Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2002

data_global
_publ_contact_author_email       PUDD@UWO.CA
_publ_contact_author_name        'Dr Richard Puddephatt'
_journal_name_full               'J.Chem.Soc.,Dalton Trans.'
_journal_coden_Cambridge         0186
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
loop_
_publ_author_name
Y.Gao
M.C.Jennings
R.J.Puddephat

data_complex9
_database_code_CSD               195497

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58.50 H49 Cl3 F3 O7 P4 Ru2 S'
_chemical_formula_weight         1385.41

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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.2830(8)
_cell_length_b                   15.3642(14)
_cell_length_c                   18.1169(16)
_cell_angle_alpha                87.153(3)
_cell_angle_beta                 75.089(4)
_cell_angle_gamma                73.662(4)
_cell_volume                     2911.5(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       'diamond plate'
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1396
_exptl_absorpt_coefficient_mu    0.864
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.8462
_exptl_absorpt_correction_T_max  0.9581
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'phi/omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13897
_diffrn_reflns_av_R_equivalents  0.041
_diffrn_reflns_av_sigmaI/netI    0.0799
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.05
_diffrn_reflns_theta_max         28.32
_reflns_number_total             11530
_reflns_number_gt                7996
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Nonius COLLECT'
_computing_cell_refinement       'Nonius DENZO'
_computing_data_reduction        'Nonius DENZO'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
goodness of fit S are based on F^2^, conventional R-factors R are based 
on F, with F set to zero for negative F^2^. The threshold expression of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
not relevant to the choice of reflections for refinement.  R-factors based 
on F^2^ are statistically about twice as large as those based on F, and R- 
factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0864P)^2^+7.3122P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11530
_refine_ls_number_parameters     616
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1000
_refine_ls_R_factor_gt           0.0659
_refine_ls_wR_factor_ref         0.1855
_refine_ls_wR_factor_gt          0.1691
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.803
_refine_ls_shift/su_mean         0.025

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.22884(5) -0.10196(3) 0.20767(3) 0.03424(15) Uani 1 1 d . . .
Ru2 Ru 0.01449(4) -0.15013(3) 0.30726(3) 0.03330(15) Uani 1 1 d . . .
P1 P 0.34848(15) -0.25543(11) 0.19518(9) 0.0351(4) Uani 1 1 d . . .
P2 P 0.14803(15) -0.29394(11) 0.32891(8) 0.0353(4) Uani 1 1 d . . .
P3 P 0.11228(16) 0.05295(11) 0.22092(9) 0.0371(4) Uani 1 1 d . . .
P4 P -0.12917(15) -0.00696(10) 0.30039(8) 0.0339(4) Uani 1 1 d . . .
C10 C 0.3321(7) -0.0846(5) 0.2719(4) 0.0496(18) Uani 1 1 d . . .
O10 O 0.3969(5) -0.0789(4) 0.3098(3) 0.0703(16) Uani 1 1 d . . .
C11 C 0.3411(6) -0.0772(4) 0.1181(3) 0.0382(14) Uani 1 1 d . . .
O11 O 0.4113(4) -0.0629(4) 0.0641(3) 0.0542(12) Uani 1 1 d . . .
C20 C 0.0618(7) -0.0986(5) 0.3841(4) 0.0503(17) Uani 1 1 d . . .
O20 O 0.0855(5) -0.0671(4) 0.4327(3) 0.0702(16) Uani 1 1 d . . .
C21 C -0.1268(6) -0.1924(4) 0.3592(3) 0.0428(16) Uani 1 1 d . . .
O21 O -0.2116(5) -0.2174(3) 0.3915(3) 0.0577(13) Uani 1 1 d . . .
C1 C 0.3183(6) -0.3097(4) 0.2867(3) 0.0383(14) Uani 1 1 d . . .
H1A H 0.3543 -0.2842 0.3222 0.046 Uiso 1 1 calc R . .
H1B H 0.3622 -0.3754 0.2798 0.046 Uiso 1 1 calc R . .
C2 C -0.0458(6) 0.0811(4) 0.2892(3) 0.0377(14) Uani 1 1 d . . .
H2A H -0.0356 0.0945 0.3398 0.045 Uiso 1 1 calc R . .
H2B H -0.1001 0.1372 0.2726 0.045 Uiso 1 1 calc R . .
C3 C 0.0748(6) -0.1243(4) 0.1790(3) 0.0429(16) Uani 1 1 d . . .
H3A H 0.0178 -0.0697 0.1610 0.051 Uiso 1 1 calc R . .
C4 C 0.0326(6) -0.1999(4) 0.1867(3) 0.0407(15) Uani 1 1 d . . .
H4A H 0.0980 -0.2579 0.1690 0.049 Uiso 1 1 calc R . .
