# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1907117'
loop_
_audit_author_name
_audit_author_address
'Liliana Dobrzanska'
;Nicolaus Copernicus University 
Poland
;
_audit_update_record             
;
2022-04-16 deposited with the CCDC.	2022-05-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H14 N8 O8 Ru'
_chemical_formula_weight         672.51

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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.9858(2)
_cell_length_b                   7.51510(10)
_cell_length_c                   19.8333(3)
_cell_angle_alpha                90
_cell_angle_beta                 104.5140(10)
_cell_angle_gamma                90
_cell_volume                     2306.63(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    30185
_cell_measurement_theta_min      2.9029
_cell_measurement_theta_max      36.7830

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.937
_exptl_crystal_F_000             1320
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.340
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    1.372
_shelx_estimated_absorpt_T_min   0.624
_shelx_estimated_absorpt_T_max   0.781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6236
_exptl_absorpt_correction_T_max  0.7805
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38098
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.911
_diffrn_reflns_theta_max         36.871
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             11093
_reflns_number_gt                10012
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0648P)²+1.0063P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11093
_refine_ls_number_parameters     327
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0334
_refine_ls_wR_factor_ref         0.1018
_refine_ls_wR_factor_gt          0.0993
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.91856(2) 0.41821(2) 0.14161(2) 0.00946(4) Uani 1 1 d . . . . .
N1 N 1.08794(9) 0.12887(19) 0.47647(7) 0.0181(2) Uani 1 1 d . . . . .
Ru Ru 1.00697(2) 0.41273(2) 0.27621(2) 0.00990(4) Uani 1 1 d . . . . .
C2 C 1.05739(10) 0.1499(2) 0.40822(8) 0.0163(2) Uani 1 1 d . . . . .
H2 H 1.038683 0.052136 0.377816 0.020 Uiso 1 1 calc R U . . .
N3 N 1.05460(8) 0.31972(17) 0.38470(6) 0.0140(2) Uani 1 1 d . . . . .
C3A C 1.08399(10) 0.41684(18) 0.44259(8) 0.0137(2) Uani 1 1 d . . . . .
N4 N 1.09155(10) 0.59394(17) 0.44937(8) 0.0176(2) Uani 1 1 d . . . . .
C5 C 1.12107(11) 0.6521(2) 0.51390(8) 0.0193(3) Uani 1 1 d . . . . .
H5 H 1.126567 0.777031 0.521036 0.023 Uiso 1 1 calc R U . . .
C6 C 1.14502(12) 0.5400(3) 0.57313(9) 0.0217(3) Uani 1 1 d . . . . .
H6 H 1.166509 0.589413 0.618252 0.026 Uiso 1 1 calc R U . . .
C7 C 1.13679(11) 0.3600(2) 0.56442(8) 0.0202(3) Uani 1 1 d . . . . .
H7 H 1.152729 0.280182 0.602638 0.024 Uiso 1 1 calc R U . . .
N8 N 1.10457(8) 0.30114(18) 0.49818(6) 0.0146(2) Uani 1 1 d . . . . .
C9 C 0.96939(9) 0.6344(2) 0.29462(8) 0.0144(2) Uani 1 1 d . . . . .
O10 O 0.94767(9) 0.77662(17) 0.30543(7) 0.0218(2) Uani 1 1 d . . . . .
N11 N 0.78405(9) 0.14844(17) -0.05058(7) 0.0158(2) Uani 1 1 d . . . . .
C11 C 0.87157(10) 0.6418(2) 0.14328(8) 0.0140(2) Uani 1 1 d . . . . .
O12 O 0.84470(9) 0.78449(17) 0.14375(7) 0.0221(2) Uani 1 1 d . . . . .
C13 C 1.10712(9) 0.51490(19) 0.26575(8) 0.0140(2) Uani 1 1 d . . . . .
O14 O 1.17287(8) 0.57165(16) 0.26079(8) 0.0208(2) Uani 1 1 d . . . . .
C15 C 1.00417(10) 0.5206(2) 0.10791(8) 0.0150(2) Uani 1 1 d . . . . .
O16 O 1.05751(10) 0.57911(18) 0.08470(8) 0.0259(3) Uani 1 1 d . . . . .
