# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2447172'
loop_
_audit_author_name
_audit_author_address
'jiaomei GUO'
;Southern University of Science and Technology
China
;
_audit_update_record             
;
2025-05-13 deposited with the CCDC.	2025-07-09 downloaded from the CCDC.
;
_audit_creation_date             2025-05-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.04.05 svn.rf049d14d for OlexSys, GUI svn.r7224)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C73 H62 O5 P3 Ru, C F3 O3 S, H2 O, 1.5(C H2 Cl2)'
_chemical_formula_sum            'C75.50 H67 Cl3 F3 O9 P3 Ru S'
_chemical_formula_weight         1507.68
_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 0.0181 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'
Cl Cl 0.3639 0.7018 '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'
O O 0.0492 0.0322 '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'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.7589(4)
_cell_length_b                   16.0325(4)
_cell_length_c                   17.4998(6)
_cell_angle_alpha                91.986(2)
_cell_angle_beta                 94.645(3)
_cell_angle_gamma                103.761(2)
_cell_volume                     3460.16(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    12457
_cell_measurement_temperature    173.00(14)
_cell_measurement_theta_max      62.2620
_cell_measurement_theta_min      3.7060
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.387
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88733
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1550
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            29700
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        62.139
_diffrn_reflns_theta_max         62.139
_diffrn_reflns_theta_min         3.582
_diffrn_ambient_temperature      173.00(14)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10013
_reflns_number_total             10882
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.277
_refine_diff_density_min         -1.047
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     868
_refine_ls_number_reflns         10882
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0439
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0613P)²+4.5925P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1137
_refine_ls_wR_factor_ref         0.1168
_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, All O(H,H) groups
2. Restrained distances
 Cl3S_$1-C3S
 1.77 with sigma of 0.01
 C3S_$1-C3S
 2.2 with sigma of 0.02
3. Others
 Fixed Sof: C3S(0.5) H3SA(0.5) H3SB(0.5)
4.a Free rotating group:
 O4S(H4SA,H4SB)
4.b Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C3S(H3SA,H3SB), C13(H13A,H13B), C15(H15A,H15B)
4.c Me refined with riding coordinates:
 C12(H12A,H12B,H12C), C17(H17A,H17B,H17C), C19(H19A,H19B,H19C)
4.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C8(H8), C9(H9), C23(H23), C25(H25), C27(H27), C28(H28),
 C29(H29), C34(H34), C36(H36), C37(H37), C38(H38), C40(H40), C41(H41), C43(H43),
  C44(H44), C45(H45), C46(H46), C48(H48), C49(H49), C50(H50), C51(H51),
 C52(H52), C53(H53), C54(H54), C58(H58), C59(H59), C60(H60), C61(H61), C64(H64),
  C65(H65), C67(H67), C68(H68), C69(H69), C70(H70), C72(H72), C73(H73),
 C74(H74), C75(H75), C76(H76), C82(H82), C84(H84), C85(H85), C86(H86), C88(H88),
  C104(H104), C116(H116), C180(H180)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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 0.95533(2) 0.77192(2) 0.71867(2) 0.01860(9) Uani 1 1 d . . . . .
P1 P 0.91067(6) 0.68100(5) 0.60414(4) 0.02275(17) Uani 1 1 d . . . . .
P2 P 1.00372(6) 0.86351(5) 0.83257(4) 0.02103(17) Uani 1 1 d . . . . .
P3 P 0.59456(6) 0.67663(5) 0.78028(5) 0.02397(17) Uani 1 1 d . . . . .
O1 O 0.93255(17) 0.88932(13) 0.65921(12) 0.0259(5) Uani 1 1 d . . . . .
O1S O 0.7040(5) 0.1433(4) 0.7593(3) 0.128(2) Uani 1 1 d . . . . .
O2 O 1.0960(2) 0.44528(17) 0.72342(15) 0.0463(7) Uani 1 1 d . . . . .
O2S O 0.5468(5) 0.1490(6) 0.8194(3) 0.189(4) Uani 1 1 d . . . . .
O3 O 0.9887(2) 0.38091(16) 0.80884(16) 0.0445(6) Uani 1 1 d . . . . .
O3S O 0.6721(3) 0.2758(2) 0.7871(3) 0.0948(14) Uani 1 1 d . . . . .
O4 O 1.2194(3) 0.4475(2) 0.89497(17) 0.0539(8) Uani 1 1 d . . . . .
O4S O 0.7133(3) 0.4233(3) 0.8865(3) 0.0812(11) Uani 1 1 d G . . . .
H4SA H 0.699345 0.374355 0.862469 0.122 Uiso 1 1 d G U . . .
H4SB H 0.766362 0.422739 0.919049 0.122 Uiso 1 1 d G U . . .
O5 O 1.1452(3) 0.5156(2) 0.98006(16) 0.0558(8) Uani 1 1 d . . . . .
C1 C 0.7908(2) 0.75434(19) 0.72697(17) 0.0213(6) Uani 1 1 d . . . . .
H1 H 0.752554 0.790251 0.700306 0.026 Uiso 1 1 calc R U . . .
C1S C 0.7786(6) 1.0415(4) 0.6173(4) 0.090(2) Uani 1 1 d . . . . .
H1SA H 0.803717 0.987910 0.622335 0.108 Uiso 1 1 calc R U . . .
H1SB H 0.737482 1.048574 0.661721 0.108 Uiso 1 1 calc R U . . .
C2 C 0.7362(2) 0.69186(19) 0.77024(17) 0.0219(6) Uani 1 1 d . . . . .
C2S C 0.5495(4) 0.1803(3) 0.6821(4) 0.0698(15) Uani 1 1 d . . . . .
C3 C 0.8043(2) 0.64306(19) 0.80732(18) 0.0235(6) Uani 1 1 d . . . . .
H3 H 0.778663 0.598199 0.840189 0.028 Uiso 1 1 calc R U . . .
C3S C 0.5289(7) 0.9604(5) 1.0375(5) 0.066(3) Uani 0.5 1 d D . P A 1
H3SA H 0.487371 0.926152 1.075994 0.079 Uiso 0.5 1 calc R U P A 1
H3SB H 0.600303 0.946206 1.037931 0.079 Uiso 0.5 1 calc R U P A 1
C4 C 0.9091(2) 0.66728(18) 0.79083(17) 0.0213(6) Uani 1 1 d . . . . .
C5 C 0.9908(2) 0.62413(19) 0.81522(17) 0.0226(6) Uani 1 1 d . . . . .
C6 C 1.0873(2) 0.65237(19) 0.78685(18) 0.0238(6) Uani 1 1 d . . . . .
C7 C 1.0978(2) 0.72424(19) 0.74023(17) 0.0227(6) Uani 1 1 d . . . . .
C8 C 1.1926(3) 0.7608(2) 0.70792(19) 0.0274(7) Uani 1 1 d . . . . .
