Supplementary Material (ESI) for Dalton Transactions
This journal is © The Royal Society of Chemistry 2005

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#  experimental, refinement, atomic coordinates, 
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data_ws5wb
_database_code_depnum_ccdc_archive 'CCDC 262120'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H79 Cl N P2 Ru'
_chemical_formula_weight         820.54

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2

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

_cell_length_a                   10.672(2)
_cell_length_b                   11.352(2)
_cell_length_c                   19.703(4)
_cell_angle_alpha                86.43(3)
_cell_angle_beta                 76.10(3)
_cell_angle_gamma                74.81(3)
_cell_volume                     2236.1(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5000
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      24.71

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             882
_exptl_absorpt_coefficient_mu    0.511
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(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  'IPDS (STOE)'
_diffrn_measurement_method       Psi-Scans
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         none
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26086
_diffrn_reflns_av_R_equivalents  0.0881
_diffrn_reflns_av_sigmaI/netI    0.1174
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.41
_diffrn_reflns_theta_max         24.71
_reflns_number_total             7178
_reflns_number_gt                4230
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'IPDS (STOE)'
_computing_cell_refinement       'IPDS (STOE)'
_computing_data_reduction        'IPDS (STOE)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ZORTEP (Zsolnai)'
_computing_publication_material  ?



_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^)+(0.0672P)^2^+0.0000P] 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     SHELXL
_refine_ls_extinction_coef       0.0099(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         7178
_refine_ls_number_parameters     464
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0955
_refine_ls_R_factor_gt           0.0529
_refine_ls_wR_factor_ref         0.1325
_refine_ls_wR_factor_gt          0.1168
_refine_ls_goodness_of_fit_ref   0.857
_refine_ls_restrained_S_all      0.857
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru 0.51099(5) 0.94439(4) 0.72558(2) 0.03039(17) Uani 1 1 d . . .
P1 P 0.70368(14) 0.85633(12) 0.63505(7) 0.0294(3) Uani 1 1 d . A .
P2 P 0.34369(14) 1.09248(13) 0.80460(7) 0.0294(3) Uani 1 1 d . A .
C1 C 0.4610(6) 0.8062(5) 0.7562(3) 0.0389(14) Uani 1 1 d . A .
H1 H 0.498(6) 0.758(5) 0.792(3) 0.036(15) Uiso 1 1 d . . .
C2 C 0.3626(7) 0.7467(6) 0.7389(4) 0.0548(18) Uani 1 1 d . . .
H2A H 0.3250 0.7924 0.7014 0.082 Uiso 1 1 calc R A .
H2B H 0.2907 0.7461 0.7805 0.082 Uiso 1 1 calc R . .
H2C H 0.4078 0.6626 0.7234 0.082 Uiso 1 1 calc R . .
C10 C 0.8455(5) 0.7709(5) 0.6703(3) 0.0289(12) Uani 1 1 d . . .
H10 H 0.8576 0.8308 0.7018 0.035 Uiso 1 1 calc R A .
C11 C 0.9830(6) 0.7318(5) 0.6185(3) 0.0386(14) Uani 1 1 d . A .
H11A H 0.9853 0.6621 0.5901 0.046 Uiso 1 1 calc R . .
H11B H 0.9976 0.8003 0.5865 0.046 Uiso 1 1 calc R . .
C12 C 1.0934(6) 0.6952(6) 0.6586(3) 0.0455(16) Uani 1 1 d . . .
H12A H 1.1809 0.6674 0.6252 0.055 Uiso 1 1 calc R A .
H12B H 1.0954 0.7669 0.6840 0.055 Uiso 1 1 calc R . .
C13 C 1.0708(6) 0.5931(6) 0.7105(3) 0.0470(16) Uani 1 1 d . A .
H13A H 1.0811 0.5180 0.6845 0.056 Uiso 1 1 calc R . .
H13B H 1.1393 0.5759 0.7384 0.056 Uiso 1 1 calc R . .
C14 C 0.9333(6) 0.6263(6) 0.7592(3) 0.0424(15) Uani 1 1 d . . .
H14A H 0.9270 0.6949 0.7897 0.051 Uiso 1 1 calc R A .
H14B H 0.9200 0.5557 0.7896 0.051 Uiso 1 1 calc R . .
C15 C 0.8236(6) 0.6630(5) 0.7186(3) 0.0369(13) Uani 1 1 d . A .
H15A H 0.7352 0.6865 0.7516 0.044 Uiso 1 1 calc R . .
H15B H 0.8256 0.5930 0.6904 0.044 Uiso 1 1 calc R . .
C20 C 0.7659(6) 0.9816(5) 0.5866(3) 0.0301(12) Uani 1 1 d . . .
