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#$Date: 2021-07-02 10:42:03 +0300 (Fri, 02 Jul 2021) $
#$Revision: 266894 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/38/1563874.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_1563874
loop_
_publ_author_name
'Djukić, Maja'
'Jeremić, Marija S.'
'Jelić, Ratomir'
'Klisurić, Olivera'
'Kojić, Vesna'
'Jakimov, Dimitar'
'Djurdjević, Predrag'
'Matović, Zoran D.'
_publ_section_title
;
 Further insights into ruthenium(II) piano-stool complexes with N-alkyl
 imidazoles
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              359
_journal_page_last               370
_journal_paper_doi               10.1016/j.ica.2018.08.031
_journal_volume                  483
_journal_year                    2018
_chemical_formula_sum            'C22 H36 Cl2 N6 O2 Ru'
_chemical_formula_weight         588.54
_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
_cell_angle_alpha                90
_cell_angle_beta                 98.3299(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.61484(15)
_cell_length_b                   17.3362(3)
_cell_length_c                   18.2674(3)
_cell_measurement_reflns_used    6329
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8500
_cell_measurement_theta_min      3.6470
_cell_volume                     2699.43(8)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution
'Sheldrick GM (2015) Acta Crystallogr A 71:3--8'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.3280
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_av_unetI/netI     0.0319
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            10260
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         3.024
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.808
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.885
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_description       prism
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.2519
_exptl_crystal_size_mid          0.1848
_exptl_crystal_size_min          0.1542
_refine_diff_density_max         0.336
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         4740
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0293
_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)+(0.0332P)²+0.6787P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0695
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4155
_reflns_number_total             4740
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ICA-2018-483-359.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1563874
_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.
;
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 0.56272(2) 0.10108(2) 0.28852(2) 0.02740(8) Uani 1 1 d . . . . .
Cl2 Cl 0.67565(9) 0.11301(5) 0.54685(4) 0.0560(2) Uani 1 1 d . . . . .
Cl1 Cl 0.19361(10) 0.16761(5) 0.02130(4) 0.0630(2) Uani 1 1 d . . . . .
N5 N 0.8355(3) -0.06085(13) 0.42711(12) 0.0402(5) Uani 1 1 d . . . . .
N6 N 0.9463(3) 0.25511(14) 0.28414(16) 0.0520(7) Uani 1 1 d . . . . .
N2 N 0.7255(2) 0.02583(12) 0.34882(11) 0.0327(5) Uani 1 1 d . . . . .
O1W O 0.8672(4) 0.2213(2) 0.0774(2) 0.1136(12) Uani 1 1 d D . . . .
N4 N 0.6836(3) 0.03814(18) 0.08022(12) 0.0534(7) Uani 1 1 d . . . . .
N3 N 0.7545(2) 0.17783(12) 0.30079(11) 0.0349(5) Uani 1 1 d . . . . .
N1 N 0.6438(2) 0.05386(13) 0.19451(11) 0.0325(5) Uani 1 1 d . . . . .
O2W O 0.4656(4) 0.2657(2) 0.11891(18) 0.1061(11) Uani 1 1 d D . . . .
C5 C 0.8840(3) 0.02066(18) 0.34356(16) 0.0413(7) Uani 1 1 d . . . . .
C4 C 0.7025(3) -0.02484(16) 0.39997(15) 0.0375(6) Uani 1 1 d . . . . .
C13 C 0.3436(3) 0.13301(19) 0.22120(16) 0.0409(7) Uani 1 1 d . . . . .
C11 C 0.8532(4) -0.11941(19) 0.48490(19) 0.0623(9) Uani 1 1 d . . . . .
H11A H 0.7574 -0.1236 0.5057 0.093 Uiso 1 1 calc R U . . .
H11B H 0.9371 -0.1051 0.5229 0.093 Uiso 1 1 calc R U . . .
H11C H 0.8768 -0.1682 0.4642 0.093 Uiso 1 1 calc R U . . .
C16 C 0.4094(3) 0.10956(17) 0.37361(15) 0.0382(7) Uani 1 1 d . . . . .
C17 C 0.4248(3) 0.18375(17) 0.34648(14) 0.0398(7) Uani 1 1 d . . . . .
C6 C 0.9511(3) -0.03203(18) 0.39085(16) 0.0435(7) Uani 1 1 d . . . . .
