#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:05:18 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179714 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/16/7001625.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_7001625
loop_
_publ_author_name
'Krummenacher, Ivo'
'Fernández, Ignacio'
'Rüegger, Heinz'
'Weigend, Florian'
'Breher, Frank'
_publ_section_title
;
 Neutral and cationic main group element cages of germanium(ii) with
 pyrazolyl ligands: solid state structures, DFT calculations and
 advanced solution NMR investigations
;
_journal_issue                   27
_journal_name_full               'Dalton Transactions'
_journal_page_first              5335
_journal_page_last               5347
_journal_paper_doi               10.1039/b901711a
_journal_year                    2009
_chemical_formula_moiety         'C20 H4 F24 Ge2 N8'
_chemical_formula_sum            'C20 H4 F24 Ge2 N8'
_chemical_formula_weight         957.49
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.560(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1677(6)
_cell_length_b                   37.262(2)
_cell_length_c                   9.3337(6)
_cell_measurement_reflns_used    28474
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.19
_cell_volume                     2985.4(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex with CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            28474
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    2.195
_exptl_absorpt_correction_T_max  0.4664
_exptl_absorpt_correction_T_min  0.2600
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.130
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular shaped crystal'
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.84
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.41
_refine_diff_density_max         0.925
_refine_diff_density_min         -0.594
_refine_diff_density_rms         0.083
_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     515
_refine_ls_number_reflns         7406
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0387P)²+4.3565P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0920
_refine_ls_wR_factor_ref         0.0962
_reflns_number_gt                6291
_reflns_number_total             7406
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b901711a.txt
_cod_data_source_block           Ge2CF3CF3neutral
_cod_original_cell_volume        2985.3(3)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7001625
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.58198(3) 0.122309(8) 0.47908(3) 0.02364(8) Uani 1 1 d . . .
N1 N 0.6789(3) 0.10536(6) 0.3182(3) 0.0237(5) Uani 1 1 d . . .
Ge2 Ge 0.94991(3) 0.157204(8) 0.39914(4) 0.02628(8) Uani 1 1 d . . .
N2 N 0.8257(3) 0.11206(6) 0.3219(3) 0.0234(5) Uani 1 1 d . . .
N3 N 0.7830(3) 0.14881(6) 0.6262(3) 0.0248(5) Uani 1 1 d . . .
N4 N 0.9194(3) 0.15285(6) 0.6021(3) 0.0242(5) Uani 1 1 d . . .
N5 N 0.6218(3) 0.17949(7) 0.3327(3) 0.0292(5) Uani 1 1 d . . .
N6 N 0.7596(3) 0.18778(6) 0.3184(3) 0.0274(5) Uani 1 1 d . . .
N7 N 0.6892(3) 0.07745(7) 0.5980(3) 0.0278(5) Uani 1 1 d . . .
N8 N 0.8431(3) 0.07341(7) 0.6204(3) 0.0301(5) Uani 1 1 d . . .
F10 F 0.4225(2) 0.05757(7) 0.3051(2) 0.0582(6) Uani 1 1 d . . .
C10 C 0.4604(3) 0.06476(8) 0.1828(4) 0.0330(6) Uani 1 1 d . . .
C11 C 0.6246(3) 0.07758(7) 0.2237(3) 0.0255(5) Uani 1 1 d . . .
F11 F 0.3597(2) 0.08919(7) 0.1033(3) 0.0747(8) Uani 1 1 d . . .
F12 F 0.4360(2) 0.03541(6) 0.1004(2) 0.0491(5) Uani 1 1 d . . .
C12 C 0.7348(3) 0.06533(8) 0.1669(3) 0.0308(6) Uani 1 1 d . . .
H12A H 0.7265 0.0459 0.0988 0.037 Uiso 1 1 calc R . .
C13 C 0.8597(3) 0.08770(8) 0.2312(3) 0.0269(6) Uani 1 1 d . . .
F13 F 1.1296(3) 0.08624(10) 0.3442(3) 0.0865(10) Uani 1 1 d . . .
F14 F 1.0267(3) 0.05837(8) 0.1349(5) 0.1000(12) Uani 1 1 d . . .
C14 C 1.0154(4) 0.08626(9) 0.2131(4) 0.0382(7) Uani 1 1 d . . .
F15 F 1.0410(3) 0.11481(8) 0.1417(4) 0.0763(8) Uani 1 1 d . . .
C20 C 0.6863(4) 0.15430(10) 0.8428(4) 0.0374(7) Uani 1 1 d . . .
