#------------------------------------------------------------------------------
#$Date: 2016-04-28 04:45:49 +0300 (Thu, 28 Apr 2016) $
#$Revision: 182302 $
#$URL: svn://www.crystallography.net/cod/cif/2/24/16/2241665.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_2241665
loop_
_publ_author_name
'Golichenko, Alexander A.'
'Kravchenko, Andrey V.'
'Omelchenko, Irina V.'
'Chudak, Denis M.'
'Starodub, Vladimir A.'
'Barszcz, Boleslaw'
'Shtemenko, Alexander V.'
_publ_section_title
;
 Crystal structure of bis(ethylenedithio)tetrathiafulvalenium
 μ₂-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane
 hemisolvate
;
_journal_coeditor_code           RZ5188
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              712
_journal_page_last               715
_journal_paper_doi               10.1107/S2056989016006058
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac
'(C10 H8 S8) [Re2 Br6 (C2 H3 O2)], 0.5C2 H3 Cl3'
_chemical_formula_moiety
'C10 H8 S8 +, C2 H3 Br6 O2 Re2 -, C H1.5 Cl1.5'
_chemical_formula_sum            'C13 H12.5 Br6 Cl1.5 O2 Re2 S8'
_chemical_formula_weight         1362.24
_chemical_name_systematic
;
Bis(ethylenedithio)tetrathiafulvalenium
μ₂-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 100.8440(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.1825(5)
_cell_length_b                   8.53737(13)
_cell_length_c                   26.0667(5)
_cell_measurement_reflns_used    18811
_cell_measurement_temperature    298
_cell_measurement_theta_max      30.6800
_cell_measurement_theta_min      2.9210
_cell_volume                     5941.20(19)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      298
_diffrn_detector_area_resol_mean 16.1827
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Agilent Xcalibur Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            36051
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    16.925
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.06678
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2014)
;
_exptl_crystal_colour            'metallic dark violet'
_exptl_crystal_density_diffrn    3.046
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4960
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.767
_refine_diff_density_min         -1.903
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         6755
_refine_ls_number_restraints     99
_refine_ls_restrained_S_all      1.999
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0521
_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)+(0.0534P)²+229.8497P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1357
_refine_ls_wR_factor_ref         0.1373
_reflns_number_gt                6304
_reflns_number_total             6755
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            rz5188sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        5941.21(18)
_cod_original_formula_sum        'C13 H12.50 Br6 Cl1.50 O2 Re2 S8'
_cod_database_code               2241665
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y, -z'
3 'x+1/2, y+1/2, z+1/2'
4 '-x+1, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x-1/2, -y, z'
7 '-x+1/2, -y+1/2, -z+1/2'
8 'x, -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
S S1 0.0279(2) -0.3844(7) 0.1248(2) 0.0486(13) Uani d 1 . .
S S2 -0.0188(2) -0.1562(6) 0.0484(2) 0.0411(11) Uani d 1 . .
S S3 -0.0801(3) -0.0100(7) 0.1157(3) 0.0532(14) Uani d 1 . .
S S4 -0.0284(3) -0.2886(8) 0.2057(2) 0.0602(17) Uani d 1 . .
S S5 0.0889(2) -0.5248(8) 0.0393(2) 0.0484(13) Uani d 1 . .
S S6 0.0408(2) -0.2918(6) -0.0354(2) 0.0436(12) Uani d 1 . .
S S7 0.0915(3) -0.3875(7) -0.1204(2) 0.0586(17) Uani d 1 . .
S S8 0.1502(3) -0.6653(9) -0.0297(2) 0.0590(16) Uani d 1 . .
C C1 0.0209(7) -0.313(2) 0.0627(7) 0.034(4) Uani d 1 . .
C C2 -0.0374(7) -0.152(2) 0.1079(8) 0.037(4) Uani d 1 A .
C C3 -0.0160(8) -0.262(3) 0.1431(8) 0.043(5) Uani d 1 A .