H20 H 0.8472 0.9426 0.5503 0.036 Uiso 1 1 calc R A .
C21 C 0.6674(6) 1.0639(5) 0.5472(3) 0.0376(14) Uani 1 1 d . A .
H21A H 0.6423 1.0133 0.5161 0.045 Uiso 1 1 calc R . .
H21B H 0.5853 1.1056 0.5812 0.045 Uiso 1 1 calc R . .
C22 C 0.7299(7) 1.1586(6) 0.5039(3) 0.0453(16) Uani 1 1 d . . .
H22A H 0.8074 1.1167 0.4673 0.054 Uiso 1 1 calc R A .
H22B H 0.6639 1.2124 0.4804 0.054 Uiso 1 1 calc R . .
C23 C 0.7754(7) 1.2354(5) 0.5487(3) 0.0444(16) Uani 1 1 d . A .
H23A H 0.6965 1.2852 0.5814 0.053 Uiso 1 1 calc R . .
H23B H 0.8211 1.2918 0.5183 0.053 Uiso 1 1 calc R . .
C24 C 0.8702(7) 1.1561(5) 0.5901(3) 0.0460(16) Uani 1 1 d . . .
H24A H 0.9548 1.1159 0.5574 0.055 Uiso 1 1 calc R A .
H24B H 0.8909 1.2085 0.6220 0.055 Uiso 1 1 calc R . .
C25 C 0.8105(6) 1.0589(5) 0.6328(3) 0.0385(14) Uani 1 1 d . A .
H25A H 0.7329 1.0988 0.6699 0.046 Uiso 1 1 calc R . .
H25B H 0.8778 1.0052 0.6556 0.046 Uiso 1 1 calc R . .
C30 C 0.6763(6) 0.7703(5) 0.5659(3) 0.0358(13) Uani 1 1 d . . .
H30 H 0.5900 0.8179 0.5553 0.043 Uiso 1 1 calc R A .
C31 C 0.6560(7) 0.6452(5) 0.5903(3) 0.0444(15) Uani 1 1 d . A .
H31A H 0.5880 0.6539 0.6351 0.053 Uiso 1 1 calc R . .
H31B H 0.7407 0.5921 0.5986 0.053 Uiso 1 1 calc R . .
C32 C 0.6107(7) 0.5848(6) 0.5361(3) 0.0464(16) Uani 1 1 d . . .
H32A H 0.6016 0.5026 0.5527 0.056 Uiso 1 1 calc R A .
H32B H 0.5223 0.6341 0.5306 0.056 Uiso 1 1 calc R . .
C33 C 0.7111(7) 0.5737(5) 0.4657(3) 0.0448(15) Uani 1 1 d . A .
H33A H 0.7965 0.5164 0.4701 0.054 Uiso 1 1 calc R . .
H33B H 0.6771 0.5400 0.4307 0.054 Uiso 1 1 calc R . .
C34 C 0.7352(7) 0.6958(6) 0.4411(3) 0.0475(16) Uani 1 1 d . . .
H34A H 0.6518 0.7503 0.4321 0.057 Uiso 1 1 calc R A .
H34B H 0.8040 0.6851 0.3967 0.057 Uiso 1 1 calc R . .
C35 C 0.7811(7) 0.7554(6) 0.4952(3) 0.0410(15) Uani 1 1 d . A .
H35A H 0.7935 0.8363 0.4781 0.049 Uiso 1 1 calc R . .
H35B H 0.8679 0.7041 0.5019 0.049 Uiso 1 1 calc R . .
C40 C 0.1807(5) 1.1324(5) 0.7809(3) 0.0320(13) Uani 1 1 d . . .
H40 H 0.2025 1.1320 0.7286 0.038 Uiso 1 1 calc R A .
C41 C 0.0811(6) 1.2574(5) 0.8021(3) 0.0378(14) Uani 1 1 d . A .
H41A H 0.0472 1.2611 0.8535 0.045 Uiso 1 1 calc R . .
H41B H 0.1268 1.3236 0.7878 0.045 Uiso 1 1 calc R . .
C42 C -0.1054(6) 1.1730(5) 0.7844(3) 0.0427(15) Uani 1 1 d . A .
H42A H -0.1756 1.1846 0.7579 0.051 Uiso 1 1 calc R . .
H42B H -0.1493 1.1768 0.8349 0.051 Uiso 1 1 calc R . .
C43 C -0.0356(6) 1.2749(5) 0.7666(3) 0.0415(15) Uani 1 1 d . . .
H43A H -0.1005 1.3539 0.7815 0.050 Uiso 1 1 calc R A .
H43B H -0.0017 1.2779 0.7153 0.050 Uiso 1 1 calc R . .
