# 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. 
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data_25novc_0m
_database_code_depnum_ccdc_archive 'CCDC 2114499'
loop_
_audit_author_name
_audit_author_address
'Rakesh Kumar'
;Indian Institute of Technology Kanpur India
India
;
_audit_update_record             
;
2022-07-21 deposited with the CCDC.	2022-07-26 downloaded from the CCDC.
;
_audit_creation_date             2022-07-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H32 N6 Ru, 2(F6 P)'
_chemical_formula_sum            'C29 H32 F12 N6 P2 Ru'
_chemical_formula_weight         855.61
_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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   17.8918(13)
_cell_length_b                   18.6494(14)
_cell_length_c                   19.6329(15)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6550.9(8)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9837
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.18
_shelx_estimated_absorpt_T_max   0.899
_shelx_estimated_absorpt_T_min   0.876
_exptl_absorpt_coefficient_mu    0.678
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6288
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1329 before and 0.0671 after correction. The Ratio of minimum to maximum transmission is 0.8432. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3440
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_unetI/netI     0.0285
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            71914
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.045
_diffrn_reflns_theta_max         25.045
_diffrn_reflns_theta_min         2.673
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4836
_reflns_number_total             5797
_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 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.584
_refine_diff_density_min         -0.447
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         5797
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0364
_refine_ls_restrained_S_all      1.095
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0161P)²+18.8001P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0718
_refine_ls_wR_factor_ref         0.0792
_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:
 C9(H9A,H9B), C3(H3A,H3B), C2(H2A,H2B), C21(H21A,H21B), C1(H1A,H1B), C15(H15A,
 H15B)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C8(H8), C27(H27), C19(H19), C26(H26), C20(H20), C7(H7), C25(H25),
 C11(H11), C18(H18), C6(H6), C17(H17), C14(H14), C12(H12), C13(H13), C24(H24),
 C23(H23)
2.c Idealised Me refined as rotating group:
 C29(H29A,H29B,H29C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.29767(2) 0.65035(2) 0.64619(2) 0.01500(8) Uani 1 1 d . . . . .
P1 P 0.52504(5) 0.45362(5) 0.84243(5) 0.0227(2) Uani 1 1 d . . . . .
P2 P 0.14714(6) 0.66218(6) 0.91641(5) 0.0304(2) Uani 1 1 d . . . . .
F11 F 0.55764(11) 0.52674(10) 0.81157(10) 0.0261(5) Uani 1 1 d . . . . .
F8 F 0.49285(12) 0.38019(11) 0.87263(11) 0.0348(5) Uani 1 1 d . . . . .
F7 F 0.44260(12) 0.47542(11) 0.81821(11) 0.0338(5) Uani 1 1 d . . . . .
F1 F 0.06543(12) 0.63488(12) 0.93654(11) 0.0343(5) Uani 1 1 d . . . . .
F12 F 0.53896(14) 0.41447(11) 0.77085(11) 0.0406(6) Uani 1 1 d . . . . .
F10 F 0.60751(12) 0.43153(12) 0.86605(13) 0.0437(6) Uani 1 1 d . . . . .
F9 F 0.51120(13) 0.49187(12) 0.91366(11) 0.0372(5) Uani 1 1 d . . . . .
F3 F 0.11184(13) 0.73673(12) 0.89214(12) 0.0417(6) Uani 1 1 d . . . . .
N1 N 0.34723(15) 0.72306(14) 0.58050(13) 0.0173(6) Uani 1 1 d . . . . .
N3 N 0.23154(14) 0.73784(15) 0.66960(13) 0.0185(6) Uani 1 1 d . . . . .
F2 F 0.15687(12) 0.69290(15) 0.99162(11) 0.0459(6) Uani 1 1 d . . . . .
N5 N 0.37540(15) 0.57100(14) 0.62538(13) 0.0177(6) Uani 1 1 d . . . . .
F6 F 0.18107(14) 0.58762(15) 0.93960(13) 0.0544(7) Uani 1 1 d . . . . .
F5 F 0.13627(15) 0.63087(12) 0.84119(11) 0.0469(6) Uani 1 1 d . . . . .
N2 N 0.38152(15) 0.68248(14) 0.71775(13) 0.0156(6) Uani 1 1 d . . . . .
N4 N 0.23734(15) 0.62712(15) 0.55961(14) 0.0206(6) Uani 1 1 d . . . . .