C C4 -0.065(3) -0.122(6) 0.220(3) 0.064(11) Uani d 0.35 A 2
H H4A -0.1001 -0.1537 0.2165 0.077 Uiso calc 0.35 A 2
H H4B -0.0538 -0.0909 0.2563 0.077 Uiso calc 0.35 A 2
C C4A -0.0391(15) -0.084(3) 0.2196(15) 0.056(8) Uani d 0.65 A 1
H H4AA -0.0440 -0.0750 0.2554 0.067 Uiso calc 0.65 A 1
H H4AB -0.0094 -0.0242 0.2166 0.067 Uiso calc 0.65 A 1
C C5A -0.0822(16) -0.015(5) 0.1850(9) 0.060(9) Uani d 0.65 A 1
H H5AA -0.0864 0.0909 0.1965 0.072 Uiso calc 0.65 A 1
H H5AB -0.1118 -0.0737 0.1893 0.072 Uiso calc 0.65 A 1
C C5B -0.062(3) 0.011(9) 0.1862(9) 0.061(12) Uani d 0.35 A 2
H H5BA -0.0272 0.0463 0.1933 0.073 Uiso calc 0.35 A 2
H H5BB -0.0817 0.0950 0.1967 0.073 Uiso calc 0.35 A 2
C C6 0.0472(7) -0.372(2) 0.0258(7) 0.035(4) Uani d 1 . .
C C7 0.1061(8) -0.523(2) -0.0214(8) 0.039(4) Uani d 1 B .
C C8 0.0834(9) -0.415(2) -0.0558(8) 0.044(5) Uani d 1 B .
C C9A 0.1534(9) -0.479(4) -0.1154(13) 0.057(8) Uani d 0.77 B 1
H H9AA 0.1634 -0.4736 -0.1492 0.068 Uiso calc 0.77 B 1
H H9AB 0.1777 -0.4205 -0.0908 0.068 Uiso calc 0.77 B 1
C C9B 0.134(4) -0.548(10) -0.130(4) 0.05(2) Uani d 0.23 B 2
H H9BA 0.1153 -0.6449 -0.1362 0.060 Uiso calc 0.23 B 2
H H9BB 0.1493 -0.5262 -0.1596 0.060 Uiso calc 0.23 B 2
C C10A 0.1547(13) -0.643(4) -0.0988(9) 0.051(7) Uani d 0.77 B 1
H H10A 0.1857 -0.6902 -0.1045 0.061 Uiso calc 0.77 B 1
H H10B 0.1272 -0.6987 -0.1202 0.061 Uiso calc 0.77 B 1
C C10B 0.173(4) -0.566(13) -0.083(3) 0.05(2) Uani d 0.23 B 2
H H10C 0.1860 -0.4639 -0.0715 0.059 Uiso calc 0.23 B 2
H H10D 0.2006 -0.6266 -0.0923 0.059 Uiso calc 0.23 B 2
Re Re1 0.12639(3) 0.02771(9) 0.15999(3) 0.0325(2) Uani d 1 . .
Re Re2 0.18894(3) 0.19389(8) 0.18533(3) 0.0285(2) Uani d 1 . .
Br Br1 0.05027(9) 0.1855(3) 0.15459(12) 0.0621(7) Uani d 1 . .
Br Br2 0.10600(9) -0.1027(3) 0.23712(10) 0.0541(6) Uani d 1 . .
Br Br3 0.11180(11) 0.0172(4) 0.06499(10) 0.0623(7) Uani d 1 . .
Br Br4 0.20677(9) 0.2898(3) 0.10198(9) 0.0529(6) Uani d 1 . .
Br Br5 0.15056(10) 0.4496(3) 0.19753(11) 0.0560(6) Uani d 1 . .
Br Br6 0.20369(9) 0.1635(3) 0.28134(8) 0.0476(5) Uani d 1 . .
O O1 0.2381(6) 0.0139(18) 0.1841(6) 0.047(3) Uani d 1 . .
O O2 0.1742(6) -0.1510(17) 0.1587(6) 0.046(3) Uani d 1 . .
C C11 0.2221(8) -0.129(2) 0.1733(7) 0.039(4) Uani d 1 . .
C C12 0.2582(11) -0.260(3) 0.1768(12) 0.066(7) Uani d 1 . .
H H12A 0.2756 -0.2551 0.1480 0.100 Uiso calc 1 . .
H H12B 0.2404 -0.3578 0.1756 0.100 Uiso calc 1 . .
H H12C 0.2819 -0.2533 0.2090 0.100 Uiso calc 1 . .
Cl Cl1S -0.1993(6) 0.0569(19) 0.0673(6) 0.150(6) Uani d 1 C .
Cl Cl2S -0.2811(11) 0.288(3) 0.0317(11) 0.140(10) Uani d 0.50 C 1
C C1S -0.2592(9) 0.090(4) 0.0257(5) 0.15(2) Uani d 1 . .