H8 H 1.256942 0.740871 0.715022 0.033 Uiso 1 1 calc R U . . .
C9 C 1.1834(3) 0.8301(2) 0.66377(19) 0.0286(7) Uani 1 1 d . . . . .
H9 H 1.239924 0.862798 0.637175 0.034 Uiso 1 1 calc R U . . .
C10 C 1.0822(2) 0.84466(19) 0.66400(17) 0.0243(6) Uani 1 1 d . . . . .
C11 C 1.0304(3) 0.9076(2) 0.64054(18) 0.0262(7) Uani 1 1 d . . . . .
C12 C 1.0769(3) 0.9898(3) 0.6044(3) 0.0467(10) Uani 1 1 d . . . . .
H12A H 1.151941 0.992107 0.594445 0.070 Uiso 1 1 calc R U . . .
H12B H 1.033953 0.992560 0.555966 0.070 Uiso 1 1 calc R U . . .
H12C H 1.075119 1.038543 0.639254 0.070 Uiso 1 1 calc R U . . .
C13 C 0.9888(3) 0.5498(2) 0.8656(2) 0.0292(7) Uani 1 1 d . . . . .
H13A H 0.922447 0.503326 0.852909 0.035 Uiso 1 1 calc R U . . .
H13B H 0.993764 0.568305 0.920632 0.035 Uiso 1 1 calc R U . . .
C14 C 1.0919(3) 0.5209(2) 0.8454(2) 0.0291(7) Uani 1 1 d . . . . .
C15 C 1.1671(3) 0.6012(2) 0.8126(2) 0.0295(7) Uani 1 1 d . . . . .
H15A H 1.222147 0.633721 0.852779 0.035 Uiso 1 1 calc R U . . .
H15B H 1.203897 0.584236 0.769060 0.035 Uiso 1 1 calc R U . . .
C16 C 1.0616(3) 0.4462(2) 0.7846(2) 0.0301(7) Uani 1 1 d . . . . .
C17 C 0.9514(4) 0.3055(3) 0.7562(3) 0.0548(11) Uani 1 1 d . . . . .
H17A H 0.898363 0.261776 0.779879 0.082 Uiso 1 1 calc R U . . .
H17B H 0.917598 0.321629 0.708521 0.082 Uiso 1 1 calc R U . . .
H17C H 1.013206 0.282197 0.744853 0.082 Uiso 1 1 calc R U . . .
C18 C 1.1535(3) 0.4950(2) 0.9157(2) 0.0319(8) Uani 1 1 d . . . . .
C19 C 1.2882(4) 0.4238(4) 0.9567(3) 0.0646(13) Uani 1 1 d . . . . .
H19A H 1.333409 0.388929 0.935313 0.097 Uiso 1 1 calc R U . . .
H19B H 1.334600 0.475951 0.983388 0.097 Uiso 1 1 calc R U . . .
H19C H 1.242782 0.390546 0.993071 0.097 Uiso 1 1 calc R U . . .
C23 C 0.4762(3) 0.6603(2) 0.9078(2) 0.0391(8) Uani 1 1 d . . . . .
H23 H 0.423006 0.618046 0.877272 0.047 Uiso 1 1 calc R U . . .
C25 C 0.6374(3) 0.4378(2) 0.6313(2) 0.0462(10) Uani 1 1 d . . . . .
H25 H 0.580912 0.388630 0.637629 0.055 Uiso 1 1 calc R U . . .
C27 C 0.5347(4) 0.7426(3) 1.0267(2) 0.0471(10) Uani 1 1 d . . . . .
H27 H 0.521556 0.757455 1.077423 0.057 Uiso 1 1 calc R U . . .
C28 C 0.6302(3) 0.7821(2) 0.9979(2) 0.0433(9) Uani 1 1 d . . . . .
H28 H 0.683285 0.823497 1.029272 0.052 Uiso 1 1 calc R U . . .
C29 C 0.8197(3) 0.5203(2) 0.6619(2) 0.0343(8) Uani 1 1 d . . . . .
H29 H 0.887751 0.527393 0.690919 0.041 Uiso 1 1 calc R U . . .
C32 C 0.5156(3) 0.5682(2) 0.7584(2) 0.0298(7) Uani 1 1 d . . . . .
C33 C 0.5443(3) 0.7485(2) 0.7189(2) 0.0316(7) Uani 1 1 d . . . . .
C34 C 1.0797(3) 1.0447(2) 0.8328(2) 0.0352(8) Uani 1 1 d . . . . .
H34 H 1.008726 1.046912 0.844009 0.042 Uiso 1 1 calc R U . . .
C36 C 0.7496(3) 1.0001(2) 0.9123(2) 0.0373(8) Uani 1 1 d . . . . .
H36 H 0.700061 1.031918 0.927596 0.045 Uiso 1 1 calc R U . . .
C37 C 0.7947(3) 0.7868(2) 0.5278(2) 0.0311(7) Uani 1 1 d . . . . .
H37 H 0.782925 0.805658 0.577733 0.037 Uiso 1 1 calc R U . . .
C38 C 1.2609(3) 1.1189(2) 0.8102(2) 0.0434(9) Uani 1 1 d . . . . .
H38 H 1.313917 1.170939 0.806065 0.052 Uiso 1 1 calc R U . . .
C40 C 1.2104(3) 0.9646(2) 0.80688(19) 0.0328(7) Uani 1 1 d . . . . .
H40 H 1.229023 0.911234 0.798952 0.039 Uiso 1 1 calc R U . . .
C41 C 0.7663(3) 0.7921(2) 0.3908(2) 0.0392(9) Uani 1 1 d . . . . .
H41 H 0.736087 0.814616 0.347073 0.047 Uiso 1 1 calc R U . . .
C43 C 0.4206(3) 0.5489(2) 0.7099(2) 0.0406(9) Uani 1 1 d . . . . .
H43 H 0.397644 0.592986 0.683126 0.049 Uiso 1 1 calc R U . . .
C44 C 1.1232(3) 0.7314(2) 1.0424(2) 0.0424(9) Uani 1 1 d . . . . .
H44 H 1.146530 0.703587 1.085371 0.051 Uiso 1 1 calc R U . . .
C45 C 0.8248(3) 0.9324(2) 0.81308(19) 0.0290(7) Uani 1 1 d . . . . .
H45 H 0.826353 0.917625 0.760208 0.035 Uiso 1 1 calc R U . . .
C46 C 0.7027(3) 0.5709(2) 0.5705(2) 0.0352(8) Uani 1 1 d . . . . .
H46 H 0.690071 0.611865 0.535079 0.042 Uiso 1 1 calc R U . . .
C48 C 0.4584(3) 0.6816(3) 0.9818(2) 0.0455(9) Uani 1 1 d . . . . .