F4 F 0.22839(14) 0.69041(15) 0.89726(14) 0.0562(7) Uani 1 1 d . . . . .
N6 N 0.24954(15) 0.57896(15) 0.71070(14) 0.0197(6) Uani 1 1 d . . . . .
C4 C 0.24859(18) 0.79883(18) 0.63584(16) 0.0186(7) Uani 1 1 d . . . . .
C9 C 0.34521(19) 0.68936(18) 0.51142(16) 0.0209(7) Uani 1 1 d . . . . .
H9A H 0.386144 0.653932 0.507123 0.025 Uiso 1 1 calc R . . . .
H9B H 0.352219 0.726534 0.475992 0.025 Uiso 1 1 calc R . . . .
C3 C 0.30451(18) 0.79220(17) 0.57913(16) 0.0190(7) Uani 1 1 d . . . . .
H3A H 0.278036 0.796162 0.535012 0.023 Uiso 1 1 calc R . . . .
H3B H 0.340266 0.832586 0.582132 0.023 Uiso 1 1 calc R . . . .
C10 C 0.27043(19) 0.65254(18) 0.50161(17) 0.0210(7) Uani 1 1 d . . . . .
C5 C 0.2150(2) 0.86344(19) 0.65108(18) 0.0260(8) Uani 1 1 d . . . . .
H5 H 0.228200 0.905543 0.626647 0.031 Uiso 1 1 calc R . . . .
C2 C 0.42180(18) 0.74304(18) 0.68298(16) 0.0192(7) Uani 1 1 d . . . . .
H2A H 0.473208 0.746465 0.701342 0.023 Uiso 1 1 calc R . . . .
H2B H 0.395816 0.788660 0.693187 0.023 Uiso 1 1 calc R . . . .
C8 C 0.17909(18) 0.7413(2) 0.71910(17) 0.0232(8) Uani 1 1 d . . . . .
H8 H 0.166306 0.698570 0.742718 0.028 Uiso 1 1 calc R . . . .
C27 C 0.45757(19) 0.77046(18) 0.84840(17) 0.0216(7) Uani 1 1 d . . . . .
H27 H 0.454860 0.808784 0.816619 0.026 Uiso 1 1 calc R . . . .
C21 C 0.35200(18) 0.70644(18) 0.78602(16) 0.0182(7) Uani 1 1 d . . . . .
H21A H 0.312911 0.672139 0.800592 0.022 Uiso 1 1 calc R . . . .
H21B H 0.327644 0.753694 0.780060 0.022 Uiso 1 1 calc R . . . .
C19 C 0.4308(2) 0.47412(19) 0.56328(18) 0.0277(8) Uani 1 1 d . . . . .
H19 H 0.427579 0.440563 0.526994 0.033 Uiso 1 1 calc R . . . .
C16 C 0.43540(19) 0.57060(17) 0.66766(16) 0.0189(7) Uani 1 1 d . . . . .
C26 C 0.5103(2) 0.7723(2) 0.90046(17) 0.0260(8) Uani 1 1 d . . . . .
H26 H 0.543917 0.811590 0.903527 0.031 Uiso 1 1 calc R . . . .
C20 C 0.3743(2) 0.52228(18) 0.57449(17) 0.0231(8) Uani 1 1 d . . . . .
H20 H 0.332250 0.521374 0.544976 0.028 Uiso 1 1 calc R . . . .
C22 C 0.40889(19) 0.71283(18) 0.84281(16) 0.0194(7) Uani 1 1 d . . . . .
C7 C 0.14344(19) 0.8039(2) 0.73678(18) 0.0260(8) Uani 1 1 d . . . . .
H7 H 0.106919 0.804419 0.771895 0.031 Uiso 1 1 calc R . . . .
C25 C 0.51447(19) 0.7177(2) 0.94760(17) 0.0264(8) Uani 1 1 d . . . . .
H25 H 0.550819 0.719218 0.982840 0.032 Uiso 1 1 calc R . . . .
C29 C 0.2018(2) 0.47992(19) 0.79333(19) 0.0292(8) Uani 1 1 d . . . . .
H29A H 0.157148 0.456661 0.774740 0.044 Uiso 1 1 calc GR . . . .
H29B H 0.189804 0.501698 0.837417 0.044 Uiso 1 1 calc GR . . . .
H29C H 0.241403 0.444161 0.799391 0.044 Uiso 1 1 calc GR . . . .
