56B H 0.7552 0.0600 0.0380 0.115 Uiso 0.781(5) 1 calc R U P D 1
H56C H 0.8749 0.0085 0.0177 0.115 Uiso 0.781(5) 1 calc R U P D 1
C54A C 0.8153(12) 0.1220(13) 0.0485(4) 0.064(2) Uani 0.219(5) 1 d D U P D 2
H54D H 0.8566 0.1203 0.0172 0.096 Uiso 0.219(5) 1 calc R U P D 2
H54E H 0.7384 0.0661 0.0456 0.096 Uiso 0.219(5) 1 calc R U P D 2
H54F H 0.7971 0.2039 0.0571 0.096 Uiso 0.219(5) 1 calc R U P D 2
C55A C 0.9291(14) -0.0432(7) 0.0722(6) 0.068(3) Uani 0.219(5) 1 d D U P D 2
H55D H 0.9750 -0.0395 0.0420 0.102 Uiso 0.219(5) 1 calc R U P D 2
H55E H 0.9787 -0.0728 0.0977 0.102 Uiso 0.219(5) 1 calc R U P D 2
H55F H 0.8521 -0.0980 0.0663 0.102 Uiso 0.219(5) 1 calc R U P D 2
C56A C 1.0213(9) 0.1707(11) 0.0899(6) 0.070(3) Uani 0.219(5) 1 d D U P D 2
H56D H 1.0614 0.1616 0.0586 0.105 Uiso 0.219(5) 1 calc R U P D 2
H56E H 1.0037 0.2538 0.0956 0.105 Uiso 0.219(5) 1 calc R U P D 2
H56F H 1.0759 0.1520 0.1162 0.105 Uiso 0.219(5) 1 calc R U P D 2
C57 C 0.4215(2) 0.2014(2) 0.28972(10) 0.0266(6) Uani 1 1 d . . . . .
C58 C 0.4400(2) 0.2423(2) 0.33927(10) 0.0275(6) Uani 1 1 d . . . . .
C59 C 0.3802(2) 0.1756(3) 0.37449(11) 0.0318(6) Uani 1 1 d . . . . .
H59A H 0.3941 0.2036 0.4078 0.038 Uiso 1 1 calc R U . . .
C60 C 0.3007(3) 0.0691(3) 0.36302(11) 0.0346(7) Uani 1 1 d . . . . .
C61 C 0.2811(3) 0.0314(3) 0.31382(11) 0.0347(7) Uani 1 1 d . . . . .
H61A H 0.2269 -0.0406 0.3050 0.042 Uiso 1 1 calc R U . . .
C62 C 0.3379(2) 0.0953(2) 0.27727(10) 0.0292(6) Uani 1 1 d . . . . .
C63 C 0.5239(3) 0.3568(3) 0.35415(11) 0.0371(7) Uani 1 1 d . . . . .
H63A H 0.5583 0.3922 0.3250 0.056 Uiso 1 1 calc R U . . .
H63B H 0.4773 0.4139 0.3717 0.056 Uiso 1 1 calc R U . . .
H63C H 0.5910 0.3387 0.3755 0.056 Uiso 1 1 calc R U . . .
C64 C 0.2402(3) -0.0031(3) 0.40195(13) 0.0532(9) Uani 1 1 d . . . . .
H64A H 0.2648 0.0374 0.4341 0.080 Uiso 1 1 calc R U . . .
H64B H 0.1506 -0.0101 0.3974 0.080 Uiso 1 1 calc R U . . .
H64C H 0.2657 -0.0837 0.3998 0.080 Uiso 1 1 calc R U . . .
C65 C 0.3141(3) 0.0501(3) 0.22442(11) 0.0392(7) Uani 1 1 d . . . . .
H65A H 0.3612 0.1056 0.2036 0.059 Uiso 1 1 calc R U . . .
H65B H 0.3394 -0.0303 0.2192 0.059 Uiso 1 1 calc R U . . .
H65C H 0.2261 0.0455 0.2162 0.059 Uiso 1 1 calc R U . . .