H48 H 0.392849 0.653954 1.001948 0.055 Uiso 1 1 calc R U . . .
C49 C 1.1637(3) 0.8225(2) 0.9370(2) 0.0321(7) Uani 1 1 d . . . . .
H49 H 1.215973 0.856517 0.907930 0.039 Uiso 1 1 calc R U . . .
C50 C 0.7518(3) 0.9786(2) 0.8358(2) 0.0348(8) Uani 1 1 d . . . . .
H50 H 0.703596 0.995205 0.798461 0.042 Uiso 1 1 calc R U . . .
C51 C 0.6496(3) 0.7619(2) 0.9233(2) 0.0325(7) Uani 1 1 d . . . . .
H51 H 0.715366 0.789726 0.903537 0.039 Uiso 1 1 calc R U . . .
C52 C 1.0140(3) 0.7224(2) 1.0223(2) 0.0401(9) Uani 1 1 d . . . . .
H52 H 0.962108 0.688461 1.051689 0.048 Uiso 1 1 calc R U . . .
C53 C 0.8926(3) 0.9300(2) 0.94497(19) 0.0285(7) Uani 1 1 d . . . . .
H53 H 0.940722 0.913898 0.982747 0.034 Uiso 1 1 calc R U . . .
C54 C 0.5477(3) 0.5029(2) 0.7979(2) 0.0362(8) Uani 1 1 d . . . . .
H54 H 0.612160 0.516005 0.831853 0.043 Uiso 1 1 calc R U . . .
C58 C 0.6200(3) 0.4999(2) 0.5818(2) 0.0430(9) Uani 1 1 d . . . . .
H58 H 0.550371 0.493707 0.555326 0.052 Uiso 1 1 calc R U . . .
C59 C 1.1576(4) 1.1210(2) 0.8250(2) 0.0449(10) Uani 1 1 d . . . . .
H59 H 1.138864 1.174698 0.830014 0.054 Uiso 1 1 calc R U . . .
C60 C 0.8710(3) 0.6992(2) 0.4452(2) 0.0321(7) Uani 1 1 d . . . . .
H60 H 0.911281 0.657142 0.438402 0.038 Uiso 1 1 calc R U . . .
C61 C 0.8188(3) 0.9758(2) 0.9670(2) 0.0347(8) Uani 1 1 d . . . . .
H61 H 0.816190 0.990313 1.019790 0.042 Uiso 1 1 calc R U . . .
C64 C 0.9797(3) 0.7626(2) 0.95958(19) 0.0317(7) Uani 1 1 d . . . . .
H64 H 0.904328 0.754800 0.945550 0.038 Uiso 1 1 calc R U . . .
C65 C 0.7370(4) 0.4484(2) 0.6707(2) 0.0430(9) Uani 1 1 d . . . . .
H65 H 0.749698 0.406053 0.704513 0.052 Uiso 1 1 calc R U . . .
C67 C 1.0534(3) 0.5714(2) 0.5860(2) 0.0354(8) Uani 1 1 d . . . . .
H67 H 1.006067 0.530047 0.612919 0.042 Uiso 1 1 calc R U . . .
C68 C 0.5194(3) 0.8217(2) 0.7502(3) 0.0426(9) Uani 1 1 d . . . . .
H68 H 0.523186 0.831404 0.804278 0.051 Uiso 1 1 calc R U . . .
C69 C 0.4858(3) 0.4193(2) 0.7878(2) 0.0444(9) Uani 1 1 d . . . . .
H69 H 0.508025 0.374902 0.814441 0.053 Uiso 1 1 calc R U . . .
C70 C 0.3592(3) 0.4644(3) 0.7008(3) 0.0529(11) Uani 1 1 d . . . . .
H70 H 0.294027 0.450931 0.667674 0.064 Uiso 1 1 calc R U . . .
C72 C 0.5379(3) 0.7343(3) 0.6393(2) 0.0446(9) Uani 1 1 d . . . . .
H72 H 0.555907 0.684914 0.617634 0.054 Uiso 1 1 calc R U . . .
C73 C 0.7496(3) 0.8189(2) 0.4637(2) 0.0389(8) Uani 1 1 d . . . . .
H73 H 0.707045 0.859451 0.470073 0.047 Uiso 1 1 calc R U . . .
C74 C 1.2876(3) 1.0407(3) 0.8012(2) 0.0413(9) Uani 1 1 d . . . . .
H74 H 1.359224 1.039154 0.791143 0.050 Uiso 1 1 calc R U . . .
C75 C 1.1913(3) 0.6898(3) 0.5053(2) 0.0447(9) Uani 1 1 d . . . . .
H75 H 1.238108 0.730118 0.477111 0.054 Uiso 1 1 calc R U . . .
C76 C 0.8269(3) 0.7324(2) 0.3818(2) 0.0378(8) Uani 1 1 d . . . . .
H76 H 0.838537 0.714004 0.331665 0.045 Uiso 1 1 calc R U . . .
C82 C 0.4890(4) 0.8802(3) 0.7019(3) 0.0599(12) Uani 1 1 d . . . . .
H82 H 0.473228 0.930719 0.723051 0.072 Uiso 1 1 calc R U . . .
C84 C 1.1494(3) 0.5554(3) 0.5647(2) 0.0454(9) Uani 1 1 d . . . . .
H84 H 1.167996 0.503405 0.577857 0.054 Uiso 1 1 calc R U . . .
C85 C 1.1981(3) 0.7809(2) 0.9999(2) 0.0403(9) Uani 1 1 d . . . . .
H85 H 1.273252 0.786963 1.013218 0.048 Uiso 1 1 calc R U . . .
C86 C 0.3917(3) 0.4004(3) 0.7390(3) 0.0496(10) Uani 1 1 d . . . . .
H86 H 0.349343 0.342835 0.731842 0.059 Uiso 1 1 calc R U . . .
C88 C 1.2178(3) 0.6137(3) 0.5249(2) 0.0482(10) Uani 1 1 d . . . . .
H88 H 1.283372 0.602071 0.510659 0.058 Uiso 1 1 calc R U . . .
C100 C 0.8041(3) 0.5821(2) 0.61097(18) 0.0271(7) Uani 1 1 d . . . . .
C101 C 1.1059(3) 0.9654(2) 0.82405(17) 0.0256(7) Uani 1 1 d . . . . .
C102 C 1.0264(3) 0.6478(2) 0.56802(18) 0.0284(7) Uani 1 1 d . . . . .
C104 C 0.5051(4) 0.7930(4) 0.5919(3) 0.0633(14) Uani 1 1 d . . . . .
H104 H 0.498839 0.782969 0.537718 0.076 Uiso 1 1 calc R U . . .
C116 C 0.4816(4) 0.8656(4) 0.6232(3) 0.0669(15) Uani 1 1 d . . . . .
H116 H 0.460176 0.905846 0.590538 0.080 Uiso 1 1 calc R U . . .
