#------------------------------------------------------------------------------
#$Date: 2022-01-07 01:04:59 +0200 (Fri, 07 Jan 2022) $
#$Revision: 271898 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/39/2243977.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2243977
loop_
_publ_author_name
'Tarlton, Michael L.'
'Kelley, Steven P.'
'Walensky, Justin R.'
_publ_section_title
;
 Crystal structures of metallocene complexes with uranium--germanium bonds
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1258
_journal_page_last               1262
_journal_paper_doi               10.1107/S2056989021011269
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          '[Ge U (C10 H15)2 (C8 H3 F6)2 F H]'
_chemical_formula_moiety         'C37 H39 F13 Ge U'
_chemical_formula_sum            'C37 H39 F13 Ge U'
_chemical_formula_weight         1041.30
_chemical_name_systematic
Bis[3,5-bis(trifluoromethyl)phenyl-2κC¹](fluorido-1κI)(hydrido-2κH)bis[1,1(η⁵)-pentamethylcyclopentadienyl]germaniumuranium(Ge---U)
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_cell_angle_alpha                90
_cell_angle_beta                 95.028(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   34.160(3)
_cell_length_b                   13.5237(11)
_cell_length_c                   16.2986(13)
_cell_measurement_reflns_used    9918
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.29
_cell_measurement_theta_min      2.34
_cell_volume                     7500.5(11)
_computing_cell_refinement
;
APEX3 and SAINT Bruker, 2015)
;
_computing_data_collection
;
APEX3 (Bruker, 2015)
;
_computing_data_reduction
;
APEX3 and SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_structure_refinement
;
ShelXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
ShelXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0808
_diffrn_reflns_av_unetI/netI     0.0506
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            65643
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.455
_diffrn_reflns_theta_min         1.620
_exptl_absorpt_coefficient_mu    5.205
_exptl_absorpt_correction_T_max  0.5624
_exptl_absorpt_correction_T_min  0.5010
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2015)
;
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_description       prism
_exptl_crystal_F_000             4016
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.680
_refine_diff_density_min         -0.782
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     492
_refine_ls_number_reflns         7720
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0412
_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)+(0.0441P)²+21.6495P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0941
_reflns_number_gt                5563
_reflns_number_total             7720
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            vm2256sup1.cif
_cod_data_source_block           2
_cod_original_cell_volume        7500.4(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2243977
_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   0.624
_shelx_estimated_absorpt_t_max   0.681
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U U1 0.37698(2) 0.91030(2) 0.40571(2) 0.03137(8) Uani d 1 . .
Ge Ge1 0.34983(2) 0.70121(4) 0.35878(4) 0.02943(15) Uani d 1 . .
F F1 0.38083(14) 0.9430(4) 0.2718(3) 0.0798(14) Uani d 1 . .
F F1A 0.4259(6) 0.6888(19) 0.0809(14) 0.059(7) Uiso d 0.25 A 2
F F2 0.36774(11) 0.6810(3) 0.6963(2) 0.0528(10) Uani d 1 . .
F F2A 0.4111(7) 0.5508(19) 0.0457(14) 0.070(6) Uiso d 0.25 A 2
F F3 0.30596(11) 0.7033(3) 0.6925(2) 0.0527(10) Uani d 1 . .
F F3A 0.4673(6) 0.5837(17) 0.0875(12) 0.064(5) Uiso d 0.25 A 2
F F4 0.33071(13) 0.5681(3) 0.7388(2) 0.0590(11) Uani d 1 . .
F F5 0.2643(2) 0.3420(4) 0.5447(4) 0.125(3) Uani d 1 . .
F F6 0.30011(16) 0.3142(4) 0.4505(5) 0.128(3) Uani d 1 . .
F F7 0.24878(18) 0.3913(4) 0.4284(4) 0.106(2) Uani d 1 . .
F F8 0.42298(13) 0.3341(3) 0.3844(3) 0.0679(13) Uani d 1 . .
F F9 0.45845(18) 0.3155(4) 0.2866(3) 0.102(2) Uani d 1 . .