H4B H -0.0484 -0.1941 0.1727 0.049 Uiso 1 1 calc R . .
C1A C 0.5222(3) -0.2736(3) 0.1720(2) 0.0412(15) Uani 1 1 d G . .
C1B C 0.5908(4) -0.2786(4) 0.0960(2) 0.065(2) Uani 1 1 d G . .
H1BA H 0.5479 -0.2727 0.0565 0.078 Uiso 1 1 calc R . .
C1C C 0.7223(4) -0.2923(4) 0.0777(2) 0.081(3) Uani 1 1 d G . .
H1CA H 0.7692 -0.2957 0.0258 0.097 Uiso 1 1 calc R . .
C1D C 0.7851(3) -0.3010(4) 0.1356(3) 0.065(2) Uani 1 1 d G . .
H1DA H 0.8749 -0.3103 0.1231 0.078 Uiso 1 1 calc R . .
C1E C 0.7165(4) -0.2960(3) 0.2116(3) 0.0551(19) Uani 1 1 d G . .
H1EA H 0.7594 -0.3019 0.2511 0.066 Uiso 1 1 calc R . .
C1F C 0.5850(4) -0.2823(3) 0.2299(2) 0.0470(16) Uani 1 1 d G . .
H1FA H 0.5381 -0.2789 0.2818 0.056 Uiso 1 1 calc R . .
C1G C 0.3351(4) -0.3284(3) 0.12280(19) 0.0376(14) Uani 1 1 d G . .
C1H C 0.3573(4) -0.4215(3) 0.1318(2) 0.0514(17) Uani 1 1 d G . .
H1HA H 0.3739 -0.4480 0.1779 0.062 Uiso 1 1 calc R . .
C1I C 0.3552(5) -0.4759(2) 0.0733(3) 0.068(2) Uani 1 1 d G . .
H1IA H 0.3704 -0.5395 0.0795 0.082 Uiso 1 1 calc R . .
C1J C 0.3310(5) -0.4372(3) 0.0058(2) 0.065(2) Uani 1 1 d G . .
H1JA H 0.3296 -0.4743 -0.0341 0.079 Uiso 1 1 calc R . .
C1K C 0.3088(4) -0.3440(3) -0.00316(19) 0.0574(19) Uani 1 1 d G . .
H1KA H 0.2922 -0.3176 -0.0493 0.069 Uiso 1 1 calc R . .
C1L C 0.3108(4) -0.2897(2) 0.0553(2) 0.0439(15) Uani 1 1 d G . .
H1LA H 0.2957 -0.2260 0.0492 0.053 Uiso 1 1 calc R . .
C2A C 0.1210(4) -0.3982(2) 0.3007(2) 0.0373(14) Uani 1 1 d G . .
C2B C 0.0183(4) -0.3957(2) 0.2709(3) 0.0443(16) Uani 1 1 d G . .
H2BA H -0.0407 -0.3393 0.2659 0.053 Uiso 1 1 calc R . .
C2C C 0.0019(4) -0.4759(3) 0.2485(3) 0.060(2) Uani 1 1 d G . .
H2CA H -0.0683 -0.4742 0.2281 0.072 Uiso 1 1 calc R . .
C2D C 0.0883(5) -0.5585(2) 0.2559(3) 0.070(2) Uani 1 1 d G . .
H2DA H 0.0771 -0.6133 0.2406 0.083 Uiso 1 1 calc R . .
C2E C 0.1910(5) -0.5609(2) 0.2857(3) 0.064(2) Uani 1 1 d G . .
H2EA H 0.2500 -0.6174 0.2908 0.077 Uiso 1 1 calc R . .
C2F C 0.2073(4) -0.4808(3) 0.3081(3) 0.0499(17) Uani 1 1 d G . .
H2FA H 0.2775 -0.4824 0.3285 0.060 Uiso 1 1 calc R . .
C2G C 0.1398(4) -0.3118(3) 0.43114(16) 0.0418(15) Uani 1 1 d G . .
C2H C 0.0568(4) -0.3591(3) 0.4724(2) 0.0558(19) Uani 1 1 d G . .
H2HA H 0.0089 -0.3838 0.4472 0.067 Uiso 1 1 calc R . .
C2I C 0.0438(5) -0.3702(4) 0.5504(2) 0.066(2) Uani 1 1 d G . .
H2IA H -0.0129 -0.4025 0.5786 0.080 Uiso 1 1 calc R . .
C2J C 0.1138(5) -0.3340(4) 0.58718(17) 0.071(2) Uani 1 1 d G . .
H2JA H 0.1049 -0.3416 0.6405 0.085 Uiso 1 1 calc R . .
