# 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 2131669'
loop_
_audit_author_name
_audit_author_address
'Jianhui Xie'
;HFUT 
China
;
_audit_update_record             
;
2021-12-30 deposited with the CCDC.	2022-03-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H36 Cl2 F6 N4 O2 P Ru'
_chemical_formula_weight         849.61

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'
Cl Cl 0.3639 0.7018 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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'

_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, 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                   17.7212(2)
_cell_length_b                   16.1974(2)
_cell_length_c                   24.1947(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6944.78(14)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    12472
_cell_measurement_theta_min      5.667
_cell_measurement_theta_max      71.647

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_F_000             3448
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    6.132
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.53229
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.1270
_diffrn_reflns_number            32870
_diffrn_reflns_av_unetI/netI     0.0235
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         3.654
_diffrn_reflns_theta_max         68.243
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6351
_reflns_number_gt                5432
_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, Agilent Technologies'
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.0426P)²+11.8333P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_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         6351
_refine_ls_number_parameters     451
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0349
_refine_ls_wR_factor_ref         0.0926
_refine_ls_wR_factor_gt          0.0864
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.001
_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 0.47014(2) 0.92999(2) 0.40019(2) 0.02278(8) Uani 1 1 d . . . . .
Cl1 Cl 0.74574(6) 1.22134(7) 0.29767(4) 0.0560(3) Uani 1 1 d . . . . .
Cl2 Cl 0.25120(5) 0.64304(6) 0.56511(4) 0.0481(2) Uani 1 1 d . . . . .
O1 O 0.57832(12) 0.96073(14) 0.41144(9) 0.0306(5) Uani 1 1 d . . . . .
O2 O 0.46495(12) 0.88512(13) 0.47766(8) 0.0296(5) Uani 1 1 d . . . . .
N1 N 0.46796(14) 0.97641(16) 0.32457(10) 0.0272(5) Uani 1 1 d . . . . .
N2 N 0.36442(14) 0.89697(15) 0.38262(10) 0.0272(5) Uani 1 1 d . . . . .
N3 N 0.44320(14) 1.04834(16) 0.43093(11) 0.0285(5) Uani 1 1 d . . . . .
H3A H 0.481031 1.063751 0.452810 0.034 Uiso 1 1 calc R U . . .
H3B H 0.443165 1.082737 0.402242 0.034 Uiso 1 1 calc R U . . .
N4 N 0.50097(17) 0.80883(17) 0.37439(12) 0.0370(6) Uani 1 1 d . . . . .
H4A H 0.466891 0.773655 0.387631 0.044 Uiso 1 1 calc R U . . .
H4B H 0.498070 0.806881 0.337691 0.044 Uiso 1 1 calc R U . . .
C1 C 0.61198(16) 1.02050(18) 0.38382(12) 0.0262(6) Uani 1 1 d . . . . .
C2 C 0.68155(18) 1.04959(19) 0.40472(13) 0.0296(7) Uani 1 1 d . . . . .
H2 H 0.700775 1.026445 0.436956 0.035 Uiso 1 1 calc R U . . .
C3 C 0.72151(18) 1.11092(19) 0.37887(13) 0.0310(7) Uani 1 1 d . . . . .
H3 H 0.766721 1.129776 0.393766 0.037 Uiso 1 1 calc R U . . .
C4 C 0.69364(19) 1.1445(2) 0.33018(13) 0.0337(7) Uani 1 1 d . . . . .
C5 C 0.62726(19) 1.1179(2) 0.30779(13) 0.0328(7) Uani 1 1 d . . . . .
H5 H 0.609738 1.141459 0.275182 0.039 Uiso 1 1 calc R U . . .
C6 C 0.58489(17) 1.05482(18) 0.33358(12) 0.0273(6) Uani 1 1 d . . . . .
C7 C 0.51731(18) 1.02822(19) 0.30548(13) 0.0304(7) Uani 1 1 d . . . . .
H7 H 0.508335 1.050172 0.270574 0.037 Uiso 1 1 calc R U . . .
C8 C 0.40303(19) 0.9446(2) 0.29201(13) 0.0329(7) Uani 1 1 d . . . . .
H8 H 0.416372 0.888948 0.279468 0.040 Uiso 1 1 calc R U . . .
C9 C 0.3820(2) 0.9945(2) 0.24097(14) 0.0380(8) Uani 1 1 d . . . . .