F F10 0.47779(16) 0.4025(4) 0.3882(4) 0.103(2) Uani d 1 . .
F F11 0.39263(19) 0.6235(7) 0.0486(3) 0.088(2) Uani d 0.75 A 1
F F12 0.4469(3) 0.6813(7) 0.0902(4) 0.089(3) Uani d 0.75 A 1
F F13 0.4411(4) 0.5303(5) 0.0554(4) 0.102(3) Uani d 0.75 A 1
C C1 0.30338(17) 0.9809(5) 0.3689(4) 0.0377(15) Uani d 1 . .
C C2 0.30009(17) 0.9202(5) 0.4381(4) 0.0359(14) Uani d 1 . .
C C3 0.32110(17) 0.9643(5) 0.5051(4) 0.0349(15) Uani d 1 . .
C C4 0.33680(19) 1.0537(5) 0.4790(5) 0.0451(17) Uani d 1 . .
C C5 0.3263(2) 1.0616(5) 0.3930(5) 0.0456(18) Uani d 1 . .
C C6 0.28286(19) 0.9627(6) 0.2847(4) 0.057(2) Uani d 1 . .
H H6A 0.302274 0.944506 0.246500 0.086 Uiso calc 1 . .
H H6B 0.269101 1.022952 0.265059 0.086 Uiso calc 1 . .
H H6C 0.263849 0.908854 0.287715 0.086 Uiso calc 1 . .
C C7 0.27336(17) 0.8335(5) 0.4455(5) 0.0482(18) Uani d 1 . .
H H7A 0.264189 0.809488 0.390379 0.072 Uiso calc 1 . .
H H7B 0.250742 0.853633 0.474574 0.072 Uiso calc 1 . .
H H7C 0.287652 0.780550 0.476327 0.072 Uiso calc 1 . .
C C8 0.3214(2) 0.9282(6) 0.5923(4) 0.0526(19) Uani d 1 . .
H H8A 0.330927 0.859888 0.595617 0.079 Uiso calc 1 . .
H H8B 0.294675 0.930990 0.609746 0.079 Uiso calc 1 . .
H H8C 0.338746 0.970290 0.628403 0.079 Uiso calc 1 . .
C C9 0.3541(2) 1.1334(6) 0.5340(6) 0.077(3) Uani d 1 . .
H H9A 0.369275 1.103688 0.581581 0.115 Uiso calc 1 . .
H H9B 0.333002 1.174235 0.553025 0.115 Uiso calc 1 . .
H H9C 0.371460 1.174702 0.503573 0.115 Uiso calc 1 . .
C C10 0.3358(3) 1.1463(6) 0.3375(6) 0.076(3) Uani d 1 . .
H H10A 0.356864 1.186643 0.365227 0.114 Uiso calc 1 . .
H H10B 0.312351 1.187129 0.325362 0.114 Uiso calc 1 . .
H H10C 0.344460 1.119977 0.286069 0.114 Uiso calc 1 . .
C C11 0.45358(18) 0.9564(6) 0.4048(5) 0.0511(19) Uani d 1 . .
C C12 0.45269(17) 0.8548(6) 0.4005(4) 0.0464(18) Uani d 1 . .
C C13 0.44244(16) 0.8168(5) 0.4758(4) 0.0367(15) Uani d 1 . .
C C14 0.43624(16) 0.8966(5) 0.5274(4) 0.0374(15) Uani d 1 . .
C C15 0.44352(18) 0.9842(5) 0.4837(5) 0.0457(17) Uani d 1 . .
C C16 0.4660(2) 1.0261(9) 0.3402(6) 0.110(4) Uani d 1 . .
H H16A 0.459523 0.997306 0.285517 0.165 Uiso calc 1 . .
H H16B 0.494410 1.037220 0.348837 0.165 Uiso calc 1 . .
H H16C 0.452177 1.089153 0.344149 0.165 Uiso calc 1 . .
C C17 0.4655(2) 0.7930(8) 0.3298(5) 0.090(3) Uani d 1 . .