C11 C 0.2389(2) 0.64260(19) 0.43839(17) 0.0251(8) Uani 1 1 d . . . . .
H11 H 0.261978 0.661969 0.398867 0.030 Uiso 1 1 calc R . . . .
C1 C 0.42550(18) 0.73289(18) 0.60642(16) 0.0198(7) Uani 1 1 d . . . . .
H1A H 0.448690 0.775367 0.584795 0.024 Uiso 1 1 calc R . . . .
H1B H 0.456121 0.690256 0.595279 0.024 Uiso 1 1 calc R . . . .
C18 C 0.4922(2) 0.47513(19) 0.60543(18) 0.0271(8) Uani 1 1 d . . . . .
H18 H 0.532389 0.442705 0.598256 0.033 Uiso 1 1 calc R . . . .
C15 C 0.43156(19) 0.61956(18) 0.72816(16) 0.0209(7) Uani 1 1 d . . . . .
H15A H 0.413615 0.591928 0.767990 0.025 Uiso 1 1 calc R . . . .
H15B H 0.482520 0.636996 0.738714 0.025 Uiso 1 1 calc R . . . .
C6 C 0.1619(2) 0.8664(2) 0.70228(19) 0.0293(9) Uani 1 1 d . . . . .
H6 H 0.138454 0.910543 0.713622 0.035 Uiso 1 1 calc R . . . .
C17 C 0.4947(2) 0.52400(18) 0.65842(17) 0.0235(8) Uani 1 1 d . . . . .
H17 H 0.536570 0.525521 0.688104 0.028 Uiso 1 1 calc R . . . .
C14 C 0.17324(19) 0.59095(19) 0.55328(18) 0.0240(8) Uani 1 1 d . . . . .
H14 H 0.149445 0.573936 0.593403 0.029 Uiso 1 1 calc R . . . .
C28 C 0.22725(19) 0.53523(18) 0.74647(18) 0.0226(8) Uani 1 1 d . . . . .
C12 C 0.1730(2) 0.6039(2) 0.43325(19) 0.0302(9) Uani 1 1 d . . . . .
H12 H 0.150777 0.595850 0.389979 0.036 Uiso 1 1 calc R . . . .
C13 C 0.1400(2) 0.5772(2) 0.49135(18) 0.0264(8) Uani 1 1 d . . . . .
H13 H 0.095321 0.549825 0.488759 0.032 Uiso 1 1 calc R . . . .
C24 C 0.4654(2) 0.66067(19) 0.94327(17) 0.0252(8) Uani 1 1 d . . . . .
H24 H 0.467324 0.623259 0.976063 0.030 Uiso 1 1 calc R . . . .
C23 C 0.4133(2) 0.65804(19) 0.89123(17) 0.0237(8) Uani 1 1 d . . . . .
H23 H 0.380125 0.618412 0.888337 0.028 Uiso 1 1 calc R . . . .


_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 N1 2.071(3) . ?
Ru1 N3 2.067(3) . ?
Ru1 N5 2.071(3) . ?
Ru1 N2 2.141(3) . ?
Ru1 N4 2.060(3) . ?
Ru1 N6 2.029(3) . ?
P1 F11 1.602(2) . ?
P1 F8 1.600(2) . ?
P1 F7 1.602(2) . ?
P1 F12 1.603(2) . ?
P1 F10 1.601(2) . ?
P1 F9 1.589(2) . ?
P2 F1 1.598(2) . ?
P2 F3 1.600(2) . ?
P2 F2 1.593(2) . ?
P2 F6 1.584(3) . ?
P2 F5 1.600(2) . ?
P2 F4 1.591(3) . ?
N1 C9 1.495(4) . ?
N1 C3 1.499(4) . ?
N1 C1 1.501(4) . ?
N3 C4 1.351(4) . ?
N3 C8 1.353(4) . ?
N5 C16 1.357(4) . ?
N5 C20 1.351(4) . ?
N2 C2 1.504(4) . ?
N2 C21 1.508(4) . ?
N2 C15 1.490(4) . ?
N4 C10 1.368(4) . ?
N4 C14 1.336(4) . ?
N6 C28 1.148(4) . ?
C4 C3 1.502(4) . ?
C4 C5 1.379(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.516(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C10 C11 1.376(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.384(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C1 1.516(4) . ?
C8 H8 0.9500 . ?
C8 C7 1.375(5) . ?
C27 H27 0.9500 . ?
C27 C26 1.392(5) . ?