F20 F 0.5831(11) 0.1299(4) 0.7917(15) 0.086(5) Uani 0.57(3) 1 d P A 1
F20' F 0.5664(13) 0.1726(7) 0.757(2) 0.092(5) Uani 0.43(3) 1 d P A 2
C21 C 0.8130(3) 0.15442(8) 0.7756(3) 0.0286(6) Uani 1 1 d . A .
F21 F 0.614(2) 0.1855(3) 0.825(2) 0.092(4) Uani 0.57(3) 1 d P A 1
F21' F 0.7293(19) 0.1657(8) 0.976(2) 0.095(7) Uani 0.43(3) 1 d P A 2
F22 F 0.7445(14) 0.1507(3) 0.9935(11) 0.064(3) Uani 0.57(3) 1 d P A 1
F22' F 0.631(3) 0.1223(4) 0.844(3) 0.095(6) Uani 0.43(3) 1 d P A 2
C22 C 0.9683(4) 0.16197(9) 0.8508(4) 0.0334(6) Uani 1 1 d . . .
H22A H 1.0199 0.1670 0.9564 0.040 Uiso 1 1 calc R A .
C23 C 1.0308(3) 0.16060(8) 0.7378(3) 0.0293(6) Uani 1 1 d . A .
F23 F 1.2863(3) 0.16838(11) 0.8963(3) 0.0916(11) Uani 1 1 d . A .
F24 F 1.2490(2) 0.14030(7) 0.6875(3) 0.0668(7) Uani 1 1 d . A .
C24 C 1.1971(4) 0.16645(11) 0.7525(4) 0.0423(8) Uani 1 1 d . . .
F25 F 1.2150(3) 0.19614(7) 0.6834(3) 0.0701(7) Uani 1 1 d . A .
F30 F 0.2922(2) 0.17398(7) 0.2226(3) 0.0607(6) Uani 1 1 d . . .
C30 C 0.3605(4) 0.20543(10) 0.2600(5) 0.0458(8) Uani 1 1 d . . .
C31 C 0.5239(4) 0.20560(8) 0.2632(4) 0.0333(6) Uani 1 1 d . . .
F31 F 0.3510(3) 0.21354(12) 0.3927(4) 0.1083(13) Uani 1 1 d . . .
C32 C 0.5954(4) 0.23148(9) 0.2021(4) 0.0393(7) Uani 1 1 d . . .
H32A H 0.5510 0.2526 0.1472 0.047 Uiso 1 1 calc R . .
F32 F 0.2726(3) 0.22788(8) 0.1562(4) 0.0968(11) Uani 1 1 d . . .
F33 F 0.8300(3) 0.26503(6) 0.1223(3) 0.0656(7) Uani 1 1 d . . .
C33 C 0.7440(4) 0.21916(8) 0.2398(3) 0.0308(6) Uani 1 1 d . . .
F34 F 0.9436(3) 0.21445(7) 0.1367(3) 0.0643(7) Uani 1 1 d . . .
C34 C 0.8770(4) 0.23616(9) 0.2090(4) 0.0405(8) Uani 1 1 d . . .
F35 F 0.9905(3) 0.24633(7) 0.3356(3) 0.0595(6) Uani 1 1 d . . .
C40 C 0.4826(3) 0.04751(9) 0.6721(4) 0.0324(6) Uani 1 1 d . . .
F40 F 0.4800(2) 0.04418(8) 0.8121(2) 0.0653(7) Uani 1 1 d . . .
C41 C 0.6442(3) 0.05099(8) 0.6726(3) 0.0260(5) Uani 1 1 d . . .
F41 F 0.4104(3) 0.01872(7) 0.5966(3) 0.0682(7) Uani 1 1 d . . .
F42 F 0.3942(2) 0.07527(6) 0.6073(3) 0.0486(5) Uani 1 1 d . . .
C42 C 0.7689(3) 0.02934(8) 0.7457(4) 0.0337(7) Uani 1 1 d . . .
H42A H 0.7726 0.0087 0.8067 0.040 Uiso 1 1 calc R . .
C43 C 0.8891(3) 0.04493(8) 0.7086(4) 0.0309(6) Uani 1 1 d . . .
F43 F 1.1499(3) 0.06066(9) 0.7742(5) 0.1189(16) Uani 1 1 d . . .
F44 F 1.1027(3) 0.01688(7) 0.8894(3) 0.0651(7) Uani 1 1 d . . .
