# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2060551'
loop_
_audit_author_name
_audit_author_address
'Mani Ganeshpandian'
;SRM University
India
;
_audit_update_record             
;
2021-02-02 deposited with the CCDC.	2021-05-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H36 Cl3 F6 N2 O2 P Ru'
_chemical_formula_weight         893.07

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'
O O 0.0106 0.0060 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

_cell_length_a                   10.4890(7)
_cell_length_b                   16.8744(10)
_cell_length_c                   21.4270(12)
_cell_angle_alpha                90
_cell_angle_beta                 97.107(7)
_cell_angle_gamma                90
_cell_volume                     3763.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    7630
_cell_measurement_theta_min      3.487
_cell_measurement_theta_max      26.367

_exptl_crystal_description       cube
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_F_000             1808
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.40
_exptl_absorpt_coefficient_mu    0.738
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  EOS,Gemini
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14712
_diffrn_reflns_av_unetI/netI     0.0510
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.487
_diffrn_reflns_theta_max         26.367
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             7630
_reflns_number_gt                5971
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_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)+(0.0819P)²+9.6840P] 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         7630
_refine_ls_number_parameters     469
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0861
_refine_ls_R_factor_gt           0.0665
_refine_ls_wR_factor_ref         0.1800
_refine_ls_wR_factor_gt          0.1662
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.000
_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 0.56070(4) 0.29152(2) 0.35117(2) 0.03385(15) Uani 1 1 d . . . . .
Cl1 Cl 0.40411(13) 0.30746(9) 0.42194(6) 0.0483(3) Uani 1 1 d . . . . .
P1 P 0.8457(2) -0.04029(12) 0.67630(9) 0.0690(5) Uani 1 1 d . . . . .
Cl2 Cl 0.9975(3) 0.1677(2) 0.82189(19) 0.1481(13) Uani 1 1 d . . . . .
N2 N 0.6553(4) 0.3817(2) 0.40441(18) 0.0341(9) Uani 1 1 d . . . . .
N1 N 0.6638(4) 0.2294(2) 0.42505(19) 0.0358(9) Uani 1 1 d . . . . .
O2 O 0.5933(5) 0.7054(2) 0.3704(2) 0.0590(11) Uani 1 1 d . . . . .
C11 C 0.7183(4) 0.3585(3) 0.4568(2) 0.0327(10) Uani 1 1 d . . . . .
C12 C 0.7238(5) 0.2725(3) 0.4687(2) 0.0352(11) Uani 1 1 d . . . . .
C10 C 0.7858(5) 0.3981(3) 0.5119(2) 0.0393(11) Uani 1 1 d . . . . .
C13 C 0.6650(5) 0.1448(3) 0.4306(2) 0.0387(11) Uani 1 1 d . . . . .
C20 C 0.6370(5) 0.4647(3) 0.3942(2) 0.0339(10) Uani 1 1 d . . . . .
C4 C 0.7929(5) 0.2600(3) 0.5314(2) 0.0387(11) Uani 1 1 d . . . . .
C5 C 0.8266(5) 0.3369(3) 0.5540(2) 0.0406(12) Uani 1 1 d . . . . .
C23 C 0.6020(6) 0.6258(3) 0.3793(2) 0.0439(12) Uani 1 1 d . . . . .
C32 C 0.5164(6) 0.1938(3) 0.2836(3) 0.0508(14) Uani 1 1 d . . . . .
H32 H 0.5078 0.1399 0.2996 0.061 Uiso 1 1 calc R U . . .
O1 O 0.6563(6) -0.0974(3) 0.4481(3) 0.0899(17) Uani 1 1 d . . . . .
C26 C 0.4912(7) 0.7457(4) 0.3939(3) 0.0626(17) Uani 1 1 d . . . . .
H26A H 0.4959 0.8012 0.3845 0.094 Uiso 1 1 calc R U . . .
H26B H 0.4975 0.7385 0.4386 0.094 Uiso 1 1 calc R U . . .
H26C H 0.4107 0.7248 0.3745 0.094 Uiso 1 1 calc R U . . .
C21 C 0.7153(6) 0.5070(3) 0.3601(3) 0.0513(15) Uani 1 1 d . . . . .
H21 H 0.7794 0.4816 0.3413 0.062 Uiso 1 1 calc R U . . .
C18 C 0.5502(5) 0.1032(3) 0.4246(3) 0.0445(12) Uani 1 1 d . . . . .
