#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/34/7103459.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_7103459
loop_
_publ_author_name
'Geramita, Katharine'
'McBee, Jennifer'
'Tao, Yuefei'
'Segalman, Rachel A'
'Tilley, T Don'
_publ_section_title
;
 Synthesis and characterization of
 2,7-bis(pentafluorophenylethynyl)hexafluoroheterofluorenes: new
 materials with high electron affinities.
;
_journal_issue                   41
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5107
_journal_page_last               5109
_journal_paper_doi               10.1039/b813440e
_journal_year                    2008
_chemical_formula_moiety         'C40 H10 F16 Ge'
_chemical_formula_sum            'C40 H10 F16 Ge'
_chemical_formula_weight         867.07
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.63(3)
_cell_angle_beta                 102.29(3)
_cell_angle_gamma                101.99(3)
_cell_formula_units_Z            2
_cell_length_a                   7.9222(16)
_cell_length_b                   15.049(3)
_cell_length_c                   15.823(3)
_cell_measurement_reflns_used    1247
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      19.89
_cell_measurement_theta_min      2.52
_cell_volume                     1626.1(8)
_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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      1183(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_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  0.1023
_diffrn_reflns_av_sigmaI/netI    0.1905
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9156
_diffrn_reflns_theta_full        20.81
_diffrn_reflns_theta_max         20.81
_diffrn_reflns_theta_min         2.53
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.066
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.910
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs, 2004'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.771
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             852
_exptl_crystal_size_max          .17
_exptl_crystal_size_mid          .07
_exptl_crystal_size_min          .05
_refine_diff_density_max         0.358
_refine_diff_density_min         -0.256
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.543
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         3384
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.543
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0344
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0545
_refine_ls_wR_factor_ref         0.0645
_reflns_number_gt                1788
_reflns_number_total             3384
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B813440E.txt
_cod_data_source_block           kath51s
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7103459
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge -0.73461(9) -0.23492(5) -0.47483(4) 0.0353(2) Uani 1 1 d . . .
F1 F -1.5853(4) -0.4887(2) -0.9267(2) 0.0541(10) Uani 1 1 d . . .
F2 F -1.8931(5) -0.5692(2) -1.0790(2) 0.0638(11) Uani 1 1 d . . .
F3 F -2.0270(5) -0.4491(2) -1.1464(2) 0.0670(11) Uani 1 1 d . . .
F4 F -1.8509(4) -0.2469(2) -1.0646(2) 0.0550(10) Uani 1 1 d . . .
F5 F -1.5470(4) -0.1665(2) -0.9125(2) 0.0486(9) Uani 1 1 d . . .
F6 F -1.0833(4) -0.3331(2) -0.66736(19) 0.0454(9) Uani 1 1 d . . .
F7 F -1.1011(4) -0.0321(2) -0.68927(19) 0.0461(9) Uani 1 1 d . . .
F8 F -0.8166(4) 0.0720(2) -0.5391(2) 0.0450(9) Uani 1 1 d . . .
F9 F -0.5546(4) 0.1478(2) -0.39467(19) 0.0448(9) Uani 1 1 d . . .
F10 F -0.2774(4) 0.2016(2) -0.24406(19) 0.0443(9) Uani 1 1 d . . .
F12 F 0.1273(4) -0.0419(2) -0.0689(2) 0.0573(10) Uani 1 1 d . . .
F13 F 0.4313(4) 0.0198(3) 0.0806(2) 0.0650(11) Uani 1 1 d . . .
F14 F 0.6045(5) 0.2192(3) 0.1905(2) 0.0757(11) Uani 1 1 d . . .
F15 F 0.4728(4) 0.3567(2) 0.1522(2) 0.0698(11) Uani 1 1 d . . .
F16 F 0.1686(4) 0.2956(2) 0.0035(2) 0.0558(10) Uani 1 1 d . . .
C1 C -0.6172(7) -0.3259(4) -0.5413(4) 0.0320(15) Uani 1 1 d . . .
C2 C -0.4829(9) -0.3489(4) -0.4907(4) 0.0569(19) Uani 1 1 d . . .
