#------------------------------------------------------------------------------
#$Date: 2021-12-09 11:07:17 +0100 (Thu 09 de Dec de 2021) $
#$Revision: 271297 $
#$URL: svn://www.crystallography.net/cod/cif/1/56/56/1565622.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_1565622
loop_
_publ_author_name
'Liu, Kang'
'Zhang, Junhua'
'Huo, Shuaicong'
'Dong, Qing'
'Hao, Zhiqiang'
'Han, Zhangang'
'Lu, Guo-Liang'
'Lin, Jin'
_publ_section_title
;
 Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl
 complexes bearing salicylaldiminato ligands
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119224
_journal_paper_doi               10.1016/j.ica.2019.119224
_journal_volume                  500
_journal_year                    2020
_chemical_formula_sum            'C47 H58 Cl2 N2 O4 Ru'
_chemical_formula_weight         886.92
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.7680(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.7490(9)
_cell_length_b                   28.936(2)
_cell_length_c                   14.9381(12)
_cell_measurement_reflns_used    4358
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.10
_cell_measurement_theta_min      2.453
_cell_volume                     4645.8(6)
_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      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0558
_diffrn_reflns_av_sigmaI/netI    0.0762
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11578
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    0.494
_exptl_absorpt_correction_T_max  0.9340
_exptl_absorpt_correction_T_min  0.8659
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.988
_refine_diff_density_min         -0.578
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         4103
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0898
_refine_ls_R_factor_gt           0.0645
_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)+(0.1105P)²+6.9750P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1792
_refine_ls_wR_factor_ref         0.1942
_reflns_number_gt                3084
_reflns_number_total             4103
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cif-1b.cif
_cod_data_source_block           180719b
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

data item '_exptl_crystal_density_meas' value 'none' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_cell_volume        4645.9(7)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1565622
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Ru1 Ru 0.5000 0.504993(19) 0.7500 0.0281(2) Uani 1 2 d S . .
Cl1 Cl 0.1295(3) 0.74084(13) 0.2332(3) 0.1324(12) Uani 1 1 d . . .
N1 N 0.6168(5) 0.51078(12) 0.8576(3) 0.0303(11) Uani 1 1 d . . .
O1 O 0.3947(3) 0.55644(13) 0.8035(3) 0.0401(10) Uani 1 1 d . . .
O2 O 0.6574(5) 0.4354(2) 0.6543(4) 0.093(2) Uani 1 1 d . . .
C1 C 0.6242(5) 0.54608(19) 0.9092(4) 0.0344(13) Uani 1 1 d . . .
H1 H 0.6926 0.5473 0.9479 0.041 Uiso 1 1 calc R . .
C2 C 0.5380(5) 0.58398(18) 0.9138(4) 0.0316(12) Uani 1 1 d . . .
C3 C 0.4251(5) 0.58613(18) 0.8652(4) 0.0328(13) Uani 1 1 d . . .
C4 C 0.3415(5) 0.62316(19) 0.8842(4) 0.0364(13) Uani 1 1 d . . .
C5 C 0.3801(5) 0.65661(19) 0.9438(4) 0.0369(14) Uani 1 1 d . . .
H5 H 0.3266 0.6812 0.9543 0.044 Uiso 1 1 calc R . .
C6 C 0.4948(5) 0.6562(2) 0.9899(4) 0.0388(14) Uani 1 1 d . . .
C7 C 0.5707(5) 0.61914(18) 0.9755(4) 0.0347(13) Uani 1 1 d . . .
H7 H 0.6456 0.6170 1.0071 0.042 Uiso 1 1 calc R . .
C8 C 0.2135(6) 0.6246(2) 0.8386(5) 0.0473(16) Uani 1 1 d . . .
C9 C 0.2262(7) 0.6310(3) 0.7380(5) 0.062(2) Uani 1 1 d . . .
H9A H 0.2730 0.6586 0.7264 0.093 Uiso 1 1 calc R . .
H9B H 0.1451 0.6336 0.7109 0.093 Uiso 1 1 calc R . .
H9C H 0.2687 0.6048 0.7132 0.093 Uiso 1 1 calc R . .
C10 C 0.1427(6) 0.5801(3) 0.8581(6) 0.064(2) Uani 1 1 d . . .
H10A H 0.1898 0.5541 0.8375 0.096 Uiso 1 1 calc R . .
H10B H 0.0634 0.5808 0.8277 0.096 Uiso 1 1 calc R . .