H18 H 0.4726 0.1302 0.4169 0.053 Uiso 1 1 calc R U . . .
C9 C 0.8114(6) 0.4750(3) 0.5280(3) 0.0535(15) Uani 1 1 d . . . . .
H9 H 0.7844 0.5162 0.5007 0.064 Uiso 1 1 calc R U . . .
C31 C 0.4122(6) 0.2443(4) 0.2800(3) 0.0499(14) Uani 1 1 d . . . . .
H31 H 0.3320 0.2248 0.2936 0.060 Uiso 1 1 calc R U . . .
C14 C 0.7803(6) 0.1045(3) 0.4402(3) 0.0489(13) Uani 1 1 d . . . . .
H14 H 0.8575 0.1321 0.4431 0.059 Uiso 1 1 calc R U . . .
C30 C 0.4242(6) 0.3275(4) 0.2682(2) 0.0484(14) Uani 1 1 d . . . . .
C3 C 0.8246(6) 0.1966(4) 0.5703(3) 0.0502(14) Uani 1 1 d . . . . .
H3 H 0.8014 0.1454 0.5574 0.060 Uiso 1 1 calc R U . . .
C22 C 0.6984(6) 0.5873(4) 0.3538(3) 0.0572(16) Uani 1 1 d . . . . .
H22 H 0.7536 0.6163 0.3318 0.069 Uiso 1 1 calc R U . . .
C35 C 0.5465(6) 0.3551(3) 0.2607(2) 0.0474(13) Uani 1 1 d . . . . .
H35 H 0.5615 0.4125 0.2612 0.057 Uiso 1 1 calc R U . . .
C34 C 0.6540(6) 0.3038(4) 0.2659(2) 0.0508(15) Uani 1 1 d . . . . .
H34 H 0.7405 0.3265 0.2690 0.061 Uiso 1 1 calc R U . . .
C33 C 0.6398(6) 0.2229(4) 0.2770(3) 0.0518(15) Uani 1 1 d . . . . .
C8 C 0.8802(7) 0.4899(4) 0.5876(3) 0.071(2) Uani 1 1 d . . . . .
H8 H 0.8991 0.5422 0.5990 0.085 Uiso 1 1 calc R U . . .
C6 C 0.8951(5) 0.3512(4) 0.6137(3) 0.0495(14) Uani 1 1 d . . . . .
F5 F 0.8766(8) -0.1044(4) 0.7286(3) 0.159(3) Uani 1 1 d . . . . .
C16 C 0.6649(7) -0.0178(3) 0.4417(3) 0.0592(17) Uani 1 1 d . . . . .
C2 C 0.8932(7) 0.2105(4) 0.6306(3) 0.0605(17) Uani 1 1 d . . . . .
H2 H 0.9148 0.1675 0.6569 0.073 Uiso 1 1 calc R U . . .
C28 C 0.3059(7) 0.3790(5) 0.2624(3) 0.0655(18) Uani 1 1 d . . . . .
H28 H 0.2565 0.3654 0.2969 0.079 Uiso 1 1 calc R U . . .
C24 C 0.5207(6) 0.5823(3) 0.4118(3) 0.0512(14) Uani 1 1 d . . . . .
H24 H 0.4540 0.6073 0.4290 0.061 Uiso 1 1 calc R U . . .
C1 C 0.9287(6) 0.2846(4) 0.6511(3) 0.0608(17) Uani 1 1 d . . . . .
H1 H 0.9758 0.2910 0.6905 0.073 Uiso 1 1 calc R U . . .
C17 C 0.5513(7) 0.0224(3) 0.4300(3) 0.0558(16) Uani 1 1 d . . . . .
H17 H 0.4741 -0.0054 0.4256 0.067 Uiso 1 1 calc R U . . .
C25 C 0.5384(6) 0.5019(3) 0.4189(3) 0.0465(13) Uani 1 1 d . . . . .
H25 H 0.4830 0.4726 0.4405 0.056 Uiso 1 1 calc R U . . .
C15 C 0.7803(7) 0.0224(4) 0.4456(3) 0.0593(16) Uani 1 1 d . . . . .
H15 H 0.8575 -0.0053 0.4519 0.071 Uiso 1 1 calc R U . . .
C7 C 0.9204(7) 0.4317(4) 0.6294(3) 0.0644(18) Uani 1 1 d . . . . .