C44 C -0.0090(6) 1.0480(6) 0.7675(3) 0.0405(14) Uani 1 1 d . . .
H44A H 0.0260 1.0397 0.7162 0.049 Uiso 1 1 calc R A .
H44B H -0.0568 0.9838 0.7835 0.049 Uiso 1 1 calc R . .
C45 C 0.1067(6) 1.0308(5) 0.8029(3) 0.0346(13) Uani 1 1 d . A .
H45A H 0.1699 0.9502 0.7900 0.042 Uiso 1 1 calc R . .
H45B H 0.0723 1.0325 0.8543 0.042 Uiso 1 1 calc R . .
C50 C 0.3918(5) 1.2386(5) 0.7949(3) 0.0306(12) Uani 1 1 d . . .
H50 H 0.3125 1.3023 0.8195 0.037 Uiso 1 1 calc R A .
C51 C 0.4205(6) 1.2739(5) 0.7180(3) 0.0363(13) Uani 1 1 d . A .
H51A H 0.3413 1.2773 0.6993 0.044 Uiso 1 1 calc R . .
H51B H 0.4961 1.2105 0.6916 0.044 Uiso 1 1 calc R . .
C52 C 0.4545(6) 1.3975(5) 0.7067(3) 0.0435(15) Uani 1 1 d . . .
H52A H 0.4774 1.4147 0.6560 0.052 Uiso 1 1 calc R A .
H52B H 0.3756 1.4624 0.7287 0.052 Uiso 1 1 calc R . .
C53 C 0.5716(6) 1.3989(5) 0.7382(3) 0.0442(15) Uani 1 1 d . A .
H53A H 0.6533 1.3408 0.7124 0.053 Uiso 1 1 calc R . .
H53B H 0.5873 1.4815 0.7333 0.053 Uiso 1 1 calc R . .
C54 C 0.5434(7) 1.3639(5) 0.8148(3) 0.0437(15) Uani 1 1 d . . .
H54A H 0.4682 1.4277 0.8411 0.052 Uiso 1 1 calc R A .
H54B H 0.6228 1.3607 0.8332 0.052 Uiso 1 1 calc R . .
C55 C 0.5090(6) 1.2414(5) 0.8272(3) 0.0384(14) Uani 1 1 d . A .
H55A H 0.4848 1.2260 0.8781 0.046 Uiso 1 1 calc R . .
H55B H 0.5881 1.1757 0.8062 0.046 Uiso 1 1 calc R . .
C60 C 0.3264(6) 1.0572(5) 0.8982(3) 0.0341(13) Uani 1 1 d . . .
H60 H 0.4124 1.0619 0.9084 0.041 Uiso 1 1 calc R A .
C61 C 0.2167(6) 1.1540(6) 0.9466(3) 0.0406(15) Uani 1 1 d . A .
H61A H 0.2294 1.2364 0.9333 0.049 Uiso 1 1 calc R . .
H61B H 0.1278 1.1519 0.9408 0.049 Uiso 1 1 calc R . .
C62 C 0.2230(8) 1.1290(6) 1.0233(3) 0.0554(19) Uani 1 1 d . . .
H62A H 0.3086 1.1394 1.0299 0.066 Uiso 1 1 calc R A .
H62B H 0.1496 1.1891 1.0535 0.066 Uiso 1 1 calc R . .
C63 C 0.2116(8) 1.0013(7) 1.0450(3) 0.0567(19) Uani 1 1 d . A .
H63A H 0.1222 0.9934 1.0431 0.068 Uiso 1 1 calc R . .
H63B H 0.2211 0.9865 1.0938 0.068 Uiso 1 1 calc R . .
C64 C 0.3184(7) 0.9064(6) 0.9972(3) 0.0492(16) Uani 1 1 d . . .
H64A H 0.3058 0.8242 1.0111 0.059 Uiso 1 1 calc R A .
H64B H 0.4074 0.9088 1.0029 0.059 Uiso 1 1 calc R . .
C65 C 0.3134(7) 0.9285(5) 0.9203(3) 0.0444(15) Uani 1 1 d . A .
H65A H 0.3869 0.8676 0.8907 0.053 Uiso 1 1 calc R . .
H65B H 0.2278 0.9185 0.9134 0.053 Uiso 1 1 calc R . .
C80 C 1.3678(11) 0.3940(8) 1.0848(5) 0.087(3) Uani 1 1 d . . .
H80A H 1.3115 0.3373 1.1007 0.130 Uiso 1 1 calc R . .
H80B H 1.3996 0.4146 1.1241 0.130 Uiso 1 1 calc R . .
H80C H 1.4444 0.3555 1.0477 0.130 Uiso 1 1 calc R . .
