# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_rubpy
_database_code_depnum_ccdc_archive 'CCDC 2325720'
loop_
_audit_author_name
_audit_author_address
'Nattamai S. P. Bhuvanesh'
;Xray Diffraction Lab Department of Chemistry Texas AM University
United States of America
;
_audit_update_record             
;
2024-01-16 deposited with the CCDC.	2024-03-06 downloaded from the CCDC.
;
_audit_creation_date             2022-06-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H35 Cl N3 Ru, F6 P'
_chemical_formula_sum            'C36 H35 Cl F6 N3 P Ru'
_chemical_formula_weight         791.16
_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'
Cl Cl 0.1484 0.1585 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_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'
'-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                   27.4244(10)
_cell_length_b                   10.1468(4)
_cell_length_c                   26.5011(10)
_cell_angle_alpha                90
_cell_angle_beta                 110.5910(10)
_cell_angle_gamma                90
_cell_volume                     6903.3(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9961
_cell_measurement_temperature    110.00
_cell_measurement_theta_max      27.483
_cell_measurement_theta_min      2.406
_shelx_estimated_absorpt_T_max   0.974
_shelx_estimated_absorpt_T_min   0.785
_exptl_absorpt_coefficient_mu    0.641
_exptl_absorpt_correction_T_max  0.4305
_exptl_absorpt_correction_T_min  0.3845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1321 before and 0.0664 after correction.
The Ratio of minimum to maximum transmission is 0.8931.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3216
_exptl_crystal_size_max          0.397
_exptl_crystal_size_mid          0.342
_exptl_crystal_size_min          0.042
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_unetI/netI     0.0324
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            70636
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.507
_diffrn_reflns_theta_min         1.839
_diffrn_ambient_temperature      110.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_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                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6564
_reflns_number_total             7919
_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  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.448
_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         7919
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0253
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0229P)²+5.3425P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0554
_refine_ls_wR_factor_ref         0.0576
_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 Ternary CH refined with riding coordinates:
 C1(H1), C33(H33)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12), C13(H13),
 C14(H14), C16(H16), C17(H17), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24),
  C25(H25), C26(H26), C28(H28), C29(H29), C31(H31), C32(H32)
2.d Idealised Me refined as rotating group:
 C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C)
;
_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 0.71045(2) 1.03242(2) 0.40196(2) 0.01183(4) Uani 1 1 d . . . . .
Cl1 Cl 0.74004(2) 0.98213(4) 0.49620(2) 0.01874(9) Uani 1 1 d . . . . .
N1 N 0.65329(5) 0.76093(14) 0.36367(6) 0.0158(3) Uani 1 1 d . . . . .
N2 N 0.69926(5) 0.83089(14) 0.38781(5) 0.0139(3) Uani 1 1 d . . . . .
N3 N 0.78471(5) 0.96125(14) 0.41012(5) 0.0139(3) Uani 1 1 d . . . . .
C1 C 0.66702(7) 0.61784(16) 0.36213(7) 0.0161(4) Uani 1 1 d . . . . .
H1 H 0.661999 0.570303 0.392994 0.019 Uiso 1 1 calc R U . . .
C2 C 0.72558(7) 0.62309(16) 0.37045(7) 0.0165(4) Uani 1 1 d . . . . .
H2A H 0.745560 0.556685 0.397077 0.020 Uiso 1 1 calc R U . . .
H2B H 0.731615 0.609455 0.336123 0.020 Uiso 1 1 calc R U . . .
C3 C 0.73939(7) 0.75987(16) 0.39118(6) 0.0136(3) Uani 1 1 d . . . . .
C4 C 0.78886(7) 0.82802(16) 0.40591(6) 0.0145(3) Uani 1 1 d . . . . .
C5 C 0.83583(7) 0.76691(17) 0.41335(7) 0.0183(4) Uani 1 1 d . . . . .
H5 H 0.837717 0.673762 0.410937 0.022 Uiso 1 1 calc R U . . .
C6 C 0.88022(7) 0.84349(18) 0.42441(7) 0.0200(4) Uani 1 1 d . . . . .
H6 H 0.912892 0.803909 0.428999 0.024 Uiso 1 1 calc R U . . .