H H17A 0.456631 0.724666 0.335665 0.135 Uiso calc 1 . .
H H17B 0.494219 0.794334 0.330707 0.135 Uiso calc 1 . .
H H17C 0.453917 0.820165 0.277461 0.135 Uiso calc 1 . .
C C18 0.4437(2) 0.7100(5) 0.5018(5) 0.065(2) Uani d 1 . .
H H18A 0.426927 0.700429 0.546950 0.097 Uiso calc 1 . .
H H18B 0.470798 0.691613 0.520396 0.097 Uiso calc 1 . .
H H18C 0.434235 0.668309 0.455030 0.097 Uiso calc 1 . .
C C19 0.4270(2) 0.8889(7) 0.6161(4) 0.064(2) Uani d 1 . .
H H19A 0.420021 0.954337 0.636099 0.096 Uiso calc 1 . .
H H19B 0.450102 0.863895 0.649682 0.096 Uiso calc 1 . .
H H19C 0.404921 0.843410 0.620074 0.096 Uiso calc 1 . .
C C20 0.4470(2) 1.0879(6) 0.5166(7) 0.084(3) Uani d 1 . .
H H20A 0.430763 1.132280 0.480334 0.126 Uiso calc 1 . .
H H20B 0.474508 1.109160 0.518893 0.126 Uiso calc 1 . .
H H20C 0.438032 1.089872 0.572071 0.126 Uiso calc 1 . .
C C21 0.33441(17) 0.6153(4) 0.4498(4) 0.0304(13) Uani d 1 . .
C C22 0.34129(16) 0.6465(4) 0.5310(4) 0.0298(13) Uani d 1 . .
H H22 0.355005 0.706794 0.542250 0.036 Uiso calc 1 . .
C C23 0.32877(16) 0.5925(4) 0.5960(4) 0.0298(13) Uani d 1 . .
C C24 0.30822(17) 0.5052(4) 0.5809(4) 0.0355(15) Uani d 1 . .
H H24 0.299070 0.468129 0.624861 0.043 Uiso calc 1 . .
C C25 0.30132(17) 0.4732(4) 0.5005(4) 0.0331(14) Uani d 1 . .
C C26 0.31381(16) 0.5275(4) 0.4362(4) 0.0325(14) Uani d 1 . .
H H26 0.308182 0.504397 0.381438 0.039 Uiso calc 1 . .
C C27 0.33361(18) 0.6341(5) 0.6810(4) 0.0374(15) Uani d 1 . .
C C28 0.2795(2) 0.3801(5) 0.4824(5) 0.0458(17) Uani d 1 . .
C C29 0.38704(17) 0.6139(4) 0.3047(4) 0.0322(14) Uani d 1 . .
C C30 0.40422(16) 0.5301(4) 0.3407(4) 0.0313(13) Uani d 1 . .
H H30 0.399218 0.513209 0.395424 0.038 Uiso calc 1 . .
C C31 0.42879(17) 0.4699(4) 0.2982(4) 0.0328(14) Uani d 1 . .
C C32 0.43653(18) 0.4931(5) 0.2190(4) 0.0353(14) Uani d 1 . .
H H32 0.453532 0.452673 0.190272 0.042 Uiso calc 1 . .
C C33 0.41927(19) 0.5758(4) 0.1818(4) 0.0345(14) Uani d 1 . .
C C34 0.39482(17) 0.6349(5) 0.2230(4) 0.0338(14) Uani d 1 . .
H H34 0.382949 0.691027 0.196017 0.041 Uiso calc 1 . .
C C35 0.4467(2) 0.3801(5) 0.3383(4) 0.0454(17) Uani d 1 . .
C C36 0.4265(2) 0.6010(5) 0.0957(4) 0.0425(16) Uani d 1 . .
C C37 0.30396(19) 0.6882(5) 0.2750(4) 0.0440(16) Uani d 1 . .
H H37A 0.280389 0.714353 0.297535 0.066 Uiso calc 1 . .
H H37B 0.299901 0.618264 0.260811 0.066 Uiso calc 1 . .