C44 C 1.0541(4) 0.03328(10) 0.7547(4) 0.0449(8) Uani 1 1 d . . .
F45 F 1.0807(4) 0.01108(13) 0.6617(4) 0.1305(18) Uani 1 1 d . . .
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'
F F 0.0171 0.0103 '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
N7 Ge1 N1 84.20(9) . . ?
N7 Ge1 N3 83.50(9) . . ?
N1 Ge1 N3 96.53(9) . . ?
C11 N1 N2 107.2(2) . . ?
C11 N1 Ge1 123.56(18) . . ?
N2 N1 Ge1 126.39(17) . . ?
N6 Ge2 N4 90.54(9) . . ?
N6 Ge2 N2 91.84(9) . . ?
N4 Ge2 N2 91.23(9) . . ?
C13 N2 N1 107.8(2) . . ?
C13 N2 Ge2 123.98(18) . . ?
N1 N2 Ge2 126.37(17) . . ?
C21 N3 N4 107.0(2) . . ?
C21 N3 Ge1 124.14(19) . . ?
N4 N3 Ge1 126.07(18) . . ?
C23 N4 N3 107.9(2) . . ?
C23 N4 Ge2 123.73(19) . . ?
N3 N4 Ge2 127.27(18) . . ?
C31 N5 N6 106.2(2) . . ?
N5 N6 C33 108.9(2) . . ?
N5 N6 Ge2 123.73(18) . . ?
C33 N6 Ge2 127.3(2) . . ?
C41 N7 N8 109.1(2) . . ?
C41 N7 Ge1 134.12(18) . . ?
N8 N7 Ge1 116.53(18) . . ?
C43 N8 N7 105.8(2) . . ?
F12 C10 F11 107.7(3) . . ?
F12 C10 F10 107.0(3) . . ?
F11 C10 F10 106.2(3) . . ?
F12 C10 C11 111.5(3) . . ?
F11 C10 C11 111.4(3) . . ?
F10 C10 C11 112.8(3) . . ?
N1 C11 C12 110.9(2) . . ?
N1 C11 C10 121.6(3) . . ?
C12 C11 C10 127.3(3) . . ?
C13 C12 C11 104.1(3) . . ?
C13 C12 H12A 128.0 . . ?
C11 C12 H12A 128.0 . . ?
N2 C13 C12 110.0(2) . . ?
N2 C13 C14 122.3(3) . . ?
C12 C13 C14 127.7(3) . . ?
F14 C14 F13 109.4(3) . . ?
F14 C14 F15 107.4(3) . . ?
F13 C14 F15 104.4(3) . . ?
F14 C14 C13 111.1(3) . . ?
F13 C14 C13 112.2(3) . . ?
F15 C14 C13 112.0(3) . . ?
F21' C20 F20 123.5(10) . . ?
F21' C20 F22' 107.1(11) . . ?
F21' C20 F20' 110.0(9) . . ?
F20 C20 F20' 77.8(9) . . ?
F22' C20 F20' 103.8(10) . . ?
F21' C20 F21 78.0(9) . . ?
F20 C20 F21 108.0(8) . . ?
F22' C20 F21 129.2(9) . . ?
F20 C20 F22 107.1(8) . . ?
F22' C20 F22 84.9(11) . . ?
F20' C20 F22 130.2(9) . . ?
F21 C20 F22 102.7(7) . . ?
F21' C20 C21 113.4(7) . . ?
F20 C20 C21 115.2(6) . . ?
F22' C20 C21 111.6(8) . . ?
F20' C20 C21 110.5(6) . . ?
F21 C20 C21 111.8(5) . . ?
F22 C20 C21 111.2(6) . . ?
N3 C21 C22 111.0(3) . . ?
N3 C21 C20 121.9(3) . . ?
C22 C21 C20 126.9(3) . . ?
C23 C22 C21 103.8(3) . . ?
C23 C22 H22A 128.1 . . ?
C21 C22 H22A 128.1 . . ?
N4 C23 C22 110.4(3) . . ?
N4 C23 C24 121.9(3) . . ?
C22 C23 C24 127.8(3) . . ?
F23 C24 F25 108.4(3) . . ?
F23 C24 F24 108.4(3) . . ?
F25 C24 F24 105.5(3) . . ?
F23 C24 C23 110.6(3) . . ?
F25 C24 C23 112.0(3) . . ?
F24 C24 C23 111.7(3) . . ?
F31 C30 F30 105.9(4) . . ?
F31 C30 F32 108.8(4) . . ?