C7 C 0.87611(7) 0.97834(18) 0.42863(7) 0.0193(4) Uani 1 1 d . . . . .
H7 H 0.906009 1.032732 0.436032 0.023 Uiso 1 1 calc R U . . .
C8 C 0.82817(6) 1.03369(17) 0.42201(6) 0.0158(3) Uani 1 1 d . . . . .
H8 H 0.825971 1.126296 0.426030 0.019 Uiso 1 1 calc R U . . .
C9 C 0.61144(7) 0.78942(17) 0.38284(7) 0.0175(4) Uani 1 1 d . . . . .
C10 C 0.62032(7) 0.81498(18) 0.43656(7) 0.0213(4) Uani 1 1 d . . . . .
H10 H 0.654718 0.813253 0.462283 0.026 Uiso 1 1 calc R U . . .
C11 C 0.57825(8) 0.84327(19) 0.45250(8) 0.0261(4) Uani 1 1 d . . . . .
H11 H 0.584025 0.863816 0.489125 0.031 Uiso 1 1 calc R U . . .
C12 C 0.52796(8) 0.84166(19) 0.41524(9) 0.0283(5) Uani 1 1 d . . . . .
H12 H 0.499322 0.859892 0.426426 0.034 Uiso 1 1 calc R U . . .
C13 C 0.51948(8) 0.81354(19) 0.36185(9) 0.0292(5) Uani 1 1 d . . . . .
H13 H 0.484948 0.811426 0.336429 0.035 Uiso 1 1 calc R U . . .
C14 C 0.56124(7) 0.78833(18) 0.34517(8) 0.0240(4) Uani 1 1 d . . . . .
H14 H 0.555499 0.770523 0.308329 0.029 Uiso 1 1 calc R U . . .
C15 C 0.63282(7) 0.55689(16) 0.30970(7) 0.0161(4) Uani 1 1 d . . . . .
C16 C 0.63104(7) 0.61034(17) 0.26067(7) 0.0202(4) Uani 1 1 d . . . . .
H16 H 0.651605 0.685530 0.260453 0.024 Uiso 1 1 calc R U . . .
C17 C 0.59975(7) 0.55556(17) 0.21222(7) 0.0208(4) Uani 1 1 d . . . . .
H17 H 0.599065 0.593808 0.179262 0.025 Uiso 1 1 calc R U . . .
C18 C 0.56907(7) 0.44439(17) 0.21123(7) 0.0190(4) Uani 1 1 d . . . . .
C19 C 0.57086(7) 0.39221(17) 0.26047(7) 0.0205(4) Uani 1 1 d . . . . .
H19 H 0.550323 0.317082 0.260853 0.025 Uiso 1 1 calc R U . . .
C20 C 0.60202(7) 0.44766(17) 0.30903(7) 0.0184(4) Uani 1 1 d . . . . .
H20 H 0.602292 0.410609 0.342043 0.022 Uiso 1 1 calc R U . . .
C21 C 0.53671(7) 0.38567(19) 0.15884(7) 0.0223(4) Uani 1 1 d . . . . .
C22 C 0.51068(8) 0.4654(2) 0.11501(8) 0.0294(5) Uani 1 1 d . . . . .
H22 H 0.512263 0.558521 0.119078 0.035 Uiso 1 1 calc R U . . .
C23 C 0.48236(8) 0.4104(3) 0.06528(9) 0.0381(5) Uani 1 1 d . . . . .
H23 H 0.464733 0.466082 0.035638 0.046 Uiso 1 1 calc R U . . .
C24 C 0.47971(8) 0.2753(3) 0.05875(9) 0.0408(6) Uani 1 1 d . . . . .
H24 H 0.460563 0.237919 0.024643 0.049 Uiso 1 1 calc R U . . .
C25 C 0.50497(8) 0.1948(2) 0.10192(9) 0.0390(6) Uani 1 1 d . . . . .
H25 H 0.503034 0.101826 0.097549 0.047 Uiso 1 1 calc R U . . .
C26 C 0.53336(8) 0.2491(2) 0.15199(9) 0.0303(5) Uani 1 1 d . . . . .
