# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_rupn
_database_code_depnum_ccdc_archive 'CCDC 2355358'
loop_
_audit_author_name
_audit_author_address
'Jan Grzegorz Malecki'
;Institute of Chemistry, University of Silesia, Katowice, Poland
Poland
;
_audit_update_record             
;
2024-05-14 deposited with the CCDC.	2024-10-15 downloaded from the CCDC.
;
_audit_creation_date             2023-03-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H18 Br2 N10 Ru2'
_chemical_formula_sum            'C20 H18 Br2 N10 Ru2'
_chemical_formula_weight         760.40
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20 H26 Br1 Cl1 N5 Ru1'
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'
Br Br -0.2901 2.4595 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        Cc
_space_group_name_Hall           'C -2yc'
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'

_cell_length_a                   21.2545(14)
_cell_length_b                   15.6065(9)
_cell_length_c                   7.4968(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.204(5)
_cell_angle_gamma                90
_cell_volume                     2486.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4141
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      26.0780
_cell_measurement_theta_min      4.0250
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.458
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52447
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.031
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_unetI/netI     0.0613
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.880
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            10829
_diffrn_reflns_point_group_measured_fraction_full 0.880
_diffrn_reflns_point_group_measured_fraction_max 0.731
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.383
_diffrn_reflns_theta_min         3.769
_diffrn_ambient_temperature      295(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4015
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.880
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -46.00  69.00   1.00   19.59    --  -10.61  19.00 120.00  115
  2  ω    -98.00 -24.00   1.00   19.59    --  -10.61   0.00 120.00   74
  3  ω     19.00  52.00   1.00   19.59    --   10.76 -99.00-120.00   33
  4  ω      7.00  32.00   1.00   19.59    --   10.76 -99.00 -60.00   25
  5  ω     24.00  49.00   1.00   19.59    --   10.76 -99.00 120.00   25
  6  ω    -26.00  25.00   1.00   19.59    --   10.76  90.00  13.00   51
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0295088000
_diffrn_orient_matrix_UB_12      -0.0078362000
_diffrn_orient_matrix_UB_13      0.0412837000
_diffrn_orient_matrix_UB_21      0.0082718000
_diffrn_orient_matrix_UB_22      0.0437055000
_diffrn_orient_matrix_UB_23      -0.0114591000
_diffrn_orient_matrix_UB_31      -0.0132096000
_diffrn_orient_matrix_UB_32      0.0098119000
_diffrn_orient_matrix_UB_33      0.0843006000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.659
_reflns_Friedel_fraction_full    0.762
_reflns_Friedel_fraction_max     0.582
_reflns_number_gt                3834
_reflns_number_total             5003
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         1.130
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.161
_refine_ls_abs_structure_details 
;
 Flack (1983), 1298 Friedel pairs
;
_refine_ls_abs_structure_Flack   ?
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         5003
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0879
_refine_ls_R_factor_gt           0.0641
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1169P)²+3.4495P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1716
_refine_ls_wR_factor_ref         0.1942
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C18(H18A,H18B), C19(H19A,H19B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C6(H6), C7(H7), C12(H12), C14(H14), C15(H15),
 C16(H16), C17(H17)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.31365(7) 0.37448(8) 0.34584(15) 0.0508(4) Uani 1 1 d . . . . .
Ru2 Ru 0.26846(9) 0.56187(10) 0.4508(2) 0.0680(5) Uani 1 1 d . . . . .
Br1 Br 0.35895(11) 0.48822(13) 0.6176(2) 0.0637(5) Uani 1 1 d . . . . .
Br2 Br 0.19681(8) 0.40967(11) 0.3932(2) 0.0555(5) Uani 1 1 d . . . . .
N1 N 0.4387(6) 0.2783(8) 0.2893(18) 0.044(3) Uani 1 1 d . . . . .
N2 N 0.4714(7) 0.2093(9) 0.229(2) 0.057(4) Uani 1 1 d . . . . .
N3 N 0.3692(6) 0.1919(8) 0.2129(16) 0.039(3) Uani 1 1 d . . . . .
N4 N 0.3197(8) 0.0786(9) 0.077(2) 0.054(3) Uani 1 1 d . . . . .
N5 N 0.5588(13) 0.5376(19) 0.295(4) 0.121(10) Uani 1 1 d . . . . .
N6 N 0.1688(6) 0.6959(8) 0.3559(18) 0.044(3) Uani 1 1 d . . . . .
N7 N 0.1521(8) 0.7699(10) 0.271(2) 0.060(4) Uani 1 1 d . . . . .
N8 N 0.2539(6) 0.7481(8) 0.2682(17) 0.043(3) Uani 1 1 d . . . . .