C66 C 0.6193(2) 0.3637(3) 0.17046(11) 0.0326(6) Uani 1 1 d . . . . .
C67 C 0.7132(3) 0.4401(3) 0.15091(11) 0.0353(7) Uani 1 1 d . . . . .
H67A H 0.7718 0.4889 0.1723 0.042 Uiso 1 1 calc R U . . .
C68 C 0.7233(3) 0.4467(3) 0.10080(12) 0.0410(7) Uani 1 1 d . . . . .
C69 C 0.6367(3) 0.3722(3) 0.07063(12) 0.0439(8) Uani 1 1 d . . . . .
H69A H 0.6425 0.3754 0.0363 0.053 Uiso 1 1 calc R U . . .
C70 C 0.5418(3) 0.2930(3) 0.08849(11) 0.0400(7) Uani 1 1 d . . . . .
C71 C 0.5339(3) 0.2912(3) 0.13913(11) 0.0356(7) Uani 1 1 d . . . . .
H71A H 0.4693 0.2397 0.1524 0.043 Uiso 1 1 calc R U . . .
C72 C 0.8229(3) 0.5383(3) 0.08037(14) 0.0512(9) Uani 1 1 d . . . . .
C73 C 0.9470(3) 0.5385(4) 0.10605(18) 0.0742(13) Uani 1 1 d . . . . .
H73A H 0.9733 0.4585 0.1010 0.111 Uiso 1 1 calc R U . . .
H73B H 1.0077 0.5987 0.0927 0.111 Uiso 1 1 calc R U . . .
H73C H 0.9402 0.5585 0.1411 0.111 Uiso 1 1 calc R U . . .
C74 C 0.7863(4) 0.6648(4) 0.0894(2) 0.0835(15) Uani 1 1 d . . . . .
H74A H 0.7062 0.6677 0.0733 0.125 Uiso 1 1 calc R U . . .
H74B H 0.7808 0.6837 0.1246 0.125 Uiso 1 1 calc R U . . .
H74C H 0.8484 0.7239 0.0762 0.125 Uiso 1 1 calc R U . . .
C75 C 0.8369(4) 0.5130(5) 0.02526(16) 0.0807(14) Uani 1 1 d . . . . .
H75A H 0.7573 0.5126 0.0083 0.121 Uiso 1 1 calc R U . . .
H75B H 0.8970 0.5760 0.0133 0.121 Uiso 1 1 calc R U . . .
H75C H 0.8654 0.4343 0.0191 0.121 Uiso 1 1 calc R U . . .
C76 C 0.4464(3) 0.2115(3) 0.05545(12) 0.0483(8) Uani 1 1 d . . . . .
C77 C 0.3197(4) 0.2521(5) 0.06270(18) 0.0827(14) Uani 1 1 d . . . . .
H77A H 0.2999 0.2511 0.0973 0.124 Uiso 1 1 calc R U . . .
H77B H 0.3208 0.3340 0.0523 0.124 Uiso 1 1 calc R U . . .
H77C H 0.2575 0.1970 0.0432 0.124 Uiso 1 1 calc R U . . .
C78 C 0.4777(5) 0.2128(5) 0.00177(15) 0.0909(16) Uani 1 1 d . . . . .
H78A H 0.4142 0.1596 -0.0179 0.136 Uiso 1 1 calc R U . . .
H78B H 0.4813 0.2952 -0.0085 0.136 Uiso 1 1 calc R U . . .
H78C H 0.5576 0.1845 -0.0029 0.136 Uiso 1 1 calc R U . . .
C79 C 0.4378(5) 0.0807(4) 0.06961(16) 0.0783(14) Uani 1 1 d . . . . .
H79A H 0.4177 0.0774 0.1041 0.118 Uiso 1 1 calc R U . . .
H79B H 0.3733 0.0302 0.0494 0.118 Uiso 1 1 calc R U . . .
