# Electronic Supplementary Material (ESI) for Faraday Discussions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ta5
_database_code_depnum_ccdc_archive 'CCDC 1912055'
loop_
_audit_author_name
_audit_author_address
'Beatrice Braun-Cula'
;Humboldt Universitaet zu Berlin
Germany
;
_audit_update_record             
;
2019-04-24 deposited with the CCDC.	2019-06-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H17 F3 Ge'
_chemical_formula_sum            'C21 H17 F3 Ge'
_chemical_formula_weight         398.93

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.1522(11)
_cell_length_b                   9.1254(4)
_cell_length_c                   19.5533(9)
_cell_angle_alpha                90
_cell_angle_beta                 107.649(2)
_cell_angle_gamma                90
_cell_volume                     3596.6(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9952
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      26.41

_exptl_crystal_description       fragment
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_F_000             1616
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.732
_shelx_estimated_absorpt_T_min   0.574
_shelx_estimated_absorpt_T_max   0.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6138
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36723
_diffrn_reflns_av_unetI/netI     0.0288
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.186
_diffrn_reflns_theta_max         26.412
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7353
_reflns_number_gt                6316
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-2013 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0265P)²+4.6616P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7353
_refine_ls_number_parameters     451
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0306
_refine_ls_wR_factor_ref         0.0706
_refine_ls_wR_factor_gt          0.0671
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.16151(2) 0.53585(2) 0.25340(2) 0.01408(6) Uani 1 1 d . . . . .
F1 F 0.07870(8) 0.28929(15) 0.15772(8) 0.0330(4) Uani 1 1 d . . . . .
F2 F 0.03790(8) 0.29002(16) 0.04247(8) 0.0351(4) Uani 1 1 d . . . . .
F3 F -0.01476(8) 0.39506(18) 0.10672(10) 0.0423(4) Uani 1 1 d . . . . .
C1 C 0.23812(11) 0.4079(2) 0.27008(12) 0.0155(4) Uani 1 1 d . . . . .
C2 C 0.24999(12) 0.3247(2) 0.21537(12) 0.0188(5) Uani 1 1 d . . . . .
H2 H 0.2182 0.3241 0.1691 0.023 Uiso 1 1 calc R U . . .
C3 C 0.30774(13) 0.2427(3) 0.22765(14) 0.0233(5) Uani 1 1 d . . . . .
H3 H 0.3152 0.1867 0.1899 0.028 Uiso 1 1 calc R U . . .
C4 C 0.35442(12) 0.2426(3) 0.29494(14) 0.0266(6) Uani 1 1 d . . . . .
H4 H 0.3943 0.1881 0.3032 0.032 Uiso 1 1 calc R U . . .
C5 C 0.34277(12) 0.3222(3) 0.35023(14) 0.0249(5) Uani 1 1 d . . . . .
H5 H 0.3742 0.3203 0.3967 0.030 Uiso 1 1 calc R U . . .
C6 C 0.28544(12) 0.4045(2) 0.33790(12) 0.0206(5) Uani 1 1 d . . . . .
H6 H 0.2781 0.4595 0.3761 0.025 Uiso 1 1 calc R U . . .
C7 C 0.19303(11) 0.7257(2) 0.29603(11) 0.0155(4) Uani 1 1 d . . . . .
C8 C 0.15105(12) 0.8205(2) 0.31793(12) 0.0209(5) Uani 1 1 d . . . . .
H8 H 0.1071 0.7905 0.3139 0.025 Uiso 1 1 calc R U . . .
C9 C 0.17284(13) 0.9581(3) 0.34559(14) 0.0262(5) Uani 1 1 d . . . . .
H9 H 0.1435 1.0218 0.3598 0.031 Uiso 1 1 calc R U . . .
C10 C 0.23698(14) 1.0029(3) 0.35256(13) 0.0257(5) Uani 1 1 d . . . . .
H10 H 0.2519 1.0966 0.3720 0.031 Uiso 1 1 calc R U . . .
C11 C 0.27937(13) 0.9104(3) 0.33106(13) 0.0239(5) Uani 1 1 d . . . . .
H11 H 0.3234 0.9408 0.3354 0.029 Uiso 1 1 calc R U . . .
C12 C 0.25736(12) 0.7728(2) 0.30308(12) 0.0198(5) Uani 1 1 d . . . . .
