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#$Date: 2021-11-17 10:35:05 +0200 (Wed, 17 Nov 2021) $
#$Revision: 270715 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/52/1565280.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_1565280
loop_
_publ_author_name
'Chrzanowska, Marta'
'Katafias, Anna'
'Kozakiewicz, Anna'
'van Eldik, Rudi'
_publ_section_title
;
 Steric and electronic tuning of the reactivity of [RuII(terpy)(N^N)Cl]Cl
 complexes
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119449
_journal_paper_doi               10.1016/j.ica.2020.119449
_journal_volume                  504
_journal_year                    2020
_chemical_formula_moiety         'C21 H27 Cl2 N5 O4 Ru'
_chemical_formula_sum            'C21 H27 Cl2 N5 O4 Ru'
_chemical_formula_weight         585.44
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 108.360(14)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.0064(17)
_cell_length_b                   11.0364(10)
_cell_length_c                   16.083(2)
_cell_measurement_reflns_used    4959
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.5970
_cell_measurement_theta_min      2.4950
_cell_volume                     2359.6(5)
_computing_cell_refinement       'Oxford Diffraction CrysAlis'
_computing_data_collection       'Oxford Diffraction CrysAlis'
_computing_data_reduction        'Oxford Diffraction CrysAlis'
_computing_publication_material  'CIFTAB (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELX-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.2564
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.914
_diffrn_measurement_device_type  'Oxford Sapphire CCD'
_diffrn_measurement_method       θ/2θ
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_av_unetI/netI     0.0533
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.914
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15833
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.914
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.392
_diffrn_reflns_theta_min         2.277
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.929
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.826
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'Oxford Diffraction CrysAlis'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.305
_exptl_crystal_size_mid          0.107
_exptl_crystal_size_min          0.067
_refine_diff_density_max         0.496
_refine_diff_density_min         -0.367
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         5403
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0383P)²+1.6823P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0874
_refine_ls_wR_factor_ref         0.1000
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3810
_reflns_number_total             5403
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ICA-2020-504-119449.cif
_cod_data_source_block           tmen_a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1565280
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.765
_shelx_estimated_absorpt_t_max   0.940
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.78054(2) 0.29158(2) 0.80199(2) 0.03257(10) Uani 1 1 d . . . . .
Cl1 Cl 0.93901(7) 0.28510(9) 0.91852(6) 0.0445(2) Uani 1 1 d . . . . .
N1 N 0.7414(2) 0.1294(3) 0.85551(19) 0.0387(7) Uani 1 1 d . . . . .
C2 C 0.6912(3) 0.1111(4) 0.9129(3) 0.0514(10) Uani 1 1 d . . . . .
H2A H 0.6661 0.1783 0.9341 0.062 Uiso 1 1 calc R U . . .
C3 C 0.6749(4) -0.0019(4) 0.9422(3) 0.0598(12) Uani 1 1 d . . . . .
H3A H 0.6389 -0.0097 0.9816 0.072 Uiso 1 1 calc R U . . .
C4 C 0.7114(4) -0.1018(4) 0.9134(3) 0.0675(14) Uani 1 1 d . . . . .
H4A H 0.7024 -0.1785 0.9337 0.081 Uiso 1 1 calc R U . . .
C5 C 0.7615(4) -0.0867(4) 0.8541(3) 0.0580(12) Uani 1 1 d . . . . .
H5A H 0.7867 -0.1540 0.8331 0.070 Uiso 1 1 calc R U . . .
C6 C 0.7752(3) 0.0279(3) 0.8247(2) 0.0419(9) Uani 1 1 d . . . . .
C7 C 0.8247(3) 0.0487(3) 0.7591(2) 0.0394(9) Uani 1 1 d . . . . .
C8 C 0.8623(3) -0.0393(4) 0.7160(3) 0.0529(11) Uani 1 1 d . . . . .
H8A H 0.8547 -0.1209 0.7269 0.063 Uiso 1 1 calc R U . . .
C9 C 0.9101(3) -0.0066(4) 0.6579(3) 0.0550(12) Uani 1 1 d . . . . .
H9A H 0.9356 -0.0654 0.6292 0.066 Uiso 1 1 calc R U . . .
C10 C 0.9205(3) 0.1149(4) 0.6419(3) 0.0505(10) Uani 1 1 d . . . . .
H10A H 0.9545 0.1383 0.6032 0.061 Uiso 1 1 calc R U . . .
C11 C 0.8806(3) 0.2010(3) 0.6831(2) 0.0384(8) Uani 1 1 d . . . . .
N12 N 0.8315(2) 0.1677(3) 0.73977(19) 0.0352(7) Uani 1 1 d . . . . .
C13 C 0.8853(3) 0.3329(3) 0.6727(2) 0.0389(9) Uani 1 1 d . . . . .