C130 C 0.8959(2) 0.90782(19) 0.86807(19) 0.0249(6) Uani 1 1 d . . . . .
C140 C 0.5720(3) 0.7005(2) 0.87782(19) 0.0272(7) Uani 1 1 d . . . . .
C160 C 1.0545(3) 0.81452(19) 0.91675(17) 0.0241(6) Uani 1 1 d . . . . .
C180 C 1.0966(3) 0.7064(2) 0.5269(2) 0.0346(8) Uani 1 1 d . . . . .
H180 H 1.078622 0.758654 0.513764 0.042 Uiso 1 1 calc R U . . .
C190 C 0.8567(3) 0.7273(2) 0.51940(18) 0.0266(7) Uani 1 1 d . . . . .
S1S S 0.61889(12) 0.18735(7) 0.77194(8) 0.0651(3) Uani 1 1 d . . . . .
Cl1S Cl 0.89256(14) 1.13128(9) 0.61663(10) 0.0878(4) Uani 1 1 d . . . . .
F1S F 0.4751(4) 0.2283(3) 0.6811(4) 0.166(3) Uani 1 1 d . . . . .
Cl2S Cl 0.69368(16) 1.03462(11) 0.53049(10) 0.0952(5) Uani 1 1 d . . . . .
F2S F 0.6079(4) 0.2141(3) 0.6275(2) 0.1200(15) Uani 1 1 d . . . . .
Cl3S Cl 0.45368(10) 0.93294(10) 0.93952(10) 0.0836(4) Uani 1 1 d . . . . .
F3S F 0.4947(4) 0.1032(2) 0.6560(2) 0.1212(16) 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 P1 2.3842(8) . ?
Ru1 P2 2.3827(8) . ?
Ru1 O1 2.249(2) . ?
Ru1 C1 2.069(3) . ?
Ru1 C4 2.134(3) . ?
Ru1 C7 2.145(3) . ?
Ru1 C10 2.079(3) . ?
P1 C100 1.841(3) . ?
P1 C102 1.834(3) . ?
P1 C190 1.838(3) . ?
P2 C101 1.851(3) . ?
P2 C130 1.832(3) . ?
P2 C160 1.837(3) . ?
P3 C2 1.789(3) . ?
P3 C32 1.801(3) . ?
P3 C33 1.794(3) . ?
P3 C140 1.797(3) . ?
O1 C11 1.285(4) . ?
O1S S1S 1.456(5) . ?
O2 C16 1.190(4) . ?
O2S S1S 1.344(5) . ?
O3 C16 1.332(4) . ?
O3 C17 1.454(5) . ?
O3S S1S 1.424(4) . ?
O4 C18 1.324(4) . ?
O4 C19 1.454(5) . ?
O4S H4SA 0.8500 . ?
O4S H4SB 0.8502 . ?
O5 C18 1.182(5) . ?
C1 H1 0.9500 . ?
C1 C2 1.367(4) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C1S Cl1S 1.787(7) . ?
C1S Cl2S 1.778(7) . ?
C2 C3 1.433(4) . ?
C2S S1S 1.728(7) . ?
C2S F1S 1.356(6) . ?
C2S F2S 1.311(7) . ?
C2S F3S 1.313(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.358(4) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C3S Cl3S 1.701(8) 2_677 ?
C3S Cl3S 1.880(8) . ?
C4 C5 1.428(4) . ?
C5 C6 1.348(4) . ?
C5 C13 1.503(4) . ?
C6 C7 1.421(4) . ?
C6 C15 1.504(4) . ?
C7 C8 1.386(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.398(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.366(5) . ?
C10 C11 1.387(5) . ?
C11 C12 1.494(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.558(4) . ?
C14 C15 1.567(4) . ?
C14 C16 1.530(5) . ?
C14 C18 1.529(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C23 H23 0.9500 . ?
C23 C48 1.377(6) . ?
C23 C140 1.392(5) . ?
C25 H25 0.9500 . ?
C25 C58 1.386(6) . ?
C25 C65 1.366(6) . ?
C27 H27 0.9500 . ?
C27 C28 1.375(6) . ?
C27 C48 1.375(6) . ?
C28 H28 0.9500 . ?
C28 C51 1.389(5) . ?
C29 H29 0.9500 . ?
C29 C65 1.388(5) . ?
C29 C100 1.394(5) . ?
C32 C43 1.387(5) . ?
C32 C54 1.396(5) . ?
C33 C68 1.393(5) . ?
C33 C72 1.396(5) . ?
C34 H34 0.9500 . ?
C34 C59 1.399(5) . ?
C34 C101 1.396(5) . ?
C36 H36 0.9500 . ?
C36 C50 1.375(5) . ?
C36 C61 1.378(5) . ?
C37 H37 0.9500 . ?
C37 C73 1.389(5) . ?
C37 C190 1.388(5) . ?
C38 H38 0.9500 . ?
C38 C59 1.372(6) . ?
C38 C74 1.381(6) . ?
C40 H40 0.9500 . ?
C40 C74 1.386(5) . ?
C40 C101 1.393(5) . ?
C41 H41 0.9500 . ?
C41 C73 1.381(6) . ?
C41 C76 1.378(6) . ?
C43 H43 0.9500 . ?
C43 C70 1.391(6) . ?
C44 H44 0.9500 . ?
C44 C52 1.382(6) . ?
C44 C85 1.375(6) . ?
C45 H45 0.9500 . ?
C45 C50 1.393(5) . ?
C45 C130 1.400(5) . ?
C46 H46 0.9500 . ?
C46 C58 1.388(5) . ?
C46 C100 1.393(5) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C49 C85 1.399(5) . ?
C49 C160 1.384(5) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C51 C140 1.392(5) . ?
C52 H52 0.9500 . ?
C52 C64 1.385(5) . ?
C53 H53 0.9500 . ?
C53 C61 1.394(5) . ?
C53 C130 1.386(5) . ?
C54 H54 0.9500 . ?
C54 C69 1.381(5) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C60 C76 1.384(5) . ?
C60 C190 1.399(5) . ?
C61 H61 0.9500 . ?
C64 H64 0.9500 . ?
C64 C160 1.395(5) . ?
C65 H65 0.9500 . ?
C67 H67 0.9500 . ?
C67 C84 1.386(5) . ?
C67 C102 1.389(5) . ?
C68 H68 0.9500 . ?
C68 C82 1.386(6) . ?
C69 H69 0.9500 . ?
C69 C86 1.381(6) . ?
C70 H70 0.9500 . ?
C70 C86 1.370(6) . ?
C72 H72 0.9500 . ?
C72 C104 1.391(6) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
C75 H75 0.9500 . ?
C75 C88 1.388(6) . ?
C75 C180 1.377(5) . ?
C76 H76 0.9500 . ?
C82 H82 0.9500 . ?