H7 H 0.9647 0.4447 0.6683 0.077 Uiso 1 1 calc R U . . .
C36 C 0.7535(7) 0.1683(5) 0.2814(4) 0.074(2) Uani 1 1 d . . . . .
H36A H 0.7264 0.1153 0.2891 0.111 Uiso 1 1 calc R U . . .
H36B H 0.8163 0.1850 0.3153 0.111 Uiso 1 1 calc R U . . .
H36C H 0.7905 0.1698 0.2426 0.111 Uiso 1 1 calc R U . . .
F4 F 0.7707(7) -0.1023(4) 0.6334(3) 0.154(3) Uani 1 1 d . . . . .
C27 C 0.3331(10) 0.4660(6) 0.2657(5) 0.113(3) Uani 1 1 d . . . . .
H27A H 0.2535 0.4948 0.2619 0.169 Uiso 1 1 calc R U . . .
H27B H 0.3807 0.4808 0.2320 0.169 Uiso 1 1 calc R U . . .
H27C H 0.3825 0.4783 0.3052 0.169 Uiso 1 1 calc R U . . .
C19 C 0.7669(10) -0.1403(5) 0.4730(4) 0.101(3) Uani 1 1 d . . . . .
H19A H 0.7460 -0.1956 0.4750 0.151 Uiso 1 1 calc R U . . .
H19B H 0.7965 -0.1213 0.5144 0.151 Uiso 1 1 calc R U . . .
H19C H 0.8333 -0.1333 0.4464 0.151 Uiso 1 1 calc R U . . .
F1 F 0.8936(11) 0.0211(5) 0.7258(4) 0.210(4) Uani 1 1 d . . . . .
F6 F 0.7118(9) -0.0317(7) 0.7031(4) 0.201(4) Uani 1 1 d . . . . .
F2 F 0.8038(12) 0.0208(4) 0.6267(4) 0.217(5) Uani 1 1 d . . . . .
C29 C 0.2243(9) 0.3592(7) 0.2008(4) 0.120(4) Uani 1 1 d . . . . .
H29A H 0.2068 0.3033 0.1991 0.180 Uiso 1 1 calc R U . . .
H29B H 0.2697 0.3738 0.1662 0.180 Uiso 1 1 calc R U . . .
H29C H 0.1448 0.3879 0.1980 0.180 Uiso 1 1 calc R U . . .
Cl3 Cl 1.0468(4) 0.2041(2) 0.9544(2) 0.191(2) Uani 1 1 d . . . . .
F3 F 0.9630(8) -0.0589(10) 0.6513(6) 0.299(8) Uani 1 1 d . . . . .
C37 C 1.0763(9) 0.2315(6) 0.8816(7) 0.136(5) Uani 1 1 d . . . . .
H37A H 1.1682 0.2303 0.8797 0.164 Uiso 1 1 calc R U . . .
H37B H 1.0470 0.2855 0.8736 0.164 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 N2 2.078(4) . ?
Ru1 N1 2.086(4) . ?
Ru1 C34 2.186(5) . ?
Ru1 C31 2.191(5) . ?
Ru1 C35 2.205(5) . ?
Ru1 C32 2.205(5) . ?
Ru1 C33 2.209(5) . ?
Ru1 C30 2.225(5) . ?
Ru1 Cl1 2.3846(14) . ?
P1 F3 1.436(8) . ?
P1 F2 1.506(7) . ?
P1 F1 1.522(7) . ?
P1 F4 1.542(6) . ?
P1 F5 1.563(6) . ?
P1 F6 1.588(8) . ?
Cl2 C37 1.793(14) . ?
N2 C11 1.292(6) . ?
N2 C20 1.427(6) . ?
N1 C12 1.287(6) . ?
N1 C13 1.433(6) . ?
O2 C23 1.359(6) . ?
O2 C26 1.414(7) . ?
C11 C10 1.461(7) . ?
C11 C12 1.472(7) . ?
C12 C4 1.461(7) . ?
C10 C9 1.361(8) . ?
C10 C5 1.403(7) . ?
C13 C14 1.380(8) . ?
C13 C18 1.385(7) . ?
C20 C21 1.366(7) . ?
C20 C25 1.372(7) . ?
C4 C3 1.371(8) . ?
C4 C5 1.415(8) . ?
C5 C6 1.407(7) . ?
