#------------------------------------------------------------------------------
#$Date: 2020-04-04 07:14:30 +0300 (Sat, 04 Apr 2020) $
#$Revision: 250073 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/43/4134380.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_4134380
loop_
_publ_author_name
'Nguyen, Minh Tho'
'Gusev, Dmitry'
'Dmitrienko, Anton'
'Gabidullin, Bulat M.'
'Spasyuk, Denis'
'Pilkington, Melanie'
'Nikonov, Georgii I.'
_publ_section_title
;
 Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and
 Ambiphilic Reactivity.
;
_journal_issue                   12
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5852
_journal_page_last               5861
_journal_paper_doi               10.1021/jacs.0c01283
_journal_volume                  142
_journal_year                    2020
_chemical_formula_sum            'C55 H50 Cl12 Ge N4 O4'
_chemical_formula_weight         1328.98
_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-2017/1
_cell_angle_alpha                85.175(3)
_cell_angle_beta                 82.476(3)
_cell_angle_gamma                78.104(3)
_cell_formula_units_Z            2
_cell_length_a                   9.0522(6)
_cell_length_b                   12.8275(9)
_cell_length_c                   25.9222(19)
_cell_measurement_reflns_used    9961
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.57
_cell_measurement_theta_min      2.34
_cell_volume                     2914.9(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_unetI/netI     0.0363
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            101054
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.665
_diffrn_reflns_theta_min         0.794
_exptl_absorpt_coefficient_mu    1.124
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6610
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_description       plate
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.228
_refine_diff_density_min         -1.466
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     693
_refine_ls_number_reflns         14820
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0530
_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)+(0.0344P)²+7.0305P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1112
_refine_ls_wR_factor_ref         0.1174
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12581
_reflns_number_total             14820
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja0c01283_si_007.cif
_cod_data_source_block           TT_0m_a
_cod_depositor_comments
'Adding full bibliography for 4134378--4134383.cif.'
_cod_database_code               4134380
_shelx_shelxl_version_number     2017/1
_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.
;
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 0.26949(3) 0.26994(2) 0.75173(2) 0.01418(7) Uani 1 1 d . . . . .
Cl1 Cl 0.12918(9) 0.59940(6) 0.84070(3) 0.03092(16) Uani 1 1 d . . . . .
Cl2 Cl 0.27594(10) 0.57136(7) 0.94581(3) 0.0397(2) Uani 1 1 d . . . . .
Cl3 Cl 0.49610(9) 0.35648(8) 0.97370(3) 0.0386(2) Uani 1 1 d . . . . .
Cl4 Cl 0.56170(8) 0.16883(6) 0.89627(3) 0.02752(15) Uani 1 1 d . . . . .
Cl5 Cl 0.62133(9) 0.34471(6) 0.60488(3) 0.02949(16) Uani 1 1 d . . . . .
Cl6 Cl 0.70541(10) 0.15098(7) 0.53099(3) 0.03533(18) Uani 1 1 d . . . . .
Cl7 Cl 0.56793(11) -0.05417(7) 0.56295(3) 0.0381(2) Uani 1 1 d . . . . .
Cl8 Cl 0.34458(8) -0.06249(5) 0.66709(3) 0.02725(15) Uani 1 1 d . . . . .
Cl9 Cl 0.8002(2) 0.42473(9) 0.86382(4) 0.0803(5) Uani 1 1 d . . . . .
Cl10 Cl 0.65064(16) 0.64157(9) 0.88359(5) 0.0744(4) Uani 1 1 d . . . . .
Cl11 Cl 1.0313(2) -0.09648(17) 0.36833(6) 0.1063(6) Uani 1 1 d . . . . .
Cl12 Cl 0.9923(2) 0.10412(15) 0.42197(8) 0.1050(6) Uani 1 1 d . . . . .
N1 N 0.1148(2) 0.15452(17) 0.84576(8) 0.0157(4) Uani 1 1 d . . . . .
N2 N -0.0379(2) 0.21149(16) 0.78126(8) 0.0144(4) Uani 1 1 d . . . . .