O17 O 1.05315(8) 0.16135(15) 0.25024(6) 0.01527(18) Uani 1 1 d . . . . .
C18 C 1.03190(10) 0.09993(18) 0.18896(8) 0.0134(2) Uani 1 1 d . . . . .
O19 O 0.97625(8) 0.16629(15) 0.13886(6) 0.01612(19) Uani 1 1 d . . . . .
C20 C 1.07661(14) -0.0665(2) 0.17412(10) 0.0231(3) Uani 1 1 d . . . . .
H20A H 1.060731 -0.089925 0.123914 0.035 Uiso 1 1 calc R U . . .
H20B H 1.058866 -0.167163 0.198717 0.035 Uiso 1 1 calc R U . . .
H20C H 1.139321 -0.050626 0.190074 0.035 Uiso 1 1 calc R U . . .
O21 O 0.89865(7) 0.26701(15) 0.28873(6) 0.01479(18) Uani 1 1 d . . . . .
C21 C 0.82604(10) 0.16429(19) 0.01597(8) 0.0145(2) Uani 1 1 d . . . . .
H21 H 0.844911 0.063813 0.044843 0.017 Uiso 1 1 calc R U . . .
C22 C 0.83713(9) 0.21679(18) 0.23878(7) 0.0117(2) Uani 1 1 d . . . . .
O23 O 0.82346(7) 0.27172(15) 0.17685(6) 0.01418(18) Uani 1 1 d . . . . .
C24 C 0.77670(11) 0.07928(19) 0.25499(9) 0.0159(3) Uani 1 1 d . . . . .
H24A H 0.716822 0.116266 0.234998 0.024 Uiso 1 1 calc R U . . .
H24B H 0.786745 0.067222 0.305590 0.024 Uiso 1 1 calc R U . . .
H24C H 0.787130 -0.035290 0.234944 0.024 Uiso 1 1 calc R U . . .
N31 N 0.84020(8) 0.33311(17) 0.03997(6) 0.01299(19) Uani 1 1 d . . . . .
C31A C 0.80475(9) 0.43420(19) -0.01536(8) 0.0117(2) Uani 1 1 d . . . . .
N41 N 0.80111(10) 0.61263(19) -0.02022(7) 0.0167(2) Uani 1 1 d . . . . .
C51 C 0.76382(11) 0.6754(2) -0.08280(9) 0.0198(3) Uani 1 1 d . . . . .
H51 H 0.760092 0.800844 -0.088685 0.024 Uiso 1 1 calc R U . . .
C61 C 0.72911(12) 0.5672(2) -0.14161(9) 0.0202(3) Uani 1 1 d . . . . .
H61 H 0.703362 0.620072 -0.185406 0.024 Uiso 1 1 calc R U . . .
C71 C 0.73291(11) 0.3870(2) -0.13490(8) 0.0173(3) Uani 1 1 d . . . . .
H71 H 0.710321 0.310151 -0.173165 0.021 Uiso 1 1 calc R U . . .
N81 N 0.77091(8) 0.32309(17) -0.07029(6) 0.01281(19) 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 C15 1.8357(15) . ?
Ru1 C11 1.8443(14) . ?
Ru1 O19 2.1126(11) . ?
Ru1 O23 2.1318(11) . ?
Ru1 N31 2.1853(12) . ?
Ru1 Ru 2.68986(17) . ?
N1 C2 1.328(2) . ?
N1 N8 1.3692(19) . ?
Ru C13 1.8336(14) . ?
Ru C9 1.8384(15) . ?
Ru O21 2.1154(11) . ?
Ru O17 2.1377(11) . ?
Ru N3 2.2083(13) . ?
C2 N3 1.356(2) . ?
C2 H2 0.9500 . ?
N3 C3A 1.3421(19) . ?
C3A N4 1.3401(19) . ?
C3A N8 1.378(2) . ?
N4 C5 1.323(2) . ?
C5 C6 1.418(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.366(3) . ?
C6 H6 0.9500 . ?
C7 N8 1.359(2) . ?
C7 H7 0.9500 . ?
C9 O10 1.1600(19) . ?
N11 C21 1.3278(19) . ?
N11 N81 1.3705(18) . ?