H26 H 0.550512 0.192952 0.181602 0.036 Uiso 1 1 calc R U . . .
C27 C 0.68422(6) 1.12708(16) 0.32092(6) 0.0140(3) Uani 1 1 d . . . . .
C28 C 0.71949(7) 1.21022(16) 0.36014(7) 0.0148(3) Uani 1 1 d . . . . .
H28 H 0.749947 1.240507 0.354479 0.018 Uiso 1 1 calc R U . . .
C29 C 0.71050(7) 1.24895(16) 0.40722(7) 0.0164(4) Uani 1 1 d . . . . .
H29 H 0.734412 1.305948 0.432427 0.020 Uiso 1 1 calc R U . . .
C30 C 0.66566(7) 1.20276(17) 0.41701(7) 0.0171(4) Uani 1 1 d . . . . .
C31 C 0.63137(7) 1.11611(17) 0.37987(7) 0.0166(4) Uani 1 1 d . . . . .
H31 H 0.601610 1.083131 0.386196 0.020 Uiso 1 1 calc R U . . .
C32 C 0.64133(6) 1.07800(17) 0.33284(7) 0.0154(4) Uani 1 1 d . . . . .
H32 H 0.618368 1.017438 0.308588 0.019 Uiso 1 1 calc R U . . .
C33 C 0.69239(7) 1.09459(17) 0.26871(7) 0.0164(4) Uani 1 1 d . . . . .
H33 H 0.662708 1.038205 0.246464 0.020 Uiso 1 1 calc R U . . .
C34 C 0.69103(9) 1.22296(19) 0.23812(8) 0.0298(5) Uani 1 1 d . . . . .
H34A H 0.658872 1.270914 0.234161 0.045 Uiso 1 1 calc R U . . .
H34B H 0.692202 1.202972 0.202389 0.045 Uiso 1 1 calc R U . . .
H34C H 0.721141 1.277338 0.258198 0.045 Uiso 1 1 calc R U . . .
C35 C 0.74274(8) 1.0202(2) 0.27724(8) 0.0308(5) Uani 1 1 d . . . . .
H35A H 0.772366 1.073695 0.299136 0.046 Uiso 1 1 calc R U . . .
H35B H 0.745971 1.001874 0.242237 0.046 Uiso 1 1 calc R U . . .
H35C H 0.742355 0.936898 0.295834 0.046 Uiso 1 1 calc R U . . .
C36 C 0.65677(8) 1.24172(19) 0.46766(7) 0.0252(4) Uani 1 1 d . . . . .
H36A H 0.643439 1.165892 0.481726 0.038 Uiso 1 1 calc R U . . .
H36B H 0.631347 1.313679 0.459787 0.038 Uiso 1 1 calc R U . . .
H36C H 0.689710 1.271065 0.494586 0.038 Uiso 1 1 calc R U . . .
P1 P 0.63148(2) 0.88207(5) 0.12159(2) 0.01770(10) Uani 1 1 d . . . . .
F1 F 0.66699(4) 0.77673(11) 0.16369(5) 0.0323(3) Uani 1 1 d . . . . .
F2 F 0.66463(4) 0.85568(11) 0.08326(4) 0.0304(3) Uani 1 1 d . . . . .
F3 F 0.59200(4) 0.76680(11) 0.09198(5) 0.0353(3) Uani 1 1 d . . . . .
F4 F 0.59641(4) 0.98623(11) 0.07920(5) 0.0337(3) Uani 1 1 d . . . . .
F5 F 0.59937(4) 0.90825(12) 0.16034(5) 0.0340(3) Uani 1 1 d . . . . .
F6 F 0.67152(4) 0.99616(11) 0.15093(4) 0.0284(3) 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 Cl1 2.3939(4) . ?
Ru1 N2 2.0821(14) . ?
Ru1 N3 2.0991(14) . ?
Ru1 C27 2.2285(16) . ?
Ru1 C28 2.1767(16) . ?
Ru1 C29 2.2015(17) . ?
Ru1 C30 2.2360(17) . ?
Ru1 C31 2.2078(17) . ?
Ru1 C32 2.1726(16) . ?
N1 N2 1.3912(19) . ?