H9A H 0.424641 0.997168 0.215906 0.046 Uiso 1 1 calc R U . . .
H9B H 0.368591 1.050324 0.251577 0.046 Uiso 1 1 calc R U . . .
C10 C 0.3147(2) 0.9527(3) 0.21210(15) 0.0454(9) Uani 1 1 d . . . . .
H10A H 0.299052 0.986363 0.180965 0.054 Uiso 1 1 calc R U . . .
H10B H 0.330537 0.899499 0.197866 0.054 Uiso 1 1 calc R U . . .
C11 C 0.2484(2) 0.9405(2) 0.25024(15) 0.0456(9) Uani 1 1 d . . . . .
H11A H 0.209318 0.910098 0.230963 0.055 Uiso 1 1 calc R U . . .
H11B H 0.227941 0.993992 0.260330 0.055 Uiso 1 1 calc R U . . .
C12 C 0.27039(19) 0.8937(2) 0.30270(14) 0.0359(7) Uani 1 1 d . . . . .
H12A H 0.227574 0.891539 0.327636 0.043 Uiso 1 1 calc R U . . .
H12B H 0.284342 0.837550 0.293294 0.043 Uiso 1 1 calc R U . . .
C13 C 0.33597(18) 0.93601(19) 0.33106(13) 0.0310(7) Uani 1 1 d . . . . .
H13 H 0.319413 0.991928 0.340662 0.037 Uiso 1 1 calc R U . . .
C14 C 0.32400(17) 0.84803(18) 0.41285(13) 0.0287(6) Uani 1 1 d . . . . .
H14 H 0.275767 0.835544 0.400217 0.034 Uiso 1 1 calc R U . . .
C15 C 0.34726(17) 0.81103(18) 0.46458(12) 0.0272(6) Uani 1 1 d . . . . .
C16 C 0.29686(18) 0.7534(2) 0.48823(13) 0.0319(7) Uani 1 1 d . . . . .
H16 H 0.251293 0.742243 0.470675 0.038 Uiso 1 1 calc R U . . .
C17 C 0.31401(19) 0.7138(2) 0.53651(13) 0.0331(7) Uani 1 1 d . . . . .
C18 C 0.38139(19) 0.72897(19) 0.56393(13) 0.0322(7) Uani 1 1 d . . . . .
H18 H 0.392785 0.701147 0.596502 0.039 Uiso 1 1 calc R U . . .
C19 C 0.43066(18) 0.78515(19) 0.54255(13) 0.0309(7) Uani 1 1 d . . . . .
H19 H 0.475801 0.794982 0.561014 0.037 Uiso 1 1 calc R U . . .
C20 C 0.41548(17) 0.82892(18) 0.49335(12) 0.0264(6) Uani 1 1 d . . . . .
C21 C 0.37249(19) 1.0629(2) 0.46178(14) 0.0376(8) Uani 1 1 d . . . . .
H21A H 0.380114 1.108927 0.486776 0.045 Uiso 1 1 calc R U . . .
H21B H 0.361709 1.014497 0.484062 0.045 Uiso 1 1 calc R U . . .
C22 C 0.30459(19) 1.0810(2) 0.42587(13) 0.0321(7) Uani 1 1 d . . . . .
C23 C 0.3073(2) 1.1409(2) 0.38491(14) 0.0388(8) Uani 1 1 d . . . . .
H23 H 0.351492 1.170821 0.379432 0.047 Uiso 1 1 calc R U . . .
C24 C 0.2448(2) 1.1564(2) 0.35208(16) 0.0507(10) Uani 1 1 d . . . . .
H24 H 0.248027 1.195135 0.323807 0.061 Uiso 1 1 calc R U . . .
C25 C 0.1781(2) 1.1151(3) 0.36091(17) 0.0580(11) Uani 1 1 d . . . . .
H25 H 0.135929 1.126325 0.339302 0.070 Uiso 1 1 calc R U . . .
C26 C 0.1748(2) 1.0556(3) 0.40326(18) 0.0572(11) Uani 1 1 d . . . . .
H26 H 0.130074 1.027199 0.409771 0.069 Uiso 1 1 calc R U . . .
C27 C 0.2364(2) 1.0394(2) 0.43456(15) 0.0423(8) Uani 1 1 d . . . . .
H27 H 0.233330 0.999929 0.462373 0.051 Uiso 1 1 calc R U . . .