F30 C30 F32 105.0(3) . . ?
F31 C30 C31 112.5(3) . . ?
F30 C30 C31 113.0(3) . . ?
F32 C30 C31 111.3(3) . . ?
N5 C31 C32 111.8(3) . . ?
N5 C31 C30 120.6(3) . . ?
C32 C31 C30 127.5(3) . . ?
C33 C32 C31 103.4(3) . . ?
C33 C32 H32A 128.3 . . ?
C31 C32 H32A 128.3 . . ?
N6 C33 C32 109.6(3) . . ?
N6 C33 C34 122.1(3) . . ?
C32 C33 C34 128.3(3) . . ?
F33 C34 F35 107.3(3) . . ?
F33 C34 F34 107.0(3) . . ?
F35 C34 F34 105.6(3) . . ?
F33 C34 C33 110.6(3) . . ?
F35 C34 C33 112.9(3) . . ?
F34 C34 C33 113.1(3) . . ?
F40 C40 F42 107.7(3) . . ?
F40 C40 F41 105.7(3) . . ?
F42 C40 F41 106.2(3) . . ?
F40 C40 C41 111.7(2) . . ?
F42 C40 C41 112.6(2) . . ?
F41 C40 C41 112.6(3) . . ?
N7 C41 C42 109.5(2) . . ?
N7 C41 C40 123.1(3) . . ?
C42 C41 C40 127.4(3) . . ?
C41 C42 C43 103.1(3) . . ?
C41 C42 H42A 128.5 . . ?
C43 C42 H42A 128.5 . . ?
N8 C43 C42 112.6(3) . . ?
N8 C43 C44 119.1(3) . . ?
C42 C43 C44 128.4(3) . . ?
F45 C44 F43 108.5(4) . . ?
F45 C44 F44 105.3(3) . . ?
F43 C44 F44 103.9(3) . . ?
F45 C44 C43 114.1(3) . . ?
F43 C44 C43 112.1(3) . . ?
F44 C44 C43 112.2(3) . . ?
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 N7 2.056(2) . ?
Ge1 N1 2.093(2) . ?
Ge1 N3 2.117(2) . ?
N1 C11 1.337(4) . ?
N1 N2 1.357(3) . ?
Ge2 N6 1.996(2) . ?
Ge2 N4 2.016(2) . ?
Ge2 N2 2.017(2) . ?
N2 C13 1.350(4) . ?
N3 C21 1.340(4) . ?
N3 N4 1.354(3) . ?
N4 C23 1.349(4) . ?
N5 C31 1.328(4) . ?
N5 N6 1.352(3) . ?
N6 C33 1.361(4) . ?
N7 C41 1.353(4) . ?
N7 N8 1.360(3) . ?
N8 C43 1.318(4) . ?
F10 C10 1.332(4) . ?
C10 F12 1.310(4) . ?
C10 F11 1.323(4) . ?
C10 C11 1.495(4) . ?
C11 C12 1.374(4) . ?
C12 C13 1.372(4) . ?
C12 H12A 0.9500 . ?
C13 C14 1.496(4) . ?
F13 C14 1.301(4) . ?
F14 C14 1.294(4) . ?
C14 F15 1.319(4) . ?
C20 F21' 1.240(12) . ?
C20 F20 1.278(10) . ?
C20 F22' 1.296(13) . ?
C20 F20' 1.303(12) . ?
C20 F21 1.318(8) . ?
C20 F22 1.324(9) . ?
C20 C21 1.501(4) . ?
C21 C22 1.378(4) . ?
C22 C23 1.367(4) . ?
C22 H22A 0.9500 . ?
C23 C24 1.498(4) . ?
F23 C24 1.305(4) . ?
F24 C24 1.322(4) . ?
C24 F25 1.319(4) . ?
F30 C30 1.317(4) . ?
C30 F31 1.307(5) . ?
C30 F32 1.319(4) . ?
C30 C31 1.488(5) . ?
C31 C32 1.396(5) . ?
C32 C33 1.362(5) . ?
C32 H32A 0.9500 . ?
F33 C34 1.324(4) . ?
C33 C34 1.488(4) . ?
F34 C34 1.332(4) . ?
C34 F35 1.326(4) . ?
C40 F40 1.321(4) . ?
C40 F42 1.322(4) . ?
C40 F41 1.326(4) . ?
C40 C41 1.485(4) . ?
C41 C42 1.369(4) . ?
C42 C43 1.392(4) . ?
C42 H42A 0.9500 . ?
