#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:17:52 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180386 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/55/7205539.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_7205539
loop_
_publ_author_name
'Thibault, Michelle E.'
'DiMondo, Domenico V.'
'Jennings, Michael'
'Abdelnur, Patrícia Verardi'
'Eberlin, Marcos N.'
'Schlaf, Marcel'
_publ_section_title
;
 Cyclopentadienyl and pentamethylcyclopentadienyl ruthenium complexes
 as catalysts for the total deoxygenation of 1,2-hexanediol and
 glycerol
;
_journal_issue                   2
_journal_name_full               'Green Chemistry'
_journal_page_first              357
_journal_paper_doi               10.1039/c0gc00255k
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C17 H16 N3 Ru, C F3 O3 S'
_chemical_formula_sum            'C18 H16 F3 N3 O3 Ru S'
_chemical_formula_weight         512.47
_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                101.718(5)
_cell_angle_beta                 114.717(4)
_cell_angle_gamma                102.712(5)
_cell_formula_units_Z            2
_cell_length_a                   9.3778(10)
_cell_length_b                   10.7852(10)
_cell_length_c                   11.1818(13)
_cell_measurement_reflns_used    16909
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.04
_cell_volume                     944.94(18)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997-2001)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2001)'
_computing_publication_material  SHELXTL/PC
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'φ scans, and ω scans with κ offsets'
_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  0.045
_diffrn_reflns_av_sigmaI/netI    0.0617
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8794
_diffrn_reflns_theta_full        27.77
_diffrn_reflns_theta_max         27.77
_diffrn_reflns_theta_min         2.67
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.995
_exptl_absorpt_correction_T_max  0.9756
_exptl_absorpt_correction_T_min  0.7546
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.801
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.674
_refine_diff_density_min         -0.950
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         4337
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0395
_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)+(0.0380P)²+0.5160P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
_refine_ls_wR_factor_ref         0.0920
_reflns_number_gt                3549
_reflns_number_total             4337
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            C0GC00255K.TXT
_cod_data_source_block           08081
_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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        944.94(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7205539
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
Ru Ru 0.53312(3) 0.74225(3) 0.73805(3) 0.01980(9) Uani 1 1 d . . .
C1 C 0.7710(5) 0.8806(4) 0.7871(4) 0.0332(9) Uani 1 1 d . . .
H1A H 0.8374 0.9683 0.8656 0.040 Uiso 1 1 calc R . .
C2 C 0.6500(5) 0.8617(4) 0.6493(4) 0.0313(9) Uani 1 1 d . . .
H2A H 0.6158 0.9346 0.6149 0.038 Uiso 1 1 calc R . .
C3 C 0.5889(5) 0.7246(4) 0.5674(4) 0.0293(8) Uani 1 1 d . . .
H3A H 0.5064 0.6834 0.4655 0.035 Uiso 1 1 calc R . .
C4 C 0.6755(5) 0.6563(4) 0.6574(4) 0.0273(8) Uani 1 1 d . . .
H4A H 0.6621 0.5586 0.6286 0.033 Uiso 1 1 calc R . .
C5 C 0.7867(4) 0.7521(4) 0.7913(4) 0.0286(8) Uani 1 1 d . . .
H5A H 0.8656 0.7342 0.8738 0.034 Uiso 1 1 calc R . .
N6 N 0.3265(4) 0.5676(3) 0.6424(3) 0.0226(6) Uani 1 1 d . . .
C7 C 0.2195(5) 0.4676(4) 0.5813(4) 0.0259(8) Uani 1 1 d . . .
C8 C 0.0837(5) 0.3385(4) 0.4987(4) 0.0336(9) Uani 1 1 d . . .
H8A H -0.0175 0.3534 0.4380 0.050 Uiso 1 1 calc R . .
H8B H 0.0625 0.2946 0.5611 0.050 Uiso 1 1 calc R . .