C27 C22 1.388(5) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.515(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.370(5) . ?
C19 C18 1.376(5) . ?
C16 C15 1.500(4) . ?
C16 C17 1.383(5) . ?
C26 H26 0.9500 . ?
C26 C25 1.378(5) . ?
C20 H20 0.9500 . ?
C22 C23 1.398(5) . ?
C7 H7 0.9500 . ?
C7 C6 1.388(5) . ?
C25 H25 0.9500 . ?
C25 C24 1.382(5) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C29 C28 1.455(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.386(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C18 H18 0.9500 . ?
C18 C17 1.384(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C6 H6 0.9500 . ?
C17 H17 0.9500 . ?
C14 H14 0.9500 . ?
C14 C13 1.378(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.378(5) . ?
C13 H13 0.9500 . ?
C24 H24 0.9500 . ?
C24 C23 1.383(5) . ?
C23 H23 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
N1 Ru1 N5 93.29(10) . . ?
N1 Ru1 N2 85.72(10) . . ?
N3 Ru1 N1 82.34(11) . . ?
N3 Ru1 N5 172.74(10) . . ?
N3 Ru1 N2 91.97(10) . . ?
N5 Ru1 N2 81.89(10) . . ?
N4 Ru1 N1 81.26(11) . . ?
N4 Ru1 N3 92.84(11) . . ?
N4 Ru1 N5 92.22(11) . . ?
N4 Ru1 N2 165.39(10) . . ?
N6 Ru1 N1 179.76(12) . . ?
N6 Ru1 N3 97.83(11) . . ?
N6 Ru1 N5 86.52(11) . . ?
N6 Ru1 N2 94.10(10) . . ?
N6 Ru1 N4 98.90(11) . . ?
F11 P1 F7 90.40(11) . . ?
F11 P1 F12 89.98(11) . . ?
F8 P1 F11 179.44(13) . . ?
F8 P1 F7 89.75(12) . . ?
F8 P1 F12 89.48(12) . . ?
F8 P1 F10 90.25(12) . . ?
F7 P1 F12 89.91(13) . . ?
F10 P1 F11 89.60(12) . . ?
F10 P1 F7 179.54(15) . . ?
F10 P1 F12 89.63(14) . . ?
F9 P1 F11 90.42(12) . . ?
F9 P1 F8 90.12(12) . . ?
F9 P1 F7 90.22(13) . . ?
F9 P1 F12 179.58(13) . . ?
F9 P1 F10 90.24(14) . . ?
F1 P2 F3 89.39(12) . . ?
F1 P2 F5 90.04(13) . . ?
F3 P2 F5 89.68(13) . . ?
F2 P2 F1 89.15(12) . . ?
F2 P2 F3 90.38(14) . . ?
F2 P2 F5 179.19(15) . . ?
F6 P2 F1 89.99(13) . . ?
F6 P2 F3 178.98(16) . . ?
F6 P2 F2 90.42(15) . . ?
F6 P2 F5 89.51(14) . . ?
F6 P2 F4 90.47(15) . . ?
F4 P2 F1 179.05(15) . . ?
F4 P2 F3 90.16(14) . . ?
F4 P2 F2 90.01(14) . . ?
F4 P2 F5 90.79(14) . . ?
C9 N1 Ru1 106.22(19) . . ?
C9 N1 C3 109.4(2) . . ?
C9 N1 C1 112.4(3) . . ?
C3 N1 Ru1 110.85(19) . . ?
C3 N1 C1 112.1(3) . . ?
C1 N1 Ru1 105.56(19) . . ?
C4 N3 Ru1 115.2(2) . . ?
C4 N3 C8 118.0(3) . . ?
C8 N3 Ru1 126.5(2) . . ?
C16 N5 Ru1 114.5(2) . . ?
C20 N5 Ru1 128.1(2) . . ?
C20 N5 C16 117.4(3) . . ?
C2 N2 Ru1 104.37(18) . . ?
C2 N2 C21 110.4(2) . . ?
C21 N2 Ru1 114.88(19) . . ?
C15 N2 Ru1 106.89(19) . . ?
C15 N2 C2 111.5(3) . . ?
C15 N2 C21 108.8(2) . . ?
C10 N4 Ru1 112.8(2) . . ?
C14 N4 Ru1 129.2(2) . . ?
C14 N4 C10 118.0(3) . . ?
C28 N6 Ru1 174.6(3) . . ?
N3 C4 C3 116.4(3) . . ?