C11 O12 1.1560(18) . ?
C13 O14 1.1612(19) . ?
C15 O16 1.1529(19) . ?
O17 C18 1.2644(19) . ?
C18 O19 1.2587(19) . ?
C18 C20 1.505(2) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
O21 C22 1.2660(18) . ?
C21 N31 1.3541(19) . ?
C21 H21 0.9500 . ?
C22 O23 1.2618(18) . ?
C22 C24 1.503(2) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
N31 C31A 1.3383(19) . ?
C31A N41 1.3446(19) . ?
C31A N81 1.3716(19) . ?
N41 C51 1.322(2) . ?
C51 C61 1.416(3) . ?
C51 H51 0.9500 . ?
C61 C71 1.361(2) . ?
C61 H61 0.9500 . ?
C71 N81 1.361(2) . ?
C71 H71 0.9500 . ?

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
C15 Ru1 C11 88.22(7) . . ?
C15 Ru1 O19 89.77(6) . . ?
C11 Ru1 O19 177.97(6) . . ?
C15 Ru1 O23 173.61(6) . . ?
C11 Ru1 O23 97.90(6) . . ?
O19 Ru1 O23 84.12(5) . . ?
C15 Ru1 N31 95.40(6) . . ?
C11 Ru1 N31 98.13(6) . . ?
O19 Ru1 N31 82.36(4) . . ?
O23 Ru1 N31 81.97(4) . . ?
C15 Ru1 Ru 96.52(5) . . ?
C11 Ru1 Ru 96.38(5) . . ?
O19 Ru1 Ru 83.55(3) . . ?
O23 Ru1 Ru 84.67(3) . . ?
N31 Ru1 Ru 161.47(3) . . ?
C2 N1 N8 101.58(13) . . ?
C13 Ru C9 88.92(6) . . ?
C13 Ru O21 173.55(6) . . ?
C9 Ru O21 97.35(6) . . ?
C13 Ru O17 88.78(6) . . ?
C9 Ru O17 176.84(6) . . ?
O21 Ru O17 85.01(4) . . ?
C13 Ru N3 98.35(6) . . ?
C9 Ru N3 98.24(6) . . ?
O21 Ru N3 79.29(5) . . ?
O17 Ru N3 84.23(4) . . ?
C13 Ru Ru1 97.92(5) . . ?
C9 Ru Ru1 93.82(5) . . ?
O21 Ru Ru1 83.25(3) . . ?
O17 Ru Ru1 84.36(3) . . ?
N3 Ru Ru1 159.88(3) . . ?
N1 C2 N3 115.76(14) . . ?
N1 C2 H2 122.1 . . ?
N3 C2 H2 122.1 . . ?
C3A N3 C2 104.08(12) . . ?
C3A N3 Ru 128.51(10) . . ?
C2 N3 Ru 127.36(10) . . ?
N4 C3A N3 129.00(15) . . ?
N4 C3A N8 123.31(14) . . ?
N3 C3A N8 107.67(12) . . ?
C5 N4 C3A 115.26(15) . . ?
N4 C5 C6 124.19(16) . . ?
N4 C5 H5 117.9 . . ?
C6 C5 H5 117.9 . . ?
C7 C6 C5 119.09(15) . . ?
C7 C6 H6 120.5 . . ?
C5 C6 H6 120.5 . . ?
N8 C7 C6 116.47(16) . . ?
N8 C7 H7 121.8 . . ?
C6 C7 H7 121.8 . . ?
C7 N8 N1 127.46(14) . . ?
C7 N8 C3A 121.65(14) . . ?
N1 N8 C3A 110.89(12) . . ?
O10 C9 Ru 177.88(14) . . ?
C21 N11 N81 101.58(12) . . ?
O12 C11 Ru1 177.55(14) . . ?
O14 C13 Ru 176.36(14) . . ?
O16 C15 Ru1 177.10(14) . . ?
C18 O17 Ru 121.90(10) . . ?
O19 C18 O17 125.49(13) . . ?
O19 C18 C20 116.81(14) . . ?
O17 C18 C20 117.70(14) . . ?
C18 O19 Ru1 124.16(10) . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 O21 Ru 124.10(9) . . ?
