# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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. 
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data_17feba_1_0m
_database_code_depnum_ccdc_archive 'CCDC 2259821'
loop_
_audit_author_name
_audit_author_address
'Rakesh Kumar'
;Indian Institute of Technology Kanpur India
India
;
_audit_update_record             
;
2023-04-29 deposited with the CCDC.	2023-08-09 downloaded from the CCDC.
;
_audit_creation_date             2023-04-29
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H28 N6 Ru, 2(F6 P)'
_chemical_formula_sum            'C23 H28 F12 N6 P2 Ru'
_chemical_formula_weight         779.52
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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'

_cell_length_a                   13.1578(15)
_cell_length_b                   11.6873(13)
_cell_length_c                   19.140(2)
_cell_angle_alpha                90
_cell_angle_beta                 103.637(4)
_cell_angle_gamma                90
_cell_volume                     2860.3(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7592
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.11
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   0.887
_shelx_estimated_absorpt_T_min   0.868
_exptl_absorpt_coefficient_mu    0.766
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5043
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1687 before and 0.0835 after correction. The Ratio of minimum to maximum transmission is 0.6763. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic reddish red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1560
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1260
_diffrn_reflns_av_unetI/netI     0.0852
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            43525
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.349
_diffrn_reflns_theta_min         2.439
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4217
_reflns_number_total             7131
_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       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.261
_refine_diff_density_min         -1.125
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         7131
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1349
_refine_ls_R_factor_gt           0.0755
_refine_ls_restrained_S_all      0.984
_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)+(0.1108P)²+12.8150P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1900
_refine_ls_wR_factor_ref         0.2407
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C9(H9A,H9B), C10(H10A,H10B), C8(H8A,H8B), C6(H6A,H6B)
2.b Aromatic/amide H refined with riding coordinates:
 C21(H21), C19(H19), C18(H18), C20(H20), C1(H1), C15(H15), C2(H2), C12(H12),
 C14(H14), C13(H13), C3(H3), C4(H4)
2.c Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C7(H7A,H7B,H7C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.76240(4) 0.74279(4) 0.57717(3) 0.03609(19) Uani 1 1 d . . . . .
P2 P 0.94885(19) 0.25267(19) 0.60103(12) 0.0560(5) Uani 1 1 d . . . . .
P1 P 0.43063(19) 0.7043(2) 0.77475(14) 0.0615(6) Uani 1 1 d . . . . .
F7 F 0.9914(4) 0.3355(4) 0.6673(3) 0.0743(14) Uani 1 1 d . . . . .
N5 N 0.9194(4) 0.7838(5) 0.6089(3) 0.0385(12) Uani 1 1 d . . . . .
N6 N 0.7998(5) 0.6284(5) 0.5067(3) 0.0448(14) Uani 1 1 d . . . . .
F3 F 0.4417(5) 0.6638(7) 0.8545(3) 0.099(2) Uani 1 1 d . . . . .
N4 N 0.7200(4) 0.8778(5) 0.5066(3) 0.0454(14) Uani 1 1 d . . . . .
F9 F 0.9089(5) 0.1671(7) 0.5371(3) 0.106(2) Uani 1 1 d . . . . .
N1 N 0.7250(4) 0.8634(5) 0.6476(3) 0.0423(13) Uani 1 1 d . . . . .
N3 N 0.6183(5) 0.6670(5) 0.5624(4) 0.0517(16) Uani 1 1 d . . . . .
F5 F 0.3286(5) 0.6335(5) 0.7480(3) 0.099(2) Uani 1 1 d . . . . .
N2 N 0.8009(5) 0.6380(5) 0.6673(3) 0.0450(14) Uani 1 1 d . . . . .
F11 F 0.9572(6) 0.1501(5) 0.6551(3) 0.0940(19) Uani 1 1 d . . . . .
F8 F 0.8347(5) 0.2761(7) 0.6073(5) 0.129(3) Uani 1 1 d . . . . .