H2A H -0.4515 -0.3219 -0.4242 0.068 Uiso 1 1 calc R . .
C3 C -0.3938(9) -0.4112(5) -0.5368(5) 0.069(2) Uani 1 1 d . . .
H3A H -0.3043 -0.4260 -0.5008 0.083 Uiso 1 1 calc R . .
C4 C -0.4340(8) -0.4518(4) -0.6343(5) 0.0517(18) Uani 1 1 d . . .
H4A H -0.3710 -0.4923 -0.6646 0.062 Uiso 1 1 calc R . .
C5 C -0.5717(9) -0.4307(4) -0.6868(4) 0.0483(18) Uani 1 1 d . . .
H5A H -0.6051 -0.4593 -0.7534 0.058 Uiso 1 1 calc R . .
C6 C -0.6594(8) -0.3669(4) -0.6397(4) 0.0437(17) Uani 1 1 d . . .
H6A H -0.7485 -0.3515 -0.6753 0.052 Uiso 1 1 calc R . .
C7 C -0.8698(7) -0.2833(4) -0.4049(3) 0.0332(15) Uani 1 1 d . . .
C8 C -0.9567(8) -0.2227(4) -0.3500(4) 0.0429(17) Uani 1 1 d . . .
H8A H -0.9498 -0.1600 -0.3494 0.052 Uiso 1 1 calc R . .
C9 C -1.0523(8) -0.2545(5) -0.2968(4) 0.0472(17) Uani 1 1 d . . .
H9A H -1.1062 -0.2131 -0.2596 0.057 Uiso 1 1 calc R . .
C10 C -1.0657(8) -0.3486(5) -0.3002(4) 0.0445(17) Uani 1 1 d . . .
H10A H -1.1325 -0.3714 -0.2664 0.053 Uiso 1 1 calc R . .
C11 C -0.9829(9) -0.4087(5) -0.3522(4) 0.0481(18) Uani 1 1 d . . .
H11A H -0.9915 -0.4715 -0.3527 0.058 Uiso 1 1 calc R . .
C12 C -0.8861(7) -0.3764(4) -0.4042(4) 0.0379(15) Uani 1 1 d . . .
H12A H -0.8305 -0.4183 -0.4396 0.046 Uiso 1 1 calc R . .
C13 C -1.6501(9) -0.4259(5) -0.9595(4) 0.0418(17) Uani 1 1 d . . .
C14 C -1.8037(9) -0.4695(5) -1.0371(4) 0.0419(17) Uani 1 1 d . . .
C15 C -1.8739(8) -0.4087(5) -1.0712(4) 0.0411(17) Uani 1 1 d . . .
C16 C -1.7862(9) -0.3079(5) -1.0308(4) 0.0390(16) Uani 1 1 d . . .
C17 C -1.6316(8) -0.2655(4) -0.9534(4) 0.0321(15) Uani 1 1 d . . .
C18 C -1.5545(8) -0.3241(5) -0.9147(4) 0.0351(16) Uani 1 1 d . . .
C19 C -1.3946(9) -0.2804(4) -0.8350(4) 0.0410(17) Uani 1 1 d . . .
C20 C -1.2609(8) -0.2392(4) -0.7664(4) 0.0359(16) Uani 1 1 d . . .
C21 C -1.1031(7) -0.1862(4) -0.6836(4) 0.0328(15) Uani 1 1 d . . .
C22 C -1.0136(8) -0.2316(4) -0.6328(4) 0.0347(15) Uani 1 1 d . . .
C23 C -0.8639(8) -0.1793(4) -0.5516(4) 0.0312(15) Uani 1 1 d . . .
C24 C -0.7894(7) -0.0740(4) -0.5149(4) 0.0309(14) Uani 1 1 d . . .
C25 C -0.8757(8) -0.0275(4) -0.5651(4) 0.0307(15) Uani 1 1 d . . .
C26 C -1.0253(8) -0.0837(5) -0.6462(4) 0.0323(15) Uani 1 1 d . . .