N3 N 0.1243(2) 0.39307(17) 0.66210(9) 0.0170(4) Uani 1 1 d . . . . .
N4 N -0.0524(2) 0.34798(17) 0.72661(8) 0.0151(4) Uani 1 1 d . . . . .
O1 O 0.2198(2) 0.40442(14) 0.77926(8) 0.0196(4) Uani 1 1 d . . . . .
O2 O 0.3894(2) 0.22403(14) 0.80388(7) 0.0166(4) Uani 1 1 d . . . . .
O3 O 0.4080(2) 0.30520(14) 0.69868(7) 0.0175(4) Uani 1 1 d . . . . .
O4 O 0.2966(2) 0.13559(15) 0.72487(8) 0.0191(4) Uani 1 1 d . . . . .
C1 C 0.2794(3) 0.3993(2) 0.82423(10) 0.0171(5) Uani 1 1 d . . . . .
C2 C 0.2501(3) 0.4822(2) 0.85760(11) 0.0220(6) Uani 1 1 d . . . . .
C3 C 0.3172(3) 0.4685(2) 0.90392(12) 0.0253(6) Uani 1 1 d . . . . .
C4 C 0.4144(3) 0.3732(3) 0.91633(11) 0.0259(6) Uani 1 1 d . . . . .
C5 C 0.4425(3) 0.2889(2) 0.88281(11) 0.0202(5) Uani 1 1 d . . . . .
C6 C 0.3731(3) 0.3017(2) 0.83765(10) 0.0162(5) Uani 1 1 d . . . . .
C7 C 0.1917(3) 0.0844(2) 0.88432(10) 0.0165(5) Uani 1 1 d . . . . .
C8 C 0.1707(3) 0.1231(2) 0.93478(11) 0.0209(5) Uani 1 1 d . . . . .
C9 C 0.2461(4) 0.0602(3) 0.97366(12) 0.0292(7) Uani 1 1 d . . . . .
H9 H 0.231062 0.084018 1.008037 0.035 Uiso 1 1 calc R U . . .
C10 C 0.3425(4) -0.0363(3) 0.96298(12) 0.0312(7) Uani 1 1 d . . . . .
H10 H 0.392420 -0.078604 0.989894 0.037 Uiso 1 1 calc R U . . .
C11 C 0.3656(3) -0.0707(2) 0.91292(12) 0.0258(6) Uani 1 1 d . . . . .
H11 H 0.433385 -0.136357 0.905829 0.031 Uiso 1 1 calc R U . . .
C12 C 0.2922(3) -0.0119(2) 0.87226(11) 0.0192(5) Uani 1 1 d . . . . .
C13 C 0.0635(3) 0.2289(2) 0.94655(12) 0.0254(6) Uani 1 1 d . . . . .
H13 H 0.069857 0.277573 0.914460 0.030 Uiso 1 1 calc R U . . .
C14 C 0.1029(4) 0.2849(3) 0.99120(14) 0.0369(8) Uani 1 1 d . . . . .
H14A H 0.074572 0.247745 1.024482 0.055 Uiso 1 1 calc R U . . .
H14B H 0.047110 0.358953 0.990779 0.055 Uiso 1 1 calc R U . . .
H14C H 0.212405 0.283772 0.986949 0.055 Uiso 1 1 calc R U . . .
C15 C -0.1002(4) 0.2128(3) 0.95783(15) 0.0368(8) Uani 1 1 d . . . . .
H15A H -0.128550 0.183988 0.927538 0.055 Uiso 1 1 calc R U . . .
H15B H -0.167950 0.281451 0.964965 0.055 Uiso 1 1 calc R U . . .
H15C H -0.109186 0.162745 0.988237 0.055 Uiso 1 1 calc R U . . .
C16 C 0.3330(3) -0.0518(2) 0.81771(11) 0.0202(5) Uani 1 1 d . . . . .
H16 H 0.267417 -0.003073 0.793983 0.024 Uiso 1 1 calc R U . . .