C23 C22 1.371(8) . ?
C23 C24 1.377(8) . ?
C32 C31 1.381(9) . ?
C32 C33 1.407(9) . ?
C32 H32 0.9800 . ?
O1 C16 1.355(7) . ?
O1 C19 1.415(10) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C21 C22 1.372(8) . ?
C21 H21 0.9300 . ?
C18 C17 1.369(8) . ?
C18 H18 0.9300 . ?
C9 C8 1.411(9) . ?
C9 H9 0.9300 . ?
C31 C30 1.435(8) . ?
C31 H31 0.9800 . ?
C14 C15 1.390(8) . ?
C14 H14 0.9300 . ?
C30 C35 1.393(8) . ?
C30 C28 1.507(9) . ?
C3 C2 1.418(9) . ?
C3 H3 0.9300 . ?
C22 H22 0.9300 . ?
C35 C34 1.415(9) . ?
C35 H35 0.9800 . ?
C34 C33 1.397(8) . ?
C34 H34 0.9800 . ?
C33 C36 1.501(9) . ?
C8 C7 1.360(10) . ?
C8 H8 0.9300 . ?
C6 C1 1.401(9) . ?
C6 C7 1.416(9) . ?
C16 C17 1.367(9) . ?
C16 C15 1.381(10) . ?
C2 C1 1.362(9) . ?
C2 H2 0.9300 . ?
C28 C27 1.496(12) . ?
C28 C29 1.520(10) . ?
C28 H28 0.9800 . ?
C24 C25 1.375(8) . ?
C24 H24 0.9300 . ?
C1 H1 0.9300 . ?
C17 H17 0.9300 . ?
C25 H25 0.9300 . ?
C15 H15 0.9300 . ?
C7 H7 0.9300 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
Cl3 C37 1.691(15) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?

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 N1 77.53(16) . . ?
N2 Ru1 C34 99.01(19) . . ?
N1 Ru1 C34 116.0(2) . . ?
N2 Ru1 C31 153.9(2) . . ?
N1 Ru1 C31 127.0(2) . . ?
C34 Ru1 C31 78.8(2) . . ?
N2 Ru1 C35 95.85(18) . . ?
N1 Ru1 C35 152.2(2) . . ?
C34 Ru1 C35 37.6(2) . . ?
C31 Ru1 C35 66.4(2) . . ?
N2 Ru1 C32 162.7(2) . . ?
N1 Ru1 C32 99.74(19) . . ?
C34 Ru1 C32 66.6(2) . . ?
C31 Ru1 C32 36.6(2) . . ?
C35 Ru1 C32 78.6(2) . . ?
N2 Ru1 C33 125.6(2) . . ?
N1 Ru1 C33 94.41(19) . . ?
C34 Ru1 C33 37.1(2) . . ?
C31 Ru1 C33 66.8(2) . . ?
C35 Ru1 C33 67.3(2) . . ?
C32 Ru1 C33 37.2(2) . . ?
N2 Ru1 C30 117.07(19) . . ?
N1 Ru1 C30 164.92(19) . . ?
C34 Ru1 C30 67.5(2) . . ?
C31 Ru1 C30 37.9(2) . . ?
C35 Ru1 C30 36.6(2) . . ?
C32 Ru1 C30 67.5(2) . . ?
C33 Ru1 C30 80.2(2) . . ?
N2 Ru1 Cl1 83.58(11) . . ?
N1 Ru1 Cl1 84.67(12) . . ?
C34 Ru1 Cl1 159.29(18) . . ?
C31 Ru1 Cl1 89.83(16) . . ?
C35 Ru1 Cl1 121.82(17) . . ?
C32 Ru1 Cl1 113.32(17) . . ?
C33 Ru1 Cl1 150.00(17) . . ?
C30 Ru1 Cl1 92.95(16) . . ?
F3 P1 F2 94.3(7) . . ?
F3 P1 F1 100.6(8) . . ?
F2 P1 F1 93.9(5) . . ?
F3 P1 F4 91.6(7) . . ?
F2 P1 F4 87.8(5) . . ?
F1 P1 F4 167.6(6) . . ?
F3 P1 F5 90.3(6) . . ?
F2 P1 F5 175.1(6) . . ?
F1 P1 F5 87.1(5) . . ?
F4 P1 F5 90.2(4) . . ?
F3 P1 F6 172.5(8) . . ?