C15 C 0.3586(3) 0.04700(19) 0.32574(15) 0.0367(6) Uani 1 1 d . . . . .
C19 C 0.2769(3) -0.0082(2) 0.19596(17) 0.0515(8) Uani 1 1 d . . . . .
C14 C 0.3244(3) 0.05726(17) 0.24931(14) 0.0373(6) Uani 1 1 d . . . . .
C2 C 0.6861(3) -0.02123(18) 0.18395(16) 0.0402(7) Uani 1 1 d . . . . .
C18 C 0.3931(3) 0.19409(19) 0.26782(16) 0.0429(7) Uani 1 1 d . . . . .
C3 C 0.7105(4) -0.0312(2) 0.11376(18) 0.0531(8) Uani 1 1 d . . . . .
C22 C 0.4762(4) 0.25037(19) 0.39683(18) 0.0596(9) Uani 1 1 d . . . . .
H22A H 0.3862 0.2735 0.4134 0.089 Uiso 1 1 calc R U . . .
H22B H 0.5284 0.2880 0.3705 0.089 Uiso 1 1 calc R U . . .
H22C H 0.5469 0.2322 0.4388 0.089 Uiso 1 1 calc R U . . .
C20 C 0.1033(3) 0.0022(3) 0.16254(19) 0.0771(12) Uani 1 1 d . . . . .
H20A H 0.0387 -0.0015 0.2010 0.116 Uiso 1 1 calc R U . . .
H20B H 0.0739 -0.0373 0.1263 0.116 Uiso 1 1 calc R U . . .
H20C H 0.0892 0.0519 0.1394 0.116 Uiso 1 1 calc R U . . .
C8 C 0.8357(4) 0.19920(19) 0.36903(17) 0.0484(7) Uani 1 1 d . . . . .
C12 C 1.0475(4) 0.3038(2) 0.2452(3) 0.0813(12) Uani 1 1 d . . . . .
H12A H 1.0411 0.2869 0.1948 0.122 Uiso 1 1 calc R U . . .
H12B H 1.1540 0.2999 0.2691 0.122 Uiso 1 1 calc R U . . .
H12C H 1.0135 0.3565 0.2462 0.122 Uiso 1 1 calc R U . . .
C9 C 0.9532(4) 0.2469(2) 0.3587(2) 0.0578(9) Uani 1 1 d . . . . .
C7 C 0.8254(3) 0.21321(17) 0.25130(18) 0.0411(7) Uani 1 1 d . . . . .
C21 C 0.3103(4) -0.0878(2) 0.2285(2) 0.0715(11) Uani 1 1 d . . . . .
H21A H 0.4196 -0.0918 0.2481 0.107 Uiso 1 1 calc R U . . .
H21B H 0.2841 -0.1259 0.1906 0.107 Uiso 1 1 calc R U . . .
H21C H 0.2483 -0.0961 0.2674 0.107 Uiso 1 1 calc R U . . .
C1 C 0.6425(4) 0.0877(2) 0.12992(16) 0.0445(7) Uani 1 1 d . . . . .
C10 C 0.7022(5) 0.0567(3) 0.00321(18) 0.0976(15) Uani 1 1 d . . . . .
H10A H 0.6143 0.0868 -0.0190 0.146 Uiso 1 1 calc R U . . .
H10B H 0.7074 0.0098 -0.0243 0.146 Uiso 1 1 calc R U . . .
H10C H 0.7971 0.0856 0.0027 0.146 Uiso 1 1 calc R U . . .
H4 H 0.606(3) -0.0327(15) 0.4172(13) 0.036(7) Uiso 1 1 d . . . . .
H5 H 0.931(3) 0.0495(15) 0.3113(14) 0.033(7) Uiso 1 1 d . . . . .
H1 H 0.617(3) 0.1355(17) 0.1216(15) 0.038(8) Uiso 1 1 d . . . . .
H2 H 0.699(3) -0.0527(16) 0.2222(15) 0.039(8) Uiso 1 1 d . . . . .
H19 H 0.329(3) -0.0011(16) 0.1571(15) 0.042(8) Uiso 1 1 d . . . . .
H13 H 0.327(3) 0.1381(16) 0.1701(15) 0.040(7) Uiso 1 1 d . . . . .
H15 H 0.355(3) 0.0002(14) 0.3433(13) 0.023(7) Uiso 1 1 d . . . . .