N1 C1 1.504(2) . ?
N1 C9 1.438(2) . ?
N2 C3 1.292(2) . ?
N3 C4 1.364(2) . ?
N3 C8 1.340(2) . ?
C1 H1 1.0000 . ?
C1 C2 1.543(2) . ?
C1 C15 1.509(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.492(2) . ?
C3 C4 1.449(2) . ?
C4 C5 1.380(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.386(2) . ?
C6 H6 0.9500 . ?
C6 C7 1.381(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.383(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.382(2) . ?
C9 C14 1.387(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.391(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.385(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.381(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.389(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.393(2) . ?
C15 C20 1.390(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.385(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.402(2) . ?
C18 C19 1.393(2) . ?
C18 C21 1.484(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.389(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.389(3) . ?
C21 C26 1.396(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.390(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.381(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.377(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.394(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.421(2) . ?
C27 C32 1.412(2) . ?
C27 C33 1.514(2) . ?
C28 H28 0.9500 . ?
C28 C29 1.410(2) . ?
C29 H29 0.9500 . ?
C29 C30 1.422(2) . ?
C30 C31 1.406(2) . ?
C30 C36 1.499(2) . ?
C31 H31 0.9500 . ?
C31 C32 1.420(2) . ?
C32 H32 0.9500 . ?
C33 H33 1.0000 . ?
C33 C34 1.528(2) . ?
C33 C35 1.519(3) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
P1 F1 1.6038(11) . ?
P1 F2 1.6060(11) . ?
P1 F3 1.5995(12) . ?
P1 F4 1.5948(12) . ?
P1 F5 1.5925(11) . ?
P1 F6 1.5969(11) . ?

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
N2 Ru1 Cl1 87.30(4) . . ?
N2 Ru1 N3 75.93(5) . . ?
N2 Ru1 C27 105.82(6) . . ?
N2 Ru1 C28 139.31(6) . . ?
N2 Ru1 C29 171.24(6) . . ?
N2 Ru1 C30 137.38(6) . . ?
N2 Ru1 C31 105.14(6) . . ?
N2 Ru1 C32 91.58(6) . . ?
N3 Ru1 Cl1 81.87(4) . . ?
N3 Ru1 C27 102.72(6) . . ?
N3 Ru1 C28 93.29(6) . . ?
N3 Ru1 C29 110.96(6) . . ?
N3 Ru1 C30 145.23(6) . . ?
N3 Ru1 C31 170.62(6) . . ?
N3 Ru1 C32 133.41(6) . . ?
C27 Ru1 Cl1 166.76(4) . . ?
C27 Ru1 C30 80.06(6) . . ?
C28 Ru1 Cl1 130.57(5) . . ?
C28 Ru1 C27 37.63(6) . . ?
C28 Ru1 C29 37.57(6) . . ?
C28 Ru1 C30 67.56(6) . . ?
C28 Ru1 C31 79.83(6) . . ?
C29 Ru1 Cl1 98.87(4) . . ?
C29 Ru1 C27 67.89(6) . . ?
C29 Ru1 C30 37.38(6) . . ?
C29 Ru1 C31 67.15(6) . . ?
C30 Ru1 Cl1 89.12(4) . . ?
C31 Ru1 Cl1 107.43(4) . . ?
C31 Ru1 C27 67.95(6) . . ?
C31 Ru1 C30 36.87(6) . . ?
C32 Ru1 Cl1 143.14(5) . . ?
C32 Ru1 C27 37.39(6) . . ?
C32 Ru1 C28 67.42(6) . . ?
C32 Ru1 C29 79.74(6) . . ?
C32 Ru1 C30 67.34(6) . . ?
C32 Ru1 C31 37.83(6) . . ?
N2 N1 C1 108.05(13) . . ?
N2 N1 C9 116.21(13) . . ?
C9 N1 C1 116.24(13) . . ?
N1 N2 Ru1 129.51(10) . . ?
C3 N2 Ru1 117.86(11) . . ?
C3 N2 N1 111.06(13) . . ?
C4 N3 Ru1 115.98(11) . . ?
C8 N3 Ru1 125.87(12) . . ?
