#------------------------------------------------------------------------------
#$Date: 2021-12-13 14:48:26 +0200 (Mon, 13 Dec 2021) $
#$Revision: 271366 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/57/1565713.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_1565713
loop_
_publ_author_name
'Deka, Rajesh'
'Junk, Peter C.'
'Turner, David R.'
'Deacon, Glen B.'
'Singh, Harkesh B.'
_publ_section_title
;
 An insight into the redox activity of Ru and Os complexes of the
 N,N′-bis(2-pyridyl)benzene-1,2-diamine ligand: Structural,
 electrochemical and electronic structure analysis by density functional
 theory calculations
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119193
_journal_paper_doi               10.1016/j.ica.2019.119193
_journal_volume                  499
_journal_year                    2020
_chemical_formula_moiety         'C37 H27 Cl N7 Ru'
_chemical_formula_sum            'C37 H27 Cl N7 Ru'
_chemical_formula_weight         706.17
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 97.376(7)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.4893(9)
_cell_length_b                   29.335(2)
_cell_length_c                   24.2604(17)
_cell_measurement_reflns_used    3948
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.6310
_cell_measurement_theta_min      2.1840
_cell_volume                     8109.0(10)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku Saturn724+'
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):
  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω   -110.00  39.00   0.50    8.00    --  -20.00   0.00-180.00  298
  2  ω    -94.00  59.00   0.50    8.00    --  -20.00   0.00 -36.00  306
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1119
_diffrn_reflns_av_unetI/netI     0.1321
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            22929
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.626
_exptl_absorpt_coefficient_mu    0.483
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.01524
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.157
_exptl_crystal_description       prism
_exptl_crystal_F_000             2872
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.707
_refine_diff_density_min         -1.457
_refine_diff_density_rms         0.159
_refine_ls_extinction_coef       0.00053(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         6979
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.1463
_refine_ls_R_factor_gt           0.0919
_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)+(0.1563P)²+2.0681P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2408
_refine_ls_wR_factor_ref         0.2968
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4036
_reflns_number_total             6979
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            1.cif
_cod_data_source_block           2
_cod_original_cell_volume        8109.1(11)
_cod_database_code               1565713
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C8) \\sim Ueq, Uanis(C9) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.005
3.a Aromatic/amide H refined with riding coordinates:
 C25(H25), C29(H29), C30(H30), C28(H28), C17(H17), C23(H23), C31(H31),
 C33(H33), C18(H18), C34(H34), C20(H20), C37(H37), C35(H35), C36(H36), C11(H11),
  C2(H2), C10(H10), C3(H3), C5(H5), C19(H19), C4(H4), C16(H16), C15(H15),
 C13(H13), C8(H8), C14(H14), C9(H9)
;
loop_
_space_group_symop_operation_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_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 0.51982(6) 0.35521(2) 0.49245(3) 0.0433(3) Uani 1 1 d . . . . .
Cl1 Cl 0.32324(18) 0.38066(7) 0.49908(10) 0.0463(6) Uani 1 1 d . . . . .
N6 N 0.5545(6) 0.35730(19) 0.5744(3) 0.0423(18) Uani 1 1 d . . . . .
N7 N 0.4617(6) 0.2911(2) 0.5134(3) 0.0449(18) Uani 1 1 d . . . . .
N5 N 0.5800(6) 0.4210(2) 0.5042(3) 0.0464(19) Uani 1 1 d . . . . .
N2 N 0.4965(7) 0.3502(2) 0.4092(3) 0.0477(19) Uani 1 1 d . . . . .
N1 N 0.6776(6) 0.3348(2) 0.4768(3) 0.050(2) Uani 1 1 d . . . . .
C26 C 0.5326(7) 0.3197(3) 0.6052(4) 0.038(2) Uani 1 1 d . . . . .
C24 C 0.6174(7) 0.3565(3) 0.6882(4) 0.043(2) Uani 1 1 d . . . . .
C27 C 0.4736(7) 0.2826(3) 0.5700(4) 0.042(2) Uani 1 1 d . . . . .
C25 C 0.5652(7) 0.3189(3) 0.6631(4) 0.045(2) Uani 1 1 d . . . . .
H25 H 0.551460 0.293197 0.683793 0.054 Uiso 1 1 calc R . . . .
C29 C 0.3850(7) 0.2104(3) 0.5542(4) 0.048(2) Uani 1 1 d . . . . .