F2 P1 F6 90.0(6) . . ?
F1 P1 F6 85.2(6) . . ?
F4 P1 F6 82.5(5) . . ?
F5 P1 F6 85.3(5) . . ?
C11 N2 C20 118.4(4) . . ?
C11 N2 Ru1 114.5(3) . . ?
C20 N2 Ru1 126.0(3) . . ?
C12 N1 C13 120.3(4) . . ?
C12 N1 Ru1 115.3(3) . . ?
C13 N1 Ru1 124.3(3) . . ?
C23 O2 C26 117.7(5) . . ?
N2 C11 C10 135.2(5) . . ?
N2 C11 C12 117.0(4) . . ?
C10 C11 C12 107.8(4) . . ?
N1 C12 C4 136.8(5) . . ?
N1 C12 C11 115.3(4) . . ?
C4 C12 C11 107.8(4) . . ?
C9 C10 C5 120.3(5) . . ?
C9 C10 C11 134.5(5) . . ?
C5 C10 C11 105.2(4) . . ?
C14 C13 C18 120.0(5) . . ?
C14 C13 N1 120.1(5) . . ?
C18 C13 N1 119.8(5) . . ?
C21 C20 C25 119.9(5) . . ?
C21 C20 N2 121.1(5) . . ?
C25 C20 N2 119.0(4) . . ?
C3 C4 C5 118.4(5) . . ?
C3 C4 C12 136.7(5) . . ?
C5 C4 C12 104.9(4) . . ?
C10 C5 C6 122.6(5) . . ?
C10 C5 C4 114.3(5) . . ?
C6 C5 C4 123.1(5) . . ?
O2 C23 C22 116.8(5) . . ?
O2 C23 C24 124.3(5) . . ?
C22 C23 C24 118.9(5) . . ?
C31 C32 C33 120.7(6) . . ?
C31 C32 Ru1 71.1(3) . . ?
C33 C32 Ru1 71.5(3) . . ?
C31 C32 H32 119.0 . . ?
C33 C32 H32 119.0 . . ?
Ru1 C32 H32 119.0 . . ?
C16 O1 C19 119.0(7) . . ?
O2 C26 H26A 109.5 . . ?
O2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C20 C21 C22 119.3(5) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C17 C18 C13 119.9(6) . . ?
C17 C18 H18 120.1 . . ?
C13 C18 H18 120.1 . . ?
C10 C9 C8 117.5(6) . . ?
C10 C9 H9 121.2 . . ?
C8 C9 H9 121.2 . . ?
C32 C31 C30 121.9(6) . . ?
C32 C31 Ru1 72.3(3) . . ?
C30 C31 Ru1 72.3(3) . . ?
C32 C31 H31 118.6 . . ?
C30 C31 H31 118.6 . . ?
Ru1 C31 H31 118.6 . . ?
C13 C14 C15 119.6(6) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C35 C30 C31 116.7(6) . . ?
C35 C30 C28 123.9(6) . . ?
C31 C30 C28 119.3(6) . . ?
C35 C30 Ru1 70.9(3) . . ?
C31 C30 Ru1 69.7(3) . . ?
C28 C30 Ru1 131.7(4) . . ?
C4 C3 C2 118.8(6) . . ?
C4 C3 H3 120.6 . . ?
C2 C3 H3 120.6 . . ?
C23 C22 C21 121.4(5) . . ?
C23 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
C30 C35 C34 121.5(5) . . ?
C30 C35 Ru1 72.5(3) . . ?
C34 C35 Ru1 70.5(3) . . ?
C30 C35 H35 118.6 . . ?
C34 C35 H35 118.6 . . ?
Ru1 C35 H35 118.6 . . ?
C33 C34 C35 120.7(6) . . ?
C33 C34 Ru1 72.4(3) . . ?
C35 C34 Ru1 71.9(3) . . ?
C33 C34 H34 119.2 . . ?
C35 C34 H34 119.2 . . ?
Ru1 C34 H34 119.2 . . ?
C34 C33 C32 118.5(6) . . ?
C34 C33 C36 120.6(6) . . ?
C32 C33 C36 120.9(6) . . ?
C34 C33 Ru1 70.6(3) . . ?
C32 C33 Ru1 71.3(3) . . ?
C36 C33 Ru1 130.0(4) . . ?
C7 C8 C9 123.3(6) . . ?
C7 C8 H8 118.4 . . ?