C81 C 1.2858(16) 0.5112(12) 1.0566(6) 0.131(5) Uani 1 1 d . . .
H81A H 1.2052 0.5453 1.0936 0.158 Uiso 1 1 calc R . .
H81B H 1.3397 0.5719 1.0472 0.158 Uiso 1 1 calc R . .
C82 C 1.2463(12) 0.4972(12) 0.9971(6) 0.113(4) Uani 1 1 d . . .
H82A H 1.1942 0.4351 1.0068 0.136 Uiso 1 1 calc R . .
H82B H 1.3276 0.4630 0.9606 0.136 Uiso 1 1 calc R . .
C83 C 1.1629(14) 0.6095(11) 0.9657(7) 0.123(4) Uani 1 1 d . . .
H83A H 1.0788 0.6422 1.0008 0.148 Uiso 1 1 calc R . .
H83B H 1.2127 0.6733 0.9568 0.148 Uiso 1 1 calc R . .
C84 C 1.1296(13) 0.5871(14) 0.9011(6) 0.128(5) Uani 1 1 d . . .
Cl Cl 0.6512(3) 0.9266(2) 0.81079(14) 0.0385(6) Uani 0.71 1 d P A 1
C3 C 0.4045(12) 0.9739(9) 0.6576(6) 0.052(4) Uani 0.71 1 d P A 1
N3 N 0.3382(11) 0.9987(9) 0.6182(5) 0.050(3) Uani 0.71 1 d P A 1
Cl' Cl 0.3761(10) 0.9912(8) 0.6349(5) 0.033(2) Uiso 0.29 1 d P A 2
C3' C 0.610(2) 0.9307(17) 0.7859(11) 0.025(5) Uiso 0.29 1 d P A 2
N3' N 0.6908(19) 0.9151(16) 0.8279(10) 0.025(5) Uiso 0.29 1 d P A 2

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
Ru 0.0286(3) 0.0325(3) 0.0298(3) -0.00115(17) -0.00489(18) -0.00893(19)
P1 0.0258(8) 0.0333(7) 0.0276(7) -0.0020(6) -0.0034(6) -0.0069(6)
P2 0.0254(7) 0.0338(7) 0.0280(7) -0.0027(6) -0.0042(6) -0.0071(6)
C1 0.036(3) 0.033(3) 0.042(3) -0.004(3) -0.002(3) -0.003(3)
C2 0.045(4) 0.046(4) 0.074(5) -0.006(3) -0.002(3) -0.022(3)
C10 0.021(3) 0.031(3) 0.031(3) -0.002(2) 0.000(2) -0.005(2)
C11 0.030(3) 0.043(3) 0.039(3) 0.002(3) -0.004(3) -0.005(3)
C12 0.029(3) 0.057(4) 0.048(4) 0.004(3) -0.010(3) -0.007(3)
C13 0.036(3) 0.050(4) 0.051(4) 0.002(3) -0.016(3) 0.000(3)
C14 0.038(3) 0.046(3) 0.041(3) 0.004(3) -0.016(3) -0.001(3)
C15 0.035(3) 0.036(3) 0.037(3) 0.004(2) -0.007(3) -0.007(3)
C20 0.032(3) 0.030(3) 0.027(3) 0.002(2) -0.005(2) -0.008(2)
C21 0.035(3) 0.040(3) 0.037(3) -0.001(2) -0.010(3) -0.007(3)
C22 0.050(4) 0.045(3) 0.040(3) 0.010(3) -0.008(3) -0.013(3)
C23 0.057(4) 0.034(3) 0.038(3) 0.001(2) -0.003(3) -0.011(3)
C24 0.053(4) 0.041(3) 0.048(4) -0.002(3) -0.009(3) -0.023(3)
C25 0.041(3) 0.040(3) 0.038(3) -0.002(2) -0.012(3) -0.013(3)
C30 0.032(3) 0.038(3) 0.037(3) -0.001(2) -0.002(2) -0.012(3)
C31 0.057(4) 0.042(3) 0.038(3) -0.002(3) -0.007(3) -0.021(3)
C32 0.051(4) 0.042(3) 0.049(4) -0.010(3) -0.011(3) -0.016(3)
C33 0.054(4) 0.045(3) 0.040(3) -0.004(3) -0.016(3) -0.016(3)
C34 0.061(4) 0.050(4) 0.032(3) -0.007(3) -0.007(3) -0.018(3)
C35 0.048(4) 0.043(3) 0.031(3) -0.002(2) 0.000(3) -0.019(3)
C40 0.027(3) 0.034(3) 0.031(3) -0.006(2) -0.003(2) -0.003(3)