H79C H 0.5169 0.0510 0.0643 0.118 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 -1.5187 0.6907 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 '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
N1 Ge1 C66 109.29(11) . . ?
N1 Ge1 C1 143.03(11) . . ?
C66 Ge1 C1 106.86(11) . . ?
C57 N1 Ge1 137.24(19) . . ?
C6 C1 C2 117.6(2) . . ?
C6 C1 Ge1 119.49(19) . . ?
C2 C1 Ge1 120.23(19) . . ?
C3 C2 C1 120.5(2) . . ?
C3 C2 C15 108.2(2) . . ?
C1 C2 C15 130.6(2) . . ?
C4 C3 C2 120.3(2) . . ?
C4 C3 C8 126.4(2) . . ?
C2 C3 C8 113.3(2) . . ?
C5 C4 C3 119.6(2) . . ?
C5 C4 H4A 120.2 . . ?
C3 C4 H4A 120.2 . . ?
C4 C5 C6 120.7(2) . . ?
C4 C5 C12 125.9(2) . . ?
C6 C5 C12 113.4(2) . . ?
C5 C6 C1 120.9(2) . . ?
C5 C6 C36 110.7(2) . . ?
C1 C6 C36 128.3(2) . . ?
C8 C7 C15 108.4(2) . . ?
C8 C7 H7A 110.0 . . ?
C15 C7 H7A 110.0 . . ?
C8 C7 H7B 110.0 . . ?
C15 C7 H7B 110.0 . . ?
H7A C7 H7B 108.4 . . ?
C3 C8 C7 101.5(2) . . ?
C3 C8 C10 112.7(3) . . ?
C7 C8 C10 112.7(3) . . ?
C3 C8 C9 110.7(2) . . ?
C7 C8 C9 110.2(2) . . ?
C10 C8 C9 108.9(2) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C36 109.6(2) . . ?
C12 C11 H11A 109.8 . . ?
C36 C11 H11A 109.8 . . ?
C12 C11 H11B 109.8 . . ?
C36 C11 H11B 109.8 . . ?
H11A C11 H11B 108.2 . . ?
C5 C12 C14 110.6(3) . . ?
C5 C12 C13 110.8(3) . . ?
C14 C12 C13 109.2(3) . . ?
C5 C12 C11 102.9(2) . . ?
C14 C12 C11 111.3(3) . . ?
C13 C12 C11 111.9(3) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C2 C15 C16 110.1(2) . . ?
C2 C15 C27 125.0(2) . . ?
C16 C15 C27 101.0(2) . . ?
C2 C15 C7 101.7(2) . . ?
C16 C15 C7 111.6(2) . . ?
C27 C15 C7 107.3(2) . . ?
C17 C16 C21 120.2(3) . . ?
C17 C16 C15 129.6(2) . . ?
C21 C16 C15 110.2(2) . . ?
C16 C17 C18 120.7(3) . . ?
C16 C17 H17A 119.6 . . ?
C18 C17 H17A 119.6 . . ?
C19 C18 C17 117.9(3) . . ?
C19 C18 C28 120.0(3) . . ?
C17 C18 C28 122.1(3) . . ?
C20 C19 C18 122.2(3) . . ?
C20 C19 H19A 118.9 . . ?
C18 C19 H19A 118.9 . . ?
C19 C20 C21 119.2(3) . . ?
C19 C20 H20A 120.4 . . ?
C21 C20 H20A 120.4 . . ?
C20 C21 C16 119.6(3) . . ?
C20 C21 C22 131.8(3) . . ?
C16 C21 C22 108.5(2) . . ?
C23 C22 C27 119.7(3) . . ?
C23 C22 C21 130.6(3) . . ?
C27 C22 C21 109.7(2) . . ?
C24 C23 C22 118.8(3) . . ?
C24 C23 H23A 120.6 . . ?
C22 C23 H23A 120.6 . . ?
C23 C24 C25 122.7(3) . . ?
C23 C24 H24A 118.6 . . ?
C25 C24 H24A 118.6 . . ?
C26 C25 C24 117.5(3) . . ?