N11 C21 N31 115.59(13) . . ?
N11 C21 H21 122.2 . . ?
N31 C21 H21 122.2 . . ?
O23 C22 O21 125.12(13) . . ?
O23 C22 C24 117.98(13) . . ?
O21 C22 C24 116.89(13) . . ?
C22 O23 Ru1 121.62(9) . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C31A N31 C21 104.15(12) . . ?
C31A N31 Ru1 128.12(10) . . ?
C21 N31 Ru1 127.24(10) . . ?
N31 C31A N41 128.80(14) . . ?
N31 C31A N81 107.91(12) . . ?
N41 C31A N81 123.29(14) . . ?
C51 N41 C31A 115.11(14) . . ?
N41 C51 C61 124.06(15) . . ?
N41 C51 H51 118.0 . . ?
C61 C51 H51 118.0 . . ?
C71 C61 C51 119.49(15) . . ?
C71 C61 H61 120.3 . . ?
C51 C61 H61 120.3 . . ?
N81 C71 C61 116.22(15) . . ?
N81 C71 H71 121.9 . . ?
C61 C71 H71 121.9 . . ?
C71 N81 N11 127.36(13) . . ?
C71 N81 C31A 121.82(13) . . ?
N11 N81 C31A 110.78(12) . . ?

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
N8 N1 C2 N3 1.08(18) . . . . ?
N1 C2 N3 C3A -1.38(18) . . . . ?
N1 C2 N3 Ru -179.02(11) . . . . ?
C2 N3 C3A N4 -177.27(17) . . . . ?
Ru N3 C3A N4 0.3(2) . . . . ?
C2 N3 C3A N8 1.03(16) . . . . ?
Ru N3 C3A N8 178.63(10) . . . . ?
N3 C3A N4 C5 178.47(16) . . . . ?
N8 C3A N4 C5 0.4(2) . . . . ?
C3A N4 C5 C6 0.9(3) . . . . ?
N4 C5 C6 C7 -0.8(3) . . . . ?
C5 C6 C7 N8 -0.7(2) . . . . ?
C6 C7 N8 N1 -177.89(15) . . . . ?
C6 C7 N8 C3A 2.0(2) . . . . ?
C2 N1 N8 C7 179.58(16) . . . . ?
C2 N1 N8 C3A -0.35(16) . . . . ?
N4 C3A N8 C7 -2.0(2) . . . . ?
N3 C3A N8 C7 179.61(14) . . . . ?
N4 C3A N8 N1 177.97(15) . . . . ?
N3 C3A N8 N1 -0.45(17) . . . . ?
Ru O17 C18 O19 -7.6(2) . . . . ?
Ru O17 C18 C20 172.38(12) . . . . ?
O17 C18 O19 Ru1 9.7(2) . . . . ?
C20 C18 O19 Ru1 -170.24(12) . . . . ?
N81 N11 C21 N31 0.25(17) . . . . ?
Ru O21 C22 O23 -13.4(2) . . . . ?
Ru O21 C22 C24 165.86(10) . . . . ?
O21 C22 O23 Ru1 13.6(2) . . . . ?
C24 C22 O23 Ru1 -165.61(10) . . . . ?
N11 C21 N31 C31A -0.11(17) . . . . ?
N11 C21 N31 Ru1 -172.55(10) . . . . ?
C21 N31 C31A N41 -179.63(16) . . . . ?
Ru1 N31 C31A N41 -7.3(2) . . . . ?
C21 N31 C31A N81 -0.09(16) . . . . ?
Ru1 N31 C31A N81 172.26(9) . . . . ?
N31 C31A N41 C51 178.05(15) . . . . ?
N81 C31A N41 C51 -1.4(2) . . . . ?
C31A N41 C51 C61 0.3(3) . . . . ?
N41 C51 C61 C71 0.4(3) . . . . ?
C51 C61 C71 N81 0.0(3) . . . . ?
C61 C71 N81 N11 -178.63(15) . . . . ?
C61 C71 N81 C31A -1.1(2) . . . . ?
C21 N11 N81 C71 177.48(15) . . . . ?
C21 N11 N81 C31A -0.30(16) . . . . ?
N31 C31A N81 C71 -177.67(13) . . . . ?