C2K C 0.1968(5) -0.2868(4) 0.5459(2) 0.062(2) Uani 1 1 d G . .
H2KA H 0.2447 -0.2620 0.5711 0.074 Uiso 1 1 calc R . .
C2L C 0.2099(4) -0.2757(3) 0.4679(2) 0.0524(18) Uani 1 1 d G . .
H2LA H 0.2666 -0.2433 0.4397 0.063 Uiso 1 1 calc R . .
C3A C 0.1976(4) 0.1225(3) 0.2540(3) 0.0460(16) Uani 1 1 d G . .
C3B C 0.1809(5) 0.1366(3) 0.3317(2) 0.0565(19) Uani 1 1 d G . .
H3BA H 0.1170 0.1170 0.3680 0.068 Uiso 1 1 calc R . .
C3C C 0.2579(5) 0.1794(3) 0.3562(2) 0.071(2) Uani 1 1 d G . .
H3CA H 0.2465 0.1891 0.4093 0.085 Uiso 1 1 calc R . .
C3D C 0.3514(5) 0.2081(3) 0.3031(3) 0.065(2) Uani 1 1 d G . .
H3DA H 0.4040 0.2374 0.3199 0.078 Uiso 1 1 calc R . .
C3E C 0.3681(4) 0.1940(3) 0.2255(3) 0.071(2) Uani 1 1 d G . .
H3EA H 0.4321 0.2136 0.1892 0.085 Uiso 1 1 calc R . .
C3F C 0.2912(5) 0.1512(3) 0.2009(2) 0.065(2) Uani 1 1 d G . .
H3FA H 0.3026 0.1416 0.1479 0.078 Uiso 1 1 calc R . .
C3G C 0.0775(4) 0.1106(2) 0.13468(18) 0.0396(14) Uani 1 1 d G . .
C3H C 0.0169(4) 0.2031(2) 0.1400(2) 0.0479(16) Uani 1 1 d G . .
H3HA H 0.0022 0.2361 0.1860 0.058 Uiso 1 1 calc R . .
C3I C -0.0222(4) 0.24743(19) 0.0779(2) 0.0538(18) Uani 1 1 d G . .
H3IA H -0.0637 0.3107 0.0815 0.065 Uiso 1 1 calc R . .
C3J C -0.0007(4) 0.1992(3) 0.0106(2) 0.0524(18) Uani 1 1 d G . .
H3JA H -0.0274 0.2295 -0.0318 0.063 Uiso 1 1 calc R . .
C3K C 0.0600(4) 0.1066(3) 0.00531(17) 0.0466(16) Uani 1 1 d G . .
H3KA H 0.0747 0.0737 -0.0407 0.056 Uiso 1 1 calc R . .
C3L C 0.0991(4) 0.06232(19) 0.0674(2) 0.0389(14) Uani 1 1 d G . .
H3LA H 0.1405 -0.0009 0.0637 0.047 Uiso 1 1 calc R . .
C4A C -0.2582(3) 0.0357(3) 0.38643(17) 0.0378(14) Uani 1 1 d G . .
C4B C -0.3533(4) 0.1146(3) 0.38183(18) 0.0484(17) Uani 1 1 d G . .
H4BA H -0.3528 0.1439 0.3343 0.058 Uiso 1 1 calc R . .
C4C C -0.4491(4) 0.1507(3) 0.4467(2) 0.0524(18) Uani 1 1 d G . .
H4CA H -0.5141 0.2047 0.4436 0.063 Uiso 1 1 calc R . .
C4D C -0.4499(4) 0.1080(3) 0.51619(19) 0.0556(19) Uani 1 1 d G . .
H4DA H -0.5154 0.1326 0.5605 0.067 Uiso 1 1 calc R . .
C4E C -0.3548(4) 0.0291(3) 0.52079(17) 0.0553(19) Uani 1 1 d G . .
H4EA H -0.3553 -0.0002 0.5683 0.066 Uiso 1 1 calc R . .
C4F C -0.2589(4) -0.0071(3) 0.4559(2) 0.0504(18) Uani 1 1 d G . .
H4FA H -0.1939 -0.0610 0.4591 0.060 Uiso 1 1 calc R . .
C4G C -0.2171(4) 0.0076(2) 0.22638(19) 0.0336(13) Uani 1 1 d G . .
C4H C -0.2268(4) 0.0809(2) 0.1780(2) 0.0389(14) Uani 1 1 d G . .
H4HA H -0.1856 0.1260 0.1819 0.047 Uiso 1 1 calc R . .
C4I C -0.2968(4) 0.0884(2) 0.1240(2) 0.0420(15) Uani 1 1 d G . .
H4IA H -0.3035 0.1385 0.0909 0.050 Uiso 1 1 calc R . .