C9 C8 H8 118.4 . . ?
C1 C6 C5 116.5(6) . . ?
C1 C6 C7 127.4(6) . . ?
C5 C6 C7 116.1(6) . . ?
O1 C16 C17 116.4(7) . . ?
O1 C16 C15 123.3(7) . . ?
C17 C16 C15 120.3(6) . . ?
C1 C2 C3 122.3(6) . . ?
C1 C2 H2 118.9 . . ?
C3 C2 H2 118.9 . . ?
C27 C28 C30 114.3(7) . . ?
C27 C28 C29 109.9(7) . . ?
C30 C28 C29 108.3(6) . . ?
C27 C28 H28 108.0 . . ?
C30 C28 H28 108.0 . . ?
C29 C28 H28 108.0 . . ?
C25 C24 C23 119.8(5) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C2 C1 C6 120.8(6) . . ?
C2 C1 H1 119.6 . . ?
C6 C1 H1 119.6 . . ?
C16 C17 C18 120.5(6) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C20 C25 C24 120.5(5) . . ?
C20 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C16 C15 C14 119.5(6) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C8 C7 C6 120.2(6) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O1 C19 H19A 109.5 . . ?
O1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Cl3 C37 Cl2 111.9(5) . . ?
Cl3 C37 H37A 109.2 . . ?
Cl2 C37 H37A 109.2 . . ?
Cl3 C37 H37B 109.2 . . ?
Cl2 C37 H37B 109.2 . . ?
H37A C37 H37B 107.9 . . ?

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
C20 N2 C11 C10 -3.3(8) . . . . ?
Ru1 N2 C11 C10 -171.8(5) . . . . ?
C20 N2 C11 C12 173.7(4) . . . . ?
Ru1 N2 C11 C12 5.2(5) . . . . ?
C13 N1 C12 C4 -6.3(9) . . . . ?
Ru1 N1 C12 C4 170.6(5) . . . . ?
C13 N1 C12 C11 178.4(4) . . . . ?
Ru1 N1 C12 C11 -4.7(5) . . . . ?
N2 C11 C12 N1 -0.3(6) . . . . ?
C10 C11 C12 N1 177.5(4) . . . . ?
N2 C11 C12 C4 -176.9(4) . . . . ?
C10 C11 C12 C4 0.9(5) . . . . ?
N2 C11 C10 C9 -2.5(11) . . . . ?
C12 C11 C10 C9 -179.7(6) . . . . ?
N2 C11 C10 C5 176.4(5) . . . . ?
C12 C11 C10 C5 -0.8(5) . . . . ?
C12 N1 C13 C14 -55.4(7) . . . . ?
Ru1 N1 C13 C14 128.0(5) . . . . ?
C12 N1 C13 C18 126.4(5) . . . . ?
Ru1 N1 C13 C18 -50.2(6) . . . . ?
C11 N2 C20 C21 97.7(6) . . . . ?
Ru1 N2 C20 C21 -95.2(6) . . . . ?
C11 N2 C20 C25 -82.7(6) . . . . ?
Ru1 N2 C20 C25 84.4(5) . . . . ?
N1 C12 C4 C3 0.9(11) . . . . ?
C11 C12 C4 C3 176.4(6) . . . . ?
N1 C12 C4 C5 -176.1(6) . . . . ?
C11 C12 C4 C5 -0.5(5) . . . . ?
C9 C10 C5 C6 -0.3(8) . . . . ?
C11 C10 C5 C6 -179.4(5) . . . . ?
C9 C10 C5 C4 179.6(5) . . . . ?
C11 C10 C5 C4 0.5(6) . . . . ?
C3 C4 C5 C10 -177.6(5) . . . . ?
C12 C4 C5 C10 0.0(6) . . . . ?
C3 C4 C5 C6 2.3(8) . . . . ?
C12 C4 C5 C6 180.0(5) . . . . ?
C26 O2 C23 C22 177.3(6) . . . . ?
C26 O2 C23 C24 -2.5(9) . . . . ?
C25 C20 C21 C22 3.5(9) . . . . ?
N2 C20 C21 C22 -176.9(6) . . . . ?
C14 C13 C18 C17 1.8(8) . . . . ?
N1 C13 C18 C17 -180.0(5) . . . . ?
C5 C10 C9 C8 0.5(9) . . . . ?
C11 C10 C9 C8 179.2(6) . . . . ?