C27 C -0.6267(7) -0.0279(4) -0.4266(4) 0.0266(14) Uani 1 1 d . . .
C28 C -0.5744(7) -0.0988(4) -0.3947(4) 0.0305(15) Uani 1 1 d . . .
C29 C -0.4276(8) -0.0643(4) -0.3152(4) 0.0321(15) Uani 1 1 d . . .
C30 C -0.3196(8) 0.0353(4) -0.2602(4) 0.0325(15) Uani 1 1 d . . .
C31 C -0.3755(8) 0.1030(4) -0.2918(4) 0.0321(15) Uani 1 1 d . . .
C32 C -0.5214(8) 0.0727(4) -0.3728(4) 0.0318(15) Uani 1 1 d . . .
C33 C -0.1608(8) 0.0675(4) -0.1793(4) 0.0368(16) Uani 1 1 d . . .
C34 C -0.0256(8) 0.0934(4) -0.1149(4) 0.0344(16) Uani 1 1 d . . .
C35 C 0.1378(7) 0.1256(4) -0.0368(4) 0.0296(15) Uani 1 1 d . . .
C36 C 0.2108(8) 0.0575(4) -0.0144(4) 0.0374(16) Uani 1 1 d . . .
C37 C 0.3642(9) 0.0881(5) 0.0617(5) 0.0420(17) Uani 1 1 d . . .
C38 C 0.4518(8) 0.1873(6) 0.1164(4) 0.0450(17) Uani 1 1 d . . .
C39 C 0.3848(8) 0.2586(5) 0.0987(4) 0.0431(17) Uani 1 1 d . . .
C40 C 0.2300(8) 0.2253(4) 0.0213(4) 0.0350(16) Uani 1 1 d . . .
F11 F -0.3788(4) -0.1321(2) -0.28575(19) 0.0439(9) 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'
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
C7 Ge1 C1 114.0(2) . . ?
C7 Ge1 C28 110.6(2) . . ?
C1 Ge1 C28 114.1(2) . . ?
C7 Ge1 C23 114.1(2) . . ?
C1 Ge1 C23 114.4(2) . . ?
C28 Ge1 C23 86.7(2) . . ?
C2 C1 C6 117.8(5) . . ?
C2 C1 Ge1 120.4(4) . . ?
C6 C1 Ge1 121.8(4) . . ?
C1 C2 C3 121.1(5) . . ?
C1 C2 H2A 119.5 . . ?
C3 C2 H2A 119.5 . . ?
C4 C3 C2 121.5(6) . . ?
C4 C3 H3A 119.2 . . ?
C2 C3 H3A 119.2 . . ?
C3 C4 C5 118.2(6) . . ?
C3 C4 H4A 120.9 . . ?
C5 C4 H4A 120.9 . . ?
C4 C5 C6 119.9(5) . . ?
C4 C5 H5A 120.1 . . ?
C6 C5 H5A 120.1 . . ?
C1 C6 C5 121.4(5) . . ?
C1 C6 H6A 119.3 . . ?
C5 C6 H6A 119.3 . . ?
C12 C7 C8 116.9(5) . . ?
C12 C7 Ge1 123.0(5) . . ?
C8 C7 Ge1 120.1(4) . . ?
C9 C8 C7 121.5(5) . . ?
C9 C8 H8A 119.2 . . ?
C7 C8 H8A 119.2 . . ?
C10 C9 C8 118.7(6) . . ?
C10 C9 H9A 120.6 . . ?
C8 C9 H9A 120.6 . . ?
C11 C10 C9 121.2(6) . . ?
C11 C10 H10A 119.4 . . ?
C9 C10 H10A 119.4 . . ?
C10 C11 C12 120.0(6) . . ?
C10 C11 H11A 120.0 . . ?
C12 C11 H11A 120.0 . . ?
C11 C12 C7 121.7(5) . . ?
C11 C12 H12A 119.2 . . ?
C7 C12 H12A 119.2 . . ?
C14 C13 F1 116.9(6) . . ?
C14 C13 C18 124.2(6) . . ?
F1 C13 C18 118.8(5) . . ?