H H1S -0.2848 0.0099 0.0239 0.180 Uiso d 1 C .
H H1SA -0.2718 0.1918 0.0336 0.180 Uiso d 0.50 D 2
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'
Br Br -0.2901 2.4595 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
C1 S1 C3 . 94.9(10)
C1 S2 C2 . 95.6(9)
C2 S3 C5A . 104.3(14)
C2 S3 C5B . 97(3)
C5A S3 C5B . 19(3)
C3 S4 C4 . 108(2)
C3 S4 C4A . 97.4(15)
C4A S4 C4 . 25(3)
C6 S5 C7 . 94.9(9)
C6 S6 C8 . 94.9(10)
C8 S7 C9A . 98.9(13)
C8 S7 C9B . 103(3)
C9A S7 C9B . 26(4)
C7 S8 C10A . 102.8(12)
C7 S8 C10B . 96(4)
C10B S8 C10A . 28(4)
S1 C1 S2 . 116.1(11)
C6 C1 S1 . 122.7(15)
C6 C1 S2 . 121.1(15)
S3 C2 S2 . 116.0(12)
C3 C2 S2 . 115.7(15)
C3 C2 S3 . 128.3(16)
S1 C3 S4 . 116.6(12)
C2 C3 S1 . 117.5(15)
C2 C3 S4 . 125.9(17)
S4 C4 H4A . 109.2
S4 C4 H4B . 109.2
H4A C4 H4B . 107.9
C5B C4 S4 . 112(5)
C5B C4 H4A . 109.2
C5B C4 H4B . 109.2
S4 C4A H4AA . 108.8
S4 C4A H4AB . 108.8
H4AA C4A H4AB . 107.7
C5A C4A S4 . 114(3)
C5A C4A H4AA . 108.8
C5A C4A H4AB . 108.8
S3 C5A H5AA . 108.1
S3 C5A H5AB . 108.1
C4A C5A S3 . 117(2)
C4A C5A H5AA . 108.1
C4A C5A H5AB . 108.1
H5AA C5A H5AB . 107.3
S3 C5B H5BA . 107.3
S3 C5B H5BB . 107.3
C4 C5B S3 . 120(5)
C4 C5B H5BA . 107.3
C4 C5B H5BB . 107.3
H5BA C5B H5BB . 106.9
S6 C6 S5 . 116.3(11)
C1 C6 S5 . 122.5(15)
C1 C6 S6 . 121.2(15)
S5 C7 S8 . 114.5(12)
C8 C7 S5 . 116.4(16)
C8 C7 S8 . 129.0(16)
S6 C8 S7 . 115.3(13)
C7 C8 S6 . 117.5(16)
C7 C8 S7 . 127.2(18)
S7 C9A H9AA . 108.9
S7 C9A H9AB . 108.9
H9AA C9A H9AB . 107.7
C10A C9A S7 . 114(2)
C10A C9A H9AA . 108.9
C10A C9A H9AB . 108.9
S7 C9B H9BA . 109.6
S7 C9B H9BB . 109.6
H9BA C9B H9BB . 108.1
C10B C9B S7 . 110(7)
C10B C9B H9BA . 109.6
C10B C9B H9BB . 109.6
S8 C10A H10A . 109.0
S8 C10A H10B . 109.0
C9A C10A S8 . 113(2)
C9A C10A H10A . 109.0
C9A C10A H10B . 109.0
H10A C10A H10B . 107.8
S8 C10B H10C . 109.1
S8 C10B H10D . 109.1
C9B C10B S8 . 112(7)
C9B C10B H10C . 109.1
C9B C10B H10D . 109.1
H10C C10B H10D . 107.9
Re2 Re1 Br1 . 104.91(8)
Re2 Re1 Br2 . 108.99(7)
Re2 Re1 Br3 . 107.19(7)
Br1 Re1 Br2 . 88.73(10)
Br3 Re1 Br1 . 89.29(11)
Br3 Re1 Br2 . 143.01(9)
O2 Re1 Re2 . 91.6(4)
O2 Re1 Br1 . 163.4(4)
O2 Re1 Br2 . 85.2(5)
O2 Re1 Br3 . 86.4(4)
Re1 Re2 Br4 . 102.59(6)
