#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:52:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179494 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/91/4339185.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_4339185
loop_
_publ_author_name
'Wu, Adam'
'Masland, Joshua'
'Swartz, Rodney D.'
'Kaminsky, Werner'
'Mayer, James M.'
_publ_section_title
;
 Synthesis and characterization of ruthenium bis(beta-diketonato)
 pyridine-imidazole complexes for hydrogen atom transfer.
;
_journal_issue                   26
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11190
_journal_page_last               11201
_journal_paper_doi               10.1021/ic7015726
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         '2(C18 H21 N3 O4 Ru), C H2 Cl2, 2(C F3 O3 S)'
_chemical_formula_sum            'C39 H44 Cl2 F6 N6 O14 Ru2 S2'
_chemical_formula_weight         1271.96
_chemical_name_common            AW08
_chemical_name_systematic        AW08
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                112.531(3)
_cell_angle_beta                 95.165(3)
_cell_angle_gamma                94.249(3)
_cell_formula_units_Z            1
_cell_length_a                   7.6240(6)
_cell_length_b                   11.7300(7)
_cell_length_c                   14.9360(11)
_cell_measurement_reflns_used    745
_cell_measurement_temperature    130(2)
_cell_volume                     1220.17(15)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       KappaCCD
_computing_data_reduction        'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'maXus, Zortep'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω 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  0.0520
_diffrn_reflns_av_sigmaI/netI    0.0736
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7785
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.45
_diffrn_reflns_theta_min         2.70
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_T_max  0.9910
_exptl_absorpt_correction_T_min  0.7790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   HKL2000
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.594
_refine_diff_density_min         -0.712
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       0.0074(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         4479
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0757P)²+1.3610P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1485
_refine_ls_wR_factor_ref         0.1669
_reflns_number_gt                3246
_reflns_number_total             4479
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7015726-file004.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_database_code               4339185
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
Ru1 Ru 0.22953(7) 0.23969(5) 0.25139(3) 0.0568(2) Uani 1 1 d .
Cl1 Cl 0.4893(3) 0.4276(2) 0.06159(18) 0.1014(7) Uani 1 1 d .
S1 S 0.0240(3) 0.77669(19) 0.25842(14) 0.0852(6) Uani 1 1 d .
F1 F 0.3052(7) 0.6756(5) 0.2940(4) 0.1059(15) Uani 1 1 d .
F2 F 0.3032(7) 0.7206(5) 0.1690(3) 0.0975(14) Uani 1 1 d .
F3 F 0.3623(8) 0.8638(5) 0.3108(4) 0.124(2) Uani 1 1 d .
O3 O 0.4716(5) 0.3129(4) 0.2464(3) 0.0576(10) Uani 1 1 d .
O4 O 0.1790(5) 0.3967(4) 0.3572(3) 0.0575(10) Uani 1 1 d .
O1 O -0.0108(5) 0.1633(4) 0.2557(3) 0.0572(10) Uani 1 1 d .
O2 O 0.3359(5) 0.1841(4) 0.3534(3) 0.0574(10) Uani 1 1 d .
O5 O -0.0548(8) 0.6536(5) 0.1943(5) 0.0975(17) Uani 1 1 d .
O6 O 0.0037(11) 0.8169(6) 0.3594(4) 0.121(2) Uani 1 1 d .
O7 O 0.0064(7) 0.8689(4) 0.2164(3) 0.0793(14) Uani 1 1 d .
N1 N 0.2685(6) 0.0851(5) 0.1319(3) 0.0571(12) Uani 1 1 d .
N2 N 0.1272(6) 0.2843(5) 0.1407(4) 0.0573(12) Uani 1 1 d .
N3 N 0.0649(7) 0.2370(5) -0.0161(4) 0.0644(13) Uani 1 1 d .
H3N H 0.0553 0.1957 -0.0798 0.077 Uiso 1 1 calc R
C6 C 0.7349(8) 0.4502(6) 0.2958(5) 0.0672(16) Uani 1 1 d .