F2 C14 C13 122.5(6) . . ?
F2 C14 C15 118.9(6) . . ?
C13 C14 C15 118.6(6) . . ?
F3 C15 C16 119.8(6) . . ?
F3 C15 C14 120.0(6) . . ?
C16 C15 C14 120.2(6) . . ?
F4 C16 C15 121.2(6) . . ?
F4 C16 C17 118.4(6) . . ?
C15 C16 C17 120.4(5) . . ?
F5 C17 C16 120.6(5) . . ?
F5 C17 C18 117.6(5) . . ?
C16 C17 C18 121.8(5) . . ?
C13 C18 C19 123.6(6) . . ?
C13 C18 C17 114.7(5) . . ?
C19 C18 C17 121.7(6) . . ?
C20 C19 C18 177.0(6) . . ?
C19 C20 C21 177.5(6) . . ?
C26 C21 C22 113.9(5) . . ?
C26 C21 C20 121.6(5) . . ?
C22 C21 C20 124.5(5) . . ?
F6 C22 C23 119.5(5) . . ?
F6 C22 C21 116.5(5) . . ?
C23 C22 C21 124.0(5) . . ?
C22 C23 C24 120.3(5) . . ?
C22 C23 Ge1 127.0(4) . . ?
C24 C23 Ge1 112.7(4) . . ?
C25 C24 C23 116.6(5) . . ?
C25 C24 C27 129.3(5) . . ?
C23 C24 C27 114.1(5) . . ?
F8 C25 C26 116.6(5) . . ?
F8 C25 C24 122.7(5) . . ?
C26 C25 C24 120.7(5) . . ?
F7 C26 C21 118.9(5) . . ?
F7 C26 C25 116.5(5) . . ?
C21 C26 C25 124.5(5) . . ?
C32 C27 C28 116.8(5) . . ?
C32 C27 C24 128.9(5) . . ?
C28 C27 C24 114.3(5) . . ?
C29 C28 C27 118.8(5) . . ?
C29 C28 Ge1 129.0(4) . . ?
C27 C28 Ge1 112.2(4) . . ?
F11 C29 C28 118.3(5) . . ?
F11 C29 C30 115.8(5) . . ?
C28 C29 C30 125.9(5) . . ?
C29 C30 C31 114.1(5) . . ?
C29 C30 C33 123.8(5) . . ?
C31 C30 C33 122.0(5) . . ?
F10 C31 C32 118.4(5) . . ?
F10 C31 C30 118.7(5) . . ?
C32 C31 C30 122.8(5) . . ?
F9 C32 C31 115.2(5) . . ?
F9 C32 C27 123.2(5) . . ?
C31 C32 C27 121.6(5) . . ?
C34 C33 C30 177.4(6) . . ?
C33 C34 C35 179.5(6) . . ?
C40 C35 C36 115.9(5) . . ?
C40 C35 C34 121.9(5) . . ?
C36 C35 C34 122.1(5) . . ?
F12 C36 C37 118.8(6) . . ?
F12 C36 C35 119.0(5) . . ?
C37 C36 C35 122.2(5) . . ?
F13 C37 C38 119.7(6) . . ?
F13 C37 C36 120.4(6) . . ?
C38 C37 C36 119.8(6) . . ?
F14 C38 C37 120.9(6) . . ?
F14 C38 C39 118.4(6) . . ?
C37 C38 C39 120.7(6) . . ?
F15 C39 C38 120.6(6) . . ?
F15 C39 C40 121.3(6) . . ?
C38 C39 C40 118.0(5) . . ?
F16 C40 C35 119.3(5) . . ?
F16 C40 C39 117.4(5) . . ?
C35 C40 C39 123.2(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 C7 1.917(5) . ?
Ge1 C1 1.931(5) . ?
Ge1 C28 1.933(5) . ?
Ge1 C23 1.949(5) . ?
F1 C13 1.370(5) . ?
F2 C14 1.348(6) . ?
F3 C15 1.342(6) . ?
F4 C16 1.353(5) . ?