C26 C25 C32 122.8(3) . . ?
C24 C25 C32 119.7(2) . . ?
C27 C26 C25 120.8(3) . . ?
C27 C26 H26A 119.6 . . ?
C25 C26 H26A 119.6 . . ?
C26 C27 C22 120.4(2) . . ?
C26 C27 C15 129.5(2) . . ?
C22 C27 C15 109.2(2) . . ?
C31A C28 C18 113.5(8) . . ?
C31 C28 C18 111.4(8) . . ?
C31A C28 C29 102.7(6) . . ?
C31 C28 C29 119.9(7) . . ?
C18 C28 C29 110.6(3) . . ?
C31A C28 C30 114.5(7) . . ?
C31 C28 C30 98.5(7) . . ?
C18 C28 C30 108.8(3) . . ?
C29 C28 C30 106.2(4) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C28 C31A H31D 109.5 . . ?
C28 C31A H31E 109.5 . . ?
H31D C31A H31E 109.5 . . ?
C28 C31A H31F 109.5 . . ?
H31D C31A H31F 109.5 . . ?
H31E C31A H31F 109.5 . . ?
C35 C32 C25 112.1(3) . . ?
C34A C32 C25 116.8(7) . . ?
C34A C32 C35A 108.7(4) . . ?
C25 C32 C35A 112.1(7) . . ?
C35 C32 C33 108.7(2) . . ?
C25 C32 C33 112.6(3) . . ?
C34A C32 C33A 108.5(4) . . ?
C25 C32 C33A 103.0(6) . . ?
C35A C32 C33A 107.3(4) . . ?
C35 C32 C34 108.6(2) . . ?
C25 C32 C34 108.3(3) . . ?
C33 C32 C34 106.4(2) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C32 C33A H33D 109.5 . . ?
C32 C33A H33E 109.5 . . ?
H33D C33A H33E 109.5 . . ?
C32 C33A H33F 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 109.5 . . ?
C32 C34A H34D 109.5 . . ?
C32 C34A H34E 109.5 . . ?
H34D C34A H34E 109.5 . . ?
C32 C34A H34F 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
C32 C35A H35D 109.5 . . ?
C32 C35A H35E 109.5 . . ?
H35D C35A H35E 109.5 . . ?
C32 C35A H35F 109.5 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.5 . . ?
C37 C36 C48 101.1(2) . . ?
C37 C36 C6 113.3(2) . . ?
C48 C36 C6 115.6(2) . . ?
C37 C36 C11 111.9(2) . . ?
C48 C36 C11 112.4(2) . . ?
C6 C36 C11 102.9(2) . . ?
C38 C37 C42 120.3(3) . . ?
C38 C37 C36 128.3(3) . . ?
C42 C37 C36 111.2(3) . . ?
C37 C38 C39 120.4(3) . . ?
C37 C38 H38A 119.8 . . ?
C39 C38 H38A 119.8 . . ?
C40 C39 C38 118.0(3) . . ?
C40 C39 C49 121.9(3) . . ?
C38 C39 C49 120.0(3) . . ?
C41 C40 C39 122.3(3) . . ?
C41 C40 H40A 118.9 . . ?
C39 C40 H40A 118.9 . . ?
C42 C41 C40 118.3(3) . . ?
C42 C41 H41A 120.8 . . ?
C40 C41 H41A 120.8 . . ?
C41 C42 C37 120.6(3) . . ?
C41 C42 C43 130.8(3) . . ?
C37 C42 C43 108.4(2) . . ?
C44 C43 C48 119.8(3) . . ?
C44 C43 C42 131.4(3) . . ?
C48 C43 C42 108.4(3) . . ?
C43 C44 C45 119.1(3) . . ?
C43 C44 H44A 120.4 . . ?
C45 C44 H44A 120.4 . . ?
C44 C45 C46 122.3(3) . . ?
C44 C45 H45A 118.9 . . ?
C46 C45 H45A 118.9 . . ?
C45 C46 C47 117.7(3) . . ?