N9 N 0.3257(8) 0.8457(9) 0.165(2) 0.057(4) Uani 1 1 d . . . . .
N10 N 0.0024(8) 0.4918(11) 0.439(2) 0.067(4) Uani 1 1 d . . . . .
C1 C 0.3756(6) 0.2736(9) 0.2829(18) 0.035(3) Uani 1 1 d . . . . .
C2 C 0.4280(8) 0.1564(11) 0.183(2) 0.050(4) Uani 1 1 d . . . . .
H2 H 0.435031 0.102105 0.135575 0.060 Uiso 1 1 calc R U . . .
C3 C 0.3113(7) 0.1488(10) 0.1728(19) 0.040(3) Uani 1 1 d . . . . .
C4 C 0.2533(9) 0.1773(12) 0.232(3) 0.057(4) Uani 1 1 d . . . . .
H4 H 0.249693 0.225975 0.303187 0.068 Uiso 1 1 calc R U . . .
C5 C 0.2026(9) 0.1317(13) 0.184(3) 0.062(5) Uani 1 1 d . . . . .
H5 H 0.162760 0.148746 0.220175 0.074 Uiso 1 1 calc R U . . .
C6 C 0.2096(12) 0.0604(13) 0.081(3) 0.073(6) Uani 1 1 d . . . . .
H6 H 0.174498 0.029555 0.044356 0.088 Uiso 1 1 calc R U . . .
C7 C 0.2673(11) 0.0349(11) 0.034(2) 0.060(5) Uani 1 1 d . . . . .
H7 H 0.271365 -0.015248 -0.031997 0.072 Uiso 1 1 calc R U . . .
C8 C 0.4747(9) 0.3530(11) 0.352(3) 0.053(4) Uani 1 1 d . . . . .
H8A H 0.505254 0.335139 0.440921 0.064 Uiso 1 1 calc R U . . .
H8B H 0.446565 0.394213 0.406398 0.064 Uiso 1 1 calc R U . . .
C9 C 0.5081(10) 0.3938(13) 0.196(3) 0.064(5) Uani 1 1 d . . . . .
H9A H 0.537830 0.353372 0.145823 0.077 Uiso 1 1 calc R U . . .
H9B H 0.477687 0.408443 0.104258 0.077 Uiso 1 1 calc R U . . .
C10 C 0.5419(12) 0.4722(16) 0.254(4) 0.085(7) Uani 1 1 d . . . . .
C11 C 0.2270(9) 0.6791(10) 0.357(2) 0.050(4) Uani 1 1 d . . . . .
C12 C 0.2044(8) 0.8005(12) 0.217(3) 0.053(4) Uani 1 1 d . . . . .
H12 H 0.208585 0.850973 0.151888 0.064 Uiso 1 1 calc R U . . .
C13 C 0.3180(8) 0.7706(10) 0.2421(19) 0.045(4) Uani 1 1 d . . . . .
C14 C 0.3674(9) 0.7181(12) 0.304(2) 0.054(4) Uani 1 1 d . . . . .
H14 H 0.359607 0.665809 0.358704 0.065 Uiso 1 1 calc R U . . .
C15 C 0.4266(9) 0.7473(14) 0.279(2) 0.060(5) Uani 1 1 d . . . . .
H15 H 0.460633 0.714872 0.318426 0.071 Uiso 1 1 calc R U . . .
C16 C 0.4368(10) 0.8254(14) 0.196(3) 0.063(5) Uani 1 1 d . . . . .
H16 H 0.477172 0.846952 0.179834 0.076 Uiso 1 1 calc R U . . .
C17 C 0.3849(11) 0.8689(13) 0.140(3) 0.066(6) Uani 1 1 d . . . . .
H17 H 0.391717 0.919738 0.077998 0.079 Uiso 1 1 calc R U . . .
C18 C 0.1202(9) 0.6416(12) 0.432(2) 0.053(4) Uani 1 1 d . . . . .
H18A H 0.087187 0.677000 0.482152 0.063 Uiso 1 1 calc R U . . .
H18B H 0.138023 0.607148 0.527243 0.063 Uiso 1 1 calc R U . . .
C19 C 0.0927(8) 0.5837(10) 0.290(2) 0.047(4) Uani 1 1 d . . . . .
H19A H 0.075552 0.617898 0.193508 0.056 Uiso 1 1 calc R U . . .
H19B H 0.125409 0.547118 0.241760 0.056 Uiso 1 1 calc R U . . .
C20 C 0.0420(8) 0.5299(12) 0.370(2) 0.051(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 Br1 2.908(2) 2_564 ?
Ru1 Br1 2.866(2) . ?
Ru1 Br2 2.569(2) . ?
Ru1 C1 2.107(14) . ?
Ru2 Br1 2.563(3) . ?