F10 F 1.0686(5) 0.2290(6) 0.5988(4) 0.110(2) Uani 1 1 d . . . . .
F12 F 0.9483(8) 0.3563(8) 0.5493(4) 0.161(4) Uani 1 1 d . . . . .
F6 F 0.5359(5) 0.7753(6) 0.8044(5) 0.129(3) Uani 1 1 d . . . . .
F4 F 0.4996(7) 0.6018(8) 0.7626(4) 0.148(4) Uani 1 1 d . . . . .
C22 C 0.8199(6) 0.5672(6) 0.4665(4) 0.0476(17) Uani 1 1 d . . . . .
C21 C 0.9721(6) 0.8703(7) 0.5878(4) 0.0486(17) Uani 1 1 d . . . . .
H21 H 0.935159 0.920344 0.551490 0.058 Uiso 1 1 calc R U . . .
C19 C 1.1306(6) 0.8187(8) 0.6679(4) 0.054(2) Uani 1 1 d . . . . .
H19 H 1.202986 0.830773 0.688169 0.065 Uiso 1 1 calc R U . . .
C17 C 0.9735(6) 0.7116(7) 0.6601(4) 0.0455(16) Uani 1 1 d . . . . .
C18 C 1.0789(6) 0.7272(7) 0.6909(4) 0.0516(19) Uani 1 1 d . . . . .
H18 H 1.115240 0.676541 0.727055 0.062 Uiso 1 1 calc R U . . .
C20 C 1.0773(6) 0.8907(7) 0.6162(4) 0.0520(19) Uani 1 1 d . . . . .
H20 H 1.111501 0.953489 0.599962 0.062 Uiso 1 1 calc R U . . .
C16 C 0.9126(6) 0.6092(7) 0.6779(4) 0.0534(19) Uani 1 1 d . . . . .
H16A H 0.920452 0.543967 0.646639 0.064 Uiso 1 1 calc R U . . .
H16B H 0.941290 0.586015 0.728508 0.064 Uiso 1 1 calc R U . . .
C1 C 0.7012(6) 0.8823(8) 0.4357(4) 0.058(2) Uani 1 1 d . . . . .
H1 H 0.709737 0.814494 0.410402 0.069 Uiso 1 1 calc R U . . .
F1 F 0.4234(8) 0.7386(9) 0.6955(5) 0.165(4) Uani 1 1 d . . . . .
C9 C 0.7783(7) 0.7031(7) 0.7294(4) 0.0543(19) Uani 1 1 d . . . . .
H9A H 0.830227 0.681666 0.773825 0.065 Uiso 1 1 calc R U . . .
H9B H 0.708218 0.681173 0.735468 0.065 Uiso 1 1 calc R U . . .
C23 C 0.8449(7) 0.4887(7) 0.4133(4) 0.059(2) Uani 1 1 d . . . . .
H23A H 0.788646 0.490593 0.369407 0.089 Uiso 1 1 calc R U . . .
H23B H 0.852014 0.410782 0.432816 0.089 Uiso 1 1 calc R U . . .
H23C H 0.910759 0.512051 0.402004 0.089 Uiso 1 1 calc R U . . .
C11 C 0.6235(7) 0.5748(7) 0.6102(5) 0.057(2) Uani 1 1 d . . . . .
C15 C 0.5264(6) 0.6919(7) 0.5203(5) 0.059(2) Uani 1 1 d . . . . .
H15 H 0.523587 0.752395 0.486734 0.071 Uiso 1 1 calc R U . . .
C2 C 0.6700(7) 0.9803(9) 0.3968(5) 0.064(2) Uani 1 1 d . . . . .
H2 H 0.655349 0.978242 0.345821 0.077 Uiso 1 1 calc R U . . .
C10 C 0.7325(6) 0.5357(7) 0.6524(5) 0.060(2) Uani 1 1 d . . . . .
H10A H 0.727354 0.499029 0.698067 0.072 Uiso 1 1 calc R U . . .