N41 C31A N81 C71 1.9(2) . . . . ?
N31 C31A N81 N11 0.26(16) . . . . ?
N41 C31A N81 N11 179.83(14) . . . . ?

_refine_diff_density_max         1.261
_refine_diff_density_min         -1.592
_refine_diff_density_rms         0.170

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1907116'
loop_
_audit_author_name
_audit_author_address
'Liliana Dobrzanska'
;Nicolaus Copernicus University in Torun
Poland
;
_audit_update_record             
;
2022-04-16 deposited with the CCDC.	2022-05-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H46 N8 O8 Ru2'
_chemical_formula_weight         896.93

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           59
_space_group_name_H-M_alt        'P m m n'
_space_group_name_Hall           '-P 2ab 2a'

_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+1/2, -y+1/2, z'
'x+1/2, -y, -z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'-x-1/2, y, z'
'x, -y-1/2, z'

_cell_length_a                   9.04050(10)
_cell_length_b                   22.6312(2)
_cell_length_c                   9.91070(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2027.70(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    18996
_cell_measurement_theta_min      3.8880
_cell_measurement_theta_max      76.3680

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_F_000             916
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.008
_exptl_absorpt_coefficient_mu    6.500
_shelx_estimated_absorpt_T_min   0.75917
_shelx_estimated_absorpt_T_max   0.950
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4422
_exptl_absorpt_correction_T_max  0.9498
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'micro-focus sealed X-ray tube'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            44051
_diffrn_reflns_av_unetI/netI     0.0151
_diffrn_reflns_av_R_equivalents  0.0517
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         4.461
_diffrn_reflns_theta_max         77.298
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             2355
_reflns_number_gt                2127
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0481P)²+1.8800P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2355
_refine_ls_number_parameters     201
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0330
_refine_ls_R_factor_gt           0.0293
_refine_ls_wR_factor_ref         0.0841
_refine_ls_wR_factor_gt          0.0808
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Ru Ru 0.750000 0.69077(2) 0.68704(3) 0.03146(11) Uani 1 2 d S T P . .
O20 O 0.6675(5) 0.70075(15) 0.8827(4) 0.0466(10) Uani 0.5 1 d . . P A 1
C22 C 0.6109(11) 0.750000 1.0932(10) 0.057(3) Uani 0.5 2 d S T P A .
H22A H 0.688555 0.770686 1.143487 0.086 Uiso 0.25 1 calc R U P . .
H22B H 0.603492 0.709175 1.125494 0.086 Uiso 0.25 1 calc R U P . .
H22C H 0.516118 0.770139 1.107012 0.086 Uiso 0.25 1 calc R U P . .
O23 O 0.9668(5) 0.70079(15) 0.7844(4) 0.0437(9) Uani 0.5 1 d . . P A -1
C25 C 1.1878(9) 0.750000 0.8501(8) 0.044(2) Uani 0.25 1 d S . P A -1
H25A H 1.245775 0.723237 0.793184 0.066 Uiso 0.25 1 calc R U P A -1
H25B H 1.192582 0.736681 0.944106 0.066 Uiso 0.25 1 calc R U P A -1
H25C H 1.228099 0.790082 0.843334 0.066 Uiso 0.25 1 calc R U P A -1
C18 C 0.5801(9) 0.6847(2) 0.6007(8) 0.0521(17) Uani 0.5 1 d . . P A -1
O19 O 0.4677(7) 0.6801(2) 0.5466(8) 0.091(2) Uani 0.5 1 d . . P A -1
C16 C 0.8462(9) 0.6827(2) 0.5238(7) 0.0518(16) Uani 0.5 1 d . . P A -1
O17 O 0.9027(10) 0.6769(2) 0.4193(6) 0.094(2) Uani 0.5 1 d . . P A -1
C2 C 0.750000 0.58037(16) 0.8882(3) 0.0427(9) Uani 1 2 d S T P . .
H2 H 0.750000 0.607724 0.960885 0.051 Uiso 1 2 calc R U P A .
C3A C 0.750000 0.54847(16) 0.6877(3) 0.0326(7) Uani 1 2 d S T P . .
C5 C 0.750000 0.48586(14) 0.5089(3) 0.0275(6) Uani 1 2 d S T P . .