H12 H 0.2867 0.7099 0.2885 0.024 Uiso 1 1 calc R U . . .
C13 C 0.09544(11) 0.4609(2) 0.29518(12) 0.0167(4) Uani 1 1 d . . . . .
C14 C 0.03271(12) 0.5249(3) 0.27953(13) 0.0202(5) Uani 1 1 d . . . . .
H14 H 0.0211 0.6033 0.2461 0.024 Uiso 1 1 calc R U . . .
C15 C -0.01287(12) 0.4750(3) 0.31238(14) 0.0246(5) Uani 1 1 d . . . . .
H15 H -0.0553 0.5196 0.3015 0.029 Uiso 1 1 calc R U . . .
C16 C 0.00334(12) 0.3603(3) 0.36099(13) 0.0244(5) Uani 1 1 d . . . . .
H16 H -0.0278 0.3267 0.3837 0.029 Uiso 1 1 calc R U . . .
C17 C 0.06514(13) 0.2948(3) 0.37634(13) 0.0234(5) Uani 1 1 d . . . . .
H17 H 0.0762 0.2150 0.4090 0.028 Uiso 1 1 calc R U . . .
C18 C 0.11105(12) 0.3456(2) 0.34398(12) 0.0194(5) Uani 1 1 d . . . . .
H18 H 0.1536 0.3010 0.3553 0.023 Uiso 1 1 calc R U . . .
C19 C 0.12547(11) 0.5781(2) 0.15031(12) 0.0180(5) Uani 1 1 d . . . . .
H19 H 0.1434 0.6640 0.1360 0.022 Uiso 1 1 calc R U . . .
C20 C 0.08121(12) 0.5111(3) 0.09668(13) 0.0207(5) Uani 1 1 d . . . . .
H20 H 0.0708 0.5559 0.0508 0.025 Uiso 1 1 calc R U . . .
C21 C 0.04669(12) 0.3729(3) 0.10196(13) 0.0245(5) Uani 1 1 d . . . . .
Ge2 Ge 0.31848(2) 0.70163(2) 0.07384(2) 0.01552(6) Uani 1 1 d . . . . .
F4 F 0.46989(8) 0.6785(2) 0.07942(9) 0.0496(5) Uani 1 1 d . . . . .
F5 F 0.51093(9) 0.7410(3) -0.00422(10) 0.0597(6) Uani 1 1 d . . . . .
F6 F 0.49600(10) 0.9049(3) 0.06810(12) 0.0702(6) Uani 1 1 d . . . . .
C22 C 0.23677(11) 0.8069(2) 0.06660(12) 0.0169(5) Uani 1 1 d . . . . .
C23 C 0.22972(12) 0.8905(2) 0.12380(13) 0.0197(5) Uani 1 1 d . . . . .
H23 H 0.2647 0.8931 0.1678 0.024 Uiso 1 1 calc R U . . .
C24 C 0.17198(13) 0.9699(3) 0.11694(14) 0.0259(5) Uani 1 1 d . . . . .
H24 H 0.1677 1.0257 0.1563 0.031 Uiso 1 1 calc R U . . .
C25 C 0.12094(13) 0.9678(3) 0.05320(15) 0.0289(6) Uani 1 1 d . . . . .
H25 H 0.0817 1.0225 0.0487 0.035 Uiso 1 1 calc R U . . .
C26 C 0.12688(13) 0.8859(3) -0.00427(15) 0.0277(6) Uani 1 1 d . . . . .
H26 H 0.0917 0.8843 -0.0482 0.033 Uiso 1 1 calc R U . . .
C27 C 0.18433(12) 0.8062(3) 0.00250(13) 0.0216(5) Uani 1 1 d . . . . .
H27 H 0.1881 0.7502 -0.0370 0.026 Uiso 1 1 calc R U . . .
C28 C 0.30159(12) 0.4936(2) 0.05327(11) 0.0176(5) Uani 1 1 d . . . . .
C29 C 0.23786(12) 0.4363(3) 0.03817(12) 0.0206(5) Uani 1 1 d . . . . .
H29 H 0.2020 0.4991 0.0379 0.025 Uiso 1 1 calc R U . . .
C30 C 0.22619(14) 0.2882(3) 0.02359(13) 0.0261(6) Uani 1 1 d . . . . .