H10B H 0.761814 0.479431 0.623847 0.072 Uiso 1 1 calc R U . . .
C12 C 0.5333(8) 0.5164(9) 0.6154(6) 0.075(3) Uani 1 1 d . . . . .
H12 H 0.536323 0.455725 0.648806 0.090 Uiso 1 1 calc R U . . .
C14 C 0.4327(7) 0.6360(8) 0.5213(6) 0.071(3) Uani 1 1 d . . . . .
H14 H 0.368182 0.656722 0.489704 0.086 Uiso 1 1 calc R U . . .
F2 F 0.3667(6) 0.8117(7) 0.7798(7) 0.192(6) Uani 1 1 d . . . . .
C13 C 0.4396(8) 0.5490(9) 0.5708(6) 0.080(3) Uani 1 1 d . . . . .
H13 H 0.377632 0.510058 0.574259 0.096 Uiso 1 1 calc R U . . .
C5 C 0.7144(8) 0.9788(9) 0.5417(5) 0.076(3) Uani 1 1 d . . . . .
C3 C 0.6600(7) 1.0790(10) 0.4307(6) 0.082(3) Uani 1 1 d . . . . .
H3 H 0.637068 1.146648 0.404179 0.098 Uiso 1 1 calc R U . . .
C8 C 0.7815(9) 0.8301(9) 0.7193(5) 0.080(3) Uani 1 1 d . . . . .
H8A H 0.750139 0.868575 0.755229 0.096 Uiso 1 1 calc R U . . .
H8B H 0.855145 0.855348 0.727339 0.096 Uiso 1 1 calc R U . . .
C7 C 0.6115(8) 0.8779(11) 0.6438(8) 0.115(5) Uani 1 1 d . . . . .
H7A H 0.576336 0.906975 0.596251 0.172 Uiso 1 1 calc R U . . .
H7B H 0.602297 0.932391 0.680767 0.172 Uiso 1 1 calc R U . . .
H7C H 0.581254 0.803945 0.652023 0.172 Uiso 1 1 calc R U . . .
C6 C 0.7525(8) 0.9745(8) 0.6233(6) 0.077(3) Uani 1 1 d . . . . .
H6A H 0.829187 0.985519 0.637462 0.093 Uiso 1 1 calc R U . . .
H6B H 0.718994 1.036037 0.645489 0.093 Uiso 1 1 calc R U . . .
C4 C 0.6837(9) 1.0797(9) 0.5045(7) 0.092(3) Uani 1 1 d . . . . .
H4 H 0.679151 1.148642 0.529828 0.110 Uiso 1 1 calc R U . . .


_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 N5 2.068(6) . ?
Ru1 N6 2.041(6) . ?
Ru1 N4 2.066(6) . ?
Ru1 N1 2.087(6) . ?
Ru1 N3 2.051(6) . ?
Ru1 N2 2.079(6) . ?
P2 F7 1.589(5) . ?
P2 F9 1.572(6) . ?
P2 F11 1.571(6) . ?
P2 F8 1.559(7) . ?
P2 F10 1.610(7) . ?
P2 F12 1.562(7) . ?
P1 F3 1.572(6) . ?
P1 F5 1.557(6) . ?
P1 F6 1.599(8) . ?
P1 F4 1.554(7) . ?
P1 F1 1.550(8) . ?
P1 F2 1.526(7) . ?
N5 C21 1.340(9) . ?
N5 C17 1.361(10) . ?
N6 C22 1.125(9) . ?
N4 C1 1.321(9) . ?
N4 C5 1.368(11) . ?
N1 C8 1.451(11) . ?
N1 C7 1.488(11) . ?
N1 C6 1.452(11) . ?
N3 C11 1.403(10) . ?
N3 C15 1.318(10) . ?
N2 C16 1.475(9) . ?
N2 C9 1.498(9) . ?
N2 C10 1.484(9) . ?
C22 C23 1.466(9) . ?