H29 H 0.357804 0.183183 0.567483 0.058 Uiso 1 1 calc R . . . .
C30 C 0.3746(7) 0.2180(3) 0.4979(4) 0.044(2) Uani 1 1 d . . . . .
H30 H 0.341411 0.195986 0.473064 0.053 Uiso 1 1 calc R . . . .
C22 C 0.5992(7) 0.3955(3) 0.5986(4) 0.042(2) Uani 1 1 d . . . . .
N3 N 0.3312(8) 0.3179(3) 0.3583(4) 0.072(3) Uani 1 1 d . . . . .
C28 C 0.4351(8) 0.2424(3) 0.5911(4) 0.052(2) Uani 1 1 d . . . . .
H28 H 0.442813 0.237198 0.629217 0.063 Uiso 1 1 calc R . . . .
C17 C 0.5961(8) 0.4519(3) 0.4651(5) 0.055(3) Uani 1 1 d . . . . .
H17 H 0.574288 0.444837 0.427871 0.066 Uiso 1 1 calc R . . . .
C23 C 0.6305(7) 0.3955(3) 0.6557(4) 0.049(2) Uani 1 1 d . . . . .
H23 H 0.661090 0.421939 0.672993 0.058 Uiso 1 1 calc R . . . .
C31 C 0.4136(7) 0.2582(3) 0.4788(4) 0.048(2) Uani 1 1 d . . . . .
H31 H 0.406881 0.263129 0.440678 0.058 Uiso 1 1 calc R . . . .
C32 C 0.6578(8) 0.3577(3) 0.7479(5) 0.055(3) Uani 1 1 d . . . . .
C33 C 0.7047(7) 0.3166(3) 0.7746(4) 0.051(2) Uani 1 1 d . . . . .
H33 H 0.708761 0.289851 0.754317 0.061 Uiso 1 1 calc R . . . .
C18 C 0.6465(8) 0.4956(3) 0.4800(6) 0.059(3) Uani 1 1 d . . . . .
H18 H 0.654635 0.516950 0.452374 0.071 Uiso 1 1 calc R . . . .
C1 C 0.6939(8) 0.3291(3) 0.4247(4) 0.055(3) Uani 1 1 d . . . . .
C6 C 0.5922(10) 0.3360(3) 0.3854(5) 0.066(3) Uani 1 1 d . . . . .
N4 N 0.7781(9) 0.2962(3) 0.5562(4) 0.081(3) Uani 1 1 d . . . . .
C34 C 0.7428(9) 0.3174(4) 0.8300(6) 0.075(3) Uani 1 1 d . . . . .
H34 H 0.775152 0.291169 0.847205 0.090 Uiso 1 1 calc R . . . .
C20 C 0.6664(8) 0.4755(3) 0.5740(5) 0.056(3) Uani 1 1 d . . . . .
H20 H 0.688566 0.482770 0.611193 0.067 Uiso 1 1 calc R . . . .
C12 C 0.7754(9) 0.3321(3) 0.5227(5) 0.059(3) Uani 1 1 d . . . . .
C7 C 0.3899(9) 0.3566(3) 0.3752(4) 0.056(3) Uani 1 1 d . . . . .
C21 C 0.6157(7) 0.4317(3) 0.5600(4) 0.051(2) Uani 1 1 d . . . . .
C37 C 0.6524(8) 0.3966(3) 0.7793(4) 0.059(3) Uani 1 1 d . . . . .
H37 H 0.624410 0.423624 0.762611 0.071 Uiso 1 1 calc R . . . .
C35 C 0.7350(9) 0.3557(4) 0.8611(5) 0.069(3) Uani 1 1 d . . . . .
H35 H 0.760746 0.354854 0.898988 0.083 Uiso 1 1 calc R . . . .
C36 C 0.6903(9) 0.3950(4) 0.8378(5) 0.066(3) Uani 1 1 d . . . . .
H36 H 0.684277 0.420704 0.859650 0.079 Uiso 1 1 calc R . . . .
C11 C 0.2287(11) 0.3222(5) 0.3251(5) 0.084(4) Uani 1 1 d . . . . .
H11 H 0.190180 0.295884 0.311345 0.100 Uiso 1 1 calc R . . . .
C2 C 0.8008(9) 0.3158(4) 0.4021(5) 0.078(4) Uani 1 1 d . . . . .
H2 H 0.869785 0.310895 0.425965 0.093 Uiso 1 1 calc R . . . .