C45 C46 C53 121.4(3) . . ?
C47 C46 C53 120.6(3) . . ?
C48 C47 C46 120.3(3) . . ?
C48 C47 H47A 119.8 . . ?
C46 C47 H47A 119.8 . . ?
C47 C48 C43 120.7(3) . . ?
C47 C48 C36 128.0(3) . . ?
C43 C48 C36 110.8(3) . . ?
C51 C49 C50 110.8(3) . . ?
C51 C49 C52 109.4(3) . . ?
C50 C49 C52 108.1(3) . . ?
C50A C49 C52A 108.3(4) . . ?
C50A C49 C51A 107.5(4) . . ?
C52A C49 C51A 106.8(4) . . ?
C51 C49 C39 109.4(3) . . ?
C50 C49 C39 108.2(3) . . ?
C50A C49 C39 115.8(6) . . ?
C52 C49 C39 111.0(3) . . ?
C52A C49 C39 107.5(6) . . ?
C51A C49 C39 110.5(6) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C50A H50D 109.5 . . ?
C49 C50A H50E 109.5 . . ?
H50D C50A H50E 109.5 . . ?
C49 C50A H50F 109.5 . . ?
H50D C50A H50F 109.5 . . ?
H50E C50A H50F 109.5 . . ?
C49 C51A H51D 109.5 . . ?
C49 C51A H51E 109.5 . . ?
H51D C51A H51E 109.5 . . ?
C49 C51A H51F 109.5 . . ?
H51D C51A H51F 109.5 . . ?
H51E C51A H51F 109.5 . . ?
C49 C52A H52D 109.5 . . ?
C49 C52A H52E 109.5 . . ?
H52D C52A H52E 109.5 . . ?
C49 C52A H52F 109.5 . . ?
H52D C52A H52F 109.5 . . ?
H52E C52A H52F 109.5 . . ?
C56 C53 C54 110.2(3) . . ?
C56 C53 C46 112.4(3) . . ?
C54 C53 C46 111.5(3) . . ?
C46 C53 C55A 114.1(6) . . ?
C46 C53 C56A 114.6(7) . . ?
C55A C53 C56A 107.8(4) . . ?
C56 C53 C55 108.1(3) . . ?
C54 C53 C55 108.2(3) . . ?
C46 C53 C55 106.3(3) . . ?
C46 C53 C54A 105.7(6) . . ?
C55A C53 C54A 107.0(4) . . ?
C56A C53 C54A 107.1(4) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C53 C54A H54D 109.5 . . ?
C53 C54A H54E 109.5 . . ?
H54D C54A H54E 109.5 . . ?
C53 C54A H54F 109.5 . . ?
H54D C54A H54F 109.5 . . ?
H54E C54A H54F 109.5 . . ?
C53 C55A H55D 109.5 . . ?
C53 C55A H55E 109.5 . . ?
H55D C55A H55E 109.5 . . ?
C53 C55A H55F 109.5 . . ?
H55D C55A H55F 109.5 . . ?
H55E C55A H55F 109.5 . . ?
C53 C56A H56D 109.5 . . ?
C53 C56A H56E 109.5 . . ?
H56D C56A H56E 109.5 . . ?
C53 C56A H56F 109.5 . . ?
H56D C56A H56F 109.5 . . ?
H56E C56A H56F 109.5 . . ?
N1 C57 C58 126.3(2) . . ?
N1 C57 C62 115.1(2) . . ?
C58 C57 C62 118.6(2) . . ?
C59 C58 C57 119.4(2) . . ?
C59 C58 C63 120.1(3) . . ?
C57 C58 C63 120.6(2) . . ?
C58 C59 C60 122.8(3) . . ?
C58 C59 H59A 118.6 . . ?
C60 C59 H59A 118.6 . . ?
C61 C60 C59 117.2(3) . . ?
C61 C60 C64 121.2(3) . . ?
C59 C60 C64 121.6(3) . . ?
C62 C61 C60 122.2(3) . . ?