C17 C 0.3049(4) -0.1655(2) 0.81530(14) 0.0306(7) Uani 1 1 d . . . . .
H17A H 0.370503 -0.215051 0.837498 0.046 Uiso 1 1 calc R U . . .
H17B H 0.327947 -0.186922 0.779260 0.046 Uiso 1 1 calc R U . . .
H17C H 0.198174 -0.166951 0.827614 0.046 Uiso 1 1 calc R U . . .
C18 C 0.4991(3) -0.0484(2) 0.79820(13) 0.0268(6) Uani 1 1 d . . . . .
H18A H 0.515690 0.024463 0.799226 0.040 Uiso 1 1 calc R U . . .
H18B H 0.522397 -0.070723 0.762309 0.040 Uiso 1 1 calc R U . . .
H18C H 0.565565 -0.096812 0.820569 0.040 Uiso 1 1 calc R U . . .
C19 C 0.0207(3) 0.1291(2) 0.81994(10) 0.0153(5) Uani 1 1 d . . . . .
C20 C -0.0385(3) 0.0295(2) 0.82006(10) 0.0162(5) Uani 1 1 d . . . . .
C21 C -0.0773(3) -0.0268(2) 0.86663(11) 0.0215(6) Uani 1 1 d . . . . .
H21 H -0.071708 0.000299 0.899176 0.026 Uiso 1 1 calc R U . . .
C22 C -0.1242(3) -0.1230(2) 0.86484(13) 0.0278(6) Uani 1 1 d . . . . .
H22 H -0.153029 -0.160978 0.896353 0.033 Uiso 1 1 calc R U . . .
C23 C -0.1291(3) -0.1637(2) 0.81757(13) 0.0276(7) Uani 1 1 d . . . . .
H23 H -0.157227 -0.230864 0.816781 0.033 Uiso 1 1 calc R U . . .
C24 C -0.0933(3) -0.1072(2) 0.77135(13) 0.0263(6) Uani 1 1 d . . . . .
H24 H -0.099404 -0.134609 0.738932 0.032 Uiso 1 1 calc R U . . .
C25 C -0.0483(3) -0.0100(2) 0.77254(11) 0.0205(5) Uani 1 1 d . . . . .
H25 H -0.024213 0.029226 0.740902 0.025 Uiso 1 1 calc R U . . .
C26 C 0.0451(3) 0.27745(19) 0.75375(9) 0.0135(5) Uani 1 1 d . . . . .
C27 C -0.1888(3) 0.2396(2) 0.77074(11) 0.0193(5) Uani 1 1 d . . . . .
H27 H -0.269450 0.204828 0.784817 0.023 Uiso 1 1 calc R U . . .
C28 C -0.1980(3) 0.3253(2) 0.73687(11) 0.0191(5) Uani 1 1 d . . . . .
H28 H -0.286614 0.363184 0.722637 0.023 Uiso 1 1 calc R U . . .
C29 C -0.0041(3) 0.4262(2) 0.68716(10) 0.0149(5) Uani 1 1 d . . . . .
C30 C -0.1119(3) 0.5299(2) 0.68466(10) 0.0154(5) Uani 1 1 d . . . . .
C31 C -0.1858(3) 0.5749(2) 0.73050(11) 0.0193(5) Uani 1 1 d . . . . .
H31 H -0.173301 0.536207 0.763049 0.023 Uiso 1 1 calc R U . . .
C32 C -0.2778(3) 0.6760(2) 0.72895(12) 0.0236(6) Uani 1 1 d . . . . .
H32 H -0.327640 0.706314 0.760377 0.028 Uiso 1 1 calc R U . . .
C33 C -0.2968(3) 0.7326(2) 0.68165(13) 0.0277(6) Uani 1 1 d . . . . .
H33 H -0.358904 0.801983 0.680653 0.033 Uiso 1 1 calc R U . . .
C34 C -0.2254(4) 0.6882(2) 0.63572(12) 0.0279(6) Uani 1 1 d . . . . .
H34 H -0.239916 0.727092 0.603326 0.033 Uiso 1 1 calc R U . . .