Ru2 Br2 2.854(3) . ?
Ru2 C11 2.149(17) . ?
N1 N2 1.359(18) . ?
N1 C1 1.343(19) . ?
N1 C8 1.47(2) . ?
N2 C2 1.29(2) . ?
N3 C1 1.385(19) . ?
N3 C2 1.39(2) . ?
N3 C3 1.43(2) . ?
N4 C3 1.32(2) . ?
N4 C7 1.34(3) . ?
N5 C10 1.12(3) . ?
N6 N7 1.36(2) . ?
N6 C11 1.26(2) . ?
N6 C18 1.45(2) . ?
N7 C12 1.28(2) . ?
N8 C11 1.39(2) . ?
N8 C12 1.39(2) . ?
N8 C13 1.42(2) . ?
N9 C13 1.32(2) . ?
N9 C17 1.32(3) . ?
N10 C20 1.15(2) . ?
C2 H2 0.9300 . ?
C3 C4 1.39(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.34(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.36(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.34(3) . ?
C7 H7 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.51(3) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.48(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.41(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.35(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.39(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.36(3) . ?
C17 H17 0.9300 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.51(2) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C20 1.49(2) . ?

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
_geom_angle_publ_flag
Br1 Ru1 Br1 81.42(4) . 2_564 ?
Br2 Ru1 Br1 95.27(7) . . ?
Br2 Ru1 Br1 104.24(7) . 2_564 ?
C1 Ru1 Br1 102.2(4) . 2_564 ?
C1 Ru1 Br1 114.4(4) . . ?
C1 Ru1 Br2 142.7(4) . . ?
Br1 Ru2 Br2 95.72(7) . . ?
C11 Ru2 Br1 148.1(5) . . ?
C11 Ru2 Br2 116.1(5) . . ?
Ru1 Br1 Ru1 139.77(10) . 2_565 ?
Ru2 Br1 Ru1 72.97(7) . 2_565 ?
Ru2 Br1 Ru1 71.42(7) . . ?
Ru1 Br2 Ru2 71.54(6) . . ?
N2 N1 C8 117.8(13) . . ?
C1 N1 N2 117.3(13) . . ?
C1 N1 C8 125.0(13) . . ?
C2 N2 N1 103.3(13) . . ?
C1 N3 C2 110.1(13) . . ?
C1 N3 C3 126.5(12) . . ?
C2 N3 C3 123.5(13) . . ?
C3 N4 C7 116.0(16) . . ?
N7 N6 C18 119.5(14) . . ?
C11 N6 N7 115.5(14) . . ?
C11 N6 C18 125.0(16) . . ?
C12 N7 N6 104.0(15) . . ?
C11 N8 C13 130.8(15) . . ?
C12 N8 C11 106.1(14) . . ?
C12 N8 C13 122.9(13) . . ?
C13 N9 C17 115.2(18) . . ?
N1 C1 Ru1 125.2(10) . . ?
N1 C1 N3 99.2(12) . . ?
N3 C1 Ru1 135.4(10) . . ?
N2 C2 N3 110.1(14) . . ?
N2 C2 H2 124.9 . . ?
N3 C2 H2 124.9 . . ?
N4 C3 N3 112.6(14) . . ?
N4 C3 C4 124.3(16) . . ?
C4 C3 N3 123.1(15) . . ?
C3 C4 H4 121.4 . . ?
C5 C4 C3 117.2(17) . . ?
C5 C4 H4 121.4 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.9(19) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 H6 120.2 . . ?
C7 C6 C5 119.7(19) . . ?
C7 C6 H6 120.2 . . ?
N4 C7 H7 118.5 . . ?
C6 C7 N4 122.9(17) . . ?
C6 C7 H7 118.5 . . ?
N1 C8 H8A 109.8 . . ?
N1 C8 H8B 109.8 . . ?
N1 C8 C9 109.5(15) . . ?
H8A C8 H8B 108.2 . . ?
C9 C8 H8A 109.8 . . ?
C9 C8 H8B 109.8 . . ?
C8 C9 H9A 109.6 . . ?
C8 C9 H9B 109.6 . . ?
H9A C9 H9B 108.1 . . ?
C10 C9 C8 110.4(17) . . ?
C10 C9 H9A 109.6 . . ?
C10 C9 H9B 109.6 . . ?
N5 C10 C9 169(3) . . ?
N6 C11 Ru2 125.4(12) . . ?
N6 C11 N8 103.9(15) . . ?
N8 C11 Ru2 130.4(14) . . ?
N7 C12 N8 110.4(16) . . ?
N7 C12 H12 124.8 . . ?
N8 C12 H12 124.8 . . ?
N9 C13 N8 113.7(16) . . ?
N9 C13 C14 124.5(15) . . ?