H H37C 0.309036 0.725430 0.225470 0.066 Uiso calc 1 . .
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'
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'
U U -9.6767 9.6646 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
F1 U1 C5 . . 82.3(2) ?
F1 U1 C11 . . 78.98(19) ?
C5 U1 C11 . . 116.4(2) ?
F1 U1 C15 . . 105.5(2) ?
C5 U1 C15 . . 105.4(2) ?
C11 U1 C15 . . 30.4(2) ?
F1 U1 C12 . . 83.48(19) ?
C5 U1 C12 . . 145.5(2) ?
C11 U1 C12 . . 29.5(2) ?
C15 U1 C12 . . 49.3(2) ?
F1 U1 C1 . . 81.23(17) ?
C5 U1 C1 . . 29.7(2) ?
C11 U1 C1 . . 143.3(2) ?
C15 U1 C1 . . 134.6(2) ?
C12 U1 C1 . . 164.6(2) ?
F1 U1 C3 . . 129.29(18) ?
C5 U1 C3 . . 49.87(19) ?
C11 U1 C3 . . 132.6(2) ?
C15 U1 C3 . . 103.1(2) ?
C12 U1 C3 . . 145.1(2) ?
C1 U1 C3 . . 49.31(18) ?
F1 U1 C4 . . 111.3(2) ?
C5 U1 C4 . . 30.5(2) ?
C11 U1 C4 . . 111.5(2) ?
C15 U1 C4 . . 88.0(2) ?
C12 U1 C4 . . 137.3(2) ?
C1 U1 C4 . . 49.4(2) ?
C3 U1 C4 . . 29.99(19) ?
F1 U1 C14 . . 128.42(18) ?
C5 U1 C14 . . 123.0(2) ?
C11 U1 C14 . . 49.9(2) ?
C15 U1 C14 . . 30.33(19) ?
C12 U1 C14 . . 49.38(19) ?
C1 U1 C14 . . 143.59(19) ?
C3 U1 C14 . . 95.79(18) ?
C4 U1 C14 . . 95.8(2) ?
F1 U1 C2 . . 108.56(18) ?
C5 U1 C2 . . 49.49(19) ?
C11 U1 C2 . . 160.6(2) ?
C15 U1 C2 . . 132.6(2) ?
C12 U1 C2 . . 163.9(2) ?
C1 U1 C2 . . 30.00(18) ?
C3 U1 C2 . . 29.58(18) ?
C4 U1 C2 . . 49.20(19) ?
C14 U1 C2 . . 122.10(19) ?
F1 U1 C13 . . 112.51(18) ?
C5 U1 C13 . . 152.4(2) ?
C11 U1 C13 . . 49.4(2) ?
C15 U1 C13 . . 49.38(19) ?
C12 U1 C13 . . 29.9(2) ?
C1 U1 C13 . . 165.14(19) ?
C3 U1 C13 . . 117.94(19) ?
C4 U1 C13 . . 125.0(2) ?
C14 U1 C13 . . 29.71(18) ?
C2 U1 C13 . . 135.15(19) ?
F1 U1 Ge1 . . 88.92(14) ?
C5 U1 Ge1 . . 120.59(16) ?
C11 U1 Ge1 . . 119.17(19) ?
C15 U1 Ge1 . . 133.34(14) ?
C12 U1 Ge1 . . 90.33(16) ?
C1 U1 Ge1 . . 90.88(15) ?
C3 U1 Ge1 . . 100.65(14) ?
C4 U1 Ge1 . . 128.17(14) ?
C14 U1 Ge1 . . 108.11(14) ?
C2 U1 Ge1 . . 79.47(13) ?
C13 U1 Ge1 . . 84.01(13) ?
C21 Ge1 C37 . . 102.4(3) ?
C21 Ge1 C29 . . 101.7(2) ?
C37 Ge1 C29 . . 97.9(3) ?
C21 Ge1 U1 . . 116.65(17) ?
C37 Ge1 U1 . . 117.2(2) ?