H16 H 0.442(3) 0.1005(16) 0.4205(17) 0.045(8) Uiso 1 1 d . . . . .
H18 H 0.417(3) 0.2389(17) 0.2505(16) 0.044(8) Uiso 1 1 d . . . . .
H6 H 1.055(3) -0.0476(17) 0.4023(15) 0.049(8) Uiso 1 1 d . . . . .
H3 H 0.747(3) -0.0729(19) 0.0913(17) 0.056(9) Uiso 1 1 d . . . . .
H9 H 1.033(4) 0.273(2) 0.3948(18) 0.071(10) Uiso 1 1 d . . . . .
H8 H 0.802(3) 0.1793(17) 0.4121(16) 0.047(8) Uiso 1 1 d . . . . .
H7 H 0.803(3) 0.2079(17) 0.2029(16) 0.048(9) Uiso 1 1 d . . . . .
H1W H 0.513(3) 0.3011(15) 0.0937(16) 0.058 Uiso 1 1 d D U . . .
H2W H 0.389(3) 0.3018(17) 0.1263(19) 0.058 Uiso 1 1 d D U . . .
H3W H 0.951(3) 0.2100(18) 0.0534(15) 0.058 Uiso 1 1 d D U . . .
H4W H 0.850(4) 0.2727(11) 0.0702(18) 0.058 Uiso 1 1 d D U . . .
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
N2 Ru1 N3 83.29(8) . .
N2 Ru1 N1 84.92(8) . .
N3 Ru1 N1 89.12(8) . .
N2 Ru1 C13 155.94(11) . .
N3 Ru1 C13 120.22(10) . .
N1 Ru1 C13 90.07(9) . .
N2 Ru1 C18 158.62(10) . .
N3 Ru1 C18 92.71(11) . .
N1 Ru1 C18 116.10(10) . .
C13 Ru1 C18 37.25(11) . .
N2 Ru1 C16 95.45(9) . .
N3 Ru1 C16 115.27(10) . .
N1 Ru1 C16 155.52(10) . .
C13 Ru1 C16 79.64(10) . .
C18 Ru1 C16 67.25(11) . .
N2 Ru1 C15 94.39(9) . .
N3 Ru1 C15 153.00(9) . .
N1 Ru1 C15 117.56(10) . .
C13 Ru1 C15 67.21(11) . .
C18 Ru1 C15 79.70(11) . .
C16 Ru1 C15 37.96(10) . .
N2 Ru1 C14 118.28(9) . .
N3 Ru1 C14 158.27(9) . .
N1 Ru1 C14 90.25(8) . .
C13 Ru1 C14 38.06(11) . .
C18 Ru1 C14 68.19(11) . .
C16 Ru1 C14 67.96(10) . .
C15 Ru1 C14 37.03(9) . .
N2 Ru1 C17 120.75(9) . .
N3 Ru1 C17 90.42(9) . .
N1 Ru1 C17 154.09(9) . .
C13 Ru1 C17 67.96(10) . .
C18 Ru1 C17 38.05(10) . .
C16 Ru1 C17 36.76(10) . .
C15 Ru1 C17 67.61(11) . .
C14 Ru1 C17 80.82(10) . .
C4 N5 C6 107.2(2) . .
C4 N5 C11 126.1(2) . .
C6 N5 C11 126.8(2) . .
C7 N6 C9 108.1(3) . .
C7 N6 C12 124.9(3) . .
C9 N6 C12 126.9(3) . .
C4 N2 C5 104.9(2) . .
C4 N2 Ru1 128.78(17) . .
C5 N2 Ru1 126.31(18) . .
H3W O1W H4W 105(3) . .
C1 N4 C3 108.0(3) . .
C1 N4 C10 125.8(3) . .
C3 N4 C10 126.2(3) . .
C7 N3 C8 105.6(2) . .
C7 N3 Ru1 131.06(19) . .
C8 N3 Ru1 123.31(19) . .
C1 N1 C2 105.3(2) . .
C1 N1 Ru1 126.6(2) . .
C2 N1 Ru1 127.44(18) . .
H1W O2W H2W 90(3) . .
C6 C5 N2 109.8(3) . .
C6 C5 H5 127.3(16) . .
N2 C5 H5 122.9(16) . .
N2 C4 N5 111.4(2) . .
N2 C4 H4 124.5(16) . .
N5 C4 H4 124.0(16) . .
C18 C13 C14 121.5(3) . .