H30 H 0.1825 0.2504 0.0134 0.031 Uiso 1 1 calc R U . . .
C31 C 0.27781(15) 0.1953(3) 0.02377(13) 0.0295(6) Uani 1 1 d . . . . .
H31 H 0.2696 0.0940 0.0137 0.035 Uiso 1 1 calc R U . . .
C32 C 0.34148(15) 0.2503(3) 0.03861(14) 0.0316(6) Uani 1 1 d . . . . .
H32 H 0.3771 0.1867 0.0388 0.038 Uiso 1 1 calc R U . . .
C33 C 0.35333(13) 0.3986(3) 0.05320(13) 0.0247(5) Uani 1 1 d . . . . .
H33 H 0.3972 0.4357 0.0633 0.030 Uiso 1 1 calc R U . . .
C34 C 0.37978(11) 0.7330(3) 0.16885(12) 0.0199(5) Uani 1 1 d . . . . .
C35 C 0.39201(12) 0.6209(3) 0.21960(13) 0.0236(5) Uani 1 1 d . . . . .
H35 H 0.3714 0.5282 0.2068 0.028 Uiso 1 1 calc R U . . .
C36 C 0.43410(13) 0.6433(3) 0.28894(14) 0.0311(6) Uani 1 1 d . . . . .
H36 H 0.4424 0.5658 0.3230 0.037 Uiso 1 1 calc R U . . .
C37 C 0.46387(13) 0.7787(3) 0.30826(14) 0.0346(7) Uani 1 1 d . . . . .
H37 H 0.4927 0.7940 0.3555 0.041 Uiso 1 1 calc R U . . .
C38 C 0.45164(13) 0.8917(3) 0.25872(14) 0.0328(6) Uani 1 1 d . . . . .
H38 H 0.4719 0.9846 0.2721 0.039 Uiso 1 1 calc R U . . .
C39 C 0.40971(13) 0.8695(3) 0.18928(14) 0.0268(5) Uani 1 1 d . . . . .
H39 H 0.4014 0.9475 0.1556 0.032 Uiso 1 1 calc R U . . .
C40 C 0.34501(13) 0.7861(3) -0.00594(13) 0.0239(5) Uani 1 1 d . . . . .
H40 H 0.3078 0.8153 -0.0447 0.029 Uiso 1 1 calc R U . . .
C41 C 0.40175(14) 0.8124(3) -0.01901(14) 0.0338(6) Uani 1 1 d . . . . .
H41 H 0.3993 0.8529 -0.0645 0.041 Uiso 1 1 calc R U . . .
C42 C 0.46799(16) 0.7847(4) 0.03035(16) 0.0449(8) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C1 1.943(2) . ?
Ge1 C13 1.945(2) . ?
Ge1 C7 1.950(2) . ?
Ge1 C19 1.965(2) . ?
F1 C21 1.335(3) . ?
F2 C21 1.352(3) . ?
F3 C21 1.346(3) . ?
C1 C2 1.395(3) . ?
C1 C6 1.399(3) . ?
C2 C3 1.390(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.385(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.385(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.384(3) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.394(3) . ?
C7 C8 1.396(3) . ?
C8 C9 1.390(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.383(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.386(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.392(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.391(3) . ?
C13 C14 1.396(3) . ?
C14 C15 1.387(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.385(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.385(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.390(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.325(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.476(3) . ?
C20 H20 0.9500 . ?
Ge2 C34 1.937(2) . ?
Ge2 C22 1.945(2) . ?
Ge2 C28 1.951(2) . ?
Ge2 C40 1.968(2) . ?
F4 C42 1.356(4) . ?
F5 C42 1.347(3) . ?
F6 C42 1.354(4) . ?
C22 C23 1.399(3) . ?
C22 C27 1.399(3) . ?
C23 C24 1.391(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.380(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.387(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.388(3) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C29 1.392(3) . ?
C28 C33 1.397(3) . ?
C29 C30 1.388(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.381(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.383(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.390(4) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C35 1.393(3) . ?
C34 C39 1.399(3) . ?
C35 C36 1.393(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.386(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.384(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.393(4) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 C41 1.323(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.462(4) . ?
C41 H41 0.9500 . ?

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
C1 Ge1 C13 112.78(9) . . ?