H10C H 0.1302 0.5774 0.9214 0.096 Uiso 1 1 calc R . .
C11 C 0.1342(6) 0.6648(3) 0.8738(6) 0.069(2) Uani 1 1 d . . .
H11A H 0.1255 0.6619 0.9374 0.104 Uiso 1 1 calc R . .
H11B H 0.0535 0.6640 0.8455 0.104 Uiso 1 1 calc R . .
H11C H 0.1742 0.6936 0.8603 0.104 Uiso 1 1 calc R . .
C12 C 0.5294(6) 0.6968(2) 1.0526(4) 0.0471(16) Uani 1 1 d . . .
C13 C 0.4308(8) 0.7010(3) 1.1252(5) 0.081(3) Uani 1 1 d . . .
H13A H 0.4229 0.6720 1.1558 0.121 Uiso 1 1 calc R . .
H13B H 0.3523 0.7092 1.0981 0.121 Uiso 1 1 calc R . .
H13C H 0.4552 0.7245 1.1673 0.121 Uiso 1 1 calc R . .
C14 C 0.5354(9) 0.7415(2) 1.0007(6) 0.079(3) Uani 1 1 d . . .
H14A H 0.5610 0.7660 1.0400 0.118 Uiso 1 1 calc R . .
H14B H 0.4547 0.7484 0.9758 0.118 Uiso 1 1 calc R . .
H14C H 0.5942 0.7384 0.9532 0.118 Uiso 1 1 calc R . .
C15 C 0.6530(8) 0.6895(3) 1.1002(7) 0.092(3) Uani 1 1 d . . .
H15A H 0.7191 0.6915 1.0578 0.138 Uiso 1 1 calc R . .
H15B H 0.6541 0.6595 1.1277 0.138 Uiso 1 1 calc R . .
H15C H 0.6642 0.7127 1.1454 0.138 Uiso 1 1 calc R . .
C16 C 0.7279(5) 0.47957(18) 0.8661(4) 0.0295(12) Uani 1 1 d . . .
C17 C 0.7104(6) 0.4332(2) 0.8806(4) 0.0446(15) Uani 1 1 d . . .
H17 H 0.6301 0.4217 0.8866 0.054 Uiso 1 1 calc R . .
C18 C 0.8087(6) 0.4040(2) 0.8862(5) 0.0540(18) Uani 1 1 d . . .
H18 H 0.7938 0.3727 0.8952 0.065 Uiso 1 1 calc R . .
C19 C 0.9294(6) 0.4189(2) 0.8791(5) 0.0557(18) Uani 1 1 d . . .
C20 C 0.9485(6) 0.4656(2) 0.8655(5) 0.060(2) Uani 1 1 d . . .
H20 H 1.0292 0.4769 0.8608 0.073 Uiso 1 1 calc R . .
C21 C 0.8475(6) 0.4962(2) 0.8587(5) 0.0552(18) Uani 1 1 d . . .
H21 H 0.8612 0.5275 0.8494 0.066 Uiso 1 1 calc R . .
C22 C 1.0394(7) 0.3863(3) 0.8858(7) 0.091(3) Uani 1 1 d . . .
H22A H 1.1031 0.3963 0.8457 0.136 Uiso 1 1 calc R . .
H22B H 1.0132 0.3556 0.8699 0.136 Uiso 1 1 calc R . .
H22C H 1.0716 0.3863 0.9461 0.136 Uiso 1 1 calc R . .
C23 C 0.5956(6) 0.4605(2) 0.6920(4) 0.0470(16) Uani 1 1 d . . .
C24 C 0.0000 0.7733(5) 0.2500 0.095(4) Uani 1 2 d S . .
H24A H 0.0139 0.7931 0.3016 0.114 Uiso 0.50 1 calc PR . .
H24B H -0.0139 0.7931 0.1984 0.114 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'
Cl Cl 0.1484 0.1585 '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
C23 Ru1 C23 92.8(4) 2_656 .
C23 Ru1 N1 91.6(2) 2_656 .
C23 Ru1 N1 94.9(2) . .
C23 Ru1 N1 94.9(2) 2_656 2_656
C23 Ru1 N1 91.6(2) . 2_656
N1 Ru1 N1 170.55(19) . 2_656
C23 Ru1 O1 175.3(2) 2_656 2_656
C23 Ru1 O1 90.6(2) . 2_656
N1 Ru1 O1 84.80(16) . 2_656
N1 Ru1 O1 88.30(16) 2_656 2_656
C23 Ru1 O1 90.6(2) 2_656 .