H8C H 0.1149 0.2807 0.4413 0.050 Uiso 1 1 calc R . .
N11 N 0.3754(3) 0.8480(3) 0.7530(3) 0.0216(6) Uani 1 1 d . . .
C12 C 0.3026(4) 0.9087(3) 0.6618(4) 0.0279(8) Uani 1 1 d . . .
H12A H 0.3242 0.9051 0.5856 0.034 Uiso 1 1 calc R . .
C13 C 0.1977(5) 0.9761(3) 0.6755(4) 0.0339(9) Uani 1 1 d . . .
H13A H 0.1500 1.0192 0.6103 0.041 Uiso 1 1 calc R . .
C14 C 0.1630(5) 0.9804(4) 0.7835(4) 0.0359(9) Uani 1 1 d . . .
H14A H 0.0917 1.0266 0.7946 0.043 Uiso 1 1 calc R . .
C15 C 0.2341(5) 0.9162(4) 0.8760(4) 0.0321(9) Uani 1 1 d . . .
H15A H 0.2096 0.9159 0.9503 0.039 Uiso 1 1 calc R . .
C16 C 0.3414(4) 0.8520(3) 0.8600(4) 0.0233(7) Uani 1 1 d . . .
C17 C 0.4286(4) 0.7858(3) 0.9556(4) 0.0231(7) Uani 1 1 d . . .
C18 C 0.4077(5) 0.7738(4) 1.0687(4) 0.0303(8) Uani 1 1 d . . .
H18A H 0.3316 0.8079 1.0878 0.036 Uiso 1 1 calc R . .
C19 C 0.4986(5) 0.7119(4) 1.1534(4) 0.0341(9) Uani 1 1 d . . .
H19A H 0.4855 0.7027 1.2313 0.041 Uiso 1 1 calc R . .
C20 C 0.6084(5) 0.6636(4) 1.1236(4) 0.0322(8) Uani 1 1 d . . .
H20A H 0.6728 0.6213 1.1812 0.039 Uiso 1 1 calc R . .
C21 C 0.6236(5) 0.6772(3) 1.0098(4) 0.0274(8) Uani 1 1 d . . .
H21A H 0.6997 0.6436 0.9901 0.033 Uiso 1 1 calc R . .
N22 N 0.5348(3) 0.7362(3) 0.9246(3) 0.0210(6) Uani 1 1 d . . .
O31 O 1.0393(3) 0.8109(3) 1.3186(3) 0.0335(6) Uani 1 1 d . . .
O32 O 1.3051(3) 0.8131(3) 1.3321(3) 0.0340(6) Uani 1 1 d . . .
O33 O 1.0680(3) 0.7788(2) 1.1095(3) 0.0316(6) Uani 1 1 d . . .
S34 S 1.12656(11) 0.76879(9) 1.24719(9) 0.02455(19) Uani 1 1 d . . .
C35 C 1.0649(5) 0.5872(4) 1.2138(4) 0.0297(8) Uani 1 1 d . . .
F36 F 1.1393(3) 0.5302(2) 1.1518(2) 0.0417(6) Uani 1 1 d . . .
F37 F 0.9004(3) 0.5257(2) 1.1336(3) 0.0456(6) Uani 1 1 d . . .
F38 F 1.1074(3) 0.5602(2) 1.3338(3) 0.0429(6) 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'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 '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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N6 Ru N22 85.76(11) . . ?
N6 Ru N11 87.39(10) . . ?
N22 Ru N11 76.36(10) . . ?
N6 Ru C2 130.46(14) . . ?
N22 Ru C2 143.56(14) . . ?
N11 Ru C2 98.62(12) . . ?
N6 Ru C4 95.12(12) . . ?
N22 Ru C4 124.41(12) . . ?
N11 Ru C4 159.18(13) . . ?
C2 Ru C4 64.23(13) . . ?
N6 Ru C3 97.20(13) . . ?