C21 H21 0.9500 . ?
C21 C20 1.383(10) . ?
C19 H19 0.9500 . ?
C19 C18 1.394(11) . ?
C19 C20 1.361(11) . ?
C17 C18 1.385(10) . ?
C17 C16 1.523(11) . ?
C18 H18 0.9500 . ?
C20 H20 0.9500 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C1 H1 0.9500 . ?
C1 C2 1.375(12) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C8 1.498(14) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C11 C10 1.540(12) . ?
C11 C12 1.393(12) . ?
C15 H15 0.9500 . ?
C15 C14 1.400(12) . ?
C2 H2 0.9500 . ?
C2 C3 1.344(14) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C12 H12 0.9500 . ?
C12 C13 1.377(14) . ?
C14 H14 0.9500 . ?
C14 C13 1.378(14) . ?
C13 H13 0.9500 . ?
C5 C6 1.525(14) . ?
C5 C4 1.387(13) . ?
C3 H3 0.9500 . ?
C3 C4 1.372(15) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C4 H4 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
N5 Ru1 N1 91.4(2) . . ?
N5 Ru1 N2 82.1(2) . . ?
N6 Ru1 N5 88.0(2) . . ?
N6 Ru1 N4 97.9(2) . . ?
N6 Ru1 N1 178.4(2) . . ?
N6 Ru1 N3 89.2(2) . . ?
N6 Ru1 N2 96.5(2) . . ?
N4 Ru1 N5 96.4(2) . . ?
N4 Ru1 N1 80.7(2) . . ?
N4 Ru1 N2 165.4(2) . . ?
N3 Ru1 N5 165.4(3) . . ?
N3 Ru1 N4 98.1(3) . . ?
N3 Ru1 N1 91.7(2) . . ?
N3 Ru1 N2 84.1(3) . . ?
N2 Ru1 N1 84.9(2) . . ?
F7 P2 F10 87.9(4) . . ?
F9 P2 F7 177.9(4) . . ?
F9 P2 F10 91.1(4) . . ?
F11 P2 F7 89.0(3) . . ?
F11 P2 F9 89.2(4) . . ?
F11 P2 F10 88.2(4) . . ?
F8 P2 F7 89.8(3) . . ?
F8 P2 F9 91.2(4) . . ?
F8 P2 F11 90.1(5) . . ?
F8 P2 F10 177.2(5) . . ?
F8 P2 F12 93.0(6) . . ?
F12 P2 F7 89.0(4) . . ?
F12 P2 F9 92.9(5) . . ?
F12 P2 F11 176.2(4) . . ?
F12 P2 F10 88.6(5) . . ?
F3 P1 F6 86.5(4) . . ?
F5 P1 F3 91.9(3) . . ?
F5 P1 F6 178.4(4) . . ?
F4 P1 F3 89.4(4) . . ?
F4 P1 F5 91.7(5) . . ?
F4 P1 F6 88.0(5) . . ?
F1 P1 F3 176.9(5) . . ?
F1 P1 F5 88.1(5) . . ?
F1 P1 F6 93.5(5) . . ?
F1 P1 F4 87.5(5) . . ?
F2 P1 F3 96.5(6) . . ?
F2 P1 F5 90.7(5) . . ?
F2 P1 F6 89.7(4) . . ?
F2 P1 F4 173.6(7) . . ?
F2 P1 F1 86.7(6) . . ?
C21 N5 Ru1 129.7(5) . . ?
C21 N5 C17 117.7(6) . . ?
C17 N5 Ru1 112.6(5) . . ?
C22 N6 Ru1 178.4(6) . . ?
C1 N4 Ru1 131.2(6) . . ?
C1 N4 C5 116.7(7) . . ?
C5 N4 Ru1 112.1(5) . . ?
C8 N1 Ru1 106.4(5) . . ?
C8 N1 C7 111.1(8) . . ?
C8 N1 C6 115.6(7) . . ?