F5 C17 1.333(6) . ?
F6 C22 1.358(6) . ?
F7 C26 1.356(5) . ?
F8 C25 1.343(5) . ?
F9 C32 1.356(5) . ?
F10 C31 1.350(5) . ?
F12 C36 1.347(5) . ?
F13 C37 1.348(6) . ?
F14 C38 1.345(6) . ?
F15 C39 1.335(6) . ?
F16 C40 1.345(5) . ?
C1 C2 1.373(6) . ?
C1 C6 1.379(6) . ?
C2 C3 1.378(7) . ?
C2 H2A 0.9300 . ?
C3 C4 1.368(7) . ?
C3 H3A 0.9300 . ?
C4 C5 1.390(7) . ?
C4 H4A 0.9300 . ?
C5 C6 1.390(7) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 C12 1.385(6) . ?
C7 C8 1.411(7) . ?
C8 C9 1.389(7) . ?
C8 H8A 0.9300 . ?
C9 C10 1.377(6) . ?
C9 H9A 0.9300 . ?
C10 C11 1.361(7) . ?
C10 H10A 0.9300 . ?
C11 C12 1.381(7) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 C14 1.363(7) . ?
C13 C18 1.383(7) . ?
C14 C15 1.373(7) . ?
C15 C16 1.361(7) . ?
C16 C17 1.366(7) . ?
C17 C18 1.411(7) . ?
C18 C19 1.410(7) . ?
C19 C20 1.195(7) . ?
C20 C21 1.426(7) . ?
C21 C26 1.373(7) . ?
C21 C22 1.406(6) . ?
C22 C23 1.376(7) . ?
C23 C24 1.408(7) . ?
C24 C25 1.402(6) . ?
C24 C27 1.498(7) . ?
C25 C26 1.379(7) . ?
C27 C32 1.392(7) . ?
C27 C28 1.433(6) . ?
C28 C29 1.360(6) . ?
C29 F11 1.358(5) . ?
C29 C30 1.388(7) . ?
C30 C31 1.397(6) . ?
C30 C33 1.435(7) . ?
C31 C32 1.381(7) . ?
C33 C34 1.187(7) . ?
C34 C35 1.434(7) . ?
C35 C40 1.368(7) . ?
C35 C36 1.392(7) . ?
C36 C37 1.368(7) . ?
C37 C38 1.349(7) . ?
C38 C39 1.381(7) . ?
C39 C40 1.382(7) . ?
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
C7 Ge1 C1 C2 -64.0(5) . . . . ?
C28 Ge1 C1 C2 64.6(5) . . . . ?
C23 Ge1 C1 C2 162.2(5) . . . . ?
C7 Ge1 C1 C6 118.5(4) . . . . ?
C28 Ge1 C1 C6 -113.0(5) . . . . ?
C23 Ge1 C1 C6 -15.4(5) . . . . ?
C6 C1 C2 C3 -0.3(9) . . . . ?
Ge1 C1 C2 C3 -177.9(5) . . . . ?
C1 C2 C3 C4 0.7(10) . . . . ?
C2 C3 C4 C5 -1.7(10) . . . . ?
C3 C4 C5 C6 2.4(9) . . . . ?
C2 C1 C6 C5 1.1(8) . . . . ?
Ge1 C1 C6 C5 178.7(4) . . . . ?
C4 C5 C6 C1 -2.1(9) . . . . ?
C1 Ge1 C7 C12 -1.7(5) . . . . ?
C28 Ge1 C7 C12 -132.0(4) . . . . ?
C23 Ge1 C7 C12 132.3(4) . . . . ?
C1 Ge1 C7 C8 177.6(4) . . . . ?
C28 Ge1 C7 C8 47.3(5) . . . . ?
C23 Ge1 C7 C8 -48.5(5) . . . . ?
C12 C7 C8 C9 0.7(8) . . . . ?
Ge1 C7 C8 C9 -178.6(4) . . . . ?
C7 C8 C9 C10 -1.7(8) . . . . ?
C8 C9 C10 C11 1.9(8) . . . . ?