C8 N3 C4 118.03(14) . . ?
N1 C1 H1 109.6 . . ?
N1 C1 C2 102.75(13) . . ?
N1 C1 C15 109.89(13) . . ?
C2 C1 H1 109.6 . . ?
C15 C1 H1 109.6 . . ?
C15 C1 C2 115.13(14) . . ?
C1 C2 H2A 111.4 . . ?
C1 C2 H2B 111.4 . . ?
H2A C2 H2B 109.3 . . ?
C3 C2 C1 101.62(13) . . ?
C3 C2 H2A 111.4 . . ?
C3 C2 H2B 111.4 . . ?
N2 C3 C2 113.19(15) . . ?
N2 C3 C4 116.52(15) . . ?
C4 C3 C2 129.48(15) . . ?
N3 C4 C3 113.45(15) . . ?
N3 C4 C5 122.27(16) . . ?
C5 C4 C3 124.24(16) . . ?
C4 C5 H5 120.5 . . ?
C4 C5 C6 118.99(16) . . ?
C6 C5 H5 120.5 . . ?
C5 C6 H6 120.6 . . ?
C7 C6 C5 118.83(16) . . ?
C7 C6 H6 120.6 . . ?
C6 C7 H7 120.2 . . ?
C6 C7 C8 119.56(17) . . ?
C8 C7 H7 120.2 . . ?
N3 C8 C7 122.29(16) . . ?
N3 C8 H8 118.9 . . ?
C7 C8 H8 118.9 . . ?
C10 C9 N1 121.88(16) . . ?
C10 C9 C14 120.90(17) . . ?
C14 C9 N1 117.21(16) . . ?
C9 C10 H10 120.4 . . ?
C9 C10 C11 119.14(18) . . ?
C11 C10 H10 120.4 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.35(18) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 119.96(18) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.25(19) . . ?
C14 C13 H13 119.9 . . ?
C9 C14 C13 119.35(18) . . ?
C9 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C16 C15 C1 120.39(15) . . ?
C20 C15 C1 121.14(15) . . ?
C20 C15 C16 118.47(16) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 C15 121.02(17) . . ?
C17 C16 H16 119.5 . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.82(16) . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C21 119.87(16) . . ?
C19 C18 C17 117.71(16) . . ?
C19 C18 C21 122.42(16) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 C18 121.43(16) . . ?
C20 C19 H19 119.3 . . ?
C15 C20 H20 119.7 . . ?
C19 C20 C15 120.54(16) . . ?
C19 C20 H20 119.7 . . ?
C22 C21 C18 120.70(17) . . ?
C22 C21 C26 118.58(18) . . ?
C26 C21 C18 120.68(18) . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.7(2) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.3(2) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 119.7(2) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 119.8 . . ?
C24 C25 C26 120.4(2) . . ?
C26 C25 H25 119.8 . . ?
C21 C26 H26 119.8 . . ?
C25 C26 C21 120.3(2) . . ?
C25 C26 H26 119.8 . . ?
C28 C27 Ru1 69.21(9) . . ?
C28 C27 C33 121.08(15) . . ?
C32 C27 Ru1 69.16(9) . . ?
C32 C27 C28 116.88(15) . . ?
C32 C27 C33 122.04(15) . . ?
C33 C27 Ru1 133.29(12) . . ?
Ru1 C28 H28 127.8 . . ?
C27 C28 Ru1 73.16(9) . . ?
C27 C28 H28 119.1 . . ?
C29 C28 Ru1 72.17(9) . . ?
C29 C28 C27 121.77(16) . . ?
C29 C28 H28 119.1 . . ?
Ru1 C29 H29 129.6 . . ?
C28 C29 Ru1 70.26(9) . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.06(16) . . ?
C30 C29 Ru1 72.62(10) . . ?
C30 C29 H29 120.0 . . ?
C29 C30 Ru1 69.99(9) . . ?
C29 C30 C36 119.98(16) . . ?
C31 C30 Ru1 70.47(10) . . ?
C31 C30 C29 119.13(15) . . ?
C31 C30 C36 120.83(16) . . ?
C36 C30 Ru1 129.50(12) . . ?
Ru1 C31 H31 130.0 . . ?