C7 C 0.750000 0.44373(14) 0.7360(3) 0.0264(6) Uani 1 2 d S T P . .
C9 C 0.750000 0.47703(15) 0.3560(3) 0.0281(6) Uani 1 2 d S T P A .
C11 C 0.6680(7) 0.5289(3) 0.2867(5) 0.0436(13) Uani 0.5 1 d . . P A -1
H11A H 0.662005 0.521497 0.189398 0.065 Uiso 0.5 1 calc R U P A -1
H11B H 0.722127 0.565746 0.302785 0.065 Uiso 0.5 1 calc R U P A -1
H11C H 0.567940 0.532269 0.323958 0.065 Uiso 0.5 1 calc R U P A -1
C10 C 0.6648(6) 0.4190(3) 0.3171(5) 0.0420(13) Uani 0.5 1 d . . P A -1
H10A H 0.565320 0.420040 0.356345 0.063 Uiso 0.5 1 calc R U P A -1
H10B H 0.718537 0.384677 0.351945 0.063 Uiso 0.5 1 calc R U P A -1
H10C H 0.657285 0.416209 0.218649 0.063 Uiso 0.5 1 calc R U P A -1
C12 C 0.9064(6) 0.4728(3) 0.3131(5) 0.0388(12) Uani 0.5 1 d . . P A -1
H12A H 0.951793 0.437831 0.354214 0.058 Uiso 0.5 1 calc R U P A -1
H12B H 0.959774 0.508272 0.342055 0.058 Uiso 0.5 1 calc R U P A -1
H12C H 0.911119 0.469439 0.214614 0.058 Uiso 0.5 1 calc R U P A -1
C13 C 0.750000 0.39450(15) 0.8387(3) 0.0330(7) Uani 1 2 d S T P A .
C15 C 0.750000 0.33418(15) 0.7673(4) 0.0433(9) Uani 1 2 d S T P . .
H15A H 0.750000 0.302583 0.834934 0.065 Uiso 0.5 2 calc R U P A .
H15B H 0.661491 0.330756 0.710768 0.065 Uiso 0.25 1 calc R U P . .
H15C H 0.838509 0.330756 0.710768 0.065 Uiso 0.25 1 calc R U P . .
H15D H 0.750000 0.340146 0.669379 0.065 Uiso 0.5 2 calc R U P . .
H15E H 0.838509 0.311974 0.793545 0.065 Uiso 0.25 1 calc R U P . .
H15F H 0.661491 0.311974 0.793545 0.065 Uiso 0.25 1 calc R U P . .
C14 C 0.8908(4) 0.39908(12) 0.9258(3) 0.0450(6) Uani 1 1 d . . . . .
H14A H 0.978273 0.395946 0.867800 0.067 Uiso 1 1 calc R U . A .
H14B H 0.891720 0.367002 0.992187 0.067 Uiso 1 1 calc R U . . .
H14C H 0.891920 0.437197 0.972664 0.067 Uiso 1 1 calc R U . . .
N1 N 0.750000 0.52272(12) 0.9083(3) 0.0358(7) Uani 1 2 d S T P A .
N3 N 0.750000 0.59823(13) 0.7578(3) 0.0424(8) Uani 1 2 d S T P A .
N4 N 0.750000 0.54125(12) 0.5530(3) 0.0335(6) Uani 1 2 d S T P A .
C6 C 0.750000 0.43673(13) 0.5979(3) 0.0258(6) Uani 1 2 d S T P A .
H6 H 0.750000 0.397947 0.561275 0.031 Uiso 1 2 calc R U P . .
N8 N 0.750000 0.50148(12) 0.7774(3) 0.0283(6) Uani 1 2 d S T P A .
C24 C 1.0261(8) 0.750000 0.8027(7) 0.0339(14) Uani 0.5 2 d S T P . .
C21 C 0.6503(8) 0.750000 0.9380(8) 0.0375(15) Uani 0.5 2 d S T P . .


_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
Ru C18 1.763(7) . ?
Ru C16 1.846(7) . ?
Ru O20 2.090(4) 7_755 ?
Ru O20 2.090(4) . ?
Ru O23 2.196(4) . ?