C14 C 0.9262(3) 0.3850(4) 0.6133(3) 0.0542(11) Uani 1 1 d . . . . .
H14A H 0.9539 0.3362 0.5797 0.065 Uiso 1 1 calc R U . . .
C15 C 0.9258(3) 0.5094(4) 0.6038(3) 0.0609(12) Uani 1 1 d . . . . .
H15A H 0.9540 0.5454 0.5647 0.073 Uiso 1 1 calc R U . . .
C16 C 0.8833(3) 0.5778(4) 0.6527(3) 0.0591(12) Uani 1 1 d . . . . .
H16A H 0.8817 0.6617 0.6476 0.071 Uiso 1 1 calc R U . . .
C17 C 0.8426(3) 0.5214(4) 0.7098(3) 0.0504(10) Uani 1 1 d . . . . .
H17A H 0.8131 0.5699 0.7422 0.060 Uiso 1 1 calc R U . . .
N18 N 0.8424(2) 0.4009(3) 0.72223(19) 0.0388(7) Uani 1 1 d . . . . .
N19 N 0.6308(2) 0.3072(3) 0.7083(2) 0.0476(8) Uani 1 1 d . . . . .
C20 C 0.5786(4) 0.1908(4) 0.6843(4) 0.0799(16) Uani 1 1 d . . . . .
H20A H 0.5799 0.1477 0.7365 0.120 Uiso 1 1 calc R U . . .
H20B H 0.5102 0.2050 0.6493 0.120 Uiso 1 1 calc R U . . .
H20C H 0.6118 0.1435 0.6515 0.120 Uiso 1 1 calc R U . . .
C21 C 0.6265(3) 0.3692(5) 0.6256(3) 0.0683(14) Uani 1 1 d . . . . .
H21A H 0.6600 0.4461 0.6386 0.102 Uiso 1 1 calc R U . . .
H21B H 0.6592 0.3202 0.5933 0.102 Uiso 1 1 calc R U . . .
H21C H 0.5575 0.3817 0.5912 0.102 Uiso 1 1 calc R U . . .
C22 C 0.5740(3) 0.3838(6) 0.7549(3) 0.0801(16) Uani 1 1 d . . . . .
H22A H 0.5145 0.4169 0.7120 0.096 Uiso 1 1 calc R U . . .
H22B H 0.5521 0.3328 0.7946 0.096 Uiso 1 1 calc R U . . .
C23 C 0.6355(4) 0.4845(5) 0.8050(3) 0.0746(15) Uani 1 1 d . . . . .
H23A H 0.6558 0.5374 0.7655 0.090 Uiso 1 1 calc R U . . .
H23B H 0.5958 0.5316 0.8330 0.090 Uiso 1 1 calc R U . . .
N24 N 0.7254(3) 0.4369(3) 0.8721(2) 0.0483(8) Uani 1 1 d . . . . .
C25 C 0.8015(4) 0.5363(4) 0.9082(3) 0.0761(15) Uani 1 1 d . . . . .
H25A H 0.8593 0.5031 0.9516 0.114 Uiso 1 1 calc R U . . .
H25B H 0.8216 0.5709 0.8615 0.114 Uiso 1 1 calc R U . . .
H25C H 0.7719 0.5980 0.9343 0.114 Uiso 1 1 calc R U . . .
C26 C 0.6968(4) 0.4011(4) 0.9515(3) 0.0715(14) Uani 1 1 d . . . . .
H26A H 0.7548 0.3698 0.9957 0.107 Uiso 1 1 calc R U . . .
H26B H 0.6718 0.4707 0.9738 0.107 Uiso 1 1 calc R U . . .
H26C H 0.6456 0.3398 0.9355 0.107 Uiso 1 1 calc R U . . .
O1 O 0.5346(4) 0.6967(5) 0.5849(4) 0.173(3) Uani 1 1 d . . . . .
O2 O 0.5839(4) 0.8922(4) 0.6267(4) 0.1356(19) Uani 1 1 d . . . . .
O3 O 0.6829(5) 0.7346(5) 0.6817(4) 0.169(3) Uani 1 1 d . . . . .
O4 O 0.6579(6) 0.7923(5) 0.5444(4) 0.195(3) Uani 1 1 d . . . . .
Cl2 Cl 0.61211(9) 0.77819(10) 0.60708(8) 0.0559(3) 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'
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
N12 Ru1 N1 78.55(12) . .
N12 Ru1 N18 78.75(12) . .
N1 Ru1 N18 157.30(11) . .
N12 Ru1 N19 97.41(13) . .
N1 Ru1 N19 91.84(12) . .
N18 Ru1 N19 91.39(12) . .
N12 Ru1 N24 178.30(12) . .
N1 Ru1 N24 103.03(12) . .
N18 Ru1 N24 99.66(12) . .