C30 C31 Ru1 72.66(10) . . ?
C30 C31 H31 120.1 . . ?
C30 C31 C32 119.81(16) . . ?
C32 C31 Ru1 69.74(9) . . ?
C32 C31 H31 120.1 . . ?
Ru1 C32 H32 127.4 . . ?
C27 C32 Ru1 73.46(10) . . ?
C27 C32 C31 122.20(16) . . ?
C27 C32 H32 118.9 . . ?
C31 C32 Ru1 72.43(10) . . ?
C31 C32 H32 118.9 . . ?
C27 C33 H33 108.2 . . ?
C27 C33 C34 108.39(14) . . ?
C27 C33 C35 113.03(14) . . ?
C34 C33 H33 108.2 . . ?
C35 C33 H33 108.2 . . ?
C35 C33 C34 110.73(16) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C30 C36 H36A 109.5 . . ?
C30 C36 H36B 109.5 . . ?
C30 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
F1 P1 F2 89.34(6) . . ?
F3 P1 F1 89.69(7) . . ?
F3 P1 F2 90.23(6) . . ?
F4 P1 F1 179.34(7) . . ?
F4 P1 F2 90.02(6) . . ?
F4 P1 F3 90.16(6) . . ?
F4 P1 F6 90.21(6) . . ?
F5 P1 F1 90.04(7) . . ?
F5 P1 F2 179.16(7) . . ?
F5 P1 F3 90.34(7) . . ?
F5 P1 F4 90.60(7) . . ?
F5 P1 F6 90.37(6) . . ?
F6 P1 F1 89.94(6) . . ?
F6 P1 F2 89.06(6) . . ?
F6 P1 F3 179.20(7) . . ?

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 N2 C3 C2 -169.22(10) . . . . ?
Ru1 N2 C3 C4 1.47(19) . . . . ?
Ru1 N3 C4 C3 5.71(17) . . . . ?
Ru1 N3 C4 C5 -176.38(12) . . . . ?
Ru1 N3 C8 C7 177.56(12) . . . . ?
Ru1 C27 C28 C29 -55.68(14) . . . . ?
Ru1 C27 C32 C31 56.00(14) . . . . ?
Ru1 C27 C33 C34 -150.63(14) . . . . ?
Ru1 C27 C33 C35 -27.5(2) . . . . ?
Ru1 C28 C29 C30 -54.95(14) . . . . ?
Ru1 C29 C30 C31 -52.40(14) . . . . ?
Ru1 C29 C30 C36 124.85(15) . . . . ?
Ru1 C30 C31 C32 -53.35(14) . . . . ?
Ru1 C31 C32 C27 -56.47(14) . . . . ?
N1 N2 C3 C2 -2.14(19) . . . . ?
N1 N2 C3 C4 168.55(13) . . . . ?
N1 C1 C2 C3 15.85(16) . . . . ?
N1 C1 C15 C16 56.3(2) . . . . ?
N1 C1 C15 C20 -122.93(17) . . . . ?
N1 C9 C10 C11 179.31(16) . . . . ?
N1 C9 C14 C13 179.16(16) . . . . ?
N2 N1 C1 C2 -18.18(16) . . . . ?
N2 N1 C1 C15 -141.20(14) . . . . ?
N2 N1 C9 C10 -37.3(2) . . . . ?
N2 N1 C9 C14 143.62(16) . . . . ?
N2 C3 C4 N3 -4.7(2) . . . . ?
N2 C3 C4 C5 177.41(15) . . . . ?
N3 C4 C5 C6 -1.3(2) . . . . ?
C1 N1 N2 Ru1 178.52(10) . . . . ?
C1 N1 N2 C3 13.37(17) . . . . ?
C1 N1 C9 C10 91.55(19) . . . . ?
C1 N1 C9 C14 -87.50(19) . . . . ?
C1 C2 C3 N2 -9.41(18) . . . . ?
C1 C2 C3 C4 -178.60(16) . . . . ?
C1 C15 C16 C17 -179.89(16) . . . . ?
C1 C15 C20 C19 -179.75(16) . . . . ?
C2 C1 C15 C16 -59.1(2) . . . . ?