C82 C116 1.380(8) . ?
C84 H84 0.9500 . ?
C84 C88 1.370(6) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C88 H88 0.9500 . ?
C102 C180 1.397(5) . ?
C104 H104 0.9500 . ?
C104 C116 1.375(8) . ?
C116 H116 0.9500 . ?
C180 H180 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
P2 Ru1 P1 178.84(3) . . ?
O1 Ru1 P1 93.80(6) . . ?
O1 Ru1 P2 86.17(6) . . ?
C1 Ru1 P1 87.64(8) . . ?
C1 Ru1 P2 93.51(8) . . ?
C1 Ru1 O1 81.89(10) . . ?
C1 Ru1 C4 73.41(12) . . ?
C1 Ru1 C7 147.83(12) . . ?
C1 Ru1 C10 141.60(12) . . ?
C4 Ru1 P1 93.06(8) . . ?
C4 Ru1 P2 87.46(8) . . ?
C4 Ru1 O1 154.04(10) . . ?
C4 Ru1 C7 74.91(11) . . ?
C7 Ru1 P1 88.57(8) . . ?
C7 Ru1 P2 90.56(8) . . ?
C7 Ru1 O1 130.24(10) . . ?
C10 Ru1 P1 86.93(9) . . ?
C10 Ru1 P2 92.05(9) . . ?
C10 Ru1 O1 60.61(10) . . ?
C10 Ru1 C4 144.84(12) . . ?
C10 Ru1 C7 69.94(12) . . ?
C100 P1 Ru1 114.78(10) . . ?
C102 P1 Ru1 114.06(11) . . ?
C102 P1 C100 106.73(15) . . ?
C102 P1 C190 101.82(15) . . ?
C190 P1 Ru1 116.30(10) . . ?
C190 P1 C100 101.56(15) . . ?
C101 P2 Ru1 115.56(10) . . ?
C130 P2 Ru1 116.08(10) . . ?
C130 P2 C101 98.92(14) . . ?
C130 P2 C160 103.55(15) . . ?
C160 P2 Ru1 115.33(10) . . ?
C160 P2 C101 105.37(14) . . ?
C2 P3 C32 114.50(14) . . ?
C2 P3 C33 107.84(15) . . ?
C2 P3 C140 110.77(15) . . ?
C33 P3 C32 109.75(16) . . ?
C33 P3 C140 109.24(15) . . ?
C140 P3 C32 104.65(16) . . ?
C11 O1 Ru1 92.36(18) . . ?
C16 O3 C17 116.5(3) . . ?
C18 O4 C19 116.0(3) . . ?
H4SA O4S H4SB 104.5 . . ?
Ru1 C1 H1 119.5 . . ?
C2 C1 Ru1 121.0(2) . . ?
C2 C1 H1 119.5 . . ?
H1SA C1S H1SB 108.3 . . ?
Cl1S C1S H1SA 109.8 . . ?
Cl1S C1S H1SB 109.8 . . ?
Cl2S C1S H1SA 109.8 . . ?
Cl2S C1S H1SB 109.8 . . ?
Cl2S C1S Cl1S 109.4(3) . . ?
C1 C2 P3 122.1(2) . . ?
C1 C2 C3 113.3(3) . . ?
C3 C2 P3 124.6(2) . . ?
F1S C2S S1S 111.0(5) . . ?
F2S C2S S1S 115.2(4) . . ?
F2S C2S F1S 100.9(5) . . ?
F2S C2S F3S 107.1(5) . . ?
F3S C2S S1S 116.3(4) . . ?
F3S C2S F1S 104.9(5) . . ?
C2 C3 H3 123.3 . . ?
C4 C3 C2 113.4(3) . . ?
C4 C3 H3 123.3 . . ?
H3SA C3S H3SB 108.2 . . ?
Cl3S C3S H3SA 109.8 2_677 . ?
Cl3S C3S H3SA 109.8 . . ?
Cl3S C3S H3SB 109.8 2_677 . ?
Cl3S C3S H3SB 109.8 . . ?
Cl3S C3S Cl3S 109.6(4) 2_677 . ?
C3 C4 Ru1 118.9(2) . . ?
C3 C4 C5 124.2(3) . . ?
C5 C4 Ru1 116.8(2) . . ?
C4 C5 C13 131.8(3) . . ?
C6 C5 C4 115.5(3) . . ?
C6 C5 C13 112.6(3) . . ?
C5 C6 C7 116.7(3) . . ?
C5 C6 C15 112.1(3) . . ?
C7 C6 C15 131.2(3) . . ?
C6 C7 Ru1 116.0(2) . . ?
C8 C7 Ru1 120.9(2) . . ?
C8 C7 C6 123.0(3) . . ?
C7 C8 H8 123.6 . . ?
C7 C8 C9 112.8(3) . . ?
C9 C8 H8 123.6 . . ?
C8 C9 H9 124.6 . . ?
C10 C9 C8 110.9(3) . . ?
C10 C9 H9 124.6 . . ?
C9 C10 Ru1 125.4(2) . . ?
C9 C10 C11 137.3(3) . . ?
C11 C10 Ru1 96.9(2) . . ?
O1 C11 C10 110.0(3) . . ?
O1 C11 C12 121.4(3) . . ?
C10 C11 C12 128.5(3) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C5 C13 H13A 111.4 . . ?
C5 C13 H13B 111.4 . . ?
C5 C13 C14 101.9(2) . . ?
H13A C13 H13B 109.3 . . ?
C14 C13 H13A 111.4 . . ?
C14 C13 H13B 111.4 . . ?
C13 C14 C15 105.8(2) . . ?
C16 C14 C13 110.3(3) . . ?
C16 C14 C15 110.0(3) . . ?
C18 C14 C13 112.5(3) . . ?
C18 C14 C15 108.3(3) . . ?
C18 C14 C16 109.7(3) . . ?
C6 C15 C14 101.9(2) . . ?
C6 C15 H15A 111.4 . . ?
C6 C15 H15B 111.4 . . ?
C14 C15 H15A 111.4 . . ?
C14 C15 H15B 111.4 . . ?
H15A C15 H15B 109.2 . . ?
O2 C16 O3 123.5(3) . . ?
O2 C16 C14 126.0(3) . . ?
O3 C16 C14 110.5(3) . . ?
O3 C17 H17A 109.5 . . ?
O3 C17 H17B 109.5 . . ?
O3 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O4 C18 C14 110.9(3) . . ?
O5 C18 O4 124.2(3) . . ?
O5 C18 C14 124.9(3) . . ?
O4 C19 H19A 109.5 . . ?
O4 C19 H19B 109.5 . . ?
O4 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C48 C23 H23 119.9 . . ?
C48 C23 C140 120.1(4) . . ?
C140 C23 H23 119.9 . . ?
C58 C25 H25 120.5 . . ?