C29 Ge1 U1 . . 117.87(16) ?
C5 C1 C2 . . 108.5(6) ?
C5 C1 C6 . . 126.6(6) ?
C2 C1 C6 . . 124.8(6) ?
C5 C1 U1 . . 73.9(4) ?
C2 C1 U1 . . 75.8(3) ?
C6 C1 U1 . . 119.6(4) ?
C3 C2 C1 . . 107.9(6) ?
C3 C2 C7 . . 123.3(6) ?
C1 C2 C7 . . 127.9(6) ?
C3 C2 U1 . . 74.5(3) ?
C1 C2 U1 . . 74.2(3) ?
C7 C2 U1 . . 125.6(4) ?
C2 C3 C4 . . 108.5(6) ?
C2 C3 C8 . . 124.4(6) ?
C4 C3 C8 . . 126.6(6) ?
C2 C3 U1 . . 75.9(3) ?
C4 C3 U1 . . 75.1(3) ?
C8 C3 U1 . . 122.1(4) ?
C3 C4 C5 . . 107.1(6) ?
C3 C4 C9 . . 125.6(7) ?
C5 C4 C9 . . 126.2(7) ?
C3 C4 U1 . . 74.9(3) ?
C5 C4 U1 . . 73.3(4) ?
C9 C4 U1 . . 126.3(5) ?
C1 C5 C4 . . 108.0(6) ?
C1 C5 C10 . . 125.1(7) ?
C4 C5 C10 . . 126.8(7) ?
C1 C5 U1 . . 76.4(4) ?
C4 C5 U1 . . 76.2(4) ?
C10 C5 U1 . . 117.0(5) ?
C1 C6 H6A . . 109.5 ?
C1 C6 H6B . . 109.5 ?
H6A C6 H6B . . 109.5 ?
C1 C6 H6C . . 109.5 ?
H6A C6 H6C . . 109.5 ?
H6B C6 H6C . . 109.5 ?
C2 C7 H7A . . 109.5 ?
C2 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
C2 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
C3 C8 H8A . . 109.5 ?
C3 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C3 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C4 C9 H9A . . 109.5 ?
C4 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C4 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C5 C10 H10A . . 109.5 ?
C5 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
C5 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
C12 C11 C15 . . 107.8(6) ?
C12 C11 C16 . . 126.7(9) ?
C15 C11 C16 . . 125.3(9) ?
C12 C11 U1 . . 75.6(4) ?
C15 C11 U1 . . 75.0(3) ?
C16 C11 U1 . . 118.9(5) ?
C11 C12 C13 . . 109.2(6) ?
C11 C12 C17 . . 125.5(8) ?
C13 C12 C17 . . 124.9(8) ?
C11 C12 U1 . . 74.8(4) ?
C13 C12 U1 . . 76.2(3) ?
C17 C12 U1 . . 121.1(4) ?
C14 C13 C12 . . 107.8(6) ?
C14 C13 C18 . . 125.1(7) ?
C12 C13 C18 . . 126.5(7) ?
C14 C13 U1 . . 74.5(3) ?
C12 C13 U1 . . 73.9(4) ?
C18 C13 U1 . . 124.4(4) ?
C13 C14 C15 . . 107.5(6) ?
C13 C14 C19 . . 125.4(7) ?
C15 C14 C19 . . 126.9(7) ?
C13 C14 U1 . . 75.8(3) ?
C15 C14 U1 . . 74.2(4) ?
C19 C14 U1 . . 120.0(4) ?
C11 C15 C14 . . 107.7(6) ?
C11 C15 C20 . . 123.8(8) ?
C14 C15 C20 . . 127.8(8) ?
C11 C15 U1 . . 74.6(4) ?
C14 C15 U1 . . 75.5(3) ?
C20 C15 U1 . . 123.5(5) ?
C11 C16 H16A . . 109.5 ?
C11 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
C11 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C12 C17 H17A . . 109.5 ?
C12 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C12 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C13 C18 H18A . . 109.5 ?
C13 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
C13 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
C14 C19 H19A . . 109.5 ?