C2 C1 C15 C20 121.67(18) . . . . ?
C2 C3 C4 N3 164.17(16) . . . . ?
C2 C3 C4 C5 -13.7(3) . . . . ?
C3 C4 C5 C6 176.35(16) . . . . ?
C4 N3 C8 C7 1.7(2) . . . . ?
C4 C5 C6 C7 1.2(3) . . . . ?
C5 C6 C7 C8 0.3(3) . . . . ?
C6 C7 C8 N3 -1.8(3) . . . . ?
C8 N3 C4 C3 -178.04(14) . . . . ?
C8 N3 C4 C5 -0.1(2) . . . . ?
C9 N1 N2 Ru1 -48.73(19) . . . . ?
C9 N1 N2 C3 146.12(15) . . . . ?
C9 N1 C1 C2 -150.91(14) . . . . ?
C9 N1 C1 C15 86.07(18) . . . . ?
C9 C10 C11 C12 2.1(3) . . . . ?
C10 C9 C14 C13 0.1(3) . . . . ?
C10 C11 C12 C13 -0.8(3) . . . . ?
C11 C12 C13 C14 -0.8(3) . . . . ?
C12 C13 C14 C9 1.1(3) . . . . ?
C14 C9 C10 C11 -1.7(3) . . . . ?
C15 C1 C2 C3 135.28(14) . . . . ?
C15 C16 C17 C18 -0.2(3) . . . . ?
C16 C15 C20 C19 1.0(3) . . . . ?
C16 C17 C18 C19 0.6(3) . . . . ?
C16 C17 C18 C21 -178.69(17) . . . . ?
C17 C18 C19 C20 -0.2(3) . . . . ?
C17 C18 C21 C22 -39.1(3) . . . . ?
C17 C18 C21 C26 138.49(19) . . . . ?
C18 C19 C20 C15 -0.6(3) . . . . ?
C18 C21 C22 C23 176.99(18) . . . . ?
C18 C21 C26 C25 -176.82(18) . . . . ?
C19 C18 C21 C22 141.66(19) . . . . ?
C19 C18 C21 C26 -40.8(3) . . . . ?
C20 C15 C16 C17 -0.6(3) . . . . ?
C21 C18 C19 C20 179.03(17) . . . . ?
C21 C22 C23 C24 0.0(3) . . . . ?
C22 C21 C26 C25 0.8(3) . . . . ?
C22 C23 C24 C25 0.5(3) . . . . ?
C23 C24 C25 C26 -0.3(3) . . . . ?
C24 C25 C26 C21 -0.3(3) . . . . ?
C26 C21 C22 C23 -0.6(3) . . . . ?
C27 C28 C29 Ru1 56.14(14) . . . . ?
C27 C28 C29 C30 1.2(2) . . . . ?
C28 C27 C32 Ru1 -51.78(13) . . . . ?
C28 C27 C32 C31 4.2(2) . . . . ?
C28 C27 C33 C34 -60.7(2) . . . . ?
C28 C27 C33 C35 62.4(2) . . . . ?
C28 C29 C30 Ru1 53.84(14) . . . . ?
C28 C29 C30 C31 1.4(2) . . . . ?
C28 C29 C30 C36 178.69(15) . . . . ?
C29 C30 C31 Ru1 52.18(14) . . . . ?
C29 C30 C31 C32 -1.2(2) . . . . ?
C30 C31 C32 Ru1 54.72(14) . . . . ?
C30 C31 C32 C27 -1.8(2) . . . . ?
C32 C27 C28 Ru1 51.75(13) . . . . ?
C32 C27 C28 C29 -3.9(2) . . . . ?
C32 C27 C33 C34 118.63(18) . . . . ?
C32 C27 C33 C35 -118.22(19) . . . . ?
C33 C27 C28 Ru1 -128.87(15) . . . . ?
C33 C27 C28 C29 175.46(15) . . . . ?
C33 C27 C32 Ru1 128.85(15) . . . . ?
C33 C27 C32 C31 -175.16(15) . . . . ?
C36 C30 C31 Ru1 -125.05(16) . . . . ?
C36 C30 C31 C32 -178.40(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