N22 Ru C3 163.32(12) . . ?
N11 Ru C3 120.08(12) . . ?
C2 Ru C3 38.14(14) . . ?
C4 Ru C3 39.11(13) . . ?
N6 Ru C1 158.95(12) . . ?
N22 Ru C1 108.88(13) . . ?
N11 Ru C1 110.33(12) . . ?
C2 Ru C1 38.32(15) . . ?
C4 Ru C1 64.26(14) . . ?
C3 Ru C1 64.47(15) . . ?
N6 Ru C5 125.67(12) . . ?
N22 Ru C5 100.27(12) . . ?
N11 Ru C5 146.75(13) . . ?
C2 Ru C5 64.24(14) . . ?
C4 Ru C5 38.03(14) . . ?
C3 Ru C5 64.68(14) . . ?
C1 Ru C5 38.63(14) . . ?
C2 C1 C5 107.5(3) . . ?
C2 C1 Ru 70.6(2) . . ?
C5 C1 Ru 70.81(19) . . ?
C2 C1 H1A 126.2 . . ?
C5 C1 H1A 126.2 . . ?
Ru C1 H1A 126.2 . . ?
C3 C2 C1 109.3(3) . . ?
C3 C2 Ru 71.20(19) . . ?
C1 C2 Ru 71.1(2) . . ?
C3 C2 H2A 125.3 . . ?
C1 C2 H2A 125.3 . . ?
Ru C2 H2A 125.3 . . ?
C2 C3 C4 106.8(3) . . ?
C2 C3 Ru 70.66(19) . . ?
C4 C3 Ru 70.29(19) . . ?
C2 C3 H3A 126.6 . . ?
C4 C3 H3A 126.6 . . ?
Ru C3 H3A 126.6 . . ?
C5 C4 C3 108.4(3) . . ?
C5 C4 Ru 71.29(19) . . ?
C3 C4 Ru 70.60(18) . . ?
C5 C4 H4A 125.8 . . ?
C3 C4 H4A 125.8 . . ?
Ru C4 H4A 125.8 . . ?
C4 C5 C1 108.0(3) . . ?
C4 C5 Ru 70.68(19) . . ?
C1 C5 Ru 70.6(2) . . ?
C4 C5 H5A 126.0 . . ?
C1 C5 H5A 126.0 . . ?
Ru C5 H5A 126.0 . . ?
C7 N6 Ru 173.0(3) . . ?
N6 C7 C8 177.8(4) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C12 N11 C16 118.3(3) . . ?
C12 N11 Ru 124.5(2) . . ?
C16 N11 Ru 117.2(2) . . ?
N11 C12 C13 122.3(3) . . ?
N11 C12 H12A 118.9 . . ?
C13 C12 H12A 118.9 . . ?
C14 C13 C12 119.6(4) . . ?
C14 C13 H13A 120.2 . . ?
C12 C13 H13A 120.2 . . ?
C13 C14 C15 118.7(3) . . ?
C13 C14 H14A 120.7 . . ?
C15 C14 H14A 120.7 . . ?
C14 C15 C16 119.8(4) . . ?
C14 C15 H15A 120.1 . . ?
C16 C15 H15A 120.1 . . ?
N11 C16 C15 121.3(3) . . ?
N11 C16 C17 114.6(3) . . ?
C15 C16 C17 124.1(3) . . ?
N22 C17 C18 121.6(3) . . ?
N22 C17 C16 114.2(3) . . ?
C18 C17 C16 124.2(3) . . ?
C19 C18 C17 119.4(3) . . ?
C19 C18 H18A 120.3 . . ?
C17 C18 H18A 120.3 . . ?
C20 C19 C18 119.2(3) . . ?
C20 C19 H19A 120.4 . . ?
C18 C19 H19A 120.4 . . ?
C21 C20 C19 119.2(3) . . ?
C21 C20 H20A 120.4 . . ?
C19 C20 H20A 120.4 . . ?