C9 C10 C11 C12 -1.2(9) . . . . ?
C10 C11 C12 C7 0.2(8) . . . . ?
C8 C7 C12 C11 0.0(8) . . . . ?
Ge1 C7 C12 C11 179.3(4) . . . . ?
F1 C13 C14 F2 2.0(9) . . . . ?
C18 C13 C14 F2 179.9(5) . . . . ?
F1 C13 C14 C15 179.2(5) . . . . ?
C18 C13 C14 C15 -2.9(10) . . . . ?
F2 C14 C15 F3 -1.4(8) . . . . ?
C13 C14 C15 F3 -178.7(5) . . . . ?
F2 C14 C15 C16 -179.6(5) . . . . ?
C13 C14 C15 C16 3.1(9) . . . . ?
F3 C15 C16 F4 0.4(9) . . . . ?
C14 C15 C16 F4 178.6(5) . . . . ?
F3 C15 C16 C17 179.1(5) . . . . ?
C14 C15 C16 C17 -2.7(9) . . . . ?
F4 C16 C17 F5 0.0(8) . . . . ?
C15 C16 C17 F5 -178.8(5) . . . . ?
F4 C16 C17 C18 -179.3(5) . . . . ?
C15 C16 C17 C18 2.0(9) . . . . ?
C14 C13 C18 C19 -179.3(6) . . . . ?
F1 C13 C18 C19 -1.4(9) . . . . ?
C14 C13 C18 C17 2.1(9) . . . . ?
F1 C13 C18 C17 180.0(4) . . . . ?
F5 C17 C18 C13 179.1(5) . . . . ?
C16 C17 C18 C13 -1.6(8) . . . . ?
F5 C17 C18 C19 0.5(8) . . . . ?
C16 C17 C18 C19 179.8(6) . . . . ?
C13 C18 C19 C20 -155(13) . . . . ?
C17 C18 C19 C20 23(13) . . . . ?
C18 C19 C20 C21 -2(25) . . . . ?
C19 C20 C21 C26 -24(15) . . . . ?
C19 C20 C21 C22 156(15) . . . . ?
C26 C21 C22 F6 -179.1(5) . . . . ?
C20 C21 C22 F6 1.1(8) . . . . ?
C26 C21 C22 C23 1.4(8) . . . . ?
C20 C21 C22 C23 -178.4(5) . . . . ?
F6 C22 C23 C24 179.8(5) . . . . ?
C21 C22 C23 C24 -0.7(9) . . . . ?
F6 C22 C23 Ge1 -1.1(8) . . . . ?
C21 C22 C23 Ge1 178.4(4) . . . . ?
C7 Ge1 C23 C22 -69.4(5) . . . . ?
C1 Ge1 C23 C22 64.5(6) . . . . ?
C28 Ge1 C23 C22 179.5(5) . . . . ?
C7 Ge1 C23 C24 109.8(4) . . . . ?
C1 Ge1 C23 C24 -116.3(4) . . . . ?
C28 Ge1 C23 C24 -1.3(4) . . . . ?
C22 C23 C24 C25 0.1(8) . . . . ?
Ge1 C23 C24 C25 -179.2(4) . . . . ?
C22 C23 C24 C27 -179.8(5) . . . . ?
Ge1 C23 C24 C27 0.9(6) . . . . ?
C23 C24 C25 F8 -178.6(5) . . . . ?
C27 C24 C25 F8 1.3(8) . . . . ?
C23 C24 C25 C26 -0.2(8) . . . . ?
C27 C24 C25 C26 179.7(5) . . . . ?
C22 C21 C26 F7 -179.7(4) . . . . ?
C20 C21 C26 F7 0.2(8) . . . . ?
C22 C21 C26 C25 -1.5(9) . . . . ?
C20 C21 C26 C25 178.3(5) . . . . ?
F8 C25 C26 F7 -2.3(7) . . . . ?
C24 C25 C26 F7 179.2(4) . . . . ?
F8 C25 C26 C21 179.5(5) . . . . ?
C24 C25 C26 C21 1.0(9) . . . . ?