C1 Ge1 C7 107.60(9) . . ?
C13 Ge1 C7 109.21(9) . . ?
C1 Ge1 C19 109.55(9) . . ?
C13 Ge1 C19 113.28(10) . . ?
C7 Ge1 C19 103.91(9) . . ?
C2 C1 C6 118.1(2) . . ?
C2 C1 Ge1 122.21(17) . . ?
C6 C1 Ge1 119.57(16) . . ?
C3 C2 C1 120.9(2) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C4 C3 C2 120.0(2) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 119.8(2) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 120.2(2) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C1 121.0(2) . . ?
C5 C6 H6 119.5 . . ?
C1 C6 H6 119.5 . . ?
C12 C7 C8 118.1(2) . . ?
C12 C7 Ge1 120.89(17) . . ?
C8 C7 Ge1 120.96(17) . . ?
C9 C8 C7 120.8(2) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C10 C9 C8 120.3(2) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 119.7(2) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C10 C11 C12 119.9(2) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C7 121.2(2) . . ?
C11 C12 H12 119.4 . . ?
C7 C12 H12 119.4 . . ?
C18 C13 C14 118.6(2) . . ?
C18 C13 Ge1 120.18(17) . . ?
C14 C13 Ge1 121.14(17) . . ?
C15 C14 C13 120.6(2) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C16 C15 C14 120.2(2) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C17 C16 C15 119.7(2) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.1(2) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 120.7(2) . . ?
C17 C18 H18 119.6 . . ?
C13 C18 H18 119.6 . . ?
C20 C19 Ge1 133.07(19) . . ?
C20 C19 H19 113.5 . . ?
Ge1 C19 H19 113.5 . . ?
C19 C20 C21 125.8(2) . . ?
C19 C20 H20 117.1 . . ?
C21 C20 H20 117.1 . . ?
F1 C21 F3 106.9(2) . . ?
F1 C21 F2 106.64(19) . . ?
F3 C21 F2 105.05(19) . . ?
F1 C21 C20 114.0(2) . . ?
F3 C21 C20 112.6(2) . . ?
F2 C21 C20 111.1(2) . . ?
C34 Ge2 C22 108.57(10) . . ?
C34 Ge2 C28 111.65(10) . . ?
C22 Ge2 C28 111.25(10) . . ?
C34 Ge2 C40 115.68(10) . . ?
C22 Ge2 C40 102.09(10) . . ?
C28 Ge2 C40 107.23(9) . . ?
C23 C22 C27 118.1(2) . . ?
C23 C22 Ge2 121.28(17) . . ?
C27 C22 Ge2 120.57(17) . . ?
C24 C23 C22 120.7(2) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C25 C24 C23 120.2(2) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C24 C25 C26 120.1(2) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 C27 119.8(2) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C26 C27 C22 121.1(2) . . ?
C26 C27 H27 119.5 . . ?
C22 C27 H27 119.5 . . ?
C29 C28 C33 118.4(2) . . ?
C29 C28 Ge2 120.98(17) . . ?
C33 C28 Ge2 120.65(18) . . ?
C30 C29 C28 120.7(2) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C31 C30 C29 120.4(2) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C32 119.8(2) . . ?
C30 C31 H31 120.1 . . ?
C32 C31 H31 120.1 . . ?
C31 C32 C33 120.0(2) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 C28 120.8(2) . . ?
C32 C33 H33 119.6 . . ?
C28 C33 H33 119.6 . . ?
C35 C34 C39 118.7(2) . . ?
C35 C34 Ge2 120.02(18) . . ?
C39 C34 Ge2 121.24(18) . . ?
C36 C35 C34 120.8(2) . . ?
C36 C35 H35 119.6 . . ?
C34 C35 H35 119.6 . . ?
C37 C36 C35 119.9(3) . . ?
C37 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C38 C37 C36 120.0(2) . . ?
C38 C37 H37 120.0 . . ?
C36 C37 H37 120.0 . . ?
C37 C38 C39 120.1(3) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 H38 119.9 . . ?
C38 C39 C34 120.5(2) . . ?
C38 C39 H39 119.8 . . ?
C34 C39 H39 119.8 . . ?
C41 C40 Ge2 135.9(2) . . ?
C41 C40 H40 112.1 . . ?
Ge2 C40 H40 112.1 . . ?