C10 C 0.1781(10) 0.3641(5) 0.3105(5) 0.078(3) Uani 1 1 d . . . . .
H10 H 0.102983 0.366340 0.291166 0.093 Uiso 1 1 calc R . . . .
C3 C 0.7999(12) 0.3106(5) 0.3469(6) 0.098(5) Uani 1 1 d . . . . .
H3 H 0.869622 0.302909 0.333566 0.117 Uiso 1 1 calc R . . . .
C5 C 0.5989(12) 0.3301(4) 0.3278(5) 0.094(4) Uani 1 1 d . . . . .
H5 H 0.533612 0.335446 0.301721 0.113 Uiso 1 1 calc R . . . .
C19 C 0.6827(9) 0.5063(3) 0.5345(5) 0.066(3) Uani 1 1 d . . . . .
H19 H 0.717923 0.534217 0.544088 0.079 Uiso 1 1 calc R . . . .
C4 C 0.7045(13) 0.3161(5) 0.3109(6) 0.111(5) Uani 1 1 d . . . . .
H4 H 0.707983 0.310402 0.273390 0.133 Uiso 1 1 calc R . . . .
C16 C 0.8652(12) 0.2941(5) 0.6013(6) 0.087(4) Uani 1 1 d . . . . .
H16 H 0.870012 0.269481 0.625756 0.105 Uiso 1 1 calc R . . . .
C15 C 0.9437(11) 0.3291(5) 0.6088(7) 0.092(4) Uani 1 1 d . . . . .
H15 H 1.002764 0.328787 0.638866 0.111 Uiso 1 1 calc R . . . .
C13 C 0.8523(10) 0.3657(3) 0.5284(6) 0.074(4) Uani 1 1 d . . . . .
H13 H 0.848909 0.389477 0.502839 0.089 Uiso 1 1 calc R . . . .
C8 C 0.3570(11) 0.3992(4) 0.3597(6) 0.091(4) Uani 1 1 d . U . . .
H8 H 0.403356 0.424615 0.369764 0.109 Uiso 1 1 calc R . . . .
C14 C 0.9354(13) 0.3643(5) 0.5724(8) 0.102(5) Uani 1 1 d . . . . .
H14 H 0.988912 0.388121 0.578070 0.123 Uiso 1 1 calc R . . . .
C9 C 0.2439(13) 0.4024(5) 0.3260(7) 0.118(5) Uani 1 1 d . U . . .
H9 H 0.214902 0.430872 0.314456 0.142 Uiso 1 1 calc R . . . .
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'
Cl Cl 0.1484 0.1585 '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'
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
N6 Ru1 Cl1 89.6(2) . .
N6 Ru1 N7 79.1(3) . .
N6 Ru1 N5 79.1(3) . .
N6 Ru1 N2 175.4(3) . .
N6 Ru1 N1 97.5(3) . .
N7 Ru1 Cl1 86.02(18) . .
N5 Ru1 Cl1 90.10(19) . .
N5 Ru1 N7 157.9(3) . .
N2 Ru1 Cl1 94.9(2) . .
N2 Ru1 N7 100.0(3) . .
N2 Ru1 N5 102.0(3) . .
N1 Ru1 Cl1 172.9(3) . .
N1 Ru1 N7 95.9(3) . .
N1 Ru1 N5 90.6(3) . .
N1 Ru1 N2 78.1(3) . .
C26 N6 Ru1 119.7(5) . .
C22 N6 Ru1 119.0(6) . .
C22 N6 C26 121.3(8) . .
C27 N7 Ru1 114.2(6) . .
C31 N7 Ru1 127.8(6) . .
C31 N7 C27 118.0(8) . .
C17 N5 Ru1 127.6(7) . .
C17 N5 C21 118.8(8) . .
C21 N5 Ru1 113.4(6) . .
C6 N2 Ru1 115.8(7) . .
C6 N2 C7 118.7(9) . .
C7 N2 Ru1 125.2(6) . .
C1 N1 Ru1 117.9(7) . .
C1 N1 C12 122.0(8) . .
C12 N1 Ru1 119.6(6) . .
N6 C26 C27 112.0(7) . .
N6 C26 C25 120.9(8) . .
C25 C26 C27 127.1(7) . .
C25 C24 C23 118.6(9) . .
C25 C24 C32 121.8(8) . .
C23 C24 C32 119.6(8) . .
N7 C27 C26 114.7(7) . .
C28 C27 N7 121.7(8) . .
C28 C27 C26 123.7(8) . .
