#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/41/2224162.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_2224162
loop_
_publ_author_name
'Espinosa-Jalapa, Noel'
'Hernández-Ortega, Simón'
'Le Lagadec, Ronan'
'Morales-Morales, David'
_publ_section_title
;
 Di-μ₂-bromido-bis[bromido(η⁶-1,2,4,5-tetramethylbenzene)ruthenium(II)]
;
_journal_coeditor_code           CV2636
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1684
_journal_paper_doi               10.1107/S1600536809049642
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ru2 Br4 (C10 H14)2]'
_chemical_formula_moiety         'C20 H28 Br4 Ru2'
_chemical_formula_sum            'C20 H28 Br4 Ru2'
_chemical_formula_weight         790.20
_chemical_name_systematic
;
Di-μ₂-bromido-bis[bromido(η⁶-1,2,4,5-tetramethylbenzene)ruthenium(II)]
;
_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                88.335(2)
_cell_angle_beta                 74.508(2)
_cell_angle_gamma                69.648(2)
_cell_formula_units_Z            1
_cell_length_a                   7.8866(13)
_cell_length_b                   8.2873(14)
_cell_length_c                   9.8627(17)
_cell_measurement_reflns_used    3668
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.3811
_cell_measurement_theta_min      2.6280
_cell_volume                     580.96(17)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 0.83
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '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  0.0634
_diffrn_reflns_av_sigmaI/netI    0.0550
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4786
_diffrn_reflns_theta_full        25.38
_diffrn_reflns_theta_max         25.38
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    8.181
_exptl_absorpt_correction_T_max  0.4781
_exptl_absorpt_correction_T_min  0.1385
_exptl_absorpt_correction_type   'Face indexed-numerical'
_exptl_absorpt_process_details   '(SHELXTL; Sheldrick, 2008)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    2.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             376
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.521
_refine_diff_density_min         -0.653
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     122
_refine_ls_number_reflns         2108
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0243
_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)+(0.0227P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0585
_refine_ls_wR_factor_ref         0.0595
_reflns_number_gt                1878
_reflns_number_total             2108
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            cv2636.cif
_cod_data_source_block           I
_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 

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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2224162
_cod_database_fobs_code          2224162
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru 0.63750(4) 0.49125(3) 0.30491(3) 0.02810(10) Uani d . 1 . .
Br Br1 0.64758(5) 0.29795(4) 0.51434(4) 0.04089(12) Uani d . 1 . .
Br Br2 0.41130(6) 0.36687(6) 0.24801(4) 0.05137(14) Uani d . 1 . .
C C1 0.8371(5) 0.3925(4) 0.0980(4) 0.0367(8) Uani d . 1 . .
C C2 0.9352(5) 0.3568(4) 0.2017(4) 0.0379(8) Uani d . 1 . .
C C3 0.9134(5) 0.4943(4) 0.2952(4) 0.0377(8) Uani d . 1 . .
H H3 0.9789 0.4699 0.3634 0.045 Uiso calc R 1 . .
C C4 0.7972(5) 0.6654(4) 0.2891(4) 0.0407(9) Uani d . 1 . .
C C5 0.6944(5) 0.7014(4) 0.1860(4) 0.0396(9) Uani d . 1 . .
C C6 0.7172(5) 0.5650(5) 0.0931(4) 0.0389(8) Uani d . 1 . .
H H6 0.6507 0.5888 0.0255 0.047 Uiso calc R 1 . .
C C7 0.8478(6) 0.2543(5) -0.0040(4) 0.0546(11) Uani d . 1 . .
H H7A 0.7734 0.3062 -0.0672 0.082 Uiso calc R 1 . .
H H7B 0.8006 0.1717 0.0475 0.082 Uiso calc R 1 . .
H H7C 0.9762 0.1974 -0.0572 0.082 Uiso calc R 1 . .
C C8 1.0565(6) 0.1754(5) 0.2196(5) 0.0557(11) Uani d . 1 . .
H H8A 1.1764 0.1450 0.1505 0.084 Uiso calc R 1 . .
H H8B 0.9959 0.0967 0.2073 0.084 Uiso calc R 1 . .
H H8C 1.0744 0.1692 0.3124 0.084 Uiso calc R 1 . .