N3 C4 C5 122.0(3) . . ?
C5 C4 C3 121.5(3) . . ?
N1 C9 H9A 109.9 . . ?
N1 C9 H9B 109.9 . . ?
N1 C9 C10 109.1(3) . . ?
H9A C9 H9B 108.3 . . ?
C10 C9 H9A 109.9 . . ?
C10 C9 H9B 109.9 . . ?
N1 C3 C4 113.4(3) . . ?
N1 C3 H3A 108.9 . . ?
N1 C3 H3B 108.9 . . ?
C4 C3 H3A 108.9 . . ?
C4 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
N4 C10 C9 115.7(3) . . ?
N4 C10 C11 121.8(3) . . ?
C11 C10 C9 122.5(3) . . ?
C4 C5 H5 120.3 . . ?
C4 C5 C6 119.5(3) . . ?
C6 C5 H5 120.3 . . ?
N2 C2 H2A 109.2 . . ?
N2 C2 H2B 109.2 . . ?
N2 C2 C1 112.2(3) . . ?
H2A C2 H2B 107.9 . . ?
C1 C2 H2A 109.2 . . ?
C1 C2 H2B 109.2 . . ?
N3 C8 H8 118.5 . . ?
N3 C8 C7 122.9(3) . . ?
C7 C8 H8 118.5 . . ?
C26 C27 H27 119.9 . . ?
C22 C27 H27 119.9 . . ?
C22 C27 C26 120.2(3) . . ?
N2 C21 H21A 108.2 . . ?
N2 C21 H21B 108.2 . . ?
N2 C21 C22 116.2(3) . . ?
H21A C21 H21B 107.4 . . ?
C22 C21 H21A 108.2 . . ?
C22 C21 H21B 108.2 . . ?
C20 C19 H19 120.5 . . ?
C20 C19 C18 118.9(3) . . ?
C18 C19 H19 120.5 . . ?
N5 C16 C15 116.4(3) . . ?
N5 C16 C17 122.0(3) . . ?
C17 C16 C15 121.4(3) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 C27 120.8(3) . . ?
C25 C26 H26 119.6 . . ?
N5 C20 C19 123.3(3) . . ?
N5 C20 H20 118.3 . . ?
C19 C20 H20 118.3 . . ?
C27 C22 C21 122.7(3) . . ?
C27 C22 C23 118.5(3) . . ?
C23 C22 C21 118.8(3) . . ?
C8 C7 H7 120.7 . . ?
C8 C7 C6 118.7(3) . . ?
C6 C7 H7 120.7 . . ?
C26 C25 H25 120.2 . . ?
C26 C25 C24 119.5(3) . . ?
C24 C25 H25 120.2 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
C10 C11 H11 120.5 . . ?
C10 C11 C12 119.0(3) . . ?
C12 C11 H11 120.5 . . ?
N1 C1 C2 108.1(3) . . ?
N1 C1 H1A 110.1 . . ?
N1 C1 H1B 110.1 . . ?
C2 C1 H1A 110.1 . . ?
C2 C1 H1B 110.1 . . ?
H1A C1 H1B 108.4 . . ?
C19 C18 H18 120.4 . . ?
C19 C18 C17 119.1(3) . . ?
C17 C18 H18 120.4 . . ?
N2 C15 C16 113.5(3) . . ?
N2 C15 H15A 108.9 . . ?
N2 C15 H15B 108.9 . . ?
C16 C15 H15A 108.9 . . ?
C16 C15 H15B 108.9 . . ?
H15A C15 H15B 107.7 . . ?
C5 C6 C7 118.9(3) . . ?
C5 C6 H6 120.5 . . ?
C7 C6 H6 120.5 . . ?
C16 C17 C18 119.2(3) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 120.4 . . ?
N4 C14 H14 118.4 . . ?
N4 C14 C13 123.1(3) . . ?
C13 C14 H14 118.4 . . ?
N6 C28 C29 177.7(4) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 C11 119.5(3) . . ?
C13 C12 H12 120.2 . . ?
C14 C13 C12 118.6(3) . . ?
C14 C13 H13 120.7 . . ?
C12 C13 H13 120.7 . . ?
C25 C24 H24 120.0 . . ?
C25 C24 C23 120.0(3) . . ?
C23 C24 H24 120.0 . . ?
C22 C23 H23 119.5 . . ?
C24 C23 C22 121.0(3) . . ?
C24 C23 H23 119.5 . . ?