C4J C -0.3571(4) 0.0225(3) 0.1183(2) 0.0395(14) Uani 1 1 d G . .
H4JA H -0.4050 0.0276 0.0813 0.047 Uiso 1 1 calc R . .
C4K C -0.3474(4) -0.0509(2) 0.1667(2) 0.0393(14) Uani 1 1 d G . .
H4KA H -0.3886 -0.0959 0.1628 0.047 Uiso 1 1 calc R . .
C4L C -0.2774(4) -0.0583(2) 0.22071(19) 0.0379(14) Uani 1 1 d G . .
H4LA H -0.2707 -0.1085 0.2538 0.045 Uiso 1 1 calc R . .
O31 O -0.6137(8) 0.6869(5) 0.8066(4) 0.104(2) Uani 1 1 d . . .
O32 O -0.7519(7) 0.7177(4) 0.7255(4) 0.106(2) Uani 1 1 d . . .
O33 O -0.5320(8) 0.6381(7) 0.6739(5) 0.139(3) Uani 1 1 d . . .
S34 S -0.6316(3) 0.65773(18) 0.74156(13) 0.0765(7) Uani 1 1 d . . .
C35 C -0.6732(6) 0.5543(4) 0.7629(3) 0.0339(13) Uani 1 1 d . . .
F36 F -0.7016(7) 0.5226(4) 0.7038(4) 0.121(2) Uani 1 1 d . . .
F37 F -0.7698(8) 0.5656(5) 0.8241(4) 0.134(3) Uani 1 1 d . . .
F38 F -0.5722(10) 0.4938(5) 0.7716(8) 0.241(7) Uani 1 1 d . . .
C41 C -0.3708(11) 0.5623(8) 0.5074(7) 0.111(4) Uani 1 1 d . . .
H41A H -0.4313 0.5616 0.5577 0.134 Uiso 1 1 calc R . .
H41B H -0.3271 0.4986 0.4899 0.134 Uiso 1 1 calc R . .
Cl42 Cl -0.2602(2) 0.61393(18) 0.51765(16) 0.0894(8) Uani 1 1 d . . .
Cl43 Cl -0.4565(3) 0.6167(3) 0.4421(2) 0.1304(13) Uani 1 1 d . . .
C51 C 1.0688(18) -0.4951(13) -0.008(2) 0.130(14) Uani 0.50 1 d P . .
Cl51 Cl 0.9339(6) -0.4789(6) -0.0584(4) 0.278(5) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.0322(3) 0.0379(3) 0.0284(2) 0.00154(18) -0.00595(19) -0.0047(2)
Ru2 0.0294(3) 0.0361(3) 0.0300(2) 0.00063(18) -0.00630(19) -0.0033(2)
P1 0.0282(8) 0.0403(8) 0.0319(7) 0.0045(6) -0.0056(6) -0.0043(7)
P2 0.0301(8) 0.0413(9) 0.0307(7) 0.0066(6) -0.0082(6) -0.0043(7)
P3 0.0377(9) 0.0360(8) 0.0369(8) -0.0017(6) -0.0088(7) -0.0089(7)
P4 0.0324(9) 0.0357(8) 0.0285(7) -0.0020(6) -0.0064(6) -0.0020(6)
C10 0.054(4) 0.052(4) 0.036(3) -0.008(3) -0.012(3) -0.001(3)
O10 0.069(4) 0.085(4) 0.052(3) -0.013(3) -0.028(3) -0.001(3)
C11 0.036(4) 0.039(3) 0.039(3) 0.002(3) -0.014(3) -0.006(3)
O11 0.043(3) 0.074(3) 0.041(3) 0.013(2) -0.002(2) -0.020(2)
C20 0.042(4) 0.050(4) 0.052(4) -0.002(3) -0.015(3) 0.001(3)
O20 0.072(4) 0.074(4) 0.065(3) -0.022(3) -0.037(3) 0.001(3)
C21 0.041(4) 0.046(4) 0.033(3) 0.007(3) -0.008(3) -0.001(3)
O21 0.042(3) 0.057(3) 0.059(3) 0.016(2) 0.006(2) -0.009(2)
C1 0.031(3) 0.047(4) 0.036(3) 0.008(3) -0.013(3) -0.006(3)
C2 0.039(4) 0.040(3) 0.034(3) -0.003(2) -0.011(3) -0.009(3)
C3 0.032(3) 0.047(4) 0.039(3) 0.007(3) -0.001(3) -0.002(3)
C4 0.036(3) 0.047(4) 0.032(3) 0.001(3) -0.004(2) -0.002(3)