C18 C13 Ru1 71.46(16) . .
C14 C13 Ru1 72.43(15) . .
C18 C13 H13 122.4(18) . .
C14 C13 H13 116.0(18) . .
Ru1 C13 H13 126.3(16) . .
N5 C11 H11A 109.5 . .
N5 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
N5 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C17 C16 C15 121.5(3) . .
C17 C16 Ru1 73.17(15) . .
C15 C16 Ru1 71.06(14) . .
C17 C16 H16 118.7(19) . .
C15 C16 H16 119.4(19) . .
Ru1 C16 H16 123.1(18) . .
C16 C17 C18 117.3(3) . .
C16 C17 C22 121.8(3) . .
C18 C17 C22 120.9(3) . .
C16 C17 Ru1 70.06(15) . .
C18 C17 Ru1 68.97(15) . .
C22 C17 Ru1 130.97(19) . .
C5 C6 N5 106.7(2) . .
C5 C6 H6 131.3(18) . .
N5 C6 H6 121.9(18) . .
C14 C15 C16 121.3(3) . .
C14 C15 Ru1 72.35(15) . .
C16 C15 Ru1 70.98(15) . .
C14 C15 H15 118.2(16) . .
C16 C15 H15 120.4(16) . .
Ru1 C15 H15 125.6(16) . .
C21 C19 C14 114.4(3) . .
C21 C19 C20 112.4(3) . .
C14 C19 C20 108.9(3) . .
C21 C19 H19 110.3(18) . .
C14 C19 H19 106.6(18) . .
C20 C19 H19 103.7(17) . .
C15 C14 C13 117.3(3) . .
C15 C14 C19 123.1(3) . .
C13 C14 C19 119.5(3) . .
C15 C14 Ru1 70.62(15) . .
C13 C14 Ru1 69.51(15) . .
C19 C14 Ru1 128.24(18) . .
C3 C2 N1 109.8(3) . .
C3 C2 H2 131.1(18) . .
N1 C2 H2 118.9(18) . .
C13 C18 C17 121.1(3) . .
C13 C18 Ru1 71.29(16) . .
C17 C18 Ru1 72.97(15) . .
C13 C18 H18 121.6(19) . .
C17 C18 H18 117(2) . .
Ru1 C18 H18 122.5(18) . .
C2 C3 N4 106.1(3) . .
C2 C3 H3 130(2) . .
N4 C3 H3 123(2) . .
C17 C22 H22A 109.5 . .
C17 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C17 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C9 C8 N3 109.3(3) . .
C9 C8 H8 132.5(17) . .
N3 C8 H8 118.2(17) . .
N6 C12 H12A 109.5 . .
N6 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
N6 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C8 C9 N6 106.3(3) . .
C8 C9 H9 130.6(19) . .
N6 C9 H9 123.1(19) . .
N3 C7 N6 110.7(3) . .
N3 C7 H7 125.7(19) . .
N6 C7 H7 123.4(18) . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N1 C1 N4 110.7(3) . .
N1 C1 H1 123.6(18) . .
N4 C1 H1 125.6(18) . .
N4 C10 H10A 109.5 . .
N4 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
N4 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_distance
_geom_bond_site_symmetry_2
Ru1 N2 2.106(2) .
Ru1 N3 2.108(2) .
Ru1 N1 2.1108(19) .
Ru1 C13 2.170(3) .
Ru1 C18 2.172(3) .
Ru1 C16 2.185(2) .
Ru1 C15 2.187(3) .
Ru1 C14 2.209(2) .
Ru1 C17 2.225(2) .
N5 C4 1.336(3) .
N5 C6 1.368(4) .
N5 C11 1.457(4) .
N6 C7 1.338(4) .
N6 C9 1.362(4) .
N6 C12 1.470(4) .
N2 C4 1.318(3) .
N2 C5 1.386(3) .
O1W H3W 0.916(17) .
O1W H4W 0.908(18) .
N4 C1 1.334(4) .
N4 C3 1.354(4) .
N4 C10 1.475(4) .
N3 C7 1.314(3) .
N3 C8 1.388(3) .
N1 C1 1.316(3) .
N1 C2 1.373(4) .
O2W H1W 0.900(17) .
O2W H2W 0.932(17) .
C5 C6 1.330(4) .
C5 H5 0.91(3) .
C4 H4 0.94(2) .
C13 C18 1.387(4) .
C13 C14 1.428(4) .