H1A H 0.7894 0.5249 0.3517 0.081 Uiso 1 1 calc R
H1B H 0.7347 0.4655 0.2358 0.081 Uiso 1 1 calc R
H1C H 0.8028 0.3807 0.2908 0.081 Uiso 1 1 calc R
C7 C 0.5461(8) 0.4185(6) 0.3100(4) 0.0574(14) Uani 1 1 d .
C8 C 0.4690(8) 0.5016(6) 0.3841(5) 0.0636(15) Uani 1 1 d .
H3 H 0.5436 0.5737 0.4278 0.076 Uiso 1 1 calc R
C9 C 0.2917(8) 0.4914(6) 0.4022(4) 0.0582(14) Uani 1 1 d .
C10 C 0.2264(9) 0.6008(6) 0.4766(5) 0.0690(17) Uani 1 1 d .
H5A H 0.3273 0.6553 0.5219 0.083 Uiso 1 1 calc R
H5B H 0.1456 0.5720 0.5131 0.083 Uiso 1 1 calc R
H5C H 0.1633 0.6467 0.4438 0.083 Uiso 1 1 calc R
C1 C -0.2466(8) 0.1006(6) 0.3224(5) 0.0655(16) Uani 1 1 d .
H6A H -0.2782 0.1124 0.3872 0.079 Uiso 1 1 calc R
H6B H -0.2707 0.0124 0.2791 0.079 Uiso 1 1 calc R
H6C H -0.3172 0.1492 0.2953 0.079 Uiso 1 1 calc R
C2 C -0.0558(8) 0.1429(5) 0.3306(4) 0.0574(14) Uani 1 1 d .
C3 C 0.0617(8) 0.1499(6) 0.4088(4) 0.0588(15) Uani 1 1 d .
H8 H 0.0121 0.1473 0.4642 0.071 Uiso 1 1 calc R
C4 C 0.2450(8) 0.1605(5) 0.4147(4) 0.0574(14) Uani 1 1 d .
C5 C 0.3515(9) 0.1388(7) 0.4953(5) 0.0683(17) Uani 1 1 d .
H10A H 0.2937 0.1696 0.5547 0.082 Uiso 1 1 calc R
H10B H 0.4711 0.1831 0.5081 0.082 Uiso 1 1 calc R
H10C H 0.3590 0.0496 0.4756 0.082 Uiso 1 1 calc R
C11 C 0.3426(8) -0.0154(6) 0.1318(5) 0.0581(14) Uani 1 1 d .
H11 H 0.3809 -0.0182 0.1931 0.070 Uiso 1 1 calc R
C12 C 0.3663(8) -0.1136(6) 0.0493(5) 0.0642(16) Uani 1 1 d .
H12 H 0.4224 -0.1814 0.0533 0.077 Uiso 1 1 calc R
C13 C 0.3061(9) -0.1119(6) -0.0411(5) 0.0664(17) Uani 1 1 d .
H13 H 0.3193 -0.1794 -0.0999 0.080 Uiso 1 1 calc R
C14 C 0.2268(8) -0.0106(6) -0.0445(4) 0.0622(15) Uani 1 1 d .
H14 H 0.1837 -0.0082 -0.1054 0.075 Uiso 1 1 calc R
C15 C 0.2119(8) 0.0872(6) 0.0428(4) 0.0580(14) Uani 1 1 d .
C16 C 0.1358(8) 0.1995(6) 0.0517(4) 0.0595(15) Uani 1 1 d .
C17 C 0.0106(9) 0.3501(6) 0.0309(5) 0.0677(16) Uani 1 1 d .
H17 H -0.0445 0.3994 0.0014 0.081 Uiso 1 1 calc R
C18 C 0.0502(8) 0.3791(6) 0.1282(5) 0.0635(15) Uani 1 1 d .
H18 H 0.0278 0.4533 0.1792 0.076 Uiso 1 1 calc R
C19 C 0.2571(12) 0.7596(7) 0.2585(6) 0.087(2) Uani 1 1 d .