C14 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C14 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C15 C20 H20A . . 109.5 ?
C15 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
C15 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
C26 C21 C22 . . 116.9(5) ?
C26 C21 Ge1 . . 123.0(4) ?
C22 C21 Ge1 . . 119.9(4) ?
C23 C22 C21 . . 122.0(5) ?
C23 C22 H22 . . 119.0 ?
C21 C22 H22 . . 119.0 ?
C24 C23 C22 . . 120.0(5) ?
C24 C23 C27 . . 120.1(5) ?
C22 C23 C27 . . 119.6(5) ?
C25 C24 C23 . . 118.5(6) ?
C25 C24 H24 . . 120.7 ?
C23 C24 H24 . . 120.7 ?
C26 C25 C24 . . 121.1(6) ?
C26 C25 C28 . . 119.1(6) ?
C24 C25 C28 . . 119.8(6) ?
C25 C26 C21 . . 121.4(6) ?
C25 C26 H26 . . 119.3 ?
C21 C26 H26 . . 119.3 ?
F4 C27 F2 . . 108.1(5) ?
F4 C27 F3 . . 105.9(5) ?
F2 C27 F3 . . 104.8(5) ?
F4 C27 C23 . . 113.8(5) ?
F2 C27 C23 . . 112.2(5) ?
F3 C27 C23 . . 111.6(5) ?
F6 C28 F5 . . 108.5(7) ?
F6 C28 F7 . . 104.0(7) ?
F5 C28 F7 . . 102.6(7) ?
F6 C28 C25 . . 113.0(6) ?
F5 C28 C25 . . 114.5(6) ?
F7 C28 C25 . . 113.2(6) ?
C30 C29 C34 . . 117.3(5) ?
C30 C29 Ge1 . . 124.1(4) ?
C34 C29 Ge1 . . 118.5(4) ?
C29 C30 C31 . . 121.2(5) ?
C29 C30 H30 . . 119.4 ?
C31 C30 H30 . . 119.4 ?
C32 C31 C30 . . 120.4(6) ?
C32 C31 C35 . . 119.6(5) ?
C30 C31 C35 . . 120.0(5) ?
C31 C32 C33 . . 119.2(5) ?
C31 C32 H32 . . 120.4 ?
C33 C32 H32 . . 120.4 ?
C34 C33 C32 . . 120.8(6) ?
C34 C33 C36 . . 119.2(6) ?
C32 C33 C36 . . 120.0(5) ?
C33 C34 C29 . . 121.2(6) ?
C33 C34 H34 . . 119.4 ?
C29 C34 H34 . . 119.4 ?
F9 C35 F8 . . 107.1(6) ?
F9 C35 F10 . . 106.0(6) ?
F8 C35 F10 . . 105.2(6) ?
F9 C35 C31 . . 113.7(6) ?
F8 C35 C31 . . 113.0(5) ?
F10 C35 C31 . . 111.3(6) ?
F2A C36 F1A . . 115.9(18) ?
F13 C36 F12 . . 110.8(8) ?
F13 C36 F11 . . 103.0(7) ?
F12 C36 F11 . . 102.0(7) ?
F2A C36 F3A . . 103.2(15) ?
F1A C36 F3A . . 98.2(13) ?
F2A C36 C33 . . 115.4(12) ?
F1A C36 C33 . . 114.2(12) ?
F13 C36 C33 . . 114.6(6) ?
F12 C36 C33 . . 113.1(6) ?
F11 C36 C33 . . 112.2(6) ?
F3A C36 C33 . . 107.2(10) ?
Ge1 C37 H37A . . 109.5 ?
Ge1 C37 H37B . . 109.5 ?
H37A C37 H37B . . 109.5 ?
Ge1 C37 H37C . . 109.5 ?
H37A C37 H37C . . 109.5 ?
H37B C37 H37C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
U1 F1 . 2.243(5) ?
U1 C5 . 2.676(6) ?
U1 C11 . 2.691(6) ?
U1 C15 . 2.697(6) ?