C C9 0.7843(7) 0.8028(5) 0.3909(5) 0.0620(12) Uani d . 1 . .
H H9A 0.8514 0.7506 0.4584 0.093 Uiso calc R 1 . .
H H9B 0.6547 0.8639 0.4392 0.093 Uiso calc R 1 . .
H H9C 0.8385 0.8818 0.3405 0.093 Uiso calc R 1 . .
C C10 0.5588(7) 0.8778(5) 0.1774(5) 0.0629(13) Uani d . 1 . .
H H10A 0.4830 0.8707 0.1176 0.094 Uiso calc R 1 . .
H H10B 0.6271 0.9520 0.1389 0.094 Uiso calc R 1 . .
H H10C 0.4792 0.9236 0.2700 0.094 Uiso calc R 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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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
C6 Ru C3 . . 79.89(15) ?
C6 Ru C5 . . 37.93(13) ?
C3 Ru C5 . . 68.14(14) ?
C6 Ru C2 . . 68.16(14) ?
C3 Ru C2 . . 38.18(13) ?
C5 Ru C2 . . 81.73(14) ?
C6 Ru C1 . . 38.21(14) ?
C3 Ru C1 . . 68.06(13) ?
C5 Ru C1 . . 69.31(13) ?
C2 Ru C1 . . 37.53(14) ?
C6 Ru C4 . . 68.13(14) ?
C3 Ru C4 . . 37.60(13) ?
C5 Ru C4 . . 38.01(14) ?
C2 Ru C4 . . 69.00(13) ?
C1 Ru C4 . . 81.45(13) ?
C6 Ru Br2 . . 92.41(11) ?
C3 Ru Br2 . . 154.25(9) ?
C5 Ru Br2 . . 119.06(11) ?
C2 Ru Br2 . . 116.19(10) ?
C1 Ru Br2 . . 90.67(10) ?
C4 Ru Br2 . . 157.03(10) ?
C6 Ru Br1 . 2_666 119.11(10) ?
C3 Ru Br1 . 2_666 118.25(9) ?
C5 Ru Br1 . 2_666 92.02(9) ?
C2 Ru Br1 . 2_666 156.13(10) ?
C1 Ru Br1 . 2_666 157.12(10) ?
C4 Ru Br1 . 2_666 91.93(9) ?
Br2 Ru Br1 . 2_666 87.02(2) ?
C6 Ru Br1 . . 158.03(10) ?
C3 Ru Br1 . . 90.73(10) ?
C5 Ru Br1 . . 152.74(10) ?
C2 Ru Br1 . . 92.20(10) ?
C1 Ru Br1 . . 119.82(10) ?
C4 Ru Br1 . . 115.15(10) ?
Br2 Ru Br1 . . 87.508(18) ?
Br1 Ru Br1 2_666 . 82.838(17) ?
Ru Br1 Ru 2_666 . 97.162(17) ?
C2 C1 C6 . . 118.3(3) ?
C2 C1 C7 . . 122.8(3) ?
C6 C1 C7 . . 118.8(3) ?
C2 C1 Ru . . 70.89(19) ?
C6 C1 Ru . . 69.36(18) ?
C7 C1 Ru . . 129.3(3) ?
C1 C2 C3 . . 119.0(3) ?
C1 C2 C8 . . 121.6(3) ?
C3 C2 C8 . . 119.3(3) ?
C1 C2 Ru . . 71.58(19) ?
C3 C2 Ru . . 70.13(19) ?
C8 C2 Ru . . 128.1(3) ?
C4 C3 C2 . . 122.8(3) ?
C4 C3 Ru . . 72.7(2) ?
C2 C3 Ru . . 71.7(2) ?
C4 C3 H3 . . 118.6 ?
C2 C3 H3 . . 118.6 ?
Ru C3 H3 . . 129.7 ?
C3 C4 C5 . . 118.3(3) ?
C3 C4 C9 . . 119.3(4) ?
C5 C4 C9 . . 122.4(3) ?
C3 C4 Ru . . 69.7(2) ?
C5 C4 Ru . . 70.2(2) ?
C9 C4 Ru . . 131.5(3) ?
C6 C5 C4 . . 118.6(3) ?
C6 C5 C10 . . 119.3(4) ?
C4 C5 C10 . . 122.0(4) ?
C6 C5 Ru . . 69.9(2) ?