C28 C 0.5765(2) 0.7792(2) 0.3909(2) 0.0541(10) Uani 1 1 d . . . . .
H28A H 0.597024 0.816353 0.418513 0.065 Uiso 1 1 calc R U . . .
H28B H 0.609623 0.780862 0.358966 0.065 Uiso 1 1 calc R U . . .
C29 C 0.5756(2) 0.6927(2) 0.41390(17) 0.0477(9) Uani 1 1 d . . . . .
C30 C 0.5633(3) 0.6242(3) 0.38132(18) 0.0563(11) Uani 1 1 d . . . . .
H30 H 0.554062 0.630556 0.343725 0.068 Uiso 1 1 calc R U . . .
C31 C 0.5645(3) 0.5450(3) 0.4046(2) 0.0648(13) Uani 1 1 d . . . . .
H31 H 0.555603 0.498810 0.382765 0.078 Uiso 1 1 calc R U . . .
C32 C 0.5790(3) 0.5364(3) 0.4594(2) 0.0716(14) Uani 1 1 d . . . . .
H32 H 0.581352 0.483924 0.474894 0.086 Uiso 1 1 calc R U . . .
C33 C 0.5899(4) 0.6040(4) 0.4920(2) 0.0873(18) Uani 1 1 d . . . . .
H33 H 0.598760 0.597467 0.529655 0.105 Uiso 1 1 calc R U . . .
C34 C 0.5880(3) 0.6809(3) 0.4695(2) 0.0701(14) Uani 1 1 d . . . . .
H34 H 0.595114 0.726600 0.492179 0.084 Uiso 1 1 calc R U . . .
P1 P 0.04359(5) 0.79114(7) 0.29883(5) 0.0499(3) Uani 1 1 d . . . . .
F1 F 0.02644(13) 0.71454(17) 0.33728(11) 0.0649(7) Uani 1 1 d . . . . .
F2 F -0.0321(2) 0.8313(3) 0.31742(16) 0.1283(17) Uani 1 1 d . . . . .
F3 F 0.12112(19) 0.7564(3) 0.28326(17) 0.1400(19) Uani 1 1 d . . . . .
F4 F 0.05905(18) 0.8665(3) 0.25915(18) 0.1287(17) Uani 1 1 d . . . . .
F5 F -0.0002(3) 0.7504(3) 0.24932(14) 0.1297(16) Uani 1 1 d . . . . .
F6 F 0.0851(3) 0.8321(3) 0.34909(18) 0.1369(17) 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 N1 1.978(2) . ?
Ru1 N2 1.994(3) . ?
Ru1 O1 1.999(2) . ?
Ru1 O2 2.012(2) . ?
Ru1 N3 2.111(3) . ?
Ru1 N4 2.131(3) . ?
Cl1 C4 1.737(3) . ?
Cl2 C17 1.741(3) . ?
O1 C1 1.319(4) . ?
O2 C20 1.320(3) . ?
N1 C7 1.297(4) . ?
N1 C8 1.487(4) . ?
N2 C14 1.295(4) . ?
N2 C13 1.487(4) . ?
N3 C21 1.477(4) . ?
N3 H3A 0.8900 . ?
N3 H3B 0.8900 . ?
N4 C28 1.476(5) . ?
N4 H4A 0.8900 . ?
N4 H4B 0.8900 . ?
C1 C2 1.413(4) . ?
C1 C6 1.420(4) . ?
C2 C3 1.371(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.389(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.365(5) . ?
C5 C6 1.413(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.443(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.522(4) . ?
C8 C13 1.525(5) . ?
C8 H8 0.9800 . ?
C9 C10 1.539(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.506(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.529(5) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.513(4) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13 0.9800 . ?
C14 C15 1.448(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.413(4) . ?
C15 C20 1.425(4) . ?
C16 C17 1.367(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.388(5) . ?
C18 C19 1.363(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.411(4) . ?
C19 H19 0.9300 . ?
C21 C22 1.513(5) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.387(5) . ?
C22 C27 1.399(5) . ?
C23 C24 1.386(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.375(6) . ?
C24 H24 0.9300 . ?
C25 C26 1.409(6) . ?
C25 H25 0.9300 . ?
C26 C27 1.354(6) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.509(5) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C34 1.376(6) . ?
C29 C30 1.378(6) . ?
C30 C31 1.401(6) . ?
C30 H30 0.9300 . ?