C43 C44 1.484(4) . ?
F43 C44 1.317(5) . ?
F44 C44 1.326(4) . ?
C44 F45 1.283(5) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N7 Ge1 N1 C11 74.6(2) . . . . ?
N3 Ge1 N1 C11 157.3(2) . . . . ?
N7 Ge1 N1 N2 -83.8(2) . . . . ?
N3 Ge1 N1 N2 -1.1(2) . . . . ?
C11 N1 N2 C13 -1.1(3) . . . . ?
Ge1 N1 N2 C13 160.18(19) . . . . ?
C11 N1 N2 Ge2 163.73(19) . . . . ?
Ge1 N1 N2 Ge2 -35.0(3) . . . . ?
N6 Ge2 N2 C13 126.5(2) . . . . ?
N4 Ge2 N2 C13 -143.0(2) . . . . ?
N6 Ge2 N2 N1 -36.0(2) . . . . ?
N4 Ge2 N2 N1 54.5(2) . . . . ?
N7 Ge1 N3 C21 -71.9(2) . . . . ?
N1 Ge1 N3 C21 -155.2(2) . . . . ?
N7 Ge1 N3 N4 86.6(2) . . . . ?
N1 Ge1 N3 N4 3.2(2) . . . . ?
C21 N3 N4 C23 0.5(3) . . . . ?
Ge1 N3 N4 C23 -161.00(19) . . . . ?
C21 N3 N4 Ge2 -167.63(19) . . . . ?
Ge1 N3 N4 Ge2 30.9(3) . . . . ?
N6 Ge2 N4 C23 -127.0(2) . . . . ?
N2 Ge2 N4 C23 141.2(2) . . . . ?
N6 Ge2 N4 N3 39.4(2) . . . . ?
N2 Ge2 N4 N3 -52.4(2) . . . . ?
C31 N5 N6 C33 0.1(3) . . . . ?
C31 N5 N6 Ge2 -178.9(2) . . . . ?
N4 Ge2 N6 N5 -47.7(2) . . . . ?
N2 Ge2 N6 N5 43.5(2) . . . . ?
N4 Ge2 N6 C33 133.4(2) . . . . ?
N2 Ge2 N6 C33 -135.3(2) . . . . ?
N1 Ge1 N7 C41 -134.8(3) . . . . ?
N3 Ge1 N7 C41 127.9(3) . . . . ?
N1 Ge1 N7 N8 51.3(2) . . . . ?
N3 Ge1 N7 N8 -46.0(2) . . . . ?
C41 N7 N8 C43 -0.4(3) . . . . ?
Ge1 N7 N8 C43 175.0(2) . . . . ?
N2 N1 C11 C12 1.2(3) . . . . ?
Ge1 N1 C11 C12 -160.8(2) . . . . ?
N2 N1 C11 C10 -175.0(2) . . . . ?
Ge1 N1 C11 C10 23.0(4) . . . . ?
F12 C10 C11 N1 -174.2(3) . . . . ?
F11 C10 C11 N1 65.4(4) . . . . ?
F10 C10 C11 N1 -53.8(4) . . . . ?
F12 C10 C11 C12 10.2(4) . . . . ?
F11 C10 C11 C12 -110.1(4) . . . . ?
F10 C10 C11 C12 130.7(3) . . . . ?
N1 C11 C12 C13 -0.7(3) . . . . ?
C10 C11 C12 C13 175.2(3) . . . . ?
N1 N2 C13 C12 0.7(3) . . . . ?
Ge2 N2 C13 C12 -164.6(2) . . . . ?
N1 N2 C13 C14 -177.6(3) . . . . ?
Ge2 N2 C13 C14 17.1(4) . . . . ?
C11 C12 C13 N2 0.0(3) . . . . ?
C11 C12 C13 C14 178.2(3) . . . . ?
N2 C13 C14 F14 172.7(3) . . . . ?
C12 C13 C14 F14 -5.2(5) . . . . ?
N2 C13 C14 F13 49.8(4) . . . . ?
C12 C13 C14 F13 -128.1(4) . . . . ?
N2 C13 C14 F15 -67.1(4) . . . . ?
C12 C13 C14 F15 114.9(4) . . . . ?
N4 N3 C21 C22 -0.3(3) . . . . ?
Ge1 N3 C21 C22 161.6(2) . . . . ?
N4 N3 C21 C20 176.3(3) . . . . ?
Ge1 N3 C21 C20 -21.8(4) . . . . ?
F21' C20 C21 N3 -168.7(16) . . . . ?