C7 N1 Ru1 115.6(5) . . ?
C6 N1 Ru1 106.5(5) . . ?
C6 N1 C7 101.8(8) . . ?
C11 N3 Ru1 109.9(5) . . ?
C15 N3 Ru1 132.3(6) . . ?
C15 N3 C11 117.7(7) . . ?
C16 N2 Ru1 106.8(4) . . ?
C16 N2 C9 112.6(6) . . ?
C16 N2 C10 112.5(6) . . ?
C9 N2 Ru1 107.7(5) . . ?
C10 N2 Ru1 107.3(5) . . ?
C10 N2 C9 109.7(6) . . ?
N6 C22 C23 179.0(9) . . ?
N5 C21 H21 118.2 . . ?
N5 C21 C20 123.6(8) . . ?
C20 C21 H21 118.2 . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C20 C19 C18 119.8(7) . . ?
N5 C17 C18 121.7(7) . . ?
N5 C17 C16 115.8(6) . . ?
C18 C17 C16 122.3(7) . . ?
C19 C18 H18 120.6 . . ?
C17 C18 C19 118.8(8) . . ?
C17 C18 H18 120.6 . . ?
C21 C20 H20 120.8 . . ?
C19 C20 C21 118.4(8) . . ?
C19 C20 H20 120.8 . . ?
N2 C16 C17 110.4(6) . . ?
N2 C16 H16A 109.6 . . ?
N2 C16 H16B 109.6 . . ?
C17 C16 H16A 109.6 . . ?
C17 C16 H16B 109.6 . . ?
H16A C16 H16B 108.1 . . ?
N4 C1 H1 118.3 . . ?
N4 C1 C2 123.3(9) . . ?
C2 C1 H1 118.3 . . ?
N2 C9 H9A 109.1 . . ?
N2 C9 H9B 109.1 . . ?
N2 C9 C8 112.6(6) . . ?
H9A C9 H9B 107.8 . . ?
C8 C9 H9A 109.1 . . ?
C8 C9 H9B 109.1 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N3 C11 C10 117.8(7) . . ?
C12 C11 N3 120.7(9) . . ?
C12 C11 C10 121.4(8) . . ?
N3 C15 H15 117.5 . . ?
N3 C15 C14 124.9(10) . . ?
C14 C15 H15 117.5 . . ?
C1 C2 H2 119.9 . . ?
C3 C2 C1 120.2(9) . . ?
C3 C2 H2 119.9 . . ?
N2 C10 C11 108.0(7) . . ?
N2 C10 H10A 110.1 . . ?
N2 C10 H10B 110.1 . . ?
C11 C10 H10A 110.1 . . ?
C11 C10 H10B 110.1 . . ?
H10A C10 H10B 108.4 . . ?
C11 C12 H12 120.9 . . ?
C13 C12 C11 118.3(10) . . ?
C13 C12 H12 120.9 . . ?
C15 C14 H14 122.0 . . ?
C13 C14 C15 116.0(9) . . ?
C13 C14 H14 122.0 . . ?
C12 C13 C14 122.3(9) . . ?
C12 C13 H13 118.8 . . ?
C14 C13 H13 118.8 . . ?
N4 C5 C6 115.5(8) . . ?
N4 C5 C4 121.6(9) . . ?
C4 C5 C6 122.6(10) . . ?
C2 C3 H3 120.8 . . ?
C2 C3 C4 118.5(9) . . ?
C4 C3 H3 120.8 . . ?
N1 C8 C9 111.4(7) . . ?
N1 C8 H8A 109.4 . . ?
N1 C8 H8B 109.4 . . ?
C9 C8 H8A 109.4 . . ?
C9 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C6 C5 108.1(8) . . ?
N1 C6 H6A 110.1 . . ?
N1 C6 H6B 110.1 . . ?
C5 C6 H6A 110.1 . . ?
C5 C6 H6B 110.1 . . ?
H6A C6 H6B 108.4 . . ?