C41 0.031(3) 0.037(3) 0.047(3) -0.002(3) -0.011(3) -0.011(3)
C42 0.031(3) 0.047(3) 0.050(4) -0.003(3) -0.012(3) -0.007(3)
C43 0.026(3) 0.045(3) 0.051(4) 0.001(3) -0.010(3) -0.005(3)
C44 0.032(3) 0.045(3) 0.050(4) -0.002(3) -0.011(3) -0.019(3)
C45 0.030(3) 0.033(3) 0.043(3) 0.000(2) -0.011(2) -0.009(3)
C50 0.028(3) 0.031(3) 0.031(3) -0.002(2) -0.006(2) -0.005(2)
C51 0.035(3) 0.042(3) 0.035(3) 0.008(2) -0.008(2) -0.016(3)
C52 0.037(3) 0.044(3) 0.054(4) 0.013(3) -0.012(3) -0.019(3)
C53 0.034(3) 0.038(3) 0.062(4) 0.005(3) -0.008(3) -0.018(3)
C54 0.038(4) 0.044(3) 0.052(4) -0.003(3) -0.008(3) -0.017(3)
C55 0.038(3) 0.045(3) 0.040(3) 0.002(3) -0.016(3) -0.019(3)
C60 0.034(3) 0.039(3) 0.031(3) 0.001(2) -0.006(2) -0.013(3)
C61 0.044(4) 0.050(3) 0.027(3) -0.003(3) -0.006(3) -0.012(3)
C62 0.072(5) 0.064(4) 0.027(3) -0.007(3) -0.003(3) -0.018(4)
C63 0.068(5) 0.079(5) 0.030(3) 0.009(3) -0.007(3) -0.037(4)
C64 0.065(5) 0.055(4) 0.034(3) 0.016(3) -0.015(3) -0.026(3)
C65 0.054(4) 0.045(3) 0.035(3) 0.004(3) -0.011(3) -0.016(3)
C80 0.119(8) 0.073(5) 0.084(6) 0.024(5) -0.046(6) -0.038(6)
C81 0.193(14) 0.146(11) 0.087(8) 0.016(7) -0.056(9) -0.080(10)
C82 0.108(9) 0.162(11) 0.075(7) -0.017(7) -0.013(6) -0.047(8)
C83 0.143(11) 0.110(8) 0.141(11) 0.007(8) -0.088(9) -0.025(8)
C84 0.103(9) 0.180(12) 0.093(8) -0.012(8) -0.025(7) -0.019(9)
Cl 0.0322(12) 0.0489(14) 0.0355(13) -0.0049(10) -0.0162(12) -0.0039(10)
C3 0.047(7) 0.039(6) 0.040(7) 0.017(5) 0.016(5) 0.014(5)
N3 0.052(6) 0.064(6) 0.032(5) -0.012(4) -0.006(4) -0.011(5)

_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
Ru C3' 1.75(3) . ?
Ru C1 1.810(6) . ?
Ru C3 1.917(15) . ?
Ru P1 2.4068(17) . ?
Ru P2 2.4199(17) . ?
Ru Cl 2.471(3) . ?
Ru Cl' 2.502(10) . ?
P1 C10 1.835(5) . ?
P1 C20 1.843(6) . ?
P1 C30 1.844(6) . ?
P2 C60 1.838(5) . ?
P2 C40 1.844(6) . ?
P2 C50 1.847(6) . ?
C1 C2 1.500(9) . ?
C10 C15 1.535(8) . ?
C10 C11 1.545(7) . ?
C11 C12 1.528(8) . ?
C12 C13 1.525(9) . ?
C13 C14 1.515(9) . ?
C14 C15 1.530(8) . ?
C20 C25 1.534(8) . ?
C20 C21 1.538(7) . ?
C21 C22 1.522(9) . ?
C22 C23 1.515(9) . ?
C23 C24 1.527(9) . ?
C24 C25 1.524(9) . ?
C30 C31 1.524(8) . ?
C30 C35 1.550(8) . ?
C31 C32 1.536(8) . ?
C32 C33 1.525(9) . ?
C33 C34 1.505(9) . ?
C34 C35 1.532(8) . ?
C40 C41 1.545(7) . ?
C40 C45 1.547(8) . ?
C41 C43 1.534(8) . ?
C42 C43 1.515(9) . ?
C42 C44 1.521(8) . ?
C44 C45 1.524(8) . ?
C50 C51 1.523(7) . ?
C50 C55 1.541(8) . ?
C51 C52 1.529(8) . ?
C52 C53 1.526(9) . ?
C53 C54 1.516(9) . ?
C54 C55 1.520(9) . ?
C60 C65 1.530(8) . ?
C60 C61 1.552(7) . ?