C20 C 0.601(2) 0.5262(18) 0.0263(14) 0.099(5) Uani 0.50 1 d P
H20A H 0.7103 0.4896 0.0038 0.118 Uiso 0.50 1 calc PR
H20B H 0.6398 0.6026 0.0856 0.118 Uiso 0.50 1 calc PR
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'
Cl Cl 0.1484 0.1585 '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
O3 Ru1 O1 178.87(16) . .
O3 Ru1 O2 88.66(17) . .
O1 Ru1 O2 90.73(17) . .
O3 Ru1 O4 92.98(16) . .
O1 Ru1 O4 87.98(16) . .
O2 Ru1 O4 89.71(16) . .
O3 Ru1 N2 90.87(18) . .
O1 Ru1 N2 89.66(18) . .
O2 Ru1 N2 175.73(17) . .
O4 Ru1 N2 94.55(18) . .
O3 Ru1 N1 87.39(17) . .
O1 Ru1 N1 91.73(17) . .
O2 Ru1 N1 96.51(18) . .
O4 Ru1 N1 173.78(18) . .
N2 Ru1 N1 79.2(2) . .
C20 Cl1 C20 57.8(9) . 2_665
O6 S1 O5 117.7(4) . .
O6 S1 O7 115.8(3) . .
O5 S1 O7 113.7(3) . .
O6 S1 C19 102.5(4) . .
O5 S1 C19 101.5(4) . .
O7 S1 C19 102.1(4) . .
C7 O3 Ru1 123.1(4) . .
C9 O4 Ru1 124.7(4) . .
C2 O1 Ru1 123.6(4) . .
C4 O2 Ru1 123.1(4) . .
C11 N1 C15 117.2(5) . .
C11 N1 Ru1 127.7(4) . .
C15 N1 Ru1 115.1(4) . .
C16 N2 C18 106.7(5) . .
C16 N2 Ru1 114.5(4) . .
C18 N2 Ru1 138.8(4) . .
C16 N3 C17 107.9(5) . .
C16 N3 H3N 126.1 . .
C17 N3 H3N 126.1 . .
C7 C6 H1A 109.5 . .
C7 C6 H1B 109.5 . .
H1A C6 H1B 109.5 . .
C7 C6 H1C 109.5 . .
H1A C6 H1C 109.5 . .
H1B C6 H1C 109.5 . .
O3 C7 C8 126.4(6) . .
O3 C7 C6 113.7(5) . .
C8 C7 C6 119.9(6) . .
C7 C8 C9 127.0(6) . .
C7 C8 H3 116.5 . .
C9 C8 H3 116.5 . .
O4 C9 C8 124.8(6) . .
O4 C9 C10 116.5(5) . .
C8 C9 C10 118.7(6) . .
C9 C10 H5A 109.5 . .
C9 C10 H5B 109.5 . .
H5A C10 H5B 109.5 . .
C9 C10 H5C 109.5 . .
H5A C10 H5C 109.5 . .
H5B C10 H5C 109.5 . .
C2 C1 H6A 109.5 . .
C2 C1 H6B 109.5 . .
H6A C1 H6B 109.5 . .
C2 C1 H6C 109.5 . .
H6A C1 H6C 109.5 . .
H6B C1 H6C 109.5 . .
O1 C2 C3 124.5(6) . .
O1 C2 C1 114.1(5) . .
C3 C2 C1 121.2(6) . .
C2 C3 C4 126.4(6) . .
C2 C3 H8 116.8 . .
C4 C3 H8 116.8 . .
O2 C4 C3 125.1(6) . .
O2 C4 C5 115.6(5) . .
C3 C4 C5 119.3(6) . .
C4 C5 H10A 109.5 . .
C4 C5 H10B 109.5 . .
H10A C5 H10B 109.5 . .
C4 C5 H10C 109.5 . .
H10A C5 H10C 109.5 . .
H10B C5 H10C 109.5 . .
N1 C11 C12 124.3(6) . .
N1 C11 H11 117.9 . .
C12 C11 H11 117.9 . .
C11 C12 C13 118.3(6) . .
C11 C12 H12 120.8 . .
C13 C12 H12 120.8 . .
C14 C13 C12 119.4(6) . .
C14 C13 H13 120.3 . .