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 N1 C9 C10 40.8(3) . . . . ?
Ru1 N1 C3 C4 13.4(3) . . . . ?
Ru1 N1 C1 C2 -45.9(3) . . . . ?
Ru1 N3 C4 C3 8.9(3) . . . . ?
Ru1 N3 C4 C5 -172.9(3) . . . . ?
Ru1 N3 C8 C7 172.2(2) . . . . ?
Ru1 N5 C16 C15 8.4(4) . . . . ?
Ru1 N5 C16 C17 -176.0(3) . . . . ?
Ru1 N5 C20 C19 176.6(3) . . . . ?
Ru1 N2 C2 C1 -33.5(3) . . . . ?
Ru1 N2 C21 C22 166.2(2) . . . . ?
Ru1 N2 C15 C16 28.2(3) . . . . ?
Ru1 N4 C10 C9 2.5(4) . . . . ?
Ru1 N4 C10 C11 -180.0(3) . . . . ?
Ru1 N4 C14 C13 -177.7(3) . . . . ?
N1 C9 C10 N4 -29.6(4) . . . . ?
N1 C9 C10 C11 152.8(3) . . . . ?
N3 C4 C3 N1 -14.9(4) . . . . ?
N3 C4 C5 C6 -0.3(5) . . . . ?
N3 C8 C7 C6 0.1(5) . . . . ?
N5 C16 C15 N2 -25.6(4) . . . . ?
N5 C16 C17 C18 -1.5(5) . . . . ?
N2 C2 C1 N1 55.2(3) . . . . ?
N2 C21 C22 C27 77.8(4) . . . . ?
N2 C21 C22 C23 -101.4(4) . . . . ?
N4 C10 C11 C12 -2.0(5) . . . . ?
N4 C14 C13 C12 -2.2(6) . . . . ?
C4 N3 C8 C7 -0.8(5) . . . . ?
C4 C5 C6 C7 -0.4(5) . . . . ?
C9 N1 C3 C4 130.2(3) . . . . ?
C9 N1 C1 C2 -161.2(3) . . . . ?
C9 C10 C11 C12 175.4(3) . . . . ?
C3 N1 C9 C10 -78.9(3) . . . . ?
C3 N1 C1 C2 74.9(3) . . . . ?
C3 C4 C5 C6 177.8(3) . . . . ?
C10 N4 C14 C13 1.2(5) . . . . ?
C10 C11 C12 C13 0.9(5) . . . . ?
C5 C4 C3 N1 166.9(3) . . . . ?
C2 N2 C21 C22 -76.2(3) . . . . ?
C2 N2 C15 C16 -85.3(3) . . . . ?
C8 N3 C4 C3 -177.3(3) . . . . ?
C8 N3 C4 C5 0.8(5) . . . . ?
C8 C7 C6 C5 0.5(5) . . . . ?
C27 C26 C25 C24 -0.3(5) . . . . ?
C27 C22 C23 C24 -0.5(5) . . . . ?
C21 N2 C2 C1 -157.4(3) . . . . ?
C21 N2 C15 C16 152.7(3) . . . . ?
C21 C22 C23 C24 178.7(3) . . . . ?
C19 C18 C17 C16 0.0(5) . . . . ?
C16 N5 C20 C19 -1.1(5) . . . . ?
C26 C27 C22 C21 -177.9(3) . . . . ?
C26 C27 C22 C23 1.3(5) . . . . ?
C26 C25 C24 C23 1.1(5) . . . . ?
C20 N5 C16 C15 -173.5(3) . . . . ?
C20 N5 C16 C17 2.0(5) . . . . ?
C20 C19 C18 C17 0.9(5) . . . . ?
C22 C27 C26 C25 -0.9(5) . . . . ?
C25 C24 C23 C22 -0.7(5) . . . . ?
C11 C12 C13 C14 1.1(6) . . . . ?
C1 N1 C9 C10 155.8(3) . . . . ?
C1 N1 C3 C4 -104.3(3) . . . . ?
C18 C19 C20 N5 -0.4(5) . . . . ?
C15 N2 C2 C1 81.6(3) . . . . ?
C15 N2 C21 C22 46.4(4) . . . . ?
C15 C16 C17 C18 173.8(3) . . . . ?
C17 C16 C15 N2 158.8(3) . . . . ?
C14 N4 C10 C9 -176.6(3) . . . . ?
C14 N4 C10 C11 0.9(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