F20 C20 C21 N3 41.1(10) . . . . ?
F22' C20 C21 N3 70.2(14) . . . . ?
F20' C20 C21 N3 -44.7(14) . . . . ?
F21 C20 C21 N3 -82.7(11) . . . . ?
F22 C20 C21 N3 163.1(7) . . . . ?
F21' C20 C21 C22 7.3(16) . . . . ?
F20 C20 C21 C22 -142.9(9) . . . . ?
F22' C20 C21 C22 -113.8(14) . . . . ?
F20' C20 C21 C22 131.3(14) . . . . ?
F21 C20 C21 C22 93.3(11) . . . . ?
F22 C20 C21 C22 -20.8(8) . . . . ?
N3 C21 C22 C23 0.0(4) . . . . ?
C20 C21 C22 C23 -176.4(3) . . . . ?
N3 N4 C23 C22 -0.5(3) . . . . ?
Ge2 N4 C23 C22 168.1(2) . . . . ?
N3 N4 C23 C24 179.4(3) . . . . ?
Ge2 N4 C23 C24 -11.9(4) . . . . ?
C21 C22 C23 N4 0.3(4) . . . . ?
C21 C22 C23 C24 -179.6(3) . . . . ?
N4 C23 C24 F23 -170.9(3) . . . . ?
C22 C23 C24 F23 9.1(5) . . . . ?
N4 C23 C24 F25 68.1(4) . . . . ?
C22 C23 C24 F25 -112.0(4) . . . . ?
N4 C23 C24 F24 -50.0(4) . . . . ?
C22 C23 C24 F24 129.9(4) . . . . ?
N6 N5 C31 C32 0.0(4) . . . . ?
N6 N5 C31 C30 -178.7(3) . . . . ?
F31 C30 C31 N5 73.2(4) . . . . ?
F30 C30 C31 N5 -46.6(5) . . . . ?
F32 C30 C31 N5 -164.4(3) . . . . ?
F31 C30 C31 C32 -105.2(5) . . . . ?
F30 C30 C31 C32 135.0(4) . . . . ?
F32 C30 C31 C32 17.2(5) . . . . ?
N5 C31 C32 C33 -0.1(4) . . . . ?
C30 C31 C32 C33 178.4(3) . . . . ?
N5 N6 C33 C32 -0.2(3) . . . . ?
Ge2 N6 C33 C32 178.8(2) . . . . ?
N5 N6 C33 C34 178.1(3) . . . . ?
Ge2 N6 C33 C34 -2.9(4) . . . . ?
C31 C32 C33 N6 0.1(4) . . . . ?
C31 C32 C33 C34 -178.0(3) . . . . ?
N6 C33 C34 F33 175.8(3) . . . . ?
C32 C33 C34 F33 -6.2(5) . . . . ?
N6 C33 C34 F35 -64.0(4) . . . . ?
C32 C33 C34 F35 114.0(4) . . . . ?
N6 C33 C34 F34 55.9(4) . . . . ?
C32 C33 C34 F34 -126.2(4) . . . . ?
N8 N7 C41 C42 0.3(3) . . . . ?
Ge1 N7 C41 C42 -174.0(2) . . . . ?
N8 N7 C41 C40 179.9(3) . . . . ?
Ge1 N7 C41 C40 5.6(5) . . . . ?
F40 C40 C41 N7 -129.1(3) . . . . ?
F42 C40 C41 N7 -7.7(4) . . . . ?
F41 C40 C41 N7 112.2(3) . . . . ?
F40 C40 C41 C42 50.4(4) . . . . ?
F42 C40 C41 C42 171.8(3) . . . . ?
F41 C40 C41 C42 -68.3(4) . . . . ?
N7 C41 C42 C43 0.0(4) . . . . ?
C40 C41 C42 C43 -179.6(3) . . . . ?
N7 N8 C43 C42 0.4(4) . . . . ?
N7 N8 C43 C44 -180.0(3) . . . . ?
C41 C42 C43 N8 -0.3(4) . . . . ?
C41 C42 C43 C44 -179.8(3) . . . . ?
N8 C43 C44 F45 -89.5(5) . . . . ?
C42 C43 C44 F45 90.0(5) . . . . ?
N8 C43 C44 F43 34.3(5) . . . . ?
C42 C43 C44 F43 -146.1(4) . . . . ?
N8 C43 C44 F44 150.8(3) . . . . ?
C42 C43 C44 F44 -29.7(5) . . . . ?