C31 C32 1.358(7) . ?
C31 H31 0.9300 . ?
C32 C33 1.362(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.361(7) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
P1 F3 1.532(3) . ?
P1 F2 1.556(3) . ?
P1 F6 1.568(4) . ?
P1 F5 1.572(4) . ?
P1 F4 1.577(3) . ?
P1 F1 1.580(3) . ?

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 N2 83.48(10) . . ?
N1 Ru1 O1 92.87(9) . . ?
N2 Ru1 O1 175.32(10) . . ?
N1 Ru1 O2 176.09(10) . . ?
N2 Ru1 O2 93.37(9) . . ?
O1 Ru1 O2 90.40(8) . . ?
N1 Ru1 N3 88.64(10) . . ?
N2 Ru1 N3 96.09(10) . . ?
O1 Ru1 N3 86.72(10) . . ?
O2 Ru1 N3 89.40(10) . . ?
N1 Ru1 N4 94.82(11) . . ?
N2 Ru1 N4 86.07(11) . . ?
O1 Ru1 N4 91.34(10) . . ?
O2 Ru1 N4 87.25(10) . . ?
N3 Ru1 N4 176.11(10) . . ?
C1 O1 Ru1 123.19(19) . . ?
C20 O2 Ru1 123.19(18) . . ?
C7 N1 C8 123.9(3) . . ?
C7 N1 Ru1 124.2(2) . . ?
C8 N1 Ru1 111.93(19) . . ?
C14 N2 C13 123.1(3) . . ?
C14 N2 Ru1 124.3(2) . . ?
C13 N2 Ru1 112.55(19) . . ?
C21 N3 Ru1 121.0(2) . . ?
C21 N3 H3A 107.1 . . ?
Ru1 N3 H3A 107.1 . . ?
C21 N3 H3B 107.1 . . ?
Ru1 N3 H3B 107.1 . . ?
H3A N3 H3B 106.8 . . ?
C28 N4 Ru1 116.9(2) . . ?
C28 N4 H4A 108.1 . . ?
Ru1 N4 H4A 108.1 . . ?
C28 N4 H4B 108.1 . . ?
Ru1 N4 H4B 108.1 . . ?
H4A N4 H4B 107.3 . . ?
O1 C1 C2 117.2(3) . . ?
O1 C1 C6 124.6(3) . . ?
C2 C1 C6 118.1(3) . . ?
C3 C2 C1 121.9(3) . . ?
C3 C2 H2 119.0 . . ?
C1 C2 H2 119.0 . . ?
C2 C3 C4 119.2(3) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C5 C4 C3 121.3(3) . . ?
C5 C4 Cl1 120.3(3) . . ?
C3 C4 Cl1 118.4(3) . . ?
C4 C5 C6 120.8(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 118.8(3) . . ?
C5 C6 C7 116.7(3) . . ?
C1 C6 C7 124.5(3) . . ?
N1 C7 C6 125.8(3) . . ?
N1 C7 H7 117.1 . . ?
C6 C7 H7 117.1 . . ?
N1 C8 C9 115.8(3) . . ?
N1 C8 C13 107.8(2) . . ?
C9 C8 C13 111.1(3) . . ?
N1 C8 H8 107.2 . . ?
C9 C8 H8 107.2 . . ?
C13 C8 H8 107.2 . . ?
C8 C9 C10 109.0(3) . . ?
C8 C9 H9A 109.9 . . ?
C10 C9 H9A 109.9 . . ?
C8 C9 H9B 109.9 . . ?
C10 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
C11 C10 C9 112.6(3) . . ?
C11 C10 H10A 109.1 . . ?
C9 C10 H10A 109.1 . . ?
C11 C10 H10B 109.1 . . ?
C9 C10 H10B 109.1 . . ?
H10A C10 H10B 107.8 . . ?
C10 C11 C12 112.0(3) . . ?
C10 C11 H11A 109.2 . . ?
C12 C11 H11A 109.2 . . ?
C10 C11 H11B 109.2 . . ?
C12 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
C13 C12 C11 110.3(3) . . ?
C13 C12 H12A 109.6 . . ?
C11 C12 H12A 109.6 . . ?
C13 C12 H12B 109.6 . . ?
C11 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
N2 C13 C12 116.6(3) . . ?
N2 C13 C8 107.1(2) . . ?
C12 C13 C8 111.0(3) . . ?