C26 C25 H25 120.7 . .
C24 C25 C26 118.6(8) . .
C24 C25 H25 120.7 . .
C30 C29 H29 119.5 . .
C28 C29 H29 119.5 . .
C28 C29 C30 120.9(8) . .
C29 C30 H30 120.4 . .
C31 C30 C29 119.1(9) . .
C31 C30 H30 120.4 . .
N6 C22 C23 118.4(8) . .
N6 C22 C21 113.9(9) . .
C23 C22 C21 127.5(8) . .
C11 N3 C7 117.8(11) . .
C27 C28 H28 121.0 . .
C29 C28 C27 118.0(9) . .
C29 C28 H28 121.0 . .
N5 C17 H17 119.5 . .
N5 C17 C18 121.0(10) . .
C18 C17 H17 119.5 . .
C24 C23 H23 119.1 . .
C22 C23 C24 121.9(8) . .
C22 C23 H23 119.1 . .
N7 C31 C30 122.3(9) . .
N7 C31 H31 118.9 . .
C30 C31 H31 118.9 . .
C33 C32 C24 118.6(9) . .
C37 C32 C24 122.4(9) . .
C37 C32 C33 119.0(10) . .
C32 C33 H33 120.5 . .
C34 C33 C32 118.9(10) . .
C34 C33 H33 120.5 . .
C17 C18 H18 119.7 . .
C19 C18 C17 120.6(10) . .
C19 C18 H18 119.7 . .
N1 C1 C6 114.9(8) . .
N1 C1 C2 128.8(11) . .
C6 C1 C2 116.4(10) . .
N2 C6 C1 113.2(9) . .
N2 C6 C5 126.8(11) . .
C5 C6 C1 119.9(10) . .
C12 N4 C16 118.5(10) . .
C33 C34 H34 119.1 . .
C33 C34 C35 121.8(11) . .
C35 C34 H34 119.1 . .
C21 C20 H20 119.3 . .
C19 C20 H20 119.3 . .
C19 C20 C21 121.4(11) . .
N4 C12 N1 117.4(9) . .
C13 C12 N1 118.1(10) . .
C13 C12 N4 124.4(12) . .
N3 C7 N2 115.4(9) . .
C8 C7 N2 118.9(10) . .
C8 C7 N3 125.6(12) . .
N5 C21 C22 114.5(8) . .
N5 C21 C20 119.5(9) . .
C20 C21 C22 126.0(10) . .
C32 C37 H37 120.2 . .
C32 C37 C36 119.5(10) . .
C36 C37 H37 120.2 . .
C34 C35 H35 119.3 . .
C36 C35 C34 121.3(12) . .
C36 C35 H35 119.3 . .
C37 C36 H36 120.3 . .
C35 C36 C37 119.4(10) . .
C35 C36 H36 120.3 . .
N3 C11 H11 118.6 . .
N3 C11 C10 122.8(12) . .
C10 C11 H11 118.6 . .
C1 C2 H2 119.9 . .
C3 C2 C1 120.2(11) . .
C3 C2 H2 119.9 . .
C11 C10 H10 121.5 . .
C9 C10 C11 117.1(13) . .
C9 C10 H10 121.5 . .
C2 C3 H3 118.5 . .
C4 C3 C2 123.0(11) . .
C4 C3 H3 118.5 . .
C6 C5 H5 120.5 . .
C4 C5 C6 119.0(12) . .
C4 C5 H5 120.5 . .
C18 C19 H19 120.6 . .
C20 C19 C18 118.7(10) . .
C20 C19 H19 120.6 . .
C3 C4 C5 121.4(13) . .
C3 C4 H4 119.3 . .
C5 C4 H4 119.3 . .
N4 C16 H16 121.0 . .
C15 C16 N4 118.0(13) . .
C15 C16 H16 121.0 . .
C16 C15 H15 120.1 . .
C14 C15 C16 119.8(14) . .
C14 C15 H15 120.1 . .
C12 C13 H13 121.3 . .
C12 C13 C14 117.3(12) . .
C14 C13 H13 121.3 . .
C7 C8 H8 122.7 . .
C7 C8 C9 114.6(12) . .
C9 C8 H8 122.7 . .
C15 C14 H14 119.1 . .
C13 C14 C15 121.9(14) . .
C13 C14 H14 119.1 . .
C10 C9 C8 121.6(14) . .
C10 C9 H9 119.2 . .