U1 C12 . 2.701(6) ?
U1 C1 . 2.707(6) ?
U1 C3 . 2.710(5) ?
U1 C4 . 2.712(6) ?
U1 C14 . 2.713(6) ?
U1 C2 . 2.727(6) ?
U1 C13 . 2.731(6) ?
U1 Ge1 . 3.0524(7) ?
Ge1 C21 . 1.991(6) ?
Ge1 C37 . 1.994(6) ?
Ge1 C29 . 1.996(6) ?
F1A C36 . 1.21(2) ?
F2 C27 . 1.331(7) ?
F2A C36 . 1.15(2) ?
F3 C27 . 1.354(7) ?
F3A C36 . 1.43(2) ?
F4 C27 . 1.308(7) ?
F5 C28 . 1.288(8) ?
F6 C28 . 1.274(8) ?
F7 C28 . 1.319(9) ?
F8 C35 . 1.309(8) ?
F9 C35 . 1.302(8) ?
F10 C35 . 1.315(8) ?
F11 C36 . 1.367(9) ?
F12 C36 . 1.296(9) ?
F13 C36 . 1.284(8) ?
C1 C5 . 1.381(9) ?
C1 C2 . 1.407(8) ?
C1 C6 . 1.506(9) ?
C2 C3 . 1.388(9) ?
C2 C7 . 1.498(9) ?
C3 C4 . 1.403(9) ?
C3 C8 . 1.502(9) ?
C4 C5 . 1.419(10) ?
C4 C9 . 1.491(10) ?
C5 C10 . 1.512(9) ?
C6 H6A . 0.9800 ?
C6 H6B . 0.9800 ?
C6 H6C . 0.9800 ?
C7 H7A . 0.9800 ?
C7 H7B . 0.9800 ?
C7 H7C . 0.9800 ?
C8 H8A . 0.9800 ?
C8 H8B . 0.9800 ?
C8 H8C . 0.9800 ?
C9 H9A . 0.9800 ?
C9 H9B . 0.9800 ?
C9 H9C . 0.9800 ?
C10 H10A . 0.9800 ?
C10 H10B . 0.9800 ?
C10 H10C . 0.9800 ?
C11 C12 . 1.375(11) ?
C11 C15 . 1.411(10) ?
C11 C16 . 1.501(10) ?
C12 C13 . 1.403(9) ?
C12 C17 . 1.519(10) ?
C13 C14 . 1.396(9) ?
C13 C18 . 1.505(9) ?
C14 C15 . 1.415(9) ?
C14 C19 . 1.510(9) ?
C15 C20 . 1.502(10) ?
C16 H16A . 0.9800 ?
C16 H16B . 0.9800 ?
C16 H16C . 0.9800 ?
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 H19A . 0.9800 ?
C19 H19B . 0.9800 ?
C19 H19C . 0.9800 ?
C20 H20A . 0.9800 ?
C20 H20B . 0.9800 ?
C20 H20C . 0.9800 ?
C21 C26 . 1.388(8) ?
C21 C22 . 1.389(8) ?
C22 C23 . 1.386(8) ?
C22 H22 . 0.9500 ?
C23 C24 . 1.384(8) ?
C23 C27 . 1.491(9) ?
C24 C25 . 1.380(8) ?
C24 H24 . 0.9500 ?
C25 C26 . 1.377(8) ?
C25 C28 . 1.479(9) ?
C26 H26 . 0.9500 ?
C29 C30 . 1.383(8) ?
C29 C34 . 1.410(8) ?
C30 C31 . 1.397(8) ?
C30 H30 . 0.9500 ?
C31 C32 . 1.377(8) ?
C31 C35 . 1.485(9) ?
C32 C33 . 1.379(8) ?
C32 H32 . 0.9500 ?
C33 C34 . 1.374(8) ?
C33 C36 . 1.486(9) ?
C34 H34 . 0.9500 ?
C37 H37A . 0.9800 ?
C37 H37B . 0.9800 ?
C37 H37C . 0.9800 ?

_cod_database_fobs_code 2243977