C40 C41 C42 125.8(3) . . ?
C40 C41 H41 117.1 . . ?
C42 C41 H41 117.1 . . ?
F5 C42 F6 105.2(3) . . ?
F5 C42 F4 105.3(3) . . ?
F6 C42 F4 106.2(2) . . ?
F5 C42 C41 112.1(2) . . ?
F6 C42 C41 113.1(3) . . ?
F4 C42 C41 114.1(3) . . ?

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
C6 C1 C2 C3 -1.0(3) . . . . ?
Ge1 C1 C2 C3 175.13(17) . . . . ?
C1 C2 C3 C4 0.1(3) . . . . ?
C2 C3 C4 C5 1.2(4) . . . . ?
C3 C4 C5 C6 -1.6(4) . . . . ?
C4 C5 C6 C1 0.6(4) . . . . ?
C2 C1 C6 C5 0.7(3) . . . . ?
Ge1 C1 C6 C5 -175.60(18) . . . . ?
C12 C7 C8 C9 0.3(3) . . . . ?
Ge1 C7 C8 C9 -177.36(18) . . . . ?
C7 C8 C9 C10 -0.7(4) . . . . ?
C8 C9 C10 C11 0.7(4) . . . . ?
C9 C10 C11 C12 -0.4(4) . . . . ?
C10 C11 C12 C7 0.1(4) . . . . ?
C8 C7 C12 C11 -0.1(3) . . . . ?
Ge1 C7 C12 C11 177.64(17) . . . . ?
C18 C13 C14 C15 0.4(3) . . . . ?
Ge1 C13 C14 C15 -176.84(18) . . . . ?
C13 C14 C15 C16 -0.3(4) . . . . ?
C14 C15 C16 C17 -0.5(4) . . . . ?
C15 C16 C17 C18 1.1(4) . . . . ?
C16 C17 C18 C13 -0.9(3) . . . . ?
C14 C13 C18 C17 0.2(3) . . . . ?
Ge1 C13 C18 C17 177.46(17) . . . . ?
Ge1 C19 C20 C21 -2.2(4) . . . . ?
C19 C20 C21 F1 -23.1(3) . . . . ?
C19 C20 C21 F3 98.9(3) . . . . ?
C19 C20 C21 F2 -143.5(2) . . . . ?
C27 C22 C23 C24 0.3(3) . . . . ?
Ge2 C22 C23 C24 177.46(17) . . . . ?
C22 C23 C24 C25 -0.4(3) . . . . ?
C23 C24 C25 C26 0.3(4) . . . . ?
C24 C25 C26 C27 -0.1(4) . . . . ?
C25 C26 C27 C22 0.0(4) . . . . ?
C23 C22 C27 C26 -0.1(3) . . . . ?
Ge2 C22 C27 C26 -177.26(18) . . . . ?
C33 C28 C29 C30 0.1(3) . . . . ?
Ge2 C28 C29 C30 180.00(17) . . . . ?
C28 C29 C30 C31 -0.1(4) . . . . ?
C29 C30 C31 C32 0.0(4) . . . . ?
C30 C31 C32 C33 -0.1(4) . . . . ?
C31 C32 C33 C28 0.1(4) . . . . ?
C29 C28 C33 C32 -0.2(4) . . . . ?
Ge2 C28 C33 C32 179.96(19) . . . . ?
C39 C34 C35 C36 -1.1(4) . . . . ?
Ge2 C34 C35 C36 -177.68(19) . . . . ?
C34 C35 C36 C37 0.6(4) . . . . ?
C35 C36 C37 C38 0.2(4) . . . . ?
C36 C37 C38 C39 -0.3(4) . . . . ?
C37 C38 C39 C34 -0.2(4) . . . . ?
C35 C34 C39 C38 0.9(4) . . . . ?
Ge2 C34 C39 C38 177.45(19) . . . . ?
Ge2 C40 C41 C42 -2.0(5) . . . . ?
C40 C41 C42 F5 144.7(3) . . . . ?
C40 C41 C42 F6 -96.5(4) . . . . ?
C40 C41 C42 F4 25.1(5) . . . . ?

_refine_diff_density_max         0.838
_refine_diff_density_min         -0.495
_refine_diff_density_rms         0.066

_shelxl_version_number           2013-4