C23 Ru1 O1 175.3(2) . .
N1 Ru1 O1 88.30(16) . .
N1 Ru1 O1 84.80(16) 2_656 .
O1 Ru1 O1 86.2(2) 2_656 .
C1 N1 C16 112.7(4) . .
C1 N1 Ru1 125.1(4) . .
C16 N1 Ru1 120.0(3) . .
C3 O1 Ru1 128.7(3) . .
N1 C1 C2 127.0(5) . .
N1 C1 H1 116.5 . .
C2 C1 H1 116.5 . .
C3 C2 C7 120.6(5) . .
C3 C2 C1 124.1(5) . .
C7 C2 C1 115.1(5) . .
O1 C3 C2 122.9(5) . .
O1 C3 C4 119.0(5) . .
C2 C3 C4 118.1(5) . .
C5 C4 C3 118.1(5) . .
C5 C4 C8 122.1(5) . .
C3 C4 C8 119.8(5) . .
C4 C5 C6 124.6(5) . .
C4 C5 H5 117.7 . .
C6 C5 H5 117.7 . .
C7 C6 C5 116.8(5) . .
C7 C6 C12 123.5(5) . .
C5 C6 C12 119.6(5) . .
C6 C7 C2 121.6(5) . .
C6 C7 H7 119.2 . .
C2 C7 H7 119.2 . .
C9 C8 C10 110.1(6) . .
C9 C8 C4 110.6(5) . .
C10 C8 C4 109.9(5) . .
C9 C8 C11 107.6(6) . .
C10 C8 C11 107.0(6) . .
C4 C8 C11 111.6(5) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C8 C10 H10A 109.5 . .
C8 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C14 C12 C15 108.6(7) . .
C14 C12 C13 109.3(6) . .
C15 C12 C13 106.9(7) . .
C14 C12 C6 110.5(5) . .
C15 C12 C6 112.5(5) . .
C13 C12 C6 109.1(6) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 C21 118.9(5) . .
C17 C16 N1 119.4(5) . .
C21 C16 N1 121.7(5) . .
C18 C17 C16 120.8(6) . .
C18 C17 H17 119.6 . .
C16 C17 H17 119.6 . .
C17 C18 C19 122.4(6) . .
C17 C18 H18 118.8 . .
C19 C18 H18 118.8 . .
C18 C19 C20 117.5(6) . .
C18 C19 C22 122.4(6) . .
C20 C19 C22 120.1(6) . .
C19 C20 C21 120.7(6) . .
C19 C20 H20 119.7 . .
C21 C20 H20 119.7 . .
C16 C21 C20 119.8(6) . .
C16 C21 H21 120.1 . .
C20 C21 H21 120.1 . .
C19 C22 H22A 109.5 . .
C19 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C19 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O2 C23 Ru1 176.1(7) . .
Cl1 C24 Cl1 112.9(9) 2 .
Cl1 C24 H24A 109.0 2 .
Cl1 C24 H24A 109.0 . .
Cl1 C24 H24B 109.0 2 .
Cl1 C24 H24B 109.0 . .
H24A C24 H24B 107.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C23 1.868(7) 2_656
Ru1 C23 1.868(7) .
Ru1 N1 2.033(4) .
Ru1 N1 2.033(4) 2_656
Ru1 O1 2.039(4) 2_656
Ru1 O1 2.039(4) .
Cl1 C24 1.701(9) .
N1 C1 1.282(7) .
N1 C16 1.501(7) .
O1 C3 1.298(6) .
O2 C23 1.137(8) .
C1 C2 1.438(7) .
C1 H1 0.9300 .
C2 C3 1.407(7) .
C2 C7 1.414(7) .
C3 C4 1.430(7) .
C4 C5 1.376(8) .
C4 C8 1.527(8) .
C5 C6 1.404(8) .
C5 H5 0.9300 .
C6 C7 1.367(8) .
C6 C12 1.544(8) .
C7 H7 0.9300 .
C8 C9 1.522(10) .
C8 C10 1.526(10) .
C8 C11 1.539(9) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 C14 1.510(10) .
C12 C15 1.513(10) .
C12 C13 1.532(10) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 C17 1.372(8) .
C16 C21 1.379(9) .
C17 C18 1.356(8) .
C17 H17 0.9300 .
C18 C19 1.373(9) .
C18 H18 0.9300 .