C61 C62 1.533(8) . ?
C62 C63 1.514(10) . ?
C63 C64 1.520(9) . ?
C64 C65 1.533(8) . ?
C80 C81 1.542(14) . ?
C81 C82 1.369(14) . ?
C82 C83 1.540(15) . ?
C83 C84 1.454(15) . ?
C3 N3 1.146(16) . ?
C3' N3' 1.30(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
C3' Ru C1 92.5(7) . . ?
C3' Ru C3 174.8(7) . . ?
C1 Ru C3 92.6(4) . . ?
C3' Ru P1 91.0(6) . . ?
C1 Ru P1 98.57(18) . . ?
C3 Ru P1 89.2(3) . . ?
C3' Ru P2 86.8(6) . . ?
C1 Ru P2 100.42(18) . . ?
C3 Ru P2 91.3(3) . . ?
P1 Ru P2 160.96(5) . . ?
C3' Ru Cl 0.4(7) . . ?
C1 Ru Cl 92.9(2) . . ?
C3 Ru Cl 174.4(3) . . ?
P1 Ru Cl 91.06(7) . . ?
P2 Ru Cl 86.63(6) . . ?
C3' Ru Cl' 172.3(7) . . ?
C1 Ru Cl' 95.2(3) . . ?
C3 Ru Cl' 2.6(5) . . ?
P1 Ru Cl' 88.6(2) . . ?
P2 Ru Cl' 91.0(2) . . ?
Cl Ru Cl' 171.8(2) . . ?
C10 P1 C20 103.0(3) . . ?
C10 P1 C30 111.9(3) . . ?
C20 P1 C30 103.1(3) . . ?
C10 P1 Ru 112.39(17) . . ?
C20 P1 Ru 108.19(17) . . ?
C30 P1 Ru 116.8(2) . . ?
C60 P2 C40 111.6(3) . . ?
C60 P2 C50 103.9(3) . . ?
C40 P2 C50 103.2(2) . . ?
C60 P2 Ru 115.69(18) . . ?
C40 P2 Ru 112.50(17) . . ?
C50 P2 Ru 108.79(18) . . ?
C2 C1 Ru 132.7(5) . . ?
C15 C10 C11 108.9(4) . . ?
C15 C10 P1 116.7(4) . . ?
C11 C10 P1 117.5(4) . . ?
C12 C11 C10 109.9(5) . . ?
C13 C12 C11 111.0(6) . . ?
C14 C13 C12 111.9(5) . . ?
C13 C14 C15 111.4(5) . . ?
C14 C15 C10 109.5(5) . . ?
C25 C20 C21 110.3(4) . . ?
C25 C20 P1 112.7(4) . . ?
C21 C20 P1 113.6(4) . . ?
C22 C21 C20 110.6(5) . . ?
C23 C22 C21 111.7(5) . . ?
C22 C23 C24 111.4(5) . . ?
C25 C24 C23 112.0(5) . . ?
C24 C25 C20 111.3(5) . . ?
C31 C30 C35 108.7(5) . . ?
C31 C30 P1 112.7(4) . . ?
C35 C30 P1 116.9(4) . . ?
C30 C31 C32 111.5(5) . . ?
C33 C32 C31 110.7(6) . . ?
C34 C33 C32 111.1(5) . . ?
C33 C34 C35 111.6(5) . . ?
C34 C35 C30 110.2(5) . . ?
C41 C40 C45 108.8(5) . . ?
C41 C40 P2 120.3(4) . . ?
C45 C40 P2 111.2(4) . . ?
C43 C41 C40 109.5(5) . . ?
C43 C42 C44 112.0(5) . . ?
C42 C43 C41 111.9(5) . . ?
C42 C44 C45 110.7(5) . . ?
C44 C45 C40 110.8(5) . . ?
C51 C50 C55 110.7(5) . . ?
C51 C50 P2 109.4(4) . . ?
C55 C50 P2 115.1(4) . . ?
C50 C51 C52 112.0(5) . . ?
C53 C52 C51 111.2(5) . . ?
C54 C53 C52 110.6(5) . . ?
C53 C54 C55 112.8(5) . . ?
C54 C55 C50 111.1(5) . . ?
C65 C60 C61 110.4(5) . . ?
C65 C60 P2 116.1(4) . . ?
C61 C60 P2 113.7(4) . . ?
C62 C61 C60 110.5(5) . . ?
C63 C62 C61 111.5(5) . . ?
C62 C63 C64 110.9(6) . . ?
C63 C64 C65 111.9(5) . . ?
C60 C65 C64 110.4(5) . . ?
C82 C81 C80 115.6(11) . . ?
C81 C82 C83 119.0(11) . . ?