C65 C25 H25 120.5 . . ?
C65 C25 C58 119.0(3) . . ?
C28 C27 H27 120.1 . . ?
C48 C27 H27 120.1 . . ?
C48 C27 C28 119.8(4) . . ?
C27 C28 H28 119.7 . . ?
C27 C28 C51 120.6(4) . . ?
C51 C28 H28 119.7 . . ?
C65 C29 H29 119.6 . . ?
C65 C29 C100 120.8(4) . . ?
C100 C29 H29 119.6 . . ?
C43 C32 P3 122.6(3) . . ?
C43 C32 C54 119.7(3) . . ?
C54 C32 P3 117.4(3) . . ?
C68 C33 P3 120.2(3) . . ?
C68 C33 C72 119.9(3) . . ?
C72 C33 P3 119.7(3) . . ?
C59 C34 H34 119.9 . . ?
C101 C34 H34 119.9 . . ?
C101 C34 C59 120.1(4) . . ?
C50 C36 H36 119.8 . . ?
C50 C36 C61 120.4(3) . . ?
C61 C36 H36 119.8 . . ?
C73 C37 H37 119.7 . . ?
C190 C37 H37 119.7 . . ?
C190 C37 C73 120.5(3) . . ?
C59 C38 H38 120.1 . . ?
C59 C38 C74 119.8(3) . . ?
C74 C38 H38 120.1 . . ?
C74 C40 H40 119.5 . . ?
C74 C40 C101 120.9(3) . . ?
C101 C40 H40 119.5 . . ?
C73 C41 H41 120.1 . . ?
C76 C41 H41 120.1 . . ?
C76 C41 C73 119.7(3) . . ?
C32 C43 H43 120.4 . . ?
C32 C43 C70 119.2(4) . . ?
C70 C43 H43 120.4 . . ?
C52 C44 H44 120.2 . . ?
C85 C44 H44 120.2 . . ?
C85 C44 C52 119.6(3) . . ?
C50 C45 H45 120.0 . . ?
C50 C45 C130 120.0(3) . . ?
C130 C45 H45 120.0 . . ?
C58 C46 H46 120.0 . . ?
C58 C46 C100 120.0(4) . . ?
C100 C46 H46 120.0 . . ?
C23 C48 H48 119.7 . . ?
C27 C48 C23 120.5(4) . . ?
C27 C48 H48 119.7 . . ?
C85 C49 H49 119.6 . . ?
C160 C49 H49 119.6 . . ?
C160 C49 C85 120.7(3) . . ?
C36 C50 C45 120.0(3) . . ?
C36 C50 H50 120.0 . . ?
C45 C50 H50 120.0 . . ?
C28 C51 H51 120.3 . . ?
C28 C51 C140 119.5(3) . . ?
C140 C51 H51 120.3 . . ?
C44 C52 H52 119.8 . . ?
C44 C52 C64 120.4(4) . . ?
C64 C52 H52 119.8 . . ?
C61 C53 H53 119.9 . . ?
C130 C53 H53 119.9 . . ?
C130 C53 C61 120.2(3) . . ?
C32 C54 H54 120.0 . . ?
C69 C54 C32 120.1(3) . . ?
C69 C54 H54 120.0 . . ?
C25 C58 C46 121.1(4) . . ?
C25 C58 H58 119.5 . . ?
C46 C58 H58 119.5 . . ?
C34 C59 H59 119.7 . . ?
C38 C59 C34 120.5(4) . . ?
C38 C59 H59 119.7 . . ?
C76 C60 H60 119.8 . . ?
C76 C60 C190 120.4(3) . . ?
C190 C60 H60 119.8 . . ?
C36 C61 C53 120.1(3) . . ?
C36 C61 H61 119.9 . . ?
C53 C61 H61 119.9 . . ?
C52 C64 H64 119.6 . . ?
C52 C64 C160 120.7(3) . . ?
C160 C64 H64 119.6 . . ?
C25 C65 C29 120.8(4) . . ?
C25 C65 H65 119.6 . . ?
C29 C65 H65 119.6 . . ?
C84 C67 H67 120.0 . . ?
C84 C67 C102 120.0(4) . . ?
C102 C67 H67 120.0 . . ?
C33 C68 H68 120.2 . . ?
C82 C68 C33 119.6(4) . . ?
C82 C68 H68 120.2 . . ?
C54 C69 H69 120.0 . . ?
C86 C69 C54 120.0(4) . . ?
C86 C69 H69 120.0 . . ?
C43 C70 H70 119.6 . . ?
C86 C70 C43 120.8(4) . . ?
C86 C70 H70 119.6 . . ?
C33 C72 H72 120.2 . . ?
C104 C72 C33 119.5(4) . . ?
C104 C72 H72 120.2 . . ?
C37 C73 H73 119.9 . . ?
C41 C73 C37 120.3(3) . . ?
C41 C73 H73 119.9 . . ?
C38 C74 C40 120.3(4) . . ?
C38 C74 H74 119.9 . . ?
C40 C74 H74 119.9 . . ?
C88 C75 H75 120.3 . . ?
C180 C75 H75 120.3 . . ?
C180 C75 C88 119.4(4) . . ?
C41 C76 C60 120.5(3) . . ?
C41 C76 H76 119.8 . . ?
C60 C76 H76 119.8 . . ?
C68 C82 H82 119.8 . . ?
C116 C82 C68 120.4(5) . . ?
C116 C82 H82 119.8 . . ?
C67 C84 H84 119.6 . . ?
C88 C84 C67 120.7(4) . . ?
C88 C84 H84 119.6 . . ?
C44 C85 C49 120.2(4) . . ?
C44 C85 H85 119.9 . . ?
C49 C85 H85 119.9 . . ?
C69 C86 H86 119.9 . . ?
C70 C86 C69 120.1(4) . . ?
C70 C86 H86 119.9 . . ?
C75 C88 H88 120.0 . . ?
C84 C88 C75 120.1(4) . . ?
C84 C88 H88 120.0 . . ?
C29 C100 P1 120.7(3) . . ?
C46 C100 P1 120.7(3) . . ?
C46 C100 C29 118.3(3) . . ?
C34 C101 P2 121.0(3) . . ?
C40 C101 P2 120.6(3) . . ?
C40 C101 C34 118.4(3) . . ?
C67 C102 P1 123.2(3) . . ?
C67 C102 C180 118.6(3) . . ?
C180 C102 P1 117.9(3) . . ?
C72 C104 H104 119.9 . . ?
C116 C104 C72 120.2(5) . . ?
C116 C104 H104 119.9 . . ?
C82 C116 H116 119.8 . . ?
C104 C116 C82 120.3(4) . . ?
C104 C116 H116 119.8 . . ?
C45 C130 P2 117.0(2) . . ?
C53 C130 P2 123.0(2) . . ?