C35 C -0.1328(3) 0.5874(2) 0.63666(11) 0.0219(6) Uani 1 1 d . . . . .
H35 H -0.083803 0.557454 0.605066 0.026 Uiso 1 1 calc R U . . .
C36 C 0.1950(3) 0.4574(2) 0.62235(10) 0.0170(5) Uani 1 1 d . . . . .
C37 C 0.2471(3) 0.5482(2) 0.63323(11) 0.0195(5) Uani 1 1 d . . . . .
C38 C 0.3165(3) 0.6038(2) 0.59125(12) 0.0276(6) Uani 1 1 d . . . . .
H38 H 0.352440 0.665536 0.597565 0.033 Uiso 1 1 calc R U . . .
C39 C 0.3341(4) 0.5715(3) 0.54108(12) 0.0320(7) Uani 1 1 d . . . . .
H39 H 0.378593 0.611914 0.513117 0.038 Uiso 1 1 calc R U . . .
C40 C 0.2866(4) 0.4800(3) 0.53181(12) 0.0317(7) Uani 1 1 d . . . . .
H40 H 0.300884 0.457324 0.497241 0.038 Uiso 1 1 calc R U . . .
C41 C 0.2182(3) 0.4200(2) 0.57173(11) 0.0234(6) Uani 1 1 d . . . . .
C42 C 0.2377(3) 0.5859(2) 0.68777(11) 0.0208(5) Uani 1 1 d . . . . .
H42 H 0.178987 0.540586 0.712233 0.025 Uiso 1 1 calc R U . . .
C43 C 0.3974(4) 0.5711(3) 0.70465(13) 0.0305(7) Uani 1 1 d . . . . .
H43A H 0.448266 0.496081 0.702540 0.046 Uiso 1 1 calc R U . . .
H43B H 0.389383 0.591772 0.740612 0.046 Uiso 1 1 calc R U . . .
H43C H 0.456548 0.615945 0.681588 0.046 Uiso 1 1 calc R U . . .
C44 C 0.1544(4) 0.7027(2) 0.69170(14) 0.0323(7) Uani 1 1 d . . . . .
H44A H 0.212006 0.749071 0.668971 0.048 Uiso 1 1 calc R U . . .
H44B H 0.145391 0.722698 0.727813 0.048 Uiso 1 1 calc R U . . .
H44C H 0.052780 0.710908 0.680809 0.048 Uiso 1 1 calc R U . . .
C45 C 0.1647(4) 0.3203(3) 0.56080(14) 0.0344(7) Uani 1 1 d . . . . .
H45 H 0.164784 0.273506 0.593672 0.041 Uiso 1 1 calc R U . . .
C46 C 0.2672(5) 0.2561(3) 0.51849(16) 0.0490(10) Uani 1 1 d . . . . .
H46A H 0.258858 0.296061 0.484720 0.074 Uiso 1 1 calc R U . . .
H46B H 0.236045 0.187674 0.517217 0.074 Uiso 1 1 calc R U . . .
H46C H 0.372748 0.243213 0.526249 0.074 Uiso 1 1 calc R U . . .
C47 C 0.0028(4) 0.3478(4) 0.5472(3) 0.0744(18) Uani 1 1 d . . . . .
H47A H -0.063877 0.384326 0.575829 0.112 Uiso 1 1 calc R U . . .
H47B H -0.030818 0.282195 0.541529 0.112 Uiso 1 1 calc R U . . .
H47C H -0.001542 0.394720 0.515312 0.112 Uiso 1 1 calc R U . . .
C48 C 0.3912(3) 0.1329(2) 0.68036(10) 0.0173(5) Uani 1 1 d . . . . .
C49 C 0.4523(3) 0.2246(2) 0.66604(10) 0.0166(5) Uani 1 1 d . . . . .
C50 C 0.5497(3) 0.2297(2) 0.62078(11) 0.0213(5) Uani 1 1 d . . . . .