N22 C21 C20 122.7(3) . . ?
N22 C21 H21A 118.6 . . ?
C20 C21 H21A 118.6 . . ?
C21 N22 C17 117.9(3) . . ?
C21 N22 Ru 124.6(2) . . ?
C17 N22 Ru 117.2(2) . . ?
O32 S34 O33 115.40(16) . . ?
O32 S34 O31 114.98(16) . . ?
O33 S34 O31 114.98(15) . . ?
O32 S34 C35 102.58(16) . . ?
O33 S34 C35 103.27(16) . . ?
O31 S34 C35 103.02(16) . . ?
F36 C35 F37 107.9(3) . . ?
F36 C35 F38 107.0(3) . . ?
F37 C35 F38 107.0(3) . . ?
F36 C35 S34 111.8(2) . . ?
F37 C35 S34 112.0(2) . . ?
F38 C35 S34 110.8(3) . . ?
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
Ru N6 2.071(3) . ?
Ru N22 2.094(3) . ?
Ru N11 2.095(3) . ?
Ru C2 2.157(3) . ?
Ru C4 2.160(3) . ?
Ru C3 2.164(3) . ?
Ru C1 2.164(3) . ?
Ru C5 2.168(3) . ?
C1 C2 1.418(6) . ?
C1 C5 1.433(5) . ?
C1 H1A 1.0000 . ?
C2 C3 1.412(5) . ?
C2 H2A 1.0000 . ?
C3 C4 1.447(5) . ?
C3 H3A 1.0000 . ?
C4 C5 1.410(5) . ?
C4 H4A 1.0000 . ?
C5 H5A 1.0000 . ?
N6 C7 1.135(4) . ?
C7 C8 1.459(5) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
N11 C12 1.349(4) . ?
N11 C16 1.357(4) . ?
C12 C13 1.384(5) . ?
C12 H12A 0.9500 . ?
C13 C14 1.371(6) . ?
C13 H13A 0.9500 . ?
C14 C15 1.383(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.390(5) . ?
C15 H15A 0.9500 . ?
C16 C17 1.468(5) . ?
C17 N22 1.358(4) . ?
C17 C18 1.384(5) . ?
C18 C19 1.379(5) . ?
C18 H18A 0.9500 . ?
C19 C20 1.376(5) . ?
C19 H19A 0.9500 . ?
C20 C21 1.371(5) . ?
C20 H20A 0.9500 . ?
C21 N22 1.351(4) . ?
C21 H21A 0.9500 . ?
O31 S34 1.441(2) . ?
O32 S34 1.438(3) . ?
O33 S34 1.439(2) . ?
S34 C35 1.826(4) . ?
C35 F36 1.329(4) . ?
C35 F37 1.332(4) . ?
C35 F38 1.344(4) . ?
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
N6 Ru C1 C2 68.0(4) . . . . ?
N22 Ru C1 C2 -159.81(19) . . . . ?
N11 Ru C1 C2 -77.8(2) . . . . ?
C4 Ru C1 C2 80.3(2) . . . . ?
C3 Ru C1 C2 36.7(2) . . . . ?
C5 Ru C1 C2 117.4(3) . . . . ?
N6 Ru C1 C5 -49.4(5) . . . . ?
N22 Ru C1 C5 82.8(2) . . . . ?
N11 Ru C1 C5 164.8(2) . . . . ?
C2 Ru C1 C5 -117.4(3) . . . . ?
C4 Ru C1 C5 -37.1(2) . . . . ?
C3 Ru C1 C5 -80.7(2) . . . . ?
C5 C1 C2 C3 0.3(4) . . . . ?
Ru C1 C2 C3 -61.3(2) . . . . ?
C5 C1 C2 Ru 61.5(2) . . . . ?
N6 Ru C2 C3 -35.0(3) . . . . ?
N22 Ru C2 C3 152.4(2) . . . . ?