C5 C4 H4 120.3 . . ?
C3 C4 C5 119.4(11) . . ?
C3 C4 H4 120.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N5 C21 C20 176.9(5) . . . . ?
Ru1 N5 C17 C18 -177.2(5) . . . . ?
Ru1 N5 C17 C16 6.5(8) . . . . ?
Ru1 N4 C1 C2 177.7(6) . . . . ?
Ru1 N4 C5 C6 7.0(10) . . . . ?
Ru1 N4 C5 C4 -177.7(9) . . . . ?
Ru1 N1 C8 C9 -41.3(9) . . . . ?
Ru1 N1 C6 C5 43.9(8) . . . . ?
Ru1 N3 C11 C10 -10.3(8) . . . . ?
Ru1 N3 C11 C12 173.8(7) . . . . ?
Ru1 N3 C15 C14 -174.3(6) . . . . ?
Ru1 N2 C16 C17 37.5(7) . . . . ?
Ru1 N2 C9 C8 -24.9(8) . . . . ?
Ru1 N2 C10 C11 -37.8(7) . . . . ?
N5 C21 C20 C19 0.5(11) . . . . ?
N5 C17 C18 C19 -0.8(11) . . . . ?
N5 C17 C16 N2 -30.3(9) . . . . ?
N4 C1 C2 C3 2.0(14) . . . . ?
N4 C5 C6 N1 -35.0(11) . . . . ?
N4 C5 C4 C3 -1.1(17) . . . . ?
N3 C11 C10 N2 33.3(10) . . . . ?
N3 C11 C12 C13 2.2(13) . . . . ?
N3 C15 C14 C13 0.2(13) . . . . ?
N2 C9 C8 N1 45.8(10) . . . . ?
C21 N5 C17 C18 1.2(10) . . . . ?
C21 N5 C17 C16 -175.2(6) . . . . ?
C17 N5 C21 C20 -1.0(10) . . . . ?
C18 C19 C20 C21 -0.1(11) . . . . ?
C18 C17 C16 N2 153.3(7) . . . . ?
C20 C19 C18 C17 0.2(11) . . . . ?
C16 N2 C9 C8 92.6(8) . . . . ?
C16 N2 C10 C11 -155.0(6) . . . . ?
C16 C17 C18 C19 175.4(7) . . . . ?
C1 N4 C5 C6 -171.0(8) . . . . ?
C1 N4 C5 C4 4.2(14) . . . . ?
C1 C2 C3 C4 1.3(15) . . . . ?
C9 N2 C16 C17 -80.5(7) . . . . ?
C9 N2 C10 C11 78.8(8) . . . . ?
C11 N3 C15 C14 2.4(12) . . . . ?
C11 C12 C13 C14 0.6(15) . . . . ?
C15 N3 C11 C10 172.3(7) . . . . ?
C15 N3 C11 C12 -3.6(11) . . . . ?
C15 C14 C13 C12 -1.8(14) . . . . ?
C2 C3 C4 C5 -1.7(17) . . . . ?
C10 N2 C16 C17 154.9(6) . . . . ?
C10 N2 C9 C8 -141.3(7) . . . . ?
C10 C11 C12 C13 -173.6(8) . . . . ?
C12 C11 C10 N2 -150.8(8) . . . . ?
C5 N4 C1 C2 -4.7(12) . . . . ?
C8 N1 C6 C5 161.9(7) . . . . ?
C7 N1 C8 C9 85.3(9) . . . . ?
C7 N1 C6 C5 -77.6(9) . . . . ?
C6 N1 C8 C9 -159.3(7) . . . . ?
C6 C5 C4 C3 173.7(10) . . . . ?
C4 C5 C6 N1 149.8(10) . . . . ?

_olex2_date_sample_completion    2021-02-17
_olex2_date_sample_data_collection 2021-02-17
_olex2_date_sample_submission    2021-02-17
_olex2_submission_special_instructions 'No special instructions were received'