N2 C13 H13 107.2 . . ?
C12 C13 H13 107.2 . . ?
C8 C13 H13 107.2 . . ?
N2 C14 C15 125.8(3) . . ?
N2 C14 H14 117.1 . . ?
C15 C14 H14 117.1 . . ?
C16 C15 C20 118.2(3) . . ?
C16 C15 C14 116.3(3) . . ?
C20 C15 C14 125.4(3) . . ?
C17 C16 C15 121.0(3) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C16 C17 C18 121.1(3) . . ?
C16 C17 Cl2 120.4(3) . . ?
C18 C17 Cl2 118.5(2) . . ?
C19 C18 C17 119.2(3) . . ?
C19 C18 H18 120.4 . . ?
C17 C18 H18 120.4 . . ?
C18 C19 C20 122.2(3) . . ?
C18 C19 H19 118.9 . . ?
C20 C19 H19 118.9 . . ?
O2 C20 C19 117.6(3) . . ?
O2 C20 C15 124.3(3) . . ?
C19 C20 C15 118.1(3) . . ?
N3 C21 C22 114.5(3) . . ?
N3 C21 H21A 108.6 . . ?
C22 C21 H21A 108.6 . . ?
N3 C21 H21B 108.6 . . ?
C22 C21 H21B 108.6 . . ?
H21A C21 H21B 107.6 . . ?
C23 C22 C27 118.3(3) . . ?
C23 C22 C21 121.2(3) . . ?
C27 C22 C21 120.5(3) . . ?
C24 C23 C22 120.5(4) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C25 C24 C23 120.7(4) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C24 C25 C26 118.8(4) . . ?
C24 C25 H25 120.6 . . ?
C26 C25 H25 120.6 . . ?
C27 C26 C25 120.4(4) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C26 C27 C22 121.3(4) . . ?
C26 C27 H27 119.4 . . ?
C22 C27 H27 119.4 . . ?
N4 C28 C29 113.1(3) . . ?
N4 C28 H28A 109.0 . . ?
C29 C28 H28A 109.0 . . ?
N4 C28 H28B 109.0 . . ?
C29 C28 H28B 109.0 . . ?
H28A C28 H28B 107.8 . . ?
C34 C29 C30 118.2(4) . . ?
C34 C29 C28 119.2(4) . . ?
C30 C29 C28 122.6(4) . . ?
C29 C30 C31 120.3(4) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C32 C31 C30 119.3(5) . . ?
C32 C31 H31 120.3 . . ?
C30 C31 H31 120.3 . . ?
C31 C32 C33 120.7(5) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C34 C33 C32 120.0(5) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C29 121.5(5) . . ?
C33 C34 H34 119.3 . . ?
C29 C34 H34 119.3 . . ?
F3 P1 F2 175.7(3) . . ?
F3 P1 F6 85.7(3) . . ?
F2 P1 F6 90.2(3) . . ?
F3 P1 F5 95.8(3) . . ?
F2 P1 F5 88.3(3) . . ?
F6 P1 F5 178.4(3) . . ?
F3 P1 F4 88.8(2) . . ?
F2 P1 F4 90.1(2) . . ?
F6 P1 F4 93.6(2) . . ?
F5 P1 F4 86.9(2) . . ?
F3 P1 F1 91.67(17) . . ?
F2 P1 F1 89.54(18) . . ?
F6 P1 F1 88.06(18) . . ?
F5 P1 F1 91.40(18) . . ?
F4 P1 F1 178.3(2) . . ?

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 O1 C1 C2 164.7(2) . . . . ?
Ru1 O1 C1 C6 -18.2(4) . . . . ?
O1 C1 C2 C3 179.3(3) . . . . ?
C6 C1 C2 C3 2.0(5) . . . . ?
C1 C2 C3 C4 -1.2(5) . . . . ?
C2 C3 C4 C5 0.2(5) . . . . ?
C2 C3 C4 Cl1 -179.2(2) . . . . ?
C3 C4 C5 C6 -0.2(5) . . . . ?
Cl1 C4 C5 C6 179.3(2) . . . . ?
C4 C5 C6 C1 1.0(5) . . . . ?
C4 C5 C6 C7 -177.3(3) . . . . ?
O1 C1 C6 C5 -179.0(3) . . . . ?
C2 C1 C6 C5 -1.9(4) . . . . ?
O1 C1 C6 C7 -0.9(5) . . . . ?