C4 C5 Ru . . 71.7(2) ?
C10 C5 Ru . . 128.2(3) ?
C5 C6 C1 . . 122.9(3) ?
C5 C6 Ru . . 72.2(2) ?
C1 C6 Ru . . 72.4(2) ?
C5 C6 H6 . . 118.5 ?
C1 C6 H6 . . 118.5 ?
Ru C6 H6 . . 129.5 ?
C1 C7 H7A . . 109.5 ?
C1 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
C1 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
C2 C8 H8A . . 109.5 ?
C2 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C2 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 ?
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
Ru C6 . 2.150(3) ?
Ru C3 . 2.161(4) ?
Ru C5 . 2.180(4) ?
Ru C2 . 2.182(3) ?
Ru C1 . 2.191(3) ?
Ru C4 . 2.200(4) ?
Ru Br2 . 2.5313(6) ?
Ru Br1 2_666 2.5676(5) ?
Ru Br1 . 2.5780(5) ?
Br1 Ru 2_666 2.5676(5) ?
C1 C2 . 1.407(5) ?
C1 C6 . 1.421(5) ?
C1 C7 . 1.511(5) ?
C2 C3 . 1.421(5) ?
C2 C8 . 1.510(5) ?
C3 C4 . 1.406(5) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.427(5) ?
C4 C9 . 1.498(5) ?
C5 C6 . 1.408(5) ?
C5 C10 . 1.497(5) ?
C6 H6 . 0.9300 ?
C7 H7A . 0.9600 ?
C7 H7B . 0.9600 ?
C7 H7C . 0.9600 ?
C8 H8A . 0.9600 ?
C8 H8B . 0.9600 ?
C8 H8C . 0.9600 ?
C9 H9A . 0.9600 ?
C9 H9B . 0.9600 ?
C9 H9C . 0.9600 ?
C10 H10A . 0.9600 ?
C10 H10B . 0.9600 ?
C10 H10C . 0.9600 ?
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
C6 H6 Br2 2_665 0.93 2.859 3.739(4) 158.2
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C6 Ru Br1 Ru . . . 2_666 -177.6(3) ?
C3 Ru Br1 Ru . . . 2_666 118.39(9) ?
C5 Ru Br1 Ru . . . 2_666 80.4(2) ?
C2 Ru Br1 Ru . . . 2_666 156.56(10) ?
C1 Ru Br1 Ru . . . 2_666 -176.65(12) ?
C4 Ru Br1 Ru . . . 2_666 88.77(10) ?
Br2 Ru Br1 Ru . . . 2_666 -87.31(2) ?
Br1 Ru Br1 Ru 2_666 . . 2_666 0.0 ?
C6 Ru C1 C2 . . . . 131.8(3) ?
C3 Ru C1 C2 . . . . 29.9(2) ?
C5 Ru C1 C2 . . . . 103.8(2) ?
C4 Ru C1 C2 . . . . 66.5(2) ?
Br2 Ru C1 C2 . . . . -135.2(2) ?
Br1 Ru C1 C2 2_666 . . . 140.9(2) ?
Br1 Ru C1 C2 . . . . -47.7(2) ?
C3 Ru C1 C6 . . . . -101.9(2) ?
C5 Ru C1 C6 . . . . -27.9(2) ?
C2 Ru C1 C6 . . . . -131.8(3) ?
C4 Ru C1 C6 . . . . -65.3(2) ?
Br2 Ru C1 C6 . . . . 93.0(2) ?
Br1 Ru C1 C6 2_666 . . . 9.1(4) ?
Br1 Ru C1 C6 . . . . -179.45(18) ?
C6 Ru C1 C7 . . . . -111.0(4) ?
C3 Ru C1 C7 . . . . 147.2(4) ?
C5 Ru C1 C7 . . . . -138.9(4) ?
C2 Ru C1 C7 . . . . 117.2(4) ?
C4 Ru C1 C7 . . . . -176.3(4) ?
Br2 Ru C1 C7 . . . . -17.9(3) ?
Br1 Ru C1 C7 2_666 . . . -101.9(4) ?
Br1 Ru C1 C7 . . . . 69.6(4) ?
C6 C1 C2 C3 . . . . -1.2(5) ?
C7 C1 C2 C3 . . . . -178.6(3) ?