C84 C83 C82 115.2(10) . . ?
N3 C3 Ru 175.9(9) . . ?
N3' C3' Ru 175.9(18) . . ?

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
C3' Ru P1 C10 19.1(7) . . . . ?
C1 Ru P1 C10 -73.5(3) . . . . ?
C3 Ru P1 C10 -166.0(4) . . . . ?
P2 Ru P1 C10 102.3(2) . . . . ?
Cl Ru P1 C10 19.5(2) . . . . ?
Cl' Ru P1 C10 -168.6(3) . . . . ?
C3' Ru P1 C20 -93.9(7) . . . . ?
C1 Ru P1 C20 173.4(3) . . . . ?
C3 Ru P1 C20 80.9(4) . . . . ?
P2 Ru P1 C20 -10.8(3) . . . . ?
Cl Ru P1 C20 -93.5(2) . . . . ?
Cl' Ru P1 C20 78.4(3) . . . . ?
C3' Ru P1 C30 150.4(7) . . . . ?
C1 Ru P1 C30 57.7(3) . . . . ?
C3 Ru P1 C30 -34.8(4) . . . . ?
P2 Ru P1 C30 -126.5(2) . . . . ?
Cl Ru P1 C30 150.8(2) . . . . ?
Cl' Ru P1 C30 -37.4(3) . . . . ?
C3' Ru P2 C60 -38.9(7) . . . . ?
C1 Ru P2 C60 53.0(3) . . . . ?
C3 Ru P2 C60 145.9(4) . . . . ?
P1 Ru P2 C60 -122.8(3) . . . . ?
Cl Ru P2 C60 -39.3(2) . . . . ?
Cl' Ru P2 C60 148.5(3) . . . . ?
C3' Ru P2 C40 -168.8(7) . . . . ?
C1 Ru P2 C40 -76.9(3) . . . . ?
C3 Ru P2 C40 16.0(4) . . . . ?
P1 Ru P2 C40 107.4(3) . . . . ?
Cl Ru P2 C40 -169.2(2) . . . . ?
Cl' Ru P2 C40 18.6(3) . . . . ?
C3' Ru P2 C50 77.5(7) . . . . ?
C1 Ru P2 C50 169.4(3) . . . . ?
C3 Ru P2 C50 -97.7(4) . . . . ?
P1 Ru P2 C50 -6.4(3) . . . . ?
Cl Ru P2 C50 77.09(19) . . . . ?
Cl' Ru P2 C50 -95.1(3) . . . . ?
C3' Ru C1 C2 173.8(8) . . . . ?
C3 Ru C1 C2 -5.3(6) . . . . ?
P1 Ru C1 C2 -94.8(6) . . . . ?
P2 Ru C1 C2 86.6(6) . . . . ?
Cl Ru C1 C2 173.7(6) . . . . ?
Cl' Ru C1 C2 -5.4(6) . . . . ?
C20 P1 C10 C15 176.0(4) . . . . ?
C30 P1 C10 C15 -73.9(4) . . . . ?
Ru P1 C10 C15 59.8(4) . . . . ?
C20 P1 C10 C11 -51.9(5) . . . . ?
C30 P1 C10 C11 58.3(5) . . . . ?
Ru P1 C10 C11 -168.1(4) . . . . ?
C15 C10 C11 C12 -60.3(6) . . . . ?
P1 C10 C11 C12 164.1(4) . . . . ?
C10 C11 C12 C13 57.1(7) . . . . ?
C11 C12 C13 C14 -54.3(7) . . . . ?
C12 C13 C14 C15 54.7(7) . . . . ?
C13 C14 C15 C10 -57.8(6) . . . . ?
C11 C10 C15 C14 60.3(6) . . . . ?
P1 C10 C15 C14 -163.8(4) . . . . ?
C10 P1 C20 C25 -57.3(4) . . . . ?
C30 P1 C20 C25 -173.8(4) . . . . ?
Ru P1 C20 C25 61.9(4) . . . . ?
C10 P1 C20 C21 176.3(4) . . . . ?
C30 P1 C20 C21 59.8(4) . . . . ?
Ru P1 C20 C21 -64.6(4) . . . . ?
C25 C20 C21 C22 56.9(6) . . . . ?
P1 C20 C21 C22 -175.5(4) . . . . ?
C20 C21 C22 C23 -56.9(6) . . . . ?
C21 C22 C23 C24 55.0(7) . . . . ?
C22 C23 C24 C25 -53.6(7) . . . . ?
C23 C24 C25 C20 54.3(6) . . . . ?
C21 C20 C25 C24 -55.7(6) . . . . ?
P1 C20 C25 C24 176.1(4) . . . . ?