C2 C1 C6 C7 176.2(3) . . . . ?
C8 N1 C7 C6 -173.9(3) . . . . ?
Ru1 N1 C7 C6 5.9(4) . . . . ?
C5 C6 C7 N1 -174.0(3) . . . . ?
C1 C6 C7 N1 7.9(5) . . . . ?
C7 N1 C8 C9 -18.2(4) . . . . ?
Ru1 N1 C8 C9 162.0(2) . . . . ?
C7 N1 C8 C13 -143.4(3) . . . . ?
Ru1 N1 C8 C13 36.8(3) . . . . ?
N1 C8 C9 C10 179.5(3) . . . . ?
C13 C8 C9 C10 -57.0(4) . . . . ?
C8 C9 C10 C11 55.0(4) . . . . ?
C9 C10 C11 C12 -54.2(4) . . . . ?
C10 C11 C12 C13 54.0(4) . . . . ?
C14 N2 C13 C12 -22.6(4) . . . . ?
Ru1 N2 C13 C12 158.4(2) . . . . ?
C14 N2 C13 C8 -147.7(3) . . . . ?
Ru1 N2 C13 C8 33.3(3) . . . . ?
C11 C12 C13 N2 -179.3(3) . . . . ?
C11 C12 C13 C8 -56.3(4) . . . . ?
N1 C8 C13 N2 -44.4(3) . . . . ?
C9 C8 C13 N2 -172.3(3) . . . . ?
N1 C8 C13 C12 -172.8(2) . . . . ?
C9 C8 C13 C12 59.3(4) . . . . ?
C13 N2 C14 C15 -177.2(3) . . . . ?
Ru1 N2 C14 C15 1.7(4) . . . . ?
N2 C14 C15 C16 -174.3(3) . . . . ?
N2 C14 C15 C20 6.6(5) . . . . ?
C20 C15 C16 C17 -2.1(5) . . . . ?
C14 C15 C16 C17 178.8(3) . . . . ?
C15 C16 C17 C18 0.1(5) . . . . ?
C15 C16 C17 Cl2 179.9(2) . . . . ?
C16 C17 C18 C19 0.8(5) . . . . ?
Cl2 C17 C18 C19 -179.0(3) . . . . ?
C17 C18 C19 C20 0.2(5) . . . . ?
Ru1 O2 C20 C19 161.9(2) . . . . ?
Ru1 O2 C20 C15 -19.6(4) . . . . ?
C18 C19 C20 O2 176.5(3) . . . . ?
C18 C19 C20 C15 -2.1(5) . . . . ?
C16 C15 C20 O2 -175.5(3) . . . . ?
C14 C15 C20 O2 3.5(5) . . . . ?
C16 C15 C20 C19 3.0(4) . . . . ?
C14 C15 C20 C19 -178.0(3) . . . . ?
Ru1 N3 C21 C22 -85.6(3) . . . . ?
N3 C21 C22 C23 -50.5(4) . . . . ?
N3 C21 C22 C27 131.7(3) . . . . ?
C27 C22 C23 C24 -2.6(5) . . . . ?
C21 C22 C23 C24 179.6(3) . . . . ?
C22 C23 C24 C25 2.6(6) . . . . ?
C23 C24 C25 C26 -1.2(6) . . . . ?
C24 C25 C26 C27 -0.1(7) . . . . ?
C25 C26 C27 C22 0.0(7) . . . . ?
C23 C22 C27 C26 1.3(6) . . . . ?
C21 C22 C27 C26 179.2(4) . . . . ?
Ru1 N4 C28 C29 133.8(3) . . . . ?
N4 C28 C29 C34 -109.0(5) . . . . ?
N4 C28 C29 C30 71.3(5) . . . . ?
C34 C29 C30 C31 -0.9(7) . . . . ?
C28 C29 C30 C31 178.7(4) . . . . ?
C29 C30 C31 C32 -0.8(8) . . . . ?
C30 C31 C32 C33 1.9(9) . . . . ?
C31 C32 C33 C34 -1.3(10) . . . . ?
C32 C33 C34 C29 -0.5(9) . . . . ?
C30 C29 C34 C33 1.6(8) . . . . ?
C28 C29 C34 C33 -178.1(5) . . . . ?

_refine_diff_density_max         0.955
_refine_diff_density_min         -0.660
_refine_diff_density_rms         0.070