C1A 0.030(3) 0.041(3) 0.048(4) 0.000(3) -0.006(3) -0.006(3)
C1B 0.040(4) 0.098(6) 0.051(4) -0.006(4) 0.000(3) -0.020(4)
C1C 0.044(5) 0.117(8) 0.071(6) -0.014(5) 0.010(4) -0.025(5)
C1D 0.034(4) 0.064(5) 0.097(7) -0.004(4) -0.010(4) -0.018(4)
C1E 0.040(4) 0.049(4) 0.082(5) 0.012(4) -0.026(4) -0.014(3)
C1F 0.036(4) 0.043(4) 0.060(4) 0.008(3) -0.016(3) -0.005(3)
C1G 0.026(3) 0.048(4) 0.033(3) 0.002(3) -0.001(2) -0.008(3)
C1H 0.046(4) 0.046(4) 0.050(4) -0.005(3) -0.001(3) -0.002(3)
C1I 0.077(6) 0.047(4) 0.072(5) -0.017(4) -0.007(4) -0.011(4)
C1J 0.054(5) 0.074(6) 0.061(5) -0.023(4) -0.005(4) -0.010(4)
C1K 0.051(4) 0.073(5) 0.043(4) -0.009(3) -0.012(3) -0.008(4)
C1L 0.036(4) 0.050(4) 0.039(3) -0.001(3) -0.003(3) -0.006(3)
C2A 0.041(4) 0.033(3) 0.031(3) 0.012(2) -0.006(3) -0.007(3)
C2B 0.042(4) 0.041(4) 0.049(4) 0.005(3) -0.005(3) -0.016(3)
C2C 0.064(5) 0.062(5) 0.061(5) 0.008(4) -0.014(4) -0.031(4)
C2D 0.093(7) 0.043(4) 0.065(5) 0.006(4) 0.006(5) -0.030(4)
C2E 0.069(5) 0.042(4) 0.066(5) 0.016(3) 0.001(4) -0.008(4)
C2F 0.046(4) 0.042(4) 0.049(4) 0.011(3) -0.008(3) 0.002(3)
C2G 0.034(3) 0.051(4) 0.032(3) 0.004(3) -0.007(3) 0.000(3)
C2H 0.047(4) 0.086(6) 0.036(3) 0.009(3) -0.008(3) -0.025(4)
C2I 0.064(5) 0.101(7) 0.035(4) 0.019(4) -0.008(4) -0.033(5)
C2J 0.066(5) 0.110(7) 0.029(3) 0.013(4) -0.012(4) -0.016(5)
C2K 0.062(5) 0.084(6) 0.039(4) 0.005(4) -0.022(4) -0.014(4)
C2L 0.045(4) 0.073(5) 0.038(3) 0.007(3) -0.015(3) -0.014(4)
C3A 0.042(4) 0.034(3) 0.060(4) -0.002(3) -0.016(3) -0.005(3)
C3B 0.070(5) 0.063(5) 0.055(4) 0.009(3) -0.031(4) -0.035(4)
C3C 0.094(7) 0.058(5) 0.083(6) 0.010(4) -0.052(5) -0.033(5)
C3D 0.056(5) 0.039(4) 0.107(7) -0.013(4) -0.046(5) -0.001(4)
C3E 0.044(5) 0.058(5) 0.105(7) -0.019(5) -0.008(5) -0.014(4)
C3F 0.047(5) 0.070(5) 0.077(6) -0.023(4) -0.008(4) -0.019(4)
C3G 0.035(4) 0.039(3) 0.042(3) 0.002(3) -0.007(3) -0.011(3)
C3H 0.048(4) 0.040(4) 0.053(4) 0.001(3) -0.007(3) -0.013(3)
C3I 0.055(4) 0.038(4) 0.059(4) 0.012(3) -0.008(3) -0.006(3)
C3J 0.048(4) 0.053(4) 0.046(4) 0.017(3) -0.002(3) -0.009(3)
C3K 0.042(4) 0.054(4) 0.036(3) 0.010(3) -0.004(3) -0.010(3)
C3L 0.035(3) 0.041(3) 0.039(3) 0.005(3) -0.009(3) -0.009(3)
C4A 0.036(3) 0.043(3) 0.030(3) -0.003(2) -0.007(2) -0.005(3)
C4B 0.044(4) 0.051(4) 0.044(4) -0.001(3) -0.014(3) -0.001(3)
C4C 0.045(4) 0.054(4) 0.045(4) -0.012(3) -0.009(3) 0.007(3)
C4D 0.042(4) 0.077(5) 0.037(4) -0.021(3) -0.003(3) -0.003(4)
C4E 0.054(4) 0.065(5) 0.032(3) -0.004(3) -0.004(3) 0.002(4)