C53 C130 C45 119.2(3) . . ?
C23 C140 P3 120.8(3) . . ?
C51 C140 P3 119.7(3) . . ?
C51 C140 C23 119.4(3) . . ?
C49 C160 P2 123.0(3) . . ?
C49 C160 C64 118.3(3) . . ?
C64 C160 P2 118.6(2) . . ?
C75 C180 C102 121.1(3) . . ?
C75 C180 H180 119.4 . . ?
C102 C180 H180 119.4 . . ?
C37 C190 P1 120.4(3) . . ?
C37 C190 C60 118.6(3) . . ?
C60 C190 P1 120.9(3) . . ?
O1S S1S C2S 103.1(3) . . ?
O2S S1S O1S 114.7(5) . . ?
O2S S1S O3S 119.0(4) . . ?
O2S S1S C2S 106.6(3) . . ?
O3S S1S O1S 105.9(3) . . ?
O3S S1S C2S 106.0(3) . . ?
C3S Cl3S C3S 70.4(4) 2_677 . ?

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 P1 C100 C29 -62.9(3) . . . . ?
Ru1 P1 C100 C46 111.4(3) . . . . ?
Ru1 P1 C102 C67 94.0(3) . . . . ?
Ru1 P1 C102 C180 -79.4(3) . . . . ?
Ru1 P1 C190 C37 -32.1(3) . . . . ?
Ru1 P1 C190 C60 152.2(2) . . . . ?
Ru1 P2 C101 C34 115.5(3) . . . . ?
Ru1 P2 C101 C40 -63.0(3) . . . . ?
Ru1 P2 C130 C45 -38.4(3) . . . . ?
Ru1 P2 C130 C53 151.9(2) . . . . ?
Ru1 P2 C160 C49 94.8(3) . . . . ?
Ru1 P2 C160 C64 -81.2(3) . . . . ?
Ru1 O1 C11 C10 3.0(3) . . . . ?
Ru1 O1 C11 C12 -172.7(3) . . . . ?
Ru1 C1 C2 P3 178.58(15) . . . . ?
Ru1 C1 C2 C3 0.2(4) . . . . ?
Ru1 C4 C5 C6 -2.8(4) . . . . ?
Ru1 C4 C5 C13 179.5(3) . . . . ?
Ru1 C7 C8 C9 1.5(4) . . . . ?
Ru1 C10 C11 O1 -3.2(3) . . . . ?
Ru1 C10 C11 C12 172.1(3) . . . . ?
P1 C102 C180 C75 172.9(3) . . . . ?
P3 C2 C3 C4 -179.6(2) . . . . ?
P3 C32 C43 C70 -174.6(3) . . . . ?
P3 C32 C54 C69 175.2(3) . . . . ?
P3 C33 C68 C82 174.8(3) . . . . ?
P3 C33 C72 C104 -176.1(3) . . . . ?
C1 C2 C3 C4 -1.3(4) . . . . ?
C2 P3 C32 C43 -131.0(3) . . . . ?
C2 P3 C32 C54 55.0(3) . . . . ?
C2 P3 C33 C68 -106.1(3) . . . . ?
C2 P3 C33 C72 69.1(3) . . . . ?
C2 P3 C140 C23 -151.7(3) . . . . ?
C2 P3 C140 C51 30.4(3) . . . . ?
C2 C3 C4 Ru1 1.9(4) . . . . ?
C2 C3 C4 C5 -174.5(3) . . . . ?
C3 C4 C5 C6 173.6(3) . . . . ?
C3 C4 C5 C13 -4.1(5) . . . . ?
C4 C5 C6 C7 3.6(4) . . . . ?
C4 C5 C6 C15 -177.6(3) . . . . ?
C4 C5 C13 C14 162.9(3) . . . . ?
C5 C6 C7 Ru1 -2.8(4) . . . . ?
C5 C6 C7 C8 179.2(3) . . . . ?
C5 C6 C15 C14 13.9(4) . . . . ?
C5 C13 C14 C15 22.6(3) . . . . ?
C5 C13 C14 C16 -96.4(3) . . . . ?
C5 C13 C14 C18 140.7(3) . . . . ?
C6 C5 C13 C14 -15.0(4) . . . . ?
C6 C7 C8 C9 179.4(3) . . . . ?
C7 C6 C15 C14 -167.4(3) . . . . ?
C7 C8 C9 C10 0.3(4) . . . . ?
C8 C9 C10 Ru1 -2.1(4) . . . . ?
C8 C9 C10 C11 169.8(4) . . . . ?
C9 C10 C11 O1 -176.6(4) . . . . ?
C9 C10 C11 C12 -1.3(7) . . . . ?
C13 C5 C6 C7 -178.2(3) . . . . ?
C13 C5 C6 C15 0.6(4) . . . . ?
C13 C14 C15 C6 -22.3(3) . . . . ?
C13 C14 C16 O2 122.1(4) . . . . ?
C13 C14 C16 O3 -57.0(3) . . . . ?
C13 C14 C18 O4 161.2(3) . . . . ?
C13 C14 C18 O5 -19.9(5) . . . . ?
C15 C6 C7 Ru1 178.6(3) . . . . ?
C15 C6 C7 C8 0.7(5) . . . . ?
C15 C14 C16 O2 5.8(5) . . . . ?
C15 C14 C16 O3 -173.4(3) . . . . ?
C15 C14 C18 O4 -82.2(4) . . . . ?
C15 C14 C18 O5 96.7(4) . . . . ?
C16 C14 C15 C6 96.8(3) . . . . ?
C16 C14 C18 O4 38.0(4) . . . . ?
C16 C14 C18 O5 -143.1(4) . . . . ?
C17 O3 C16 O2 0.2(5) . . . . ?
C17 O3 C16 C14 179.4(3) . . . . ?
C18 C14 C15 C6 -143.2(3) . . . . ?
C18 C14 C16 O2 -113.3(4) . . . . ?
C18 C14 C16 O3 67.5(3) . . . . ?
C19 O4 C18 O5 -3.0(6) . . . . ?
C19 O4 C18 C14 175.9(4) . . . . ?
C27 C28 C51 C140 -0.6(6) . . . . ?
C28 C27 C48 C23 -0.7(6) . . . . ?
C28 C51 C140 P3 177.9(3) . . . . ?
C28 C51 C140 C23 -0.1(5) . . . . ?
C32 P3 C2 C1 127.5(3) . . . . ?
C32 P3 C2 C3 -54.3(3) . . . . ?
C32 P3 C33 C68 128.6(3) . . . . ?
C32 P3 C33 C72 -56.3(3) . . . . ?
C32 P3 C140 C23 -27.8(3) . . . . ?
C32 P3 C140 C51 154.3(3) . . . . ?
C32 C43 C70 C86 -0.1(7) . . . . ?
C32 C54 C69 C86 -0.5(6) . . . . ?