C8 C9 H9 119.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 Cl1 2.404(2) .
Ru1 N6 1.977(8) .
Ru1 N7 2.081(7) .
Ru1 N5 2.057(7) .
Ru1 N2 2.007(8) .
Ru1 N1 1.992(7) .
N6 C26 1.374(10) .
N6 C22 1.337(10) .
N7 C27 1.384(10) .
N7 C31 1.350(11) .
N5 C17 1.341(11) .
N5 C21 1.399(12) .
N2 C6 1.371(11) .
N2 C7 1.400(13) .
N1 C1 1.311(12) .
N1 C12 1.479(13) .
C26 C27 1.492(11) .
C26 C25 1.406(12) .
C24 C25 1.362(12) .
C24 C23 1.408(12) .
C24 C32 1.462(13) .
C27 C28 1.381(11) .
C25 H25 0.9300 .
C29 H29 0.9300 .
C29 C30 1.375(12) .
C29 C28 1.372(12) .
C30 H30 0.9300 .
C30 C31 1.363(11) .
C22 C23 1.385(13) .
C22 C21 1.446(12) .
N3 C7 1.356(12) .
N3 C11 1.344(13) .
C28 H28 0.9300 .
C17 H17 0.9300 .
C17 C18 1.435(12) .
C23 H23 0.9300 .
C31 H31 0.9300 .
C32 C33 1.441(13) .
C32 C37 1.378(13) .
C33 H33 0.9300 .
C33 C34 1.360(14) .
C18 H18 0.9300 .
C18 C19 1.372(16) .
C1 C6 1.425(14) .
C1 C2 1.461(12) .
C6 C5 1.421(15) .
N4 C12 1.328(12) .
N4 C16 1.387(15) .
C34 H34 0.9300 .
C34 C35 1.361(15) .
C20 H20 0.9300 .
C20 C21 1.432(12) .
C20 C19 1.347(14) .
C12 C13 1.321(14) .
C7 C8 1.345(14) .
C37 H37 0.9300 .
C37 C36 1.430(14) .
C35 H35 0.9300 .
C35 C36 1.355(14) .
C36 H36 0.9300 .
C11 H11 0.9300 .
C11 C10 1.388(17) .
C2 H2 0.9300 .
C2 C3 1.346(16) .
C10 H10 0.9300 .
C10 C9 1.377(17) .
C3 H3 0.9300 .
C3 C4 1.322(16) .
C5 H5 0.9300 .
C5 C4 1.392(16) .
C19 H19 0.9300 .
C4 H4 0.9300 .
C16 H16 0.9300 .
C16 C15 1.363(16) .
C15 H15 0.9300 .
C15 C14 1.356(19) .
C13 H13 0.9300 .
C13 C14 1.337(19) .
C8 H8 0.9300 .
C8 C9 1.447(17) .
C14 H14 0.9300 .
C9 H9 0.9300 .
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
Ru1 N6 C26 C27 -4.9(9) . . . .
Ru1 N6 C26 C25 174.8(6) . . . .
Ru1 N6 C22 C23 -175.7(6) . . . .
Ru1 N6 C22 C21 0.6(9) . . . .
Ru1 N7 C27 C26 -3.7(8) . . . .
Ru1 N7 C27 C28 177.4(6) . . . .
Ru1 N7 C31 C30 -177.4(6) . . . .
Ru1 N5 C17 C18 -175.8(6) . . . .
Ru1 N5 C21 C22 -2.3(9) . . . .
Ru1 N5 C21 C20 176.1(6) . . . .
Ru1 N2 C6 C1 -2.4(11) . . . .
Ru1 N2 C6 C5 -179.5(9) . . . .
Ru1 N2 C7 N3 -98.9(9) . . . .
Ru1 N2 C7 C8 84.5(11) . . . .
Ru1 N1 C1 C6 -3.3(11) . . . .
Ru1 N1 C1 C2 178.0(9) . . . .
Ru1 N1 C12 N4 78.3(10) . . . .
Ru1 N1 C12 C13 -100.2(10) . . . .
N6 C26 C27 N7 5.5(10) . . . .
N6 C26 C27 C28 -175.7(7) . . . .
N6 C26 C25 C24 1.1(12) . . . .
N6 C22 C23 C24 0.5(13) . . . .
N6 C22 C21 N5 1.2(11) . . . .
N6 C22 C21 C20 -177.1(8) . . . .
N7 C27 C28 C29 0.6(12) . . . .