N11 Ru C2 C3 -128.9(2) . . . . ?
C4 Ru C2 C3 38.7(2) . . . . ?
C1 Ru C2 C3 119.1(3) . . . . ?
C5 Ru C2 C3 81.1(2) . . . . ?
N6 Ru C2 C1 -154.04(19) . . . . ?
N22 Ru C2 C1 33.4(3) . . . . ?
N11 Ru C2 C1 112.0(2) . . . . ?
C4 Ru C2 C1 -80.4(2) . . . . ?
C3 Ru C2 C1 -119.1(3) . . . . ?
C5 Ru C2 C1 -38.0(2) . . . . ?
C1 C2 C3 C4 -0.2(4) . . . . ?
Ru C2 C3 C4 -61.4(2) . . . . ?
C1 C2 C3 Ru 61.2(2) . . . . ?
N6 Ru C3 C2 153.9(2) . . . . ?
N22 Ru C3 C2 -106.7(4) . . . . ?
N11 Ru C3 C2 62.8(2) . . . . ?
C4 Ru C3 C2 -116.8(3) . . . . ?
C1 Ru C3 C2 -36.9(2) . . . . ?
C5 Ru C3 C2 -79.9(2) . . . . ?
N6 Ru C3 C4 -89.3(2) . . . . ?
N22 Ru C3 C4 10.1(5) . . . . ?
N11 Ru C3 C4 179.59(19) . . . . ?
C2 Ru C3 C4 116.8(3) . . . . ?
C1 Ru C3 C4 79.9(2) . . . . ?
C5 Ru C3 C4 36.9(2) . . . . ?
C2 C3 C4 C5 0.0(4) . . . . ?
Ru C3 C4 C5 -61.6(2) . . . . ?
C2 C3 C4 Ru 61.6(2) . . . . ?
N6 Ru C4 C5 -146.7(2) . . . . ?
N22 Ru C4 C5 -58.3(2) . . . . ?
N11 Ru C4 C5 117.2(4) . . . . ?
C2 Ru C4 C5 80.4(2) . . . . ?
C3 Ru C4 C5 118.2(3) . . . . ?
C1 Ru C4 C5 37.7(2) . . . . ?
N6 Ru C4 C3 95.1(2) . . . . ?
N22 Ru C4 C3 -176.52(19) . . . . ?
N11 Ru C4 C3 -1.0(5) . . . . ?
C2 Ru C4 C3 -37.7(2) . . . . ?
C1 Ru C4 C3 -80.5(2) . . . . ?
C5 Ru C4 C3 -118.2(3) . . . . ?
C3 C4 C5 C1 0.2(4) . . . . ?
Ru C4 C5 C1 -61.0(2) . . . . ?
C3 C4 C5 Ru 61.2(2) . . . . ?
C2 C1 C5 C4 -0.3(4) . . . . ?
Ru C1 C5 C4 61.1(2) . . . . ?
C2 C1 C5 Ru -61.4(2) . . . . ?
N6 Ru C5 C4 42.3(3) . . . . ?
N22 Ru C5 C4 134.5(2) . . . . ?
N11 Ru C5 C4 -144.8(2) . . . . ?
C2 Ru C5 C4 -80.4(2) . . . . ?
C3 Ru C5 C4 -38.0(2) . . . . ?
C1 Ru C5 C4 -118.1(3) . . . . ?
N6 Ru C5 C1 160.4(2) . . . . ?
N22 Ru C5 C1 -107.5(2) . . . . ?
N11 Ru C5 C1 -26.7(3) . . . . ?
C2 Ru C5 C1 37.7(2) . . . . ?
C4 Ru C5 C1 118.1(3) . . . . ?
C3 Ru C5 C1 80.1(2) . . . . ?
N6 Ru N11 C12 -96.9(3) . . . . ?
N22 Ru N11 C12 176.9(3) . . . . ?
C2 Ru N11 C12 33.7(3) . . . . ?