N19 Ru1 N24 83.19(13) . .
N12 Ru1 Cl1 88.96(9) . .
N1 Ru1 Cl1 87.25(8) . .
N18 Ru1 Cl1 92.02(9) . .
N19 Ru1 Cl1 173.26(9) . .
N24 Ru1 Cl1 90.51(10) . .
C2 N1 C6 116.3(3) . .
C2 N1 Ru1 131.5(3) . .
C6 N1 Ru1 112.3(2) . .
N1 C2 C3 123.4(4) . .
N1 C2 H2A 118.3 . .
C3 C2 H2A 118.3 . .
C4 C3 C2 120.0(4) . .
C4 C3 H3A 120.0 . .
C2 C3 H3A 120.0 . .
C3 C4 C5 118.2(4) . .
C3 C4 H4A 120.9 . .
C5 C4 H4A 120.9 . .
C4 C5 C6 120.6(4) . .
C4 C5 H5A 119.7 . .
C6 C5 H5A 119.7 . .
N1 C6 C5 121.5(4) . .
N1 C6 C7 115.7(3) . .
C5 C6 C7 122.8(4) . .
N12 C7 C8 119.8(4) . .
N12 C7 C6 113.7(3) . .
C8 C7 C6 126.5(4) . .
C9 C8 C7 120.2(4) . .
C9 C8 H8A 119.9 . .
C7 C8 H8A 119.9 . .
C8 C9 C10 119.4(4) . .
C8 C9 H9A 120.3 . .
C10 C9 H9A 120.3 . .
C11 C10 C9 119.8(4) . .
C11 C10 H10A 120.1 . .
C9 C10 H10A 120.1 . .
N12 C11 C10 120.5(4) . .
N12 C11 C13 113.3(3) . .
C10 C11 C13 126.2(3) . .
C11 N12 C7 120.2(3) . .
C11 N12 Ru1 119.9(2) . .
C7 N12 Ru1 119.7(2) . .
N18 C13 C14 121.9(4) . .
N18 C13 C11 115.8(3) . .
C14 C13 C11 122.2(4) . .
C15 C14 C13 120.1(4) . .
C15 C14 H14A 120.0 . .
C13 C14 H14A 120.0 . .
C16 C15 C14 118.5(4) . .
C16 C15 H15A 120.8 . .
C14 C15 H15A 120.8 . .
C15 C16 C17 119.1(4) . .
C15 C16 H16A 120.4 . .
C17 C16 H16A 120.4 . .
N18 C17 C16 124.6(4) . .
N18 C17 H17A 117.7 . .
C16 C17 H17A 117.7 . .
C17 N18 C13 115.9(3) . .
C17 N18 Ru1 131.9(3) . .
C13 N18 Ru1 112.1(2) . .
C20 N19 C21 107.0(4) . .
C20 N19 C22 108.8(4) . .
C21 N19 C22 107.9(4) . .
C20 N19 Ru1 113.9(3) . .
C21 N19 Ru1 114.7(2) . .
C22 N19 Ru1 104.2(3) . .
N19 C20 H20A 109.5 . .
N19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
N19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N19 C21 H21A 109.5 . .
N19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
N19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C23 C22 N19 112.5(4) . .
C23 C22 H22A 109.1 . .
N19 C22 H22A 109.1 . .
C23 C22 H22B 109.1 . .
N19 C22 H22B 109.1 . .
H22A C22 H22B 107.8 . .
N24 C23 C22 110.4(4) . .
N24 C23 H23A 109.6 . .
C22 C23 H23A 109.6 . .
N24 C23 H23B 109.6 . .
C22 C23 H23B 109.6 . .
H23A C23 H23B 108.1 . .
C23 N24 C26 108.6(4) . .
C23 N24 C25 111.0(4) . .
C26 N24 C25 102.0(3) . .
C23 N24 Ru1 103.8(3) . .
C26 N24 Ru1 117.8(3) . .
C25 N24 Ru1 113.6(3) . .
N24 C25 H25A 109.5 . .
N24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
N24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
N24 C26 H26A 109.5 . .
N24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
N24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
O4 Cl2 O1 113.7(4) . .
O4 Cl2 O3 107.8(5) . .
O1 Cl2 O3 107.0(4) . .
O4 Cl2 O2 107.4(3) . .
O1 Cl2 O2 113.4(4) . .
O3 Cl2 O2 107.3(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N12 1.958(3) .
Ru1 N1 2.131(3) .
Ru1 N18 2.134(3) .
Ru1 N19 2.170(3) .
Ru1 N24 2.233(3) .
Ru1 Cl1 2.4132(11) .
N1 C2 1.341(5) .
N1 C6 1.368(5) .
C2 C3 1.377(6) .
C2 H2A 0.9300 .