C13 H13 0.93(3) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C16 C17 1.391(4) .
C16 C15 1.422(4) .
C16 H16 0.88(3) .
C17 C18 1.435(4) .
C17 C22 1.503(4) .
C6 H6 0.93(3) .
C15 C14 1.396(4) .
C15 H15 0.88(2) .
C19 C21 1.513(5) .
C19 C14 1.513(4) .
C19 C20 1.542(4) .
C19 H19 0.90(3) .
C2 C3 1.340(4) .
C2 H2 0.88(3) .
C18 H18 0.87(3) .
C3 H3 0.91(3) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C8 C9 1.342(5) .
C8 H8 0.94(3) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C9 H9 0.99(3) .
C7 H7 0.88(3) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C1 H1 0.86(3) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
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
C4 N2 C5 C6 0.0(3) . . . .
Ru1 N2 C5 C6 178.79(19) . . . .
C5 N2 C4 N5 0.3(3) . . . .
Ru1 N2 C4 N5 -178.47(17) . . . .
C6 N5 C4 N2 -0.5(3) . . . .
C11 N5 C4 N2 179.1(3) . . . .
C15 C16 C17 C18 -2.4(4) . . . .
Ru1 C16 C17 C18 51.9(2) . . . .
C15 C16 C17 C22 179.1(2) . . . .
Ru1 C16 C17 C22 -126.6(2) . . . .
C15 C16 C17 Ru1 -54.3(2) . . . .
N2 C5 C6 N5 -0.3(3) . . . .
C4 N5 C6 C5 0.4(3) . . . .
C11 N5 C6 C5 -179.2(3) . . . .
C17 C16 C15 C14 1.1(4) . . . .
Ru1 C16 C15 C14 -54.2(2) . . . .
C17 C16 C15 Ru1 55.3(2) . . . .
C16 C15 C14 C13 0.4(4) . . . .
Ru1 C15 C14 C13 -53.2(2) . . . .
C16 C15 C14 C19 177.2(2) . . . .
Ru1 C15 C14 C19 123.6(2) . . . .
C16 C15 C14 Ru1 53.6(2) . . . .
C18 C13 C14 C15 -0.4(4) . . . .
Ru1 C13 C14 C15 53.8(2) . . . .
C18 C13 C14 C19 -177.4(2) . . . .
Ru1 C13 C14 C19 -123.2(2) . . . .
C18 C13 C14 Ru1 -54.2(2) . . . .
C21 C19 C14 C15 -15.5(4) . . . .
C20 C19 C14 C15 111.2(3) . . . .
C21 C19 C14 C13 161.3(3) . . . .
C20 C19 C14 C13 -72.1(3) . . . .
C21 C19 C14 Ru1 75.1(3) . . . .
C20 C19 C14 Ru1 -158.3(2) . . . .
C1 N1 C2 C3 0.4(3) . . . .
Ru1 N1 C2 C3 171.51(19) . . . .
C14 C13 C18 C17 -1.0(4) . . . .
Ru1 C13 C18 C17 -55.6(2) . . . .
C14 C13 C18 Ru1 54.6(2) . . . .
C16 C17 C18 C13 2.3(4) . . . .
C22 C17 C18 C13 -179.1(2) . . . .
Ru1 C17 C18 C13 54.8(2) . . . .
C16 C17 C18 Ru1 -52.5(2) . . . .
C22 C17 C18 Ru1 126.1(2) . . . .
N1 C2 C3 N4 0.1(3) . . . .
C1 N4 C3 C2 -0.6(3) . . . .
C10 N4 C3 C2 177.2(3) . . . .
C7 N3 C8 C9 0.0(3) . . . .
Ru1 N3 C8 C9 178.5(2) . . . .
N3 C8 C9 N6 -0.3(4) . . . .
C7 N6 C9 C8 0.5(4) . . . .
C12 N6 C9 C8 177.9(3) . . . .
C8 N3 C7 N6 0.3(3) . . . .
Ru1 N3 C7 N6 -178.02(17) . . . .
C9 N6 C7 N3 -0.5(3) . . . .
C12 N6 C7 N3 -177.9(3) . . . .
C2 N1 C1 N4 -0.8(3) . . . .
Ru1 N1 C1 N4 -172.02(18) . . . .
C3 N4 C1 N1 0.9(3) . . . .
C10 N4 C1 N1 -176.9(3) . . . .