N5 C17 C18 C19 2.0(14) . . . .
N2 C6 C5 C4 178.9(12) . . . .
N2 C7 C8 C9 -178.2(11) . . . .
N1 C1 C6 N2 3.7(13) . . . .
N1 C1 C6 C5 -179.1(9) . . . .
N1 C1 C2 C3 178.6(11) . . . .
N1 C12 C13 C14 175.4(11) . . . .
C26 N6 C22 C23 4.3(12) . . . .
C26 N6 C22 C21 -179.5(7) . . . .
C26 C27 C28 C29 -178.2(7) . . . .
C24 C32 C33 C34 179.7(9) . . . .
C24 C32 C37 C36 178.2(8) . . . .
C27 N7 C31 C30 1.5(12) . . . .
C27 C26 C25 C24 -179.2(7) . . . .
C25 C26 C27 N7 -174.2(8) . . . .
C25 C26 C27 C28 4.7(13) . . . .
C25 C24 C23 C22 -4.4(13) . . . .
C25 C24 C32 C33 34.9(12) . . . .
C25 C24 C32 C37 -145.0(9) . . . .
C29 C30 C31 N7 -0.4(12) . . . .
C30 C29 C28 C27 0.6(12) . . . .
C22 N6 C26 C27 175.1(7) . . . .
C22 N6 C26 C25 -5.2(12) . . . .
N3 C7 C8 C9 5.6(19) . . . .
N3 C11 C10 C9 8(2) . . . .
C28 C29 C30 C31 -0.7(12) . . . .
C17 N5 C21 C22 -177.5(7) . . . .
C17 N5 C21 C20 1.0(11) . . . .
C17 C18 C19 C20 -2.3(15) . . . .
C23 C24 C25 C26 3.4(12) . . . .
C23 C24 C32 C33 -146.2(8) . . . .
C23 C24 C32 C37 33.8(13) . . . .
C23 C22 C21 N5 177.0(8) . . . .
C23 C22 C21 C20 -1.3(14) . . . .
C31 N7 C27 C26 177.2(7) . . . .
C31 N7 C27 C28 -1.7(11) . . . .
C32 C24 C25 C26 -177.7(8) . . . .
C32 C24 C23 C22 176.7(8) . . . .
C32 C33 C34 C35 1.8(15) . . . .
C32 C37 C36 C35 2.5(14) . . . .
C33 C32 C37 C36 -1.7(13) . . . .
C33 C34 C35 C36 -1.1(17) . . . .
C1 N1 C12 N4 -109.3(11) . . . .
C1 N1 C12 C13 72.1(13) . . . .
C1 C6 C5 C4 2.0(18) . . . .
C1 C2 C3 C4 -2(2) . . . .
C6 N2 C7 N3 75.9(11) . . . .
C6 N2 C7 C8 -100.7(12) . . . .
C6 C1 C2 C3 -0.1(17) . . . .
C6 C5 C4 C3 -4(2) . . . .
N4 C12 C13 C14 -3.0(19) . . . .
N4 C16 C15 C14 -0.6(19) . . . .
C34 C35 C36 C37 -1.1(16) . . . .
C12 N1 C1 C6 -175.7(8) . . . .
C12 N1 C1 C2 5.5(15) . . . .
C12 N4 C16 C15 0.0(17) . . . .
C12 C13 C14 C15 2(2) . . . .
C7 N2 C6 C1 -177.7(8) . . . .
C7 N2 C6 C5 5.3(15) . . . .
C7 N3 C11 C10 -4.1(17) . . . .
C7 C8 C9 C10 -1(2) . . . .
C21 N5 C17 C18 -1.3(12) . . . .
C21 C22 C23 C24 -175.2(8) . . . .
C21 C20 C19 C18 1.9(15) . . . .
C37 C32 C33 C34 -0.3(13) . . . .
C11 N3 C7 N2 -179.4(9) . . . .
C11 N3 C7 C8 -3.1(17) . . . .
C11 C10 C9 C8 -5(2) . . . .
C2 C1 C6 N2 -177.5(8) . . . .
C2 C1 C6 C5 -0.2(15) . . . .
C2 C3 C4 C5 4(3) . . . .
C19 C20 C21 N5 -1.3(13) . . . .
C19 C20 C21 C22 177.0(9) . . . .
C16 N4 C12 N1 -176.6(9) . . . .
C16 N4 C12 C13 1.9(17) . . . .
C16 C15 C14 C13 -1(2) . . . .