C12 C13 H13 120.3 . .
C13 C14 C15 118.7(6) . .
C13 C14 H14 120.7 . .
C15 C14 H14 120.7 . .
N1 C15 C14 122.1(6) . .
N1 C15 C16 112.5(5) . .
C14 C15 C16 125.4(6) . .
N2 C16 N3 110.0(6) . .
N2 C16 C15 118.7(6) . .
N3 C16 C15 131.3(6) . .
N3 C17 C18 106.7(6) . .
N3 C17 H17 126.6 . .
C18 C17 H17 126.6 . .
C17 C18 N2 108.7(6) . .
C17 C18 H18 125.7 . .
N2 C18 H18 125.7 . .
F3 C19 F2 106.2(7) . .
F3 C19 F1 105.9(6) . .
F2 C19 F1 105.5(6) . .
F3 C19 S1 113.9(6) . .
F2 C19 S1 111.9(5) . .
F1 C19 S1 112.9(6) . .
Cl1 C20 Cl1 122.2(9) . 2_665
Cl1 C20 H20A 106.8 . .
Cl1 C20 H20A 106.8 2_665 .
Cl1 C20 H20B 106.8 . .
Cl1 C20 H20B 106.8 2_665 .
H20A C20 H20B 106.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 O3 1.997(4) .
Ru1 O1 1.997(4) .
Ru1 O2 2.005(4) .
Ru1 O4 2.006(4) .
Ru1 N2 2.027(5) .
Ru1 N1 2.063(5) .
Cl1 C20 1.657(16) .
Cl1 C20 1.713(17) 2_665
S1 O6 1.425(6) .
S1 O5 1.439(6) .
S1 O7 1.452(5) .
S1 C19 1.803(9) .
F1 C19 1.344(8) .
F2 C19 1.327(8) .
F3 C19 1.326(9) .
O3 C7 1.287(7) .
O4 C9 1.267(7) .
O1 C2 1.299(7) .
O2 C4 1.294(7) .
N1 C11 1.343(7) .
N1 C15 1.371(8) .
N2 C16 1.331(7) .
N2 C18 1.361(8) .
N3 C16 1.337(8) .
N3 C17 1.358(8) .
N3 H3N 0.8800 .
C6 C7 1.514(8) .
C6 H1A 0.9800 .
C6 H1B 0.9800 .
C6 H1C 0.9800 .
C7 C8 1.377(8) .
C8 C9 1.407(9) .
C8 H3 0.9500 .
C9 C10 1.494(8) .
C10 H5A 0.9800 .
C10 H5B 0.9800 .
C10 H5C 0.9800 .
C1 C2 1.480(8) .
C1 H6A 0.9800 .
C1 H6B 0.9800 .
C1 H6C 0.9800 .
C2 C3 1.379(8) .
C3 C4 1.386(8) .
C3 H8 0.9500 .
C4 C5 1.504(9) .
C5 H10A 0.9800 .
C5 H10B 0.9800 .
C5 H10C 0.9800 .
C11 C12 1.364(8) .
C11 H11 0.9500 .
C12 C13 1.395(9) .
C12 H12 0.9500 .
C13 C14 1.388(9) .
C13 H13 0.9500 .
C14 C15 1.390(8) .
C14 H14 0.9500 .
C15 C16 1.443(9) .
C17 C18 1.360(9) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C20 Cl1 1.713(17) 2_665
C20 H20A 0.9900 .
C20 H20B 0.9900 .
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_4
O2 Ru1 O3 C7 -79.7(5) . .
O4 Ru1 O3 C7 9.9(5) . .
N2 Ru1 O3 C7 104.5(5) . .
N1 Ru1 O3 C7 -176.3(5) . .
O3 Ru1 O4 C9 -7.4(5) . .
O1 Ru1 O4 C9 172.0(5) . .
O2 Ru1 O4 C9 81.3(5) . .
N2 Ru1 O4 C9 -98.5(5) . .
O2 Ru1 O1 C2 23.9(4) . .
O4 Ru1 O1 C2 -65.7(4) . .
N2 Ru1 O1 C2 -160.3(4) . .