C51 C 0.5871(3) 0.1428(2) 0.58861(11) 0.0242(6) Uani 1 1 d . . . . .
C52 C 0.5263(3) 0.0522(2) 0.60263(11) 0.0238(6) Uani 1 1 d . . . . .
C53 C 0.4272(3) 0.0472(2) 0.64868(11) 0.0200(5) Uani 1 1 d . . . . .
C54 C 0.7662(5) 0.5266(3) 0.90706(15) 0.0498(10) Uani 1 1 d . . . . .
H54A H 0.717116 0.501717 0.940933 0.060 Uiso 1 1 calc R U . . .
H54B H 0.864361 0.543458 0.913032 0.060 Uiso 1 1 calc R U . . .
C55 C 0.9402(6) -0.0184(5) 0.42192(19) 0.0729(16) Uani 1 1 d . . . . .
H55A H 0.828803 -0.006335 0.421352 0.088 Uiso 1 1 calc R U . . .
H55B H 0.964027 -0.059777 0.454805 0.088 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Ge1 O3 101.56(8) . . ?
O2 Ge1 O1 88.58(8) . . ?
O3 Ge1 O1 95.63(8) . . ?
O2 Ge1 O4 94.91(8) . . ?
O3 Ge1 O4 88.70(8) . . ?
O1 Ge1 O4 173.80(8) . . ?
O2 Ge1 C26 128.14(9) . . ?
O3 Ge1 C26 130.30(9) . . ?
O1 Ge1 C26 86.85(9) . . ?
O4 Ge1 C26 86.96(9) . . ?
C19 N1 C7 123.9(2) . . ?
C26 N2 C27 110.3(2) . . ?
C26 N2 C19 124.0(2) . . ?
C27 N2 C19 125.6(2) . . ?
C29 N3 C36 122.9(2) . . ?
C26 N4 C28 110.2(2) . . ?
C26 N4 C29 123.3(2) . . ?
C28 N4 C29 126.1(2) . . ?
C1 O1 Ge1 109.19(16) . . ?
C6 O2 Ge1 109.99(16) . . ?
C49 O3 Ge1 109.94(16) . . ?
C48 O4 Ge1 109.07(16) . . ?
O1 C1 C2 124.0(2) . . ?
O1 C1 C6 116.0(2) . . ?
C2 C1 C6 120.0(2) . . ?
C1 C2 C3 119.5(3) . . ?
C1 C2 Cl1 118.6(2) . . ?
C3 C2 Cl1 121.9(2) . . ?
C4 C3 C2 120.5(3) . . ?
C4 C3 Cl2 120.6(2) . . ?
C2 C3 Cl2 118.9(2) . . ?
C3 C4 C5 119.9(3) . . ?
C3 C4 Cl3 120.3(2) . . ?
C5 C4 Cl3 119.7(2) . . ?
C6 C5 C4 119.5(3) . . ?
C6 C5 Cl4 118.5(2) . . ?
C4 C5 Cl4 122.0(2) . . ?
O2 C6 C5 123.7(2) . . ?
O2 C6 C1 115.8(2) . . ?
C5 C6 C1 120.5(2) . . ?
C12 C7 C8 121.5(2) . . ?
C12 C7 N1 122.8(2) . . ?
C8 C7 N1 115.4(2) . . ?
C9 C8 C7 118.3(3) . . ?
C9 C8 C13 121.2(3) . . ?
C7 C8 C13 120.5(2) . . ?
C10 C9 C8 121.1(3) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
C11 C10 C9 119.6(3) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C10 C11 C12 122.1(3) . . ?
C10 C11 H11 118.9 . . ?
C12 C11 H11 118.9 . . ?
C11 C12 C7 117.3(3) . . ?
C11 C12 C16 118.4(2) . . ?
C7 C12 C16 124.1(2) . . ?
C15 C13 C8 110.3(3) . . ?
C15 C13 C14 109.7(3) . . ?
C8 C13 C14 114.2(3) . . ?
C15 C13 H13 107.5 . . ?
C8 C13 H13 107.5 . . ?