C4F 0.047(4) 0.059(4) 0.033(3) -0.006(3) -0.010(3) 0.005(3)
C4G 0.031(3) 0.033(3) 0.032(3) -0.002(2) -0.004(2) -0.002(2)
C4H 0.042(4) 0.034(3) 0.040(3) 0.003(2) -0.011(3) -0.009(3)
C4I 0.048(4) 0.035(3) 0.040(3) 0.012(3) -0.013(3) -0.006(3)
C4J 0.036(4) 0.046(4) 0.034(3) 0.001(3) -0.014(3) -0.003(3)
C4K 0.034(3) 0.041(3) 0.043(3) 0.002(3) -0.010(3) -0.009(3)
C4L 0.037(4) 0.041(3) 0.034(3) 0.004(2) -0.009(3) -0.009(3)
O31 0.173(8) 0.107(5) 0.069(4) 0.000(4) -0.045(5) -0.082(5)
O32 0.121(6) 0.069(4) 0.108(6) 0.011(4) -0.047(5) 0.021(4)
O33 0.121(6) 0.176(9) 0.106(6) -0.013(6) 0.049(5) -0.086(6)
S34 0.0895(18) 0.0798(15) 0.0615(13) -0.0058(11) -0.0107(12) -0.0322(13)
C35 0.043(4) 0.026(3) 0.036(3) 0.001(2) -0.015(3) -0.009(3)
F36 0.157(6) 0.098(5) 0.124(5) -0.018(4) -0.027(5) -0.063(4)
F37 0.175(7) 0.114(5) 0.101(5) -0.010(4) 0.042(5) -0.090(5)
F38 0.211(10) 0.075(5) 0.48(2) 0.035(8) -0.232(13) 0.012(6)
C41 0.104(9) 0.096(8) 0.131(10) -0.007(7) -0.037(8) -0.014(7)
Cl42 0.0740(16) 0.0889(17) 0.111(2) 0.0252(14) -0.0359(14) -0.0250(13)
Cl43 0.133(3) 0.140(3) 0.124(3) -0.031(2) -0.078(2) -0.001(2)
C51 0.046(10) 0.041(10) 0.28(4) 0.079(17) -0.035(16) -0.002(8)
Cl51 0.214(6) 0.472(12) 0.174(5) -0.166(6) 0.067(5) -0.210(8)

_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 C11 1.880(6) . ?
Ru1 C10 1.920(7) . ?
Ru1 C3 2.056(7) . ?
Ru1 P1 2.3534(16) . ?
Ru1 P3 2.3633(16) . ?
Ru1 Ru2 2.8777(7) . ?
Ru2 C20 1.892(8) . ?
Ru2 C21 1.897(7) . ?
Ru2 C4 2.289(6) . ?
Ru2 C3 2.294(6) . ?
Ru2 P4 2.3563(15) . ?
Ru2 P2 2.3773(16) . ?
P1 C1 1.815(6) . ?
P1 C1G 1.828(3) . ?
P1 C1A 1.838(3) . ?
P2 C1 1.826(6) . ?
P2 C2A 1.831(4) . ?
P2 C2G 1.841(3) . ?
P3 C3G 1.833(3) . ?
P3 C3A 1.836(4) . ?
P3 C2 1.839(6) . ?
P4 C2 1.830(6) . ?
P4 C4G 1.833(3) . ?
P4 C4A 1.837(3) . ?
C10 O10 1.146(8) . ?
C11 O11 1.145(7) . ?
C20 O20 1.147(8) . ?
C21 O21 1.141(8) . ?
C3 C4 1.361(9) . ?
C1A C1B 1.3900 . ?
C1A C1F 1.3900 . ?
C1B C1C 1.3900 . ?
C1C C1D 1.3900 . ?
C1D C1E 1.3900 . ?
C1E C1F 1.3900 . ?
C1G C1H 1.3900 . ?
C1G C1L 1.3900 . ?
C1H C1I 1.3900 . ?
C1I C1J 1.3900 . ?
C1J C1K 1.3900 . ?
C1K C1L 1.3900 . ?
C2A C2B 1.3900 . ?
C2A C2F 1.3900 . ?
C2B C2C 1.3900 . ?
C2C C2D 1.3900 . ?
C2D C2E 1.3900 . ?
C2E C2F 1.3900 . ?
C2G C2H 1.3900 . ?
C2G C2L 1.3900 . ?
C2H C2I 1.3900 . ?
C2I C2J 1.3900 . ?
C2J C2K 1.3900 . ?
C2K C2L 1.3900 . ?
C3A C3B 1.3900 . ?
C3A C3F 1.3900 . ?
C3B C3C 1.3900 . ?
C3C C3D 1.3900 . ?
C3D C3E 1.3900 . ?
C3E C3F 1.3900 . ?
C3G C3H 1.3900 . ?