C62 C61 H61A 118.9 . . ?
C60 C61 H61A 118.9 . . ?
C61 C62 C57 119.8(3) . . ?
C61 C62 C65 120.1(2) . . ?
C57 C62 C65 120.0(2) . . ?
C58 C63 H63A 109.5 . . ?
C58 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C58 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C60 C64 H64A 109.5 . . ?
C60 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C60 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C62 C65 H65A 109.5 . . ?
C62 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C62 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C67 C66 C71 119.4(3) . . ?
C67 C66 Ge1 122.3(2) . . ?
C71 C66 Ge1 118.2(2) . . ?
C68 C67 C66 121.5(3) . . ?
C68 C67 H67A 119.2 . . ?
C66 C67 H67A 119.2 . . ?
C67 C68 C69 117.4(3) . . ?
C67 C68 C72 120.3(3) . . ?
C69 C68 C72 122.2(3) . . ?
C70 C69 C68 123.2(3) . . ?
C70 C69 H69A 118.4 . . ?
C68 C69 H69A 118.4 . . ?
C69 C70 C71 117.4(3) . . ?
C69 C70 C76 123.2(3) . . ?
C71 C70 C76 119.3(3) . . ?
C66 C71 C70 121.1(3) . . ?
C66 C71 H71A 119.4 . . ?
C70 C71 H71A 119.4 . . ?
C73 C72 C74 107.4(4) . . ?
C73 C72 C75 108.7(3) . . ?
C74 C72 C75 108.5(4) . . ?
C73 C72 C68 111.5(3) . . ?
C74 C72 C68 108.6(3) . . ?
C75 C72 C68 111.9(3) . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C72 C75 H75A 109.5 . . ?
C72 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C72 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C78 C76 C70 112.4(3) . . ?
C78 C76 C77 109.7(4) . . ?
C70 C76 C77 109.2(3) . . ?
C78 C76 C79 107.8(3) . . ?
C70 C76 C79 110.2(3) . . ?
C77 C76 C79 107.4(4) . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C76 C78 H78A 109.5 . . ?
C76 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C76 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C76 C79 H79A 109.5 . . ?
C76 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C76 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 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 N1 1.700(2) . ?
Ge1 C66 1.928(3) . ?
Ge1 C1 1.955(3) . ?
N1 C57 1.389(4) . ?
C1 C6 1.406(4) . ?
C1 C2 1.413(4) . ?
C2 C3 1.405(4) . ?
C2 C15 1.532(4) . ?
C3 C4 1.388(4) . ?
C3 C8 1.525(4) . ?
C4 C5 1.382(4) . ?
C4 H4A 0.9500 . ?
C5 C6 1.397(4) . ?
C5 C12 1.516(4) . ?
C6 C36 1.545(4) . ?
C7 C8 1.539(4) . ?
C7 C15 1.561(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C10 1.539(4) . ?
C8 C9 1.538(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.554(4) . ?
C11 C36 1.564(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C14 1.526(5) . ?
C12 C13 1.532(5) . ?
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 C16 1.536(4) . ?
C15 C27 1.535(4) . ?
C16 C17 1.385(4) . ?
C16 C21 1.402(4) . ?
C17 C18 1.398(4) . ?
C17 H17A 0.9500 . ?
C18 C19 1.399(4) . ?
C18 C28 1.533(5) . ?
C19 C20 1.380(5) . ?
C19 H19A 0.9500 . ?
C20 C21 1.394(4) . ?
C20 H20A 0.9500 . ?
C21 C22 1.451(4) . ?
C22 C23 1.397(4) . ?
C22 C27 1.405(4) . ?
C23 C24 1.383(4) . ?
C23 H23A 0.9500 . ?
C24 C25 1.403(4) . ?
C24 H24A 0.9500 . ?
C25 C26 1.403(4) . ?
C25 C32 1.525(4) . ?
C26 C27 1.386(4) . ?
C26 H26A 0.9500 . ?
C28 C31A 1.522(7) . ?