C4 Ru N11 C12 0.7(5) . . . . ?
C3 Ru N11 C12 -0.1(3) . . . . ?
C1 Ru N11 C12 71.5(3) . . . . ?
C5 Ru N11 C12 88.9(3) . . . . ?
N6 Ru N11 C16 81.2(2) . . . . ?
N22 Ru N11 C16 -5.0(2) . . . . ?
C2 Ru N11 C16 -148.2(3) . . . . ?
C4 Ru N11 C16 178.8(3) . . . . ?
C3 Ru N11 C16 178.1(2) . . . . ?
C1 Ru N11 C16 -110.4(3) . . . . ?
C5 Ru N11 C16 -93.0(3) . . . . ?
C16 N11 C12 C13 1.1(5) . . . . ?
Ru N11 C12 C13 179.2(3) . . . . ?
N11 C12 C13 C14 -1.1(6) . . . . ?
C12 C13 C14 C15 -0.3(6) . . . . ?
C13 C14 C15 C16 1.6(6) . . . . ?
C12 N11 C16 C15 0.2(5) . . . . ?
Ru N11 C16 C15 -178.0(3) . . . . ?
C12 N11 C16 C17 -178.8(3) . . . . ?
Ru N11 C16 C17 2.9(4) . . . . ?
C14 C15 C16 N11 -1.6(5) . . . . ?
C14 C15 C16 C17 177.4(3) . . . . ?
N11 C16 C17 N22 2.7(4) . . . . ?
C15 C16 C17 N22 -176.4(3) . . . . ?
N11 C16 C17 C18 -177.7(3) . . . . ?
C15 C16 C17 C18 3.3(6) . . . . ?
N22 C17 C18 C19 0.9(5) . . . . ?
C16 C17 C18 C19 -178.7(3) . . . . ?
C17 C18 C19 C20 0.1(6) . . . . ?
C18 C19 C20 C21 -0.6(6) . . . . ?
C19 C20 C21 N22 -0.1(6) . . . . ?
C20 C21 N22 C17 1.1(5) . . . . ?
C20 C21 N22 Ru -173.3(3) . . . . ?
C18 C17 N22 C21 -1.6(5) . . . . ?
C16 C17 N22 C21 178.1(3) . . . . ?
C18 C17 N22 Ru 173.2(3) . . . . ?
C16 C17 N22 Ru -7.1(4) . . . . ?
N6 Ru N22 C21 92.7(3) . . . . ?
N11 Ru N22 C21 -179.0(3) . . . . ?
C2 Ru N22 C21 -93.0(3) . . . . ?
C4 Ru N22 C21 -0.7(3) . . . . ?
C3 Ru N22 C21 -8.3(6) . . . . ?
C1 Ru N22 C21 -71.9(3) . . . . ?
C5 Ru N22 C21 -32.9(3) . . . . ?
N6 Ru N22 C17 -81.8(2) . . . . ?
N11 Ru N22 C17 6.6(2) . . . . ?
C2 Ru N22 C17 92.6(3) . . . . ?
C4 Ru N22 C17 -175.1(2) . . . . ?
C3 Ru N22 C17 177.3(4) . . . . ?
C1 Ru N22 C17 113.7(2) . . . . ?
C5 Ru N22 C17 152.7(2) . . . . ?
O32 S34 C35 F36 -58.0(3) . . . . ?
O33 S34 C35 F36 62.3(3) . . . . ?
O31 S34 C35 F36 -177.7(3) . . . . ?
O32 S34 C35 F37 -179.3(2) . . . . ?
O33 S34 C35 F37 -59.0(3) . . . . ?
O31 S34 C35 F37 61.0(3) . . . . ?
O32 S34 C35 F38 61.3(3) . . . . ?
O33 S34 C35 F38 -178.4(2) . . . . ?
O31 S34 C35 F38 -58.4(3) . . . . ?