C3G C3L 1.3900 . ?
C3H C3I 1.3900 . ?
C3I C3J 1.3900 . ?
C3J C3K 1.3900 . ?
C3K C3L 1.3900 . ?
C4A C4B 1.3900 . ?
C4A C4F 1.3900 . ?
C4B C4C 1.3900 . ?
C4C C4D 1.3900 . ?
C4D C4E 1.3900 . ?
C4E C4F 1.3900 . ?
C4G C4H 1.3900 . ?
C4G C4L 1.3900 . ?
C4H C4I 1.3900 . ?
C4I C4J 1.3900 . ?
C4J C4K 1.3900 . ?
C4K C4L 1.3900 . ?
O31 S34 1.362(6) . ?
O32 S34 1.500(7) . ?
O33 S34 1.411(7) . ?
S34 C35 1.778(6) . ?
C35 F38 1.292(9) . ?
C35 F37 1.319(8) . ?
C35 F36 1.343(8) . ?
C41 Cl42 1.706(12) . ?
C41 Cl43 1.750(12) . ?
C51 Cl51 1.25(3) 2_745 ?
C51 C51 1.55(4) 2_745 ?
C51 Cl51 1.92(3) . ?
Cl51 C51 1.25(3) 2_745 ?

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
C11 Ru1 C10 93.2(3) . . ?
C11 Ru1 C3 108.4(2) . . ?
C10 Ru1 C3 158.3(3) . . ?
C11 Ru1 P1 89.57(18) . . ?
C10 Ru1 P1 87.4(2) . . ?
C3 Ru1 P1 94.88(18) . . ?
C11 Ru1 P3 90.04(18) . . ?
C10 Ru1 P3 91.5(2) . . ?
C3 Ru1 P3 86.33(18) . . ?
P1 Ru1 P3 178.79(6) . . ?
C11 Ru1 Ru2 160.60(19) . . ?
C10 Ru1 Ru2 106.2(2) . . ?
C3 Ru1 Ru2 52.24(17) . . ?
P1 Ru1 Ru2 90.34(4) . . ?
P3 Ru1 Ru2 90.41(4) . . ?
C20 Ru2 C21 105.4(3) . . ?
C20 Ru2 C4 156.4(3) . . ?
C21 Ru2 C4 97.9(3) . . ?
C20 Ru2 C3 124.9(3) . . ?
C21 Ru2 C3 127.0(3) . . ?
C4 Ru2 C3 34.6(2) . . ?
C20 Ru2 P4 87.1(2) . . ?
C21 Ru2 P4 88.56(19) . . ?
C4 Ru2 P4 96.33(16) . . ?
C3 Ru2 P4 79.44(16) . . ?
C20 Ru2 P2 89.2(2) . . ?
C21 Ru2 P2 87.37(19) . . ?
C4 Ru2 P2 89.08(16) . . ?
C3 Ru2 P2 106.92(16) . . ?
P4 Ru2 P2 173.63(5) . . ?
C20 Ru2 Ru1 83.5(2) . . ?
C21 Ru2 Ru1 170.9(2) . . ?
C4 Ru2 Ru1 73.00(17) . . ?
C3 Ru2 Ru1 45.12(17) . . ?
P4 Ru2 Ru1 93.68(4) . . ?
P2 Ru2 Ru1 91.10(4) . . ?
C1 P1 C1G 108.1(3) . . ?
C1 P1 C1A 102.0(2) . . ?
C1G P1 C1A 101.0(2) . . ?
C1 P1 Ru1 109.9(2) . . ?
C1G P1 Ru1 119.69(14) . . ?
C1A P1 Ru1 114.41(17) . . ?
C1 P2 C2A 103.5(3) . . ?
C1 P2 C2G 102.8(2) . . ?
C2A P2 C2G 101.7(2) . . ?
C1 P2 Ru2 114.6(2) . . ?
C2A P2 Ru2 120.13(14) . . ?
C2G P2 Ru2 111.95(16) . . ?
C3G P3 C3A 102.9(2) . . ?
C3G P3 C2 102.5(2) . . ?
C3A P3 C2 104.1(2) . . ?
C3G P3 Ru1 117.31(14) . . ?
C3A P3 Ru1 111.80(17) . . ?
C2 P3 Ru1 116.5(2) . . ?
C2 P4 C4G 108.1(2) . . ?
C2 P4 C4A 100.8(2) . . ?
C4G P4 C4A 101.92(19) . . ?
C2 P4 Ru2 109.9(2) . . ?
C4G P4 Ru2 117.47(14) . . ?
C4A P4 Ru2 117.08(14) . . ?
O10 C10 Ru1 176.5(6) . . ?
O11 C11 Ru1 178.7(6) . . ?