C19 C20 1.382(9) .
C19 C22 1.515(9) .
C20 C21 1.403(9) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C24 Cl1 1.701(9) 2
C24 H24A 0.9700 .
C24 H24B 0.9700 .
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
C23 Ru1 N1 C1 -110.3(5) 2_656 . . .
C23 Ru1 N1 C1 156.7(5) . . . .
N1 Ru1 N1 C1 23.3(5) 2_656 . . .
O1 Ru1 N1 C1 66.6(5) 2_656 . . .
O1 Ru1 N1 C1 -19.8(5) . . . .
C23 Ru1 N1 C16 88.3(4) 2_656 . . .
C23 Ru1 N1 C16 -4.7(4) . . . .
N1 Ru1 N1 C16 -138.1(4) 2_656 . . .
O1 Ru1 N1 C16 -94.8(4) 2_656 . . .
O1 Ru1 N1 C16 178.8(4) . . . .
C23 Ru1 O1 C3 109.1(5) 2_656 . . .
C23 Ru1 O1 C3 -115(3) . . . .
N1 Ru1 O1 C3 17.5(5) . . . .
N1 Ru1 O1 C3 -156.0(5) 2_656 . . .
O1 Ru1 O1 C3 -67.4(4) 2_656 . . .
C16 N1 C1 C2 175.9(5) . . . .
Ru1 N1 C1 C2 13.3(9) . . . .
N1 C1 C2 C3 5.0(9) . . . .
N1 C1 C2 C7 -178.4(6) . . . .
Ru1 O1 C3 C2 -7.2(8) . . . .
Ru1 O1 C3 C4 171.9(4) . . . .
C7 C2 C3 O1 175.2(5) . . . .
C1 C2 C3 O1 -8.3(9) . . . .
C7 C2 C3 C4 -3.9(8) . . . .
C1 C2 C3 C4 172.6(5) . . . .
O1 C3 C4 C5 -174.1(5) . . . .
C2 C3 C4 C5 5.0(8) . . . .
O1 C3 C4 C8 5.9(8) . . . .
C2 C3 C4 C8 -175.0(5) . . . .
C3 C4 C5 C6 -2.3(9) . . . .
C8 C4 C5 C6 177.7(6) . . . .
C4 C5 C6 C7 -1.8(9) . . . .
C4 C5 C6 C12 177.8(6) . . . .
C5 C6 C7 C2 3.1(8) . . . .
C12 C6 C7 C2 -176.6(6) . . . .
C3 C2 C7 C6 -0.2(9) . . . .
C1 C2 C7 C6 -177.0(5) . . . .
C5 C4 C8 C9 115.1(7) . . . .
C3 C4 C8 C9 -64.9(7) . . . .
C5 C4 C8 C10 -123.2(6) . . . .
C3 C4 C8 C10 56.8(8) . . . .
C5 C4 C8 C11 -4.6(9) . . . .
C3 C4 C8 C11 175.4(6) . . . .
C7 C6 C12 C14 118.2(7) . . . .
C5 C6 C12 C14 -61.4(8) . . . .
C7 C6 C12 C15 -3.3(10) . . . .
C5 C6 C12 C15 177.1(7) . . . .
C7 C6 C12 C13 -121.7(7) . . . .
C5 C6 C12 C13 58.7(8) . . . .
C1 N1 C16 C17 128.6(6) . . . .
Ru1 N1 C16 C17 -67.8(6) . . . .
C1 N1 C16 C21 -52.1(7) . . . .
Ru1 N1 C16 C21 111.5(6) . . . .
C21 C16 C17 C18 -1.1(10) . . . .
N1 C16 C17 C18 178.3(6) . . . .
C16 C17 C18 C19 0.9(11) . . . .
C17 C18 C19 C20 -0.2(12) . . . .
C17 C18 C19 C22 179.7(8) . . . .
C18 C19 C20 C21 -0.4(12) . . . .
C22 C19 C20 C21 179.7(8) . . . .
C17 C16 C21 C20 0.5(11) . . . .
N1 C16 C21 C20 -178.8(6) . . . .
C19 C20 C21 C16 0.2(12) . . . .
C23 Ru1 C23 O2 178(100) 2_656 . . .
N1 Ru1 C23 O2 -90(8) . . . .
N1 Ru1 C23 O2 83(8) 2_656 . . .
O1 Ru1 C23 O2 -5(8) 2_656 . . .
O1 Ru1 C23 O2 42(10) . . . .