C3 C4 1.356(6) .
C3 H3A 0.9300 .
C4 C5 1.361(6) .
C4 H4A 0.9300 .
C5 C6 1.385(5) .
C5 H5A 0.9300 .
C6 C7 1.452(5) .
C7 N12 1.360(4) .
C7 C8 1.389(5) .
C8 C9 1.358(6) .
C8 H8A 0.9300 .
C9 C10 1.381(6) .
C9 H9A 0.9300 .
C10 C11 1.375(5) .
C10 H10A 0.9300 .
C11 N12 1.354(4) .
C11 C13 1.469(5) .
C13 N18 1.364(4) .
C13 C14 1.385(5) .
C14 C15 1.381(6) .
C14 H14A 0.9300 .
C15 C16 1.355(6) .
C15 H15A 0.9300 .
C16 C17 1.374(5) .
C16 H16A 0.9300 .
C17 N18 1.344(5) .
C17 H17A 0.9300 .
N19 C20 1.468(5) .
N19 C21 1.481(5) .
N19 C22 1.512(6) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C23 1.480(7) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 N24 1.473(5) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
N24 C26 1.507(5) .
N24 C25 1.512(6) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
O1 Cl2 1.368(5) .
O2 Cl2 1.384(4) .
O3 Cl2 1.380(5) .
O4 Cl2 1.364(5) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C14 H14A Cl1 0.93 2.87 3.705(4) 150.5 4_565
C17 H17A O3 0.93 2.54 3.180(7) 126.1 .
C20 H20A N1 0.96 2.47 3.047(6) 118.6 .
C23 H23A O3 0.97 2.65 3.582(8) 161.2 .
C25 H25A Cl1 0.96 2.77 3.349(5) 119.3 .
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
C6 N1 C2 C3 1.3(6) . . . .
Ru1 N1 C2 C3 -178.3(3) . . . .
N1 C2 C3 C4 0.7(7) . . . .
C2 C3 C4 C5 -1.6(7) . . . .
C3 C4 C5 C6 0.5(7) . . . .
C2 N1 C6 C5 -2.5(6) . . . .
Ru1 N1 C6 C5 177.2(3) . . . .
C2 N1 C6 C7 176.8(3) . . . .
Ru1 N1 C6 C7 -3.5(4) . . . .
C4 C5 C6 N1 1.6(7) . . . .
C4 C5 C6 C7 -177.6(4) . . . .
N1 C6 C7 N12 1.3(5) . . . .
C5 C6 C7 N12 -179.4(4) . . . .
N1 C6 C7 C8 -177.8(4) . . . .
C5 C6 C7 C8 1.5(7) . . . .
N12 C7 C8 C9 3.2(6) . . . .
C6 C7 C8 C9 -177.8(4) . . . .
C7 C8 C9 C10 -0.3(7) . . . .
C8 C9 C10 C11 -1.5(7) . . . .
C9 C10 C11 N12 0.3(6) . . . .
C9 C10 C11 C13 -179.8(4) . . . .
C10 C11 N12 C7 2.6(5) . . . .
C13 C11 N12 C7 -177.2(3) . . . .
C10 C11 N12 Ru1 177.2(3) . . . .
C13 C11 N12 Ru1 -2.6(4) . . . .
C8 C7 N12 C11 -4.4(5) . . . .
C6 C7 N12 C11 176.5(3) . . . .
C8 C7 N12 Ru1 -179.0(3) . . . .
C6 C7 N12 Ru1 1.9(4) . . . .
N12 C11 C13 N18 1.4(5) . . . .
C10 C11 C13 N18 -178.4(4) . . . .
N12 C11 C13 C14 -175.5(3) . . . .
C10 C11 C13 C14 4.7(6) . . . .
N18 C13 C14 C15 1.1(6) . . . .
C11 C13 C14 C15 177.8(4) . . . .
C13 C14 C15 C16 -1.0(7) . . . .
C14 C15 C16 C17 0.2(7) . . . .
C15 C16 C17 N18 0.8(7) . . . .
C16 C17 N18 C13 -0.8(6) . . . .
C16 C17 N18 Ru1 -177.4(3) . . . .
C14 C13 N18 C17 -0.2(5) . . . .
C11 C13 N18 C17 -177.1(3) . . . .
C14 C13 N18 Ru1 177.1(3) . . . .
C11 C13 N18 Ru1 0.2(4) . . . .
C20 N19 C22 C23 162.2(4) . . . .
C21 N19 C22 C23 -81.9(5) . . . .
Ru1 N19 C22 C23 40.4(5) . . . .
N19 C22 C23 N24 -60.1(5) . . . .
C22 C23 N24 C26 -82.8(5) . . . .
C22 C23 N24 C25 165.7(4) . . . .
C22 C23 N24 Ru1 43.3(4) . . . .