O20 C20 Ru2 177.2(7) . . ?
O21 C21 Ru2 179.0(6) . . ?
P1 C1 P2 112.2(3) . . ?
P4 C2 P3 115.2(3) . . ?
C4 C3 Ru1 129.9(5) . . ?
C4 C3 Ru2 72.5(4) . . ?
Ru1 C3 Ru2 82.6(2) . . ?
C3 C4 Ru2 72.9(4) . . ?
C1B C1A C1F 120.0 . . ?
C1B C1A P1 119.4(2) . . ?
C1F C1A P1 120.6(2) . . ?
C1A C1B C1C 120.0 . . ?
C1D C1C C1B 120.0 . . ?
C1C C1D C1E 120.0 . . ?
C1D C1E C1F 120.0 . . ?
C1E C1F C1A 120.0 . . ?
C1H C1G C1L 120.0 . . ?
C1H C1G P1 121.5(2) . . ?
C1L C1G P1 118.3(2) . . ?
C1I C1H C1G 120.0 . . ?
C1H C1I C1J 120.0 . . ?
C1K C1J C1I 120.0 . . ?
C1J C1K C1L 120.0 . . ?
C1K C1L C1G 120.0 . . ?
C2B C2A C2F 120.0 . . ?
C2B C2A P2 121.4(2) . . ?
C2F C2A P2 118.6(2) . . ?
C2A C2B C2C 120.0 . . ?
C2D C2C C2B 120.0 . . ?
C2E C2D C2C 120.0 . . ?
C2D C2E C2F 120.0 . . ?
C2E C2F C2A 120.0 . . ?
C2H C2G C2L 120.0 . . ?
C2H C2G P2 118.5(2) . . ?
C2L C2G P2 121.5(2) . . ?
C2G C2H C2I 120.0 . . ?
C2J C2I C2H 120.0 . . ?
C2I C2J C2K 120.0 . . ?
C2L C2K C2J 120.0 . . ?
C2K C2L C2G 120.0 . . ?
C3B C3A C3F 120.0 . . ?
C3B C3A P3 120.6(3) . . ?
C3F C3A P3 118.9(3) . . ?
C3C C3B C3A 120.0 . . ?
C3B C3C C3D 120.0 . . ?
C3C C3D C3E 120.0 . . ?
C3F C3E C3D 120.0 . . ?
C3E C3F C3A 120.0 . . ?
C3H C3G C3L 120.0 . . ?
C3H C3G P3 118.3(2) . . ?
C3L C3G P3 121.3(2) . . ?
C3G C3H C3I 120.0 . . ?
C3H C3I C3J 120.0 . . ?
C3K C3J C3I 120.0 . . ?
C3J C3K C3L 120.0 . . ?
C3K C3L C3G 120.0 . . ?
C4B C4A C4F 120.0 . . ?
C4B C4A P4 118.7(2) . . ?
C4F C4A P4 121.3(2) . . ?
C4A C4B C4C 120.0 . . ?
C4D C4C C4B 120.0 . . ?
C4C C4D C4E 120.0 . . ?
C4F C4E C4D 120.0 . . ?
C4E C4F C4A 120.0 . . ?
C4H C4G C4L 120.0 . . ?
C4H C4G P4 123.1(2) . . ?
C4L C4G P4 116.9(2) . . ?
C4G C4H C4I 120.0 . . ?
C4H C4I C4J 120.0 . . ?
C4K C4J C4I 120.0 . . ?
C4J C4K C4L 120.0 . . ?
C4K C4L C4G 120.0 . . ?
O31 S34 O33 121.2(6) . . ?
O31 S34 O32 110.1(5) . . ?
O33 S34 O32 110.7(6) . . ?
O31 S34 C35 106.9(4) . . ?
O33 S34 C35 104.7(4) . . ?
O32 S34 C35 101.1(4) . . ?
F38 C35 F37 112.7(9) . . ?
F38 C35 F36 104.4(7) . . ?
F37 C35 F36 110.4(7) . . ?
F38 C35 S34 107.2(6) . . ?
F37 C35 S34 110.1(4) . . ?
F36 C35 S34 111.9(5) . . ?
Cl42 C41 Cl43 112.7(7) . . ?
Cl51 C51 C51 86(2) 2_745 2_745 ?
Cl51 C51 Cl51 126.2(15) 2_745 . ?
C51 C51 Cl51 40.3(19) 2_745 . ?
C51 Cl51 C51 53.8(15) 2_745 . ?

_diffrn_measured_fraction_theta_max 0.796
_diffrn_reflns_theta_full        28.32
_diffrn_measured_fraction_theta_full 0.796
_refine_diff_density_max         2.421
_refine_diff_density_min         -1.462
_refine_diff_density_rms         0.125