C14 C13 N8 121.7(13) . . ?
C13 C14 H14 121.5 . . ?
C15 C14 C13 117.0(17) . . ?
C15 C14 H14 121.5 . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120(2) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 121.6 . . ?
C17 C16 C15 116.8(19) . . ?
C17 C16 H16 121.6 . . ?
N9 C17 C16 126.1(19) . . ?
N9 C17 H17 117.0 . . ?
C16 C17 H17 117.0 . . ?
N6 C18 H18A 109.6 . . ?
N6 C18 H18B 109.6 . . ?
N6 C18 C19 110.2(14) . . ?
H18A C18 H18B 108.1 . . ?
C19 C18 H18A 109.6 . . ?
C19 C18 H18B 109.6 . . ?
C18 C19 H19A 109.8 . . ?
C18 C19 H19B 109.8 . . ?
H19A C19 H19B 108.3 . . ?
C20 C19 C18 109.3(14) . . ?
C20 C19 H19A 109.8 . . ?
C20 C19 H19B 109.8 . . ?
N10 C20 C19 176.2(19) . . ?

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
_geom_torsion_publ_flag
N1 N2 C2 N3 0.1(19) . . . . ?
N1 C8 C9 C10 176.8(19) . . . . ?
N2 N1 C1 Ru1 -174.4(12) . . . . ?
N2 N1 C1 N3 0.7(17) . . . . ?
N2 N1 C8 C9 67(2) . . . . ?
N3 C3 C4 C5 179.3(15) . . . . ?
N4 C3 C4 C5 -3(3) . . . . ?
N6 N7 C12 N8 -1(2) . . . . ?
N6 C18 C19 C20 -178.7(14) . . . . ?
N7 N6 C11 Ru2 -172.7(11) . . . . ?
N7 N6 C11 N8 1.4(18) . . . . ?
N7 N6 C18 C19 83.7(18) . . . . ?
N8 C13 C14 C15 -177.0(15) . . . . ?
N9 C13 C14 C15 -1(2) . . . . ?
C1 N1 N2 C2 -1(2) . . . . ?
C1 N1 C8 C9 -111.0(18) . . . . ?
C1 N3 C2 N2 0.4(18) . . . . ?
C1 N3 C3 N4 168.2(13) . . . . ?
C1 N3 C3 C4 -13(2) . . . . ?
C2 N3 C1 Ru1 173.7(12) . . . . ?
C2 N3 C1 N1 -0.6(15) . . . . ?
C2 N3 C3 N4 -10.7(19) . . . . ?
C2 N3 C3 C4 167.7(16) . . . . ?
C3 N3 C1 Ru1 -5(2) . . . . ?
C3 N3 C1 N1 -179.6(13) . . . . ?
C3 N3 C2 N2 179.4(14) . . . . ?
C3 N4 C7 C6 1(3) . . . . ?
C3 C4 C5 C6 0(3) . . . . ?
C4 C5 C6 C7 2(3) . . . . ?
C5 C6 C7 N4 -3(3) . . . . ?
C7 N4 C3 N3 -179.7(14) . . . . ?
C7 N4 C3 C4 2(2) . . . . ?
C8 N1 N2 C2 -179.1(15) . . . . ?
C8 N1 C1 Ru1 4(2) . . . . ?
C8 N1 C1 N3 179.1(14) . . . . ?
C8 C9 C10 N5 -85(15) . . . . ?
C11 N6 N7 C12 0(2) . . . . ?
C11 N6 C18 C19 -94(2) . . . . ?
C11 N8 C12 N7 2(2) . . . . ?
C11 N8 C13 N9 -174.0(15) . . . . ?
C11 N8 C13 C14 3(2) . . . . ?
C12 N8 C11 Ru2 171.8(13) . . . . ?
C12 N8 C11 N6 -1.9(17) . . . . ?
C12 N8 C13 N9 0(2) . . . . ?
C12 N8 C13 C14 176.7(15) . . . . ?
C13 N8 C11 Ru2 -13(2) . . . . ?
C13 N8 C11 N6 172.8(15) . . . . ?
C13 N8 C12 N7 -173.4(15) . . . . ?
C13 N9 C17 C16 -4(3) . . . . ?
C13 C14 C15 C16 0(3) . . . . ?
C14 C15 C16 C17 -1(3) . . . . ?
C15 C16 C17 N9 4(3) . . . . ?
C17 N9 C13 N8 179.4(15) . . . . ?
C17 N9 C13 C14 3(2) . . . . ?
C18 N6 N7 C12 -178.2(15) . . . . ?
C18 N6 C11 Ru2 5(2) . . . . ?
C18 N6 C11 N8 179.3(14) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.801
_oxdiff_exptl_absorpt_empirical_full_min 0.741