C14 C13 H13 107.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 C18 110.3(2) . . ?
C12 C16 C17 112.1(2) . . ?
C18 C16 C17 109.9(2) . . ?
C12 C16 H16 108.1 . . ?
C18 C16 H16 108.1 . . ?
C17 C16 H16 108.1 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N1 C19 N2 114.3(2) . . ?
N1 C19 C20 132.1(2) . . ?
N2 C19 C20 113.6(2) . . ?
C25 C20 C21 120.1(2) . . ?
C25 C20 C19 118.6(2) . . ?
C21 C20 C19 121.1(2) . . ?
C22 C21 C20 119.2(3) . . ?
C22 C21 H21 120.4 . . ?
C20 C21 H21 120.4 . . ?
C23 C22 C21 120.5(3) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 120.4(3) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C25 119.7(3) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C20 C25 C24 120.0(3) . . ?
C20 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
N2 C26 N4 105.9(2) . . ?
N2 C26 Ge1 127.11(18) . . ?
N4 C26 Ge1 126.93(18) . . ?
C28 C27 N2 106.8(2) . . ?
C28 C27 H27 126.6 . . ?
N2 C27 H27 126.6 . . ?
C27 C28 N4 106.8(2) . . ?
C27 C28 H28 126.6 . . ?
N4 C28 H28 126.6 . . ?
N3 C29 N4 113.5(2) . . ?
N3 C29 C30 131.9(2) . . ?
N4 C29 C30 114.6(2) . . ?
C31 C30 C35 119.3(2) . . ?
C31 C30 C29 119.9(2) . . ?
C35 C30 C29 120.7(2) . . ?
C32 C31 C30 120.5(3) . . ?
C32 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
C33 C32 C31 120.0(3) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 120.1(3) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C33 C34 C35 120.5(3) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C34 C35 C30 119.6(3) . . ?
C34 C35 H35 120.2 . . ?
C30 C35 H35 120.2 . . ?
C37 C36 C41 121.6(2) . . ?
C37 C36 N3 122.6(2) . . ?
C41 C36 N3 115.7(2) . . ?
C38 C37 C36 117.4(3) . . ?
C38 C37 C42 118.9(3) . . ?
C36 C37 C42 123.6(2) . . ?
C39 C38 C37 122.0(3) . . ?
C39 C38 H38 119.0 . . ?
C37 C38 H38 119.0 . . ?
C38 C39 C40 119.4(3) . . ?
C38 C39 H39 120.3 . . ?
C40 C39 H39 120.3 . . ?
C39 C40 C41 121.8(3) . . ?
C39 C40 H40 119.1 . . ?
C41 C40 H40 119.1 . . ?
C40 C41 C36 117.7(3) . . ?
C40 C41 C45 121.2(3) . . ?
C36 C41 C45 121.0(3) . . ?
C37 C42 C43 110.3(2) . . ?
C37 C42 C44 112.0(2) . . ?
C43 C42 C44 110.5(2) . . ?
C37 C42 H42 108.0 . . ?
C43 C42 H42 108.0 . . ?
C44 C42 H42 108.0 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C47 C45 C41 110.8(3) . . ?
C47 C45 C46 110.0(3) . . ?
C41 C45 C46 113.6(3) . . ?
C47 C45 H45 107.4 . . ?
C41 C45 H45 107.4 . . ?
C46 C45 H45 107.4 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O4 C48 C53 123.8(2) . . ?
O4 C48 C49 116.1(2) . . ?
C53 C48 C49 120.1(2) . . ?
O3 C49 C50 123.7(2) . . ?
O3 C49 C48 116.0(2) . . ?
C50 C49 C48 120.3(2) . . ?
C49 C50 C51 119.8(3) . . ?
C49 C50 Cl5 118.4(2) . . ?
C51 C50 Cl5 121.8(2) . . ?
C52 C51 C50 119.9(3) . . ?
C52 C51 Cl6 120.4(2) . . ?
C50 C51 Cl6 119.6(2) . . ?
C51 C52 C53 120.2(3) . . ?