Ru C1 C2 C3 . . . . -53.6(3) ?
C6 C1 C2 C8 . . . . 176.3(4) ?
C7 C1 C2 C8 . . . . -1.1(6) ?
Ru C1 C2 C8 . . . . 123.9(4) ?
C6 C1 C2 Ru . . . . 52.4(3) ?
C7 C1 C2 Ru . . . . -125.0(4) ?
C6 Ru C2 C1 . . . . -29.8(2) ?
C3 Ru C2 C1 . . . . -131.6(3) ?
C5 Ru C2 C1 . . . . -66.6(2) ?
C4 Ru C2 C1 . . . . -103.8(2) ?
Br2 Ru C2 C1 . . . . 51.8(2) ?
Br1 Ru C2 C1 2_666 . . . -142.7(2) ?
Br1 Ru C2 C1 . . . . 140.1(2) ?
C6 Ru C2 C3 . . . . 101.8(2) ?
C5 Ru C2 C3 . . . . 64.9(2) ?
C1 Ru C2 C3 . . . . 131.6(3) ?
C4 Ru C2 C3 . . . . 27.8(2) ?
Br2 Ru C2 C3 . . . . -176.69(17) ?
Br1 Ru C2 C3 2_666 . . . -11.2(4) ?
Br1 Ru C2 C3 . . . . -88.4(2) ?
C6 Ru C2 C8 . . . . -146.0(4) ?
C3 Ru C2 C8 . . . . 112.3(4) ?
C5 Ru C2 C8 . . . . 177.2(4) ?
C1 Ru C2 C8 . . . . -116.2(4) ?
C4 Ru C2 C8 . . . . 140.0(4) ?
Br2 Ru C2 C8 . . . . -64.4(4) ?
Br1 Ru C2 C8 2_666 . . . 101.1(4) ?
Br1 Ru C2 C8 . . . . 23.9(3) ?
C1 C2 C3 C4 . . . . 0.2(5) ?
C8 C2 C3 C4 . . . . -177.4(4) ?
Ru C2 C3 C4 . . . . -54.1(3) ?
C1 C2 C3 Ru . . . . 54.3(3) ?
C8 C2 C3 Ru . . . . -123.3(3) ?
C6 Ru C3 C4 . . . . 67.1(2) ?
C5 Ru C3 C4 . . . . 29.5(2) ?
C2 Ru C3 C4 . . . . 134.5(3) ?
C1 Ru C3 C4 . . . . 105.1(2) ?
Br2 Ru C3 C4 . . . . 141.4(2) ?
Br1 Ru C3 C4 2_666 . . . -50.6(2) ?
Br1 Ru C3 C4 . . . . -132.8(2) ?
C6 Ru C3 C2 . . . . -67.4(2) ?
C5 Ru C3 C2 . . . . -105.0(2) ?
C1 Ru C3 C2 . . . . -29.4(2) ?
C4 Ru C3 C2 . . . . -134.5(3) ?
Br2 Ru C3 C2 . . . . 6.9(4) ?
Br1 Ru C3 C2 2_666 . . . 174.90(17) ?
Br1 Ru C3 C2 . . . . 92.6(2) ?
C2 C3 C4 C5 . . . . 1.1(5) ?
Ru C3 C4 C5 . . . . -52.5(3) ?
C2 C3 C4 C9 . . . . -179.3(4) ?
Ru C3 C4 C9 . . . . 127.1(4) ?
C2 C3 C4 Ru . . . . 53.6(3) ?
C6 Ru C4 C3 . . . . -102.2(2) ?
C5 Ru C4 C3 . . . . -132.1(3) ?
C2 Ru C4 C3 . . . . -28.2(2) ?
C1 Ru C4 C3 . . . . -64.9(2) ?
Br2 Ru C4 C3 . . . . -136.0(2) ?
Br1 Ru C4 C3 2_666 . . . 137.1(2) ?
Br1 Ru C4 C3 . . . . 54.1(2) ?
C6 Ru C4 C5 . . . . 29.92(19) ?
C3 Ru C4 C5 . . . . 132.1(3) ?
C2 Ru C4 C5 . . . . 103.9(2) ?
C1 Ru C4 C5 . . . . 67.2(2) ?
Br2 Ru C4 C5 . . . . -3.9(4) ?