Re1 Re2 Br5 . 106.59(7)
Re1 Re2 Br6 . 101.74(6)
Br4 Re2 Br5 . 88.72(9)
Br4 Re2 Br6 . 155.47(8)
Br5 Re2 Br6 . 87.39(9)
O1 Re2 Re1 . 88.9(4)
O1 Re2 Br4 . 89.9(5)
O1 Re2 Br5 . 164.3(4)
O1 Re2 Br6 . 87.4(5)
C11 O1 Re2 . 120.9(14)
C11 O2 Re1 . 119.9(13)
O1 C11 C12 . 120(2)
O2 C11 O1 . 118.4(18)
O2 C11 C12 . 121(2)
C11 C12 H12A . 109.5
C11 C12 H12B . 109.5
C11 C12 H12C . 109.5
H12A C12 H12B . 109.5
H12A C12 H12C . 109.5
H12B C12 H12C . 109.5
C1S Cl2S H1SA . 8.9
Cl1S C1S Cl2S . 112(2)
Cl1S C1S H1S . 118.6
Cl1S C1S H1SA . 109.2
Cl2S C1S H1S . 114.7
Cl2S C1S H1SA . 7.8
C1S C1S Cl1S 2_455 97(2)
C1S C1S Cl2S 2_455 104.2(12)
C1S C1S H1S 2_455 108.0
C1S C1S H1SA 2_455 112.0
H1S C1S H1SA . 111.3
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
S1 C1 . 1.708(19)
S1 C3 . 1.72(2)
S2 C1 . 1.71(2)
S2 C2 . 1.72(2)
S3 C2 . 1.72(2)
S3 C5A . 1.82(2)
S3 C5B . 1.82(2)
S4 C3 . 1.74(2)
S4 C4 . 1.82(2)
S4 C4A . 1.82(2)
S5 C6 . 1.72(2)
S5 C7 . 1.73(2)
S6 C6 . 1.716(19)
S6 C8 . 1.72(2)
S7 C8 . 1.75(2)
S7 C9A . 1.84(2)
S7 C9B . 1.84(2)
S8 C7 . 1.75(2)
S8 C10A . 1.84(2)
S8 C10B . 1.84(2)
C1 C6 . 1.40(3)
C2 C3 . 1.36(3)
C4 H4A . 0.9700
C4 H4B . 0.9700
C4 C5B . 1.46(4)
C4A H4AA . 0.9700
C4A H4AB . 0.9700
C4A C5A . 1.46(4)
C5A H5AA . 0.9700
C5A H5AB . 0.9700
C5B H5BA . 0.9700
C5B H5BB . 0.9700
C7 C8 . 1.35(3)
C9A H9AA . 0.9700
C9A H9AB . 0.9700
C9A C10A . 1.46(5)
C9B H9BA . 0.9700
C9B H9BB . 0.9700
C9B C10B . 1.46(14)
C10A H10A . 0.9700
C10A H10B . 0.9700
C10B H10C . 0.9700
C10B H10D . 0.9700
Re1 Re2 . 2.2174(10)
Re1 Br1 . 2.451(3)
Re1 Br2 . 2.451(2)
Re1 Br3 . 2.435(3)
Re1 O2 . 2.009(15)
Re2 Br4 . 2.454(2)
Re2 Br5 . 2.465(2)
Re2 Br6 . 2.473(2)
Re2 O1 . 2.040(16)
O1 C11 . 1.30(3)
O2 C11 . 1.30(3)
C11 C12 . 1.48(3)
C12 H12A . 0.9600
C12 H12B . 0.9600
C12 H12C . 0.9600
Cl1S C1S . 1.800(16)
Cl2S C1S . 1.81(2)
Cl2S H1SA . 0.8557
C1S C1S 2_455 1.515(18)
C1S H1S . 0.9700
C1S H1SA . 0.9703
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C5B H5BA Br1 1_555 0.98 2.77 3.63(8) 147
C9A H9AA Br6 8_544 0.97 2.80 3.60(3) 140
C9B H9BA S4 5_545 0.97 2.75 3.46(10) 130
C9B H9BB Br6 8_544 0.96 2.61 3.40(11) 140
C10A H10A Br4 2_545 0.97 2.92 3.83(4) 156
C10A H10B S3 5_545 0.97 2.81 3.57(3) 136