Ru N3 2.209(3) . ?
Ru Ru 2.6808(5) 2_665 ?
O20 C21 1.252(5) . ?
C22 C21 1.579(11) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22 H22A 0.98(7) 8_575 ?
C22 H22B 0.9799 8_575 ?
C22 H22C 0.98(7) 8_575 ?
O23 C24 1.249(5) . ?
C25 C24 1.535(11) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C18 O19 1.154(8) . ?
C16 O17 1.162(8) . ?
C2 N1 1.320(4) . ?
C2 N3 1.354(5) . ?
C2 H2 0.9500 . ?
C3A N3 1.323(5) . ?
C3A N4 1.345(4) . ?
C3A N8 1.386(4) . ?
C5 N4 1.328(4) . ?
C5 C6 1.419(4) . ?
C5 C9 1.528(4) . ?
C7 N8 1.370(4) . ?
C7 C6 1.377(4) . ?
C7 C13 1.509(4) . ?
C9 C12 1.479(5) . ?
C9 C11 1.549(6) . ?
C9 C10 1.570(6) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C15 1.537(5) . ?
C13 C14 1.541(3) 7_755 ?
C13 C14 1.541(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15 H15D 0.9800 . ?
C15 H15E 0.9800 . ?
C15 H15F 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
N1 N8 1.383(4) . ?
C6 H6 0.9500 . ?

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
C18 Ru C16 88.7(5) . . ?
C18 Ru O20 140.3(3) . 7_755 ?
C16 Ru O20 131.0(3) . 7_755 ?
C18 Ru O20 98.5(3) . . ?
C16 Ru O20 172.8(3) . . ?
O20 Ru O20 41.8(3) 7_755 . ?
C18 Ru O23 176.7(3) . . ?
C16 Ru O23 88.5(3) . . ?
O20 Ru O23 42.49(18) 7_755 . ?
O20 Ru O23 84.26(19) . . ?
C18 Ru N3 94.62(18) . . ?
C16 Ru N3 100.66(18) . . ?
O20 Ru N3 78.93(12) 7_755 . ?
O20 Ru N3 78.93(12) . . ?
O23 Ru N3 87.62(10) . . ?
C18 Ru Ru 94.45(17) . 2_665 ?
C16 Ru Ru 95.65(16) . 2_665 ?
O20 Ru Ru 83.79(9) 7_755 2_665 ?
O20 Ru Ru 83.79(9) . 2_665 ?
O23 Ru Ru 84.07(9) . 2_665 ?
N3 Ru Ru 161.49(8) . 2_665 ?
C21 O20 Ru 123.2(4) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C22 H22A 109.5(15) . 8_575 ?
H22A C22 H22A 57.1 . 8_575 ?
H22B C22 H22A 55.4 . 8_575 ?
H22C C22 H22A 141.0 . 8_575 ?
C21 C22 H22B 109.47(5) . 8_575 ?
H22A C22 H22B 55.4 . 8_575 ?
H22B C22 H22B 141.0 . 8_575 ?
H22C C22 H22B 57.1 . 8_575 ?
H22A C22 H22B 109.5 8_575 8_575 ?
C21 C22 H22C 109.5(15) . 8_575 ?
H22A C22 H22C 141.0 . 8_575 ?
H22B C22 H22C 57.1 . 8_575 ?
H22C C22 H22C 55.4 . 8_575 ?
H22A C22 H22C 109.5 8_575 8_575 ?
H22B C22 H22C 109.5 8_575 8_575 ?
C24 O23 Ru 122.6(4) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O19 C18 Ru 178.5(8) . . ?
O17 C16 Ru 177.8(8) . . ?
N1 C2 N3 116.1(3) . . ?
N1 C2 H2 122.0 . . ?
N3 C2 H2 122.0 . . ?
N3 C3A N4 128.6(3) . . ?
N3 C3A N8 108.5(3) . . ?
N4 C3A N8 122.9(3) . . ?
N4 C5 C6 122.3(3) . . ?
N4 C5 C9 116.7(3) . . ?
C6 C5 C9 120.9(3) . . ?
N8 C7 C6 114.0(3) . . ?
N8 C7 C13 120.2(3) . . ?