C33 C32 C31 C30 1.3(8) . . . . ?
Ru1 C32 C31 C30 55.0(5) . . . . ?
C33 C32 C31 Ru1 -53.7(5) . . . . ?
C18 C13 C14 C15 -1.9(9) . . . . ?
N1 C13 C14 C15 179.9(5) . . . . ?
C32 C31 C30 C35 -0.2(8) . . . . ?
Ru1 C31 C30 C35 54.8(4) . . . . ?
C32 C31 C30 C28 177.8(5) . . . . ?
Ru1 C31 C30 C28 -127.3(5) . . . . ?
C32 C31 C30 Ru1 -55.0(5) . . . . ?
C5 C4 C3 C2 -2.0(8) . . . . ?
C12 C4 C3 C2 -178.7(6) . . . . ?
O2 C23 C22 C21 -179.9(6) . . . . ?
C24 C23 C22 C21 0.0(10) . . . . ?
C20 C21 C22 C23 -2.2(10) . . . . ?
C31 C30 C35 C34 -1.4(8) . . . . ?
C28 C30 C35 C34 -179.2(5) . . . . ?
Ru1 C30 C35 C34 52.8(5) . . . . ?
C31 C30 C35 Ru1 -54.2(4) . . . . ?
C28 C30 C35 Ru1 128.0(5) . . . . ?
C30 C35 C34 C33 1.9(8) . . . . ?
Ru1 C35 C34 C33 55.6(5) . . . . ?
C30 C35 C34 Ru1 -53.7(5) . . . . ?
C35 C34 C33 C32 -0.8(8) . . . . ?
Ru1 C34 C33 C32 54.6(5) . . . . ?
C35 C34 C33 C36 178.9(5) . . . . ?
Ru1 C34 C33 C36 -125.7(5) . . . . ?
C35 C34 C33 Ru1 -55.4(5) . . . . ?
C31 C32 C33 C34 -0.8(8) . . . . ?
Ru1 C32 C33 C34 -54.3(5) . . . . ?
C31 C32 C33 C36 179.6(6) . . . . ?
Ru1 C32 C33 C36 126.1(6) . . . . ?
C31 C32 C33 Ru1 53.5(5) . . . . ?
C10 C9 C8 C7 -0.7(11) . . . . ?
C10 C5 C6 C1 179.4(5) . . . . ?
C4 C5 C6 C1 -0.6(8) . . . . ?
C10 C5 C6 C7 0.4(8) . . . . ?
C4 C5 C6 C7 -179.6(5) . . . . ?
C19 O1 C16 C17 -167.0(7) . . . . ?
C19 O1 C16 C15 14.1(11) . . . . ?
C4 C3 C2 C1 0.0(10) . . . . ?
C35 C30 C28 C27 -16.2(9) . . . . ?
C31 C30 C28 C27 166.0(6) . . . . ?
Ru1 C30 C28 C27 77.8(8) . . . . ?
C35 C30 C28 C29 106.7(8) . . . . ?
C31 C30 C28 C29 -71.1(8) . . . . ?
Ru1 C30 C28 C29 -159.3(6) . . . . ?
O2 C23 C24 C25 -179.3(6) . . . . ?
C22 C23 C24 C25 0.8(10) . . . . ?
C3 C2 C1 C6 1.8(10) . . . . ?
C5 C6 C1 C2 -1.5(9) . . . . ?
C7 C6 C1 C2 177.4(7) . . . . ?
O1 C16 C17 C18 178.2(6) . . . . ?
C15 C16 C17 C18 -2.8(10) . . . . ?
C13 C18 C17 C16 0.5(9) . . . . ?
C21 C20 C25 C24 -2.7(9) . . . . ?
N2 C20 C25 C24 177.7(5) . . . . ?
C23 C24 C25 C20 0.5(10) . . . . ?
O1 C16 C15 C14 -178.3(6) . . . . ?
C17 C16 C15 C14 2.8(10) . . . . ?
C13 C14 C15 C16 -0.4(10) . . . . ?
C9 C8 C7 C6 0.7(12) . . . . ?
C1 C6 C7 C8 -179.5(7) . . . . ?
C5 C6 C7 C8 -0.6(9) . . . . ?

_refine_diff_density_max         1.889
_refine_diff_density_min         -1.254
_refine_diff_density_rms         0.100

_shelxl_version_number           2013-4