C10B H10D Br4 2_545 0.98 2.67 3.61(11) 161
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
S1 C1 C6 S5 0(3)
S1 C1 C6 S6 -177.4(11)
S2 C1 C6 S5 177.7(11)
S2 C1 C6 S6 0(2)
S2 C2 C3 S1 2(3)
S2 C2 C3 S4 -178.8(14)
S3 C2 C3 S1 -177.1(13)
S3 C2 C3 S4 2(3)
S4 C4 C5B S3 58(9)
S4 C4A C5A S3 -61(4)
S5 C7 C8 S6 1(2)
S5 C7 C8 S7 -178.2(13)
S7 C9A C10A S8 -71(3)
S7 C9B C10B S8 77(9)
S8 C7 C8 S6 179.3(13)
S8 C7 C8 S7 0(3)
C1 S1 C3 S4 176.8(14)
C1 S1 C3 C2 -4(2)
C1 S2 C2 S3 -179.7(12)
C1 S2 C2 C3 0.9(19)
C2 S2 C1 S1 -3.7(13)
C2 S2 C1 C6 178.7(17)
C2 S3 C5A C4A 22(4)
C2 S3 C5B C4 -61(7)
C3 S1 C1 S2 4.6(14)
C3 S1 C1 C6 -177.8(18)
C3 S4 C4 C5B -19(7)
C3 S4 C4A C5A 63(3)
C4 S4 C3 S1 168(3)
C4 S4 C3 C2 -11(4)
C4 S4 C4A C5A -54(6)
C4A S4 C3 S1 144.9(18)
C4A S4 C3 C2 -34(3)
C4A S4 C4 C5B 50(4)
C5A S3 C2 S2 -169.7(19)
C5A S3 C2 C3 10(3)
C5A S3 C5B C4 53(6)
C5B S3 C2 S2 -152(3)
C5B S3 C2 C3 28(3)
C5B S3 C5A C4A -48(8)
C6 S5 C7 S8 -179.3(12)
C6 S5 C7 C8 -0.5(19)
C6 S6 C8 S7 178.5(13)
C6 S6 C8 C7 -0.6(19)
C7 S5 C6 S6 0.1(14)
C7 S5 C6 C1 -177.7(18)
C7 S8 C10A C9A 40(3)
C7 S8 C10B C9B -63(7)
C8 S6 C6 S5 0.2(14)
C8 S6 C6 C1 178.1(17)
C8 S7 C9A C10A 58(3)
C8 S7 C9B C10B -42(7)
C9A S7 C8 S6 158.8(15)
C9A S7 C8 C7 -22(2)
C9A S7 C9B C10B 42(6)
C9B S7 C8 S6 -175(4)
C9B S7 C8 C7 4(4)
C9B S7 C9A C10A -43(8)
C10A S8 C7 S5 174.5(16)
C10A S8 C7 C8 -4(3)
C10A S8 C10B C9B 43(6)
C10B S8 C7 S5 -158(4)
C10B S8 C7 C8 23(4)
C10B S8 C10A C9A -40(8)
Re1 Re2 O1 C11 -3.2(15)
Re1 O2 C11 O1 -6(2)
Re1 O2 C11 C12 175.2(17)
Re2 Re1 O2 C11 3.0(15)
Re2 O1 C11 O2 6(3)
Re2 O1 C11 C12 -175.0(17)
Br1 Re1 Re2 Br4 -90.90(10)
Br1 Re1 Re2 Br5 1.54(11)
Br1 Re1 Re2 Br6 92.30(10)
Br1 Re1 Re2 O1 179.4(5)
Br1 Re1 O2 C11 -174.7(11)
Br2 Re1 Re2 Br4 175.23(10)
Br2 Re1 Re2 Br5 -92.32(10)
Br2 Re1 Re2 Br6 -1.56(10)
Br2 Re1 Re2 O1 85.6(5)
Br2 Re1 O2 C11 -105.9(15)
Br3 Re1 Re2 Br4 3.05(11)
Br3 Re1 Re2 Br5 95.49(11)
Br3 Re1 Re2 Br6 -173.75(10)
Br3 Re1 Re2 O1 -86.6(5)
Br3 Re1 O2 C11 110.1(15)
Br4 Re2 O1 C11 -105.8(15)
Br5 Re2 O1 C11 169.2(11)
Br6 Re2 O1 C11 98.6(15)
O2 Re1 Re2 Br4 89.8(5)
O2 Re1 Re2 Br5 -177.8(5)
O2 Re1 Re2 Br6 -87.0(5)
O2 Re1 Re2 O1 0.1(6)

_cod_database_fobs_code 2241665