C51 C52 Cl7 120.6(2) . . ?
C53 C52 Cl7 119.3(2) . . ?
C48 C53 C52 119.7(3) . . ?
C48 C53 Cl8 118.4(2) . . ?
C52 C53 Cl8 121.9(2) . . ?
Cl10 C54 Cl9 112.0(2) . . ?
Cl10 C54 H54A 109.2 . . ?
Cl9 C54 H54A 109.2 . . ?
Cl10 C54 H54B 109.2 . . ?
Cl9 C54 H54B 109.2 . . ?
H54A C54 H54B 107.9 . . ?
Cl12 C55 Cl11 114.5(3) . . ?
Cl12 C55 H55A 108.6 . . ?
Cl11 C55 H55A 108.6 . . ?
Cl12 C55 H55B 108.6 . . ?
Cl11 C55 H55B 108.6 . . ?
H55A C55 H55B 107.6 . . ?
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 O2 1.8273(18) . ?
Ge1 O3 1.8289(18) . ?
Ge1 O1 1.8684(18) . ?
Ge1 O4 1.8703(18) . ?
Ge1 C26 2.007(2) . ?
Cl1 C2 1.728(3) . ?
Cl2 C3 1.730(3) . ?
Cl3 C4 1.724(3) . ?
Cl4 C5 1.727(3) . ?
Cl5 C50 1.729(3) . ?
Cl6 C51 1.729(3) . ?
Cl7 C52 1.728(3) . ?
Cl8 C53 1.731(3) . ?
Cl9 C54 1.746(4) . ?
Cl10 C54 1.737(4) . ?
Cl11 C55 1.791(6) . ?
Cl12 C55 1.732(6) . ?
N1 C19 1.258(3) . ?
N1 C7 1.437(3) . ?
N2 C26 1.345(3) . ?
N2 C27 1.395(3) . ?
N2 C19 1.461(3) . ?
N3 C29 1.265(3) . ?
N3 C36 1.433(3) . ?
N4 C26 1.349(3) . ?
N4 C28 1.394(3) . ?
N4 C29 1.462(3) . ?
O1 C1 1.338(3) . ?
O2 C6 1.354(3) . ?
O3 C49 1.354(3) . ?
O4 C48 1.342(3) . ?
C1 C2 1.388(4) . ?
C1 C6 1.405(4) . ?
C2 C3 1.398(4) . ?
C3 C4 1.391(5) . ?
C4 C5 1.405(4) . ?
C5 C6 1.382(4) . ?
C7 C12 1.407(4) . ?
C7 C8 1.414(4) . ?
C8 C9 1.396(4) . ?
C8 C13 1.525(4) . ?
C9 C10 1.386(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.382(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.401(4) . ?
C11 H11 0.9500 . ?
C12 C16 1.518(4) . ?
C13 C15 1.524(4) . ?
C13 C14 1.529(4) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.530(4) . ?
C16 C17 1.539(4) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.484(3) . ?
C20 C25 1.391(4) . ?
C20 C21 1.396(4) . ?
C21 C22 1.392(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.381(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.384(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.393(4) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C27 C28 1.344(4) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.481(4) . ?
C30 C31 1.393(4) . ?
C30 C35 1.406(4) . ?
C31 C32 1.390(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.383(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.386(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.389(4) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C37 1.407(4) . ?
C36 C41 1.410(4) . ?
C37 C38 1.400(4) . ?
C37 C42 1.518(4) . ?
C38 C39 1.377(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.379(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.393(4) . ?
C40 H40 0.9500 . ?
C41 C45 1.518(4) . ?
C42 C43 1.535(4) . ?
C42 C44 1.537(4) . ?
C42 H42 1.0000 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C47 1.516(5) . ?
C45 C46 1.521(5) . ?
C45 H45 1.0000 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C53 1.387(4) . ?
C48 C49 1.402(4) . ?
C49 C50 1.378(4) . ?
C50 C51 1.407(4) . ?
C51 C52 1.388(4) . ?
C52 C53 1.401(4) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