C10 P1 C30 C31 56.3(5) . . . . ?
C20 P1 C30 C31 166.3(4) . . . . ?
Ru P1 C30 C31 -75.2(4) . . . . ?
C10 P1 C30 C35 -70.8(5) . . . . ?
C20 P1 C30 C35 39.3(5) . . . . ?
Ru P1 C30 C35 157.7(4) . . . . ?
C35 C30 C31 C32 -58.1(7) . . . . ?
P1 C30 C31 C32 170.6(4) . . . . ?
C30 C31 C32 C33 57.1(7) . . . . ?
C31 C32 C33 C34 -55.1(7) . . . . ?
C32 C33 C34 C35 56.1(7) . . . . ?
C33 C34 C35 C30 -57.7(7) . . . . ?
C31 C30 C35 C34 57.8(7) . . . . ?
P1 C30 C35 C34 -173.2(4) . . . . ?
C60 P2 C40 C41 73.9(5) . . . . ?
C50 P2 C40 C41 -37.1(5) . . . . ?
Ru P2 C40 C41 -154.2(4) . . . . ?
C60 P2 C40 C45 -55.0(4) . . . . ?
C50 P2 C40 C45 -166.0(4) . . . . ?
Ru P2 C40 C45 76.9(4) . . . . ?
C45 C40 C41 C43 -58.7(6) . . . . ?
P2 C40 C41 C43 171.3(4) . . . . ?
C44 C42 C43 C41 -54.9(7) . . . . ?
C40 C41 C43 C42 57.1(7) . . . . ?
C43 C42 C44 C45 54.4(7) . . . . ?
C42 C44 C45 C40 -57.2(7) . . . . ?
C41 C40 C45 C44 59.7(6) . . . . ?
P2 C40 C45 C44 -165.5(4) . . . . ?
C60 P2 C50 C51 175.5(4) . . . . ?
C40 P2 C50 C51 -67.9(4) . . . . ?
Ru P2 C50 C51 51.8(4) . . . . ?
C60 P2 C50 C55 50.1(4) . . . . ?
C40 P2 C50 C55 166.6(4) . . . . ?
Ru P2 C50 C55 -73.7(4) . . . . ?
C55 C50 C51 C52 -54.8(6) . . . . ?
P2 C50 C51 C52 177.3(4) . . . . ?
C50 C51 C52 C53 55.9(7) . . . . ?
C51 C52 C53 C54 -55.1(7) . . . . ?
C52 C53 C54 C55 55.4(7) . . . . ?
C53 C54 C55 C50 -54.8(7) . . . . ?
C51 C50 C55 C54 53.7(6) . . . . ?
P2 C50 C55 C54 178.4(4) . . . . ?
C40 P2 C60 C65 80.9(5) . . . . ?
C50 P2 C60 C65 -168.6(4) . . . . ?
Ru P2 C60 C65 -49.4(5) . . . . ?
C40 P2 C60 C61 -48.9(5) . . . . ?
C50 P2 C60 C61 61.6(5) . . . . ?
Ru P2 C60 C61 -179.3(4) . . . . ?
C65 C60 C61 C62 56.2(7) . . . . ?
P2 C60 C61 C62 -171.2(5) . . . . ?
C60 C61 C62 C63 -56.2(8) . . . . ?
C61 C62 C63 C64 55.9(8) . . . . ?
C62 C63 C64 C65 -56.1(8) . . . . ?
C61 C60 C65 C64 -56.1(7) . . . . ?
P2 C60 C65 C64 172.5(4) . . . . ?
C63 C64 C65 C60 56.5(8) . . . . ?
C80 C81 C82 C83 179.5(11) . . . . ?
C81 C82 C83 C84 177.8(13) . . . . ?
C3' Ru C3 N3 -35(17) . . . . ?
C1 Ru C3 N3 134(12) . . . . ?
P1 Ru C3 N3 -127(12) . . . . ?
P2 Ru C3 N3 34(12) . . . . ?
Cl Ru C3 N3 -35(14) . . . . ?
Cl' Ru C3 N3 -49(13) . . . . ?
C1 Ru C3' N3' 83(27) . . . . ?
C3 Ru C3' N3' -108(26) . . . . ?
P1 Ru C3' N3' -16(27) . . . . ?
P2 Ru C3' N3' -177(27) . . . . ?
Cl Ru C3' N3' -111(100) . . . . ?
Cl' Ru C3' N3' -103(26) . . . . ?

_diffrn_measured_fraction_theta_max 0.940
_diffrn_reflns_theta_full        24.71
_diffrn_measured_fraction_theta_full 0.940
_refine_diff_density_max         0.716
_refine_diff_density_min         -0.995
_refine_diff_density_rms         0.094