N1 Ru1 O1 C2 120.5(4) . .
O3 Ru1 O2 C4 157.5(4) . .
O1 Ru1 O2 C4 -23.4(4) . .
O4 Ru1 O2 C4 64.5(4) . .
N1 Ru1 O2 C4 -115.3(4) . .
O3 Ru1 N1 C11 88.6(5) . .
O1 Ru1 N1 C11 -90.7(5) . .
O2 Ru1 N1 C11 0.2(5) . .
N2 Ru1 N1 C11 180.0(5) . .
O3 Ru1 N1 C15 -91.1(4) . .
O1 Ru1 N1 C15 89.6(4) . .
O2 Ru1 N1 C15 -179.5(4) . .
N2 Ru1 N1 C15 0.3(4) . .
O3 Ru1 N2 C16 86.5(4) . .
O1 Ru1 N2 C16 -92.5(4) . .
O4 Ru1 N2 C16 179.6(4) . .
N1 Ru1 N2 C16 -0.6(4) . .
O3 Ru1 N2 C18 -92.5(6) . .
O1 Ru1 N2 C18 88.5(6) . .
O4 Ru1 N2 C18 0.5(6) . .
N1 Ru1 N2 C18 -179.7(6) . .
Ru1 O3 C7 C8 -6.4(9) . .
Ru1 O3 C7 C6 175.5(4) . .
O3 C7 C8 C9 -3.7(11) . .
C6 C7 C8 C9 174.2(6) . .
Ru1 O4 C9 C8 0.8(9) . .
Ru1 O4 C9 C10 178.2(4) . .
C7 C8 C9 O4 6.9(11) . .
C7 C8 C9 C10 -170.4(7) . .
Ru1 O1 C2 C3 -12.1(8) . .
Ru1 O1 C2 C1 172.5(4) . .
O1 C2 C3 C4 -10.5(10) . .
C1 C2 C3 C4 164.5(6) . .
Ru1 O2 C4 C3 11.3(8) . .
Ru1 O2 C4 C5 -171.1(4) . .
C2 C3 C4 O2 10.9(11) . .
C2 C3 C4 C5 -166.5(6) . .
C15 N1 C11 C12 0.8(9) . .
Ru1 N1 C11 C12 -178.9(5) . .
N1 C11 C12 C13 -1.7(9) . .
C11 C12 C13 C14 0.9(9) . .
C12 C13 C14 C15 0.8(9) . .
C11 N1 C15 C14 1.0(8) . .
Ru1 N1 C15 C14 -179.2(5) . .
C11 N1 C15 C16 -179.6(5) . .
Ru1 N1 C15 C16 0.1(6) . .
C13 C14 C15 N1 -1.8(9) . .
C13 C14 C15 C16 178.9(6) . .
C18 N2 C16 N3 -0.8(7) . .
Ru1 N2 C16 N3 179.8(4) . .
C18 N2 C16 C15 -179.7(5) . .
Ru1 N2 C16 C15 0.9(7) . .
C17 N3 C16 N2 0.6(7) . .
C17 N3 C16 C15 179.3(6) . .
N1 C15 C16 N2 -0.7(8) . .
C14 C15 C16 N2 178.6(6) . .
N1 C15 C16 N3 -179.4(6) . .
C14 C15 C16 N3 0.0(11) . .
C16 N3 C17 C18 -0.2(7) . .
N3 C17 C18 N2 -0.3(7) . .
C16 N2 C18 C17 0.7(7) . .
Ru1 N2 C18 C17 179.8(5) . .
O6 S1 C19 F3 -60.3(7) . .
O5 S1 C19 F3 177.6(6) . .
O7 S1 C19 F3 60.0(6) . .
O6 S1 C19 F2 179.3(6) . .
O5 S1 C19 F2 57.2(6) . .
O7 S1 C19 F2 -60.4(6) . .
O6 S1 C19 F1 60.5(6) . .
O5 S1 C19 F1 -61.5(6) . .
O7 S1 C19 F1 -179.2(5) . .
C20 Cl1 C20 Cl1 0.001(1) 2_665 2_665