C25 C24 C27 C32 -0.1(9) . . . . ?
C23 C24 C27 C32 179.8(5) . . . . ?
C25 C24 C27 C28 -179.7(5) . . . . ?
C23 C24 C27 C28 0.2(7) . . . . ?
C32 C27 C28 C29 0.1(7) . . . . ?
C24 C27 C28 C29 179.7(5) . . . . ?
C32 C27 C28 Ge1 179.1(4) . . . . ?
C24 C27 C28 Ge1 -1.2(5) . . . . ?
C7 Ge1 C28 C29 65.8(5) . . . . ?
C1 Ge1 C28 C29 -64.5(5) . . . . ?
C23 Ge1 C28 C29 -179.7(5) . . . . ?
C7 Ge1 C28 C27 -113.2(4) . . . . ?
C1 Ge1 C28 C27 116.6(4) . . . . ?
C23 Ge1 C28 C27 1.4(4) . . . . ?
C27 C28 C29 F11 -179.8(4) . . . . ?
Ge1 C28 C29 F11 1.3(8) . . . . ?
C27 C28 C29 C30 -0.3(9) . . . . ?
Ge1 C28 C29 C30 -179.1(4) . . . . ?
F11 C29 C30 C31 -179.1(4) . . . . ?
C28 C29 C30 C31 1.3(9) . . . . ?
F11 C29 C30 C33 2.6(8) . . . . ?
C28 C29 C30 C33 -177.0(5) . . . . ?
C29 C30 C31 F10 -178.9(5) . . . . ?
C33 C30 C31 F10 -0.5(8) . . . . ?
C29 C30 C31 C32 -2.3(8) . . . . ?
C33 C30 C31 C32 176.1(5) . . . . ?
F10 C31 C32 F9 -1.9(7) . . . . ?
C30 C31 C32 F9 -178.5(4) . . . . ?
F10 C31 C32 C27 178.9(5) . . . . ?
C30 C31 C32 C27 2.3(9) . . . . ?
C28 C27 C32 F9 179.8(4) . . . . ?
C24 C27 C32 F9 0.2(9) . . . . ?
C28 C27 C32 C31 -1.1(8) . . . . ?
C24 C27 C32 C31 179.3(5) . . . . ?
C29 C30 C33 C34 88(13) . . . . ?
C31 C30 C33 C34 -91(13) . . . . ?
C30 C33 C34 C35 109(82) . . . . ?
C33 C34 C35 C40 -8(87) . . . . ?
C33 C34 C35 C36 170(100) . . . . ?
C40 C35 C36 F12 -179.7(5) . . . . ?
C34 C35 C36 F12 1.3(8) . . . . ?
C40 C35 C36 C37 0.7(8) . . . . ?
C34 C35 C36 C37 -178.3(5) . . . . ?
F12 C36 C37 F13 0.8(8) . . . . ?
C35 C36 C37 F13 -179.6(5) . . . . ?
F12 C36 C37 C38 179.0(5) . . . . ?
C35 C36 C37 C38 -1.4(9) . . . . ?
F13 C37 C38 F14 -0.7(9) . . . . ?
C36 C37 C38 F14 -178.8(5) . . . . ?
F13 C37 C38 C39 -179.6(5) . . . . ?
C36 C37 C38 C39 2.3(10) . . . . ?
F14 C38 C39 F15 1.9(9) . . . . ?
C37 C38 C39 F15 -179.2(6) . . . . ?
F14 C38 C39 C40 178.7(5) . . . . ?
C37 C38 C39 C40 -2.4(9) . . . . ?
C36 C35 C40 F16 179.3(4) . . . . ?
C34 C35 C40 F16 -1.6(8) . . . . ?
C36 C35 C40 C39 -0.9(9) . . . . ?
C34 C35 C40 C39 178.2(5) . . . . ?
F15 C39 C40 F16 -1.7(8) . . . . ?
C38 C39 C40 F16 -178.5(5) . . . . ?
F15 C39 C40 C35 178.5(5) . . . . ?
C38 C39 C40 C35 1.7(9) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30653066