Br1 Ru C4 C5 2_666 . . . -90.81(19) ?
Br1 Ru C4 C5 . . . . -173.80(16) ?
C6 Ru C4 C9 . . . . 146.2(4) ?
C3 Ru C4 C9 . . . . -111.6(5) ?
C5 Ru C4 C9 . . . . 116.3(5) ?
C2 Ru C4 C9 . . . . -139.8(4) ?
C1 Ru C4 C9 . . . . -176.5(4) ?
Br2 Ru C4 C9 . . . . 112.4(4) ?
Br1 Ru C4 C9 2_666 . . . 25.5(4) ?
Br1 Ru C4 C9 . . . . -57.5(4) ?
C3 C4 C5 C6 . . . . -1.4(5) ?
C9 C4 C5 C6 . . . . 179.0(3) ?
Ru C4 C5 C6 . . . . -53.7(3) ?
C3 C4 C5 C10 . . . . 176.4(4) ?
C9 C4 C5 C10 . . . . -3.2(6) ?
Ru C4 C5 C10 . . . . 124.1(4) ?
C3 C4 C5 Ru . . . . 52.3(3) ?
C9 C4 C5 Ru . . . . -127.3(4) ?
C3 Ru C5 C6 . . . . 102.0(2) ?
C2 Ru C5 C6 . . . . 64.8(2) ?
C1 Ru C5 C6 . . . . 28.1(2) ?
C4 Ru C5 C6 . . . . 131.1(3) ?
Br2 Ru C5 C6 . . . . -50.6(2) ?
Br1 Ru C5 C6 2_666 . . . -138.3(2) ?
Br1 Ru C5 C6 . . . . 143.5(2) ?
C6 Ru C5 C4 . . . . -131.1(3) ?
C3 Ru C5 C4 . . . . -29.2(2) ?
C2 Ru C5 C4 . . . . -66.3(2) ?
C1 Ru C5 C4 . . . . -103.0(2) ?
Br2 Ru C5 C4 . . . . 178.27(16) ?
Br1 Ru C5 C4 2_666 . . . 90.55(19) ?
Br1 Ru C5 C4 . . . . 12.3(3) ?
C6 Ru C5 C10 . . . . 112.1(5) ?
C3 Ru C5 C10 . . . . -146.0(4) ?
C2 Ru C5 C10 . . . . 176.9(4) ?
C1 Ru C5 C10 . . . . 140.2(4) ?
C4 Ru C5 C10 . . . . -116.8(4) ?
Br2 Ru C5 C10 . . . . 61.5(4) ?
Br1 Ru C5 C10 2_666 . . . -26.2(4) ?
Br1 Ru C5 C10 . . . . -104.5(4) ?
C4 C5 C6 C1 . . . . 0.4(5) ?
C10 C5 C6 C1 . . . . -177.4(4) ?
Ru C5 C6 C1 . . . . -54.1(3) ?
C4 C5 C6 Ru . . . . 54.6(3) ?
C10 C5 C6 Ru . . . . -123.3(4) ?
C2 C1 C6 C5 . . . . 0.9(5) ?
C7 C1 C6 C5 . . . . 178.4(3) ?
Ru C1 C6 C5 . . . . 54.0(3) ?
C2 C1 C6 Ru . . . . -53.1(3) ?
C7 C1 C6 Ru . . . . 124.4(3) ?
C3 Ru C6 C5 . . . . -67.3(2) ?
C2 Ru C6 C5 . . . . -105.2(2) ?
C1 Ru C6 C5 . . . . -134.5(3) ?
C4 Ru C6 C5 . . . . -30.0(2) ?
Br2 Ru C6 C5 . . . . 137.5(2) ?
Br1 Ru C6 C5 2_666 . . . 49.5(2) ?
Br1 Ru C6 C5 . . . . -133.2(2) ?
C3 Ru C6 C1 . . . . 67.2(2) ?
C5 Ru C6 C1 . . . . 134.5(3) ?
C2 Ru C6 C1 . . . . 29.3(2) ?
C4 Ru C6 C1 . . . . 104.5(2) ?
Br2 Ru C6 C1 . . . . -88.0(2) ?
Br1 Ru C6 C1 2_666 . . . -175.95(18) ?
Br1 Ru C6 C1 . . . . 1.3(4) ?