C6 C7 C13 125.8(3) . . ?
C12 C9 C5 107.1(2) . . ?
C12 C9 C11 112.3(4) . . ?
C5 C9 C11 109.9(3) . . ?
C12 C9 C10 110.1(4) . . ?
C5 C9 C10 110.7(3) . . ?
C11 C9 C10 106.8(3) . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C7 C13 C15 110.2(3) . . ?
C7 C13 C14 109.14(18) . 7_755 ?
C15 C13 C14 108.50(19) . 7_755 ?
C7 C13 C14 109.14(18) . . ?
C15 C13 C14 108.50(19) . . ?
C14 C13 C14 111.3(3) 7_755 . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
H15D C15 H15E 109.5 . . ?
H15D C15 H15F 109.5 . . ?
H15E C15 H15F 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C2 N1 N8 101.6(3) . . ?
C3A N3 C2 104.3(3) . . ?
C3A N3 Ru 129.8(2) . . ?
C2 N3 Ru 125.9(2) . . ?
C5 N4 C3A 116.2(3) . . ?
C7 C6 C5 121.8(3) . . ?
C7 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
C7 N8 N1 127.8(3) . . ?
C7 N8 C3A 122.7(3) . . ?
N1 N8 C3A 109.6(3) . . ?
O23 C24 C25 117.0(4) . . ?
O20 C21 O20 125.8(7) 8_575 . ?
O20 C21 C22 117.1(4) 8_575 . ?
O20 C21 C22 117.1(4) . . ?

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
N4 C5 C9 C12 91.6(3) . . . . ?
C6 C5 C9 C12 -88.4(3) . . . . ?
N4 C5 C9 C11 -30.6(3) . . . . ?
C6 C5 C9 C11 149.4(3) . . . . ?
N4 C5 C9 C10 -148.4(3) . . . . ?
C6 C5 C9 C10 31.6(3) . . . . ?
N8 C7 C13 C15 180.000(1) . . . . ?
C6 C7 C13 C15 0.000(2) . . . . ?
N8 C7 C13 C14 60.9(2) . . . 7_755 ?
C6 C7 C13 C14 -119.1(2) . . . 7_755 ?
N8 C7 C13 C14 -60.9(2) . . . . ?
C6 C7 C13 C14 119.1(2) . . . . ?
N3 C2 N1 N8 0.000(2) . . . . ?
N4 C3A N3 C2 180.000(2) . . . . ?
N8 C3A N3 C2 0.000(2) . . . . ?
N4 C3A N3 Ru 0.000(2) . . . . ?
N8 C3A N3 Ru 180.000(1) . . . . ?
N1 C2 N3 C3A 0.000(2) . . . . ?
N1 C2 N3 Ru 180.000(1) . . . . ?
C6 C5 N4 C3A 0.000(2) . . . . ?
C9 C5 N4 C3A 180.000(1) . . . . ?
N3 C3A N4 C5 180.000(2) . . . . ?
N8 C3A N4 C5 0.000(2) . . . . ?
N8 C7 C6 C5 0.000(2) . . . . ?
C13 C7 C6 C5 180.000(1) . . . . ?
N4 C5 C6 C7 0.000(2) . . . . ?
C9 C5 C6 C7 180.000(1) . . . . ?
C6 C7 N8 N1 180.000(1) . . . . ?
C13 C7 N8 N1 0.000(2) . . . . ?
C6 C7 N8 C3A 0.000(2) . . . . ?
C13 C7 N8 C3A 180.000(1) . . . . ?
C2 N1 N8 C7 180.000(2) . . . . ?
C2 N1 N8 C3A 0.000(1) . . . . ?
N3 C3A N8 C7 180.000(2) . . . . ?
N4 C3A N8 C7 0.000(2) . . . . ?
N3 C3A N8 N1 0.000(2) . . . . ?
N4 C3A N8 N1 180.000(1) . . . . ?
Ru O23 C24 C25 -170.1(5) . . . . ?
Ru O20 C21 O20 6.3(12) . . . 8_575 ?
Ru O20 C21 C22 -170.7(6) . . . . ?

_refine_diff_density_max         1.211
_refine_diff_density_min         -0.518
_refine_diff_density_rms         0.079