C28 C31 1.525(7) . ?
C28 C29 1.551(6) . ?
C28 C30 1.558(6) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C31A H31D 0.9800 . ?
C31A H31E 0.9800 . ?
C31A H31F 0.9800 . ?
C32 C35 1.519(3) . ?
C32 C34A 1.522(5) . ?
C32 C35A 1.538(4) . ?
C32 C33 1.538(4) . ?
C32 C33A 1.540(5) . ?
C32 C34 1.547(4) . ?
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 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C33A H33D 0.9800 . ?
C33A H33E 0.9800 . ?
C33A H33F 0.9800 . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
C35A H35D 0.9800 . ?
C35A H35E 0.9800 . ?
C35A H35F 0.9800 . ?
C36 C37 1.526(4) . ?
C36 C48 1.529(4) . ?
C37 C38 1.378(4) . ?
C37 C42 1.398(4) . ?
C38 C39 1.403(4) . ?
C38 H38A 0.9500 . ?
C39 C40 1.396(5) . ?
C39 C49 1.536(5) . ?
C40 C41 1.389(5) . ?
C40 H40A 0.9500 . ?
C41 C42 1.387(4) . ?
C41 H41A 0.9500 . ?
C42 C43 1.476(4) . ?
C43 C44 1.380(4) . ?
C43 C48 1.404(4) . ?
C44 C45 1.386(5) . ?
C44 H44A 0.9500 . ?
C45 C46 1.396(4) . ?
C45 H45A 0.9500 . ?
C46 C47 1.408(4) . ?
C46 C53 1.530(5) . ?
C47 C48 1.377(4) . ?
C47 H47A 0.9500 . ?
C49 C51 1.499(4) . ?
C49 C50 1.517(4) . ?
C49 C50A 1.518(5) . ?
C49 C52 1.528(4) . ?
C49 C52A 1.529(5) . ?
C49 C51A 1.537(5) . ?
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 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C50A H50D 0.9800 . ?
C50A H50E 0.9800 . ?
C50A H50F 0.9800 . ?
C51A H51D 0.9800 . ?
C51A H51E 0.9800 . ?
C51A H51F 0.9800 . ?
C52A H52D 0.9800 . ?
C52A H52E 0.9800 . ?
C52A H52F 0.9800 . ?
C53 C56 1.523(4) . ?
C53 C54 1.524(4) . ?
C53 C55A 1.538(5) . ?
C53 C56A 1.539(5) . ?
C53 C55 1.546(4) . ?
C53 C54A 1.549(5) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C54A H54D 0.9800 . ?
C54A H54E 0.9800 . ?
C54A H54F 0.9800 . ?
C55A H55D 0.9800 . ?
C55A H55E 0.9800 . ?
C55A H55F 0.9800 . ?
C56A H56D 0.9800 . ?
C56A H56E 0.9800 . ?
C56A H56F 0.9800 . ?
C57 C58 1.407(4) . ?
C57 C62 1.420(4) . ?
C58 C59 1.388(4) . ?
C58 C63 1.503(4) . ?
C59 C60 1.394(4) . ?
C59 H59A 0.9500 . ?
C60 C61 1.391(4) . ?
C60 C64 1.500(4) . ?
C61 C62 1.386(4) . ?
C61 H61A 0.9500 . ?
C62 C65 1.510(4) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 C67 1.394(4) . ?
C66 C71 1.394(4) . ?
C67 C68 1.390(4) . ?
C67 H67A 0.9500 . ?
C68 C69 1.395(5) . ?
C68 C72 1.541(4) . ?
C69 C70 1.397(4) . ?
C69 H69A 0.9500 . ?
C70 C71 1.397(4) . ?
C70 C76 1.530(4) . ?
C71 H71A 0.9500 . ?
C72 C73 1.518(5) . ?
C72 C74 1.531(6) . ?
C72 C75 1.536(6) . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 C78 1.523(5) . ?
C76 C77 1.531(6) . ?
C76 C79 1.535(6) . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