C33 P3 C2 C1 5.1(3) . . . . ?
C33 P3 C2 C3 -176.8(3) . . . . ?
C33 P3 C32 C43 -9.6(4) . . . . ?
C33 P3 C32 C54 176.4(3) . . . . ?
C33 P3 C140 C23 89.7(3) . . . . ?
C33 P3 C140 C51 -88.3(3) . . . . ?
C33 C68 C82 C116 1.1(7) . . . . ?
C33 C72 C104 C116 1.6(6) . . . . ?
C43 C32 C54 C69 1.0(5) . . . . ?
C43 C70 C86 C69 0.6(7) . . . . ?
C44 C52 C64 C160 -1.6(6) . . . . ?
C48 C23 C140 P3 -177.6(3) . . . . ?
C48 C23 C140 C51 0.4(5) . . . . ?
C48 C27 C28 C51 1.0(6) . . . . ?
C50 C36 C61 C53 0.7(5) . . . . ?
C50 C45 C130 P2 -170.1(3) . . . . ?
C50 C45 C130 C53 0.0(5) . . . . ?
C52 C44 C85 C49 0.5(6) . . . . ?
C52 C64 C160 P2 178.3(3) . . . . ?
C52 C64 C160 C49 2.1(5) . . . . ?
C54 C32 C43 C70 -0.7(6) . . . . ?
C54 C69 C86 C70 -0.3(7) . . . . ?
C58 C25 C65 C29 0.3(6) . . . . ?
C58 C46 C100 P1 -173.9(3) . . . . ?
C58 C46 C100 C29 0.6(5) . . . . ?
C59 C34 C101 P2 -179.1(3) . . . . ?
C59 C34 C101 C40 -0.6(5) . . . . ?
C59 C38 C74 C40 0.2(6) . . . . ?
C61 C36 C50 C45 -0.4(5) . . . . ?
C61 C53 C130 P2 169.8(3) . . . . ?
C61 C53 C130 C45 0.4(5) . . . . ?
C65 C25 C58 C46 1.7(6) . . . . ?
C65 C29 C100 P1 175.8(3) . . . . ?
C65 C29 C100 C46 1.4(5) . . . . ?
C67 C84 C88 C75 -0.1(6) . . . . ?
C67 C102 C180 C75 -0.7(5) . . . . ?
C68 C33 C72 C104 -1.0(6) . . . . ?
C68 C82 C116 C104 -0.5(7) . . . . ?
C72 C33 C68 C82 -0.4(6) . . . . ?
C72 C104 C116 C82 -0.9(7) . . . . ?
C73 C37 C190 P1 -177.0(3) . . . . ?
C73 C37 C190 C60 -1.2(5) . . . . ?
C73 C41 C76 C60 0.1(5) . . . . ?
C74 C38 C59 C34 1.4(6) . . . . ?
C74 C40 C101 P2 -179.3(3) . . . . ?
C74 C40 C101 C34 2.2(5) . . . . ?
C76 C41 C73 C37 0.8(6) . . . . ?
C76 C60 C190 P1 177.8(3) . . . . ?
C76 C60 C190 C37 2.1(5) . . . . ?
C84 C67 C102 P1 -171.9(3) . . . . ?
C84 C67 C102 C180 1.4(5) . . . . ?
C85 C44 C52 C64 0.2(6) . . . . ?
C85 C49 C160 P2 -177.3(3) . . . . ?
C85 C49 C160 C64 -1.3(5) . . . . ?
C88 C75 C180 C102 -0.3(6) . . . . ?
C100 P1 C102 C67 -33.9(3) . . . . ?
C100 P1 C102 C180 152.8(3) . . . . ?
C100 P1 C190 C37 93.2(3) . . . . ?
C100 P1 C190 C60 -82.5(3) . . . . ?
C100 C29 C65 C25 -1.9(5) . . . . ?
C100 C46 C58 C25 -2.1(6) . . . . ?
C101 P2 C130 C45 85.8(3) . . . . ?
C101 P2 C130 C53 -83.8(3) . . . . ?
C101 P2 C160 C49 -33.9(3) . . . . ?
C101 P2 C160 C64 150.1(3) . . . . ?
C101 C34 C59 C38 -1.2(6) . . . . ?
C101 C40 C74 C38 -2.1(5) . . . . ?
C102 P1 C100 C29 64.5(3) . . . . ?
C102 P1 C100 C46 -121.2(3) . . . . ?
C102 P1 C190 C37 -156.8(3) . . . . ?
C102 P1 C190 C60 27.6(3) . . . . ?
C102 C67 C84 C88 -1.0(6) . . . . ?
C130 P2 C101 C34 -9.2(3) . . . . ?
C130 P2 C101 C40 172.4(3) . . . . ?
C130 P2 C160 C49 -137.2(3) . . . . ?
C130 P2 C160 C64 46.8(3) . . . . ?
C130 C45 C50 C36 0.1(5) . . . . ?
C130 C53 C61 C36 -0.7(5) . . . . ?
C140 P3 C2 C1 -114.4(3) . . . . ?
C140 P3 C2 C3 63.7(3) . . . . ?
C140 P3 C32 C43 107.5(3) . . . . ?
C140 P3 C32 C54 -66.5(3) . . . . ?
C140 P3 C33 C68 14.4(3) . . . . ?
C140 P3 C33 C72 -170.5(3) . . . . ?
C140 C23 C48 C27 0.0(6) . . . . ?
C160 P2 C101 C34 -116.0(3) . . . . ?
C160 P2 C101 C40 65.6(3) . . . . ?
C160 P2 C130 C45 -165.9(2) . . . . ?
C160 P2 C130 C53 24.5(3) . . . . ?
C160 C49 C85 C44 0.1(6) . . . . ?
C180 C75 C88 C84 0.7(6) . . . . ?
C190 P1 C100 C29 170.7(3) . . . . ?
C190 P1 C100 C46 -15.0(3) . . . . ?
C190 P1 C102 C67 -139.9(3) . . . . ?
C190 P1 C102 C180 46.7(3) . . . . ?
C190 C37 C73 C41 -0.2(5) . . . . ?
C190 C60 C76 C41 -1.5(5) . . . . ?
F1S C2S S1S O1S -172.0(5) . . . . ?
F1S C2S S1S O2S 66.8(6) . . . . ?
F1S C2S S1S O3S -60.9(5) . . . . ?
F2S C2S S1S O1S -58.2(5) . . . . ?
F2S C2S S1S O2S -179.4(6) . . . . ?
F2S C2S S1S O3S 52.9(5) . . . . ?
Cl3S C3S Cl3S C3S 0.000(1) 2_677 . . 2_677 ?
F3S C2S S1S O1S 68.2(5) . . . . ?
F3S C2S S1S O2S -52.9(6) . . . . ?
F3S C2S S1S O3S 179.4(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
