  
data_1 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C42 H64 Cl2 O3 P2 Ru, 0.5(C6 H14)' 
_chemical_formula_sum 
 'C45 H71 Cl2 O3 P2 Ru' 
_chemical_formula_weight          893.93 
  
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' 
 '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            Orthorhombic 
_symmetry_space_group_name_H-M    Pbca 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, -y, z+1/2' 
 '-x, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, -z' 
 '-x, -y, -z' 
 'x-1/2, y, -z-1/2' 
 'x, -y-1/2, z-1/2' 
 '-x-1/2, y-1/2, z' 
  
_cell_length_a                    13.703(2) 
_cell_length_b                    16.085(3) 
_cell_length_c                    41.003(7) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      9038(3) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     125(2) 
_cell_measurement_reflns_used     29486 
_cell_measurement_theta_min       1.3 
_cell_measurement_theta_max       29.2 
  
_exptl_crystal_description        Chunk 
_exptl_crystal_colour             Orange 
_exptl_crystal_size_max           0.18 
_exptl_crystal_size_mid           0.14 
_exptl_crystal_size_min           0.03 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.314 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              3784 
_exptl_absorpt_coefficient_mu     0.573 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.548 
_exptl_absorpt_correction_T_max   1.000 
_exptl_absorpt_process_details    'Jacobson, R. (1998) Private communication' 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       125(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   CCD 
_diffrn_measurement_method        'ω scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             67079 
_diffrn_reflns_av_R_equivalents   0.1184 
_diffrn_reflns_av_sigmaI/netI     0.0663 
_diffrn_reflns_limit_h_min        -16 
_diffrn_reflns_limit_h_max        16 
_diffrn_reflns_limit_k_min        -19 
_diffrn_reflns_limit_k_max        17 
_diffrn_reflns_limit_l_min        -43 
_diffrn_reflns_limit_l_max        49 
_diffrn_reflns_theta_min          0.99 
_diffrn_reflns_theta_max          25.45 
_reflns_number_total              8344 
_reflns_number_gt                 7198 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'CrystalClear (Rigaku Corp., 2004)' 
_computing_cell_refinement        'CrystalClear (Rigaku Corp., 2004)' 
_computing_data_reduction         'CrystalClear (Rigaku Corp., 2004)' 
_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 F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.1190P)²+9.1519P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          8344 
_refine_ls_number_parameters      485 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0992 
_refine_ls_R_factor_gt            0.0730 
_refine_ls_wR_factor_ref          0.2295 
_refine_ls_wR_factor_gt           0.1980 
_refine_ls_goodness_of_fit_ref    1.270 
_refine_ls_restrained_S_all       1.270 
_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 
Ru1 Ru 0.10004(3) 0.08811(3) 0.371796(11) 0.02214(18) Uani 1 1 d . . . 
Cl1 Cl 0.10295(10) -0.05338(9) 0.35593(4) 0.0330(4) Uani 1 1 d . . . 
Cl2 Cl 0.22373(10) 0.04800(8) 0.41014(3) 0.0287(3) Uani 1 1 d . . . 
P1 P 0.02293(10) 0.10759(9) 0.32422(4) 0.0252(3) Uani 1 1 d . . . 
P2 P 0.15592(10) 0.22673(8) 0.38060(4) 0.0228(3) Uani 1 1 d . . . 
O1 O -0.0659(3) 0.0500(3) 0.31376(10) 0.0325(9) Uani 1 1 d . . . 
O2 O 0.0898(3) 0.0961(2) 0.29274(10) 0.0278(9) Uani 1 1 d . . . 
O3 O -0.0167(3) 0.1994(2) 0.31787(9) 0.0288(9) Uani 1 1 d . . . 
C1 C -0.0169(4) 0.1040(3) 0.39397(14) 0.0250(11) Uani 1 1 d . . . 
C2 C -0.1002(4) 0.1589(4) 0.38924(15) 0.0276(12) Uani 1 1 d . . . 
H2 H -0.1039 0.2005 0.3728 0.033 Uiso 1 1 calc R . . 
C3 C -0.1716(4) 0.1433(3) 0.41118(14) 0.0257(12) Uani 1 1 d . . . 
C4 C -0.1395(4) 0.0745(3) 0.43253(14) 0.0272(12) Uani 1 1 d . . . 
C5 C -0.1819(4) 0.0376(4) 0.45926(14) 0.0305(13) Uani 1 1 d . . . 
H5 H -0.2453 0.0536 0.4662 0.037 Uiso 1 1 calc R . . 
C6 C -0.1303(4) -0.0235(4) 0.47590(14) 0.0320(13) Uani 1 1 d . . . 
H6 H -0.1582 -0.0482 0.4948 0.038 Uiso 1 1 calc R . . 
C7 C -0.0388(4) -0.0490(4) 0.46550(15) 0.0321(13) Uani 1 1 d . . . 
H7 H -0.0054 -0.0919 0.4768 0.038 Uiso 1 1 calc R . . 
C8 C 0.0044(4) -0.0115(3) 0.43823(14) 0.0279(12) Uani 1 1 d . . . 
H8 H 0.0669 -0.0288 0.4308 0.033 Uiso 1 1 calc R . . 
C9 C -0.0449(4) 0.0505(3) 0.42243(13) 0.0243(11) Uani 1 1 d . . . 
C10 C -0.2646(4) 0.1870(4) 0.41354(14) 0.0297(12) Uani 1 1 d . . . 
C11 C -0.2700(4) 0.2721(4) 0.40749(16) 0.0346(14) Uani 1 1 d . . . 
H11 H -0.2124 0.3014 0.4016 0.041 Uiso 1 1 calc R . . 
C12 C -0.3567(5) 0.3148(4) 0.40982(16) 0.0370(14) Uani 1 1 d . . . 
H12 H -0.3585 0.3729 0.4057 0.044 Uiso 1 1 calc R . . 
C13 C -0.4414(5) 0.2730(4) 0.41816(17) 0.0386(15) Uani 1 1 d . . . 
H13 H -0.5013 0.3025 0.4200 0.046 Uiso 1 1 calc R . . 
C14 C -0.4387(4) 0.1884(4) 0.42383(16) 0.0350(14) Uani 1 1 d . . . 
H14 H -0.4970 0.1596 0.4293 0.042 Uiso 1 1 calc R . . 
C15 C -0.3508(4) 0.1452(4) 0.42153(14) 0.0298(12) Uani 1 1 d . . . 
H15 H -0.3494 0.0870 0.4254 0.036 Uiso 1 1 calc R . . 
C16 C -0.1274(5) -0.0038(4) 0.33380(16) 0.0391(15) Uani 1 1 d . . . 
H16 H -0.1003 -0.0075 0.3564 0.047 Uiso 1 1 calc R . . 
C17 C -0.2281(5) 0.0320(5) 0.3346(2) 0.053(2) Uani 1 1 d . . . 
H17A H -0.2257 0.0882 0.3438 0.080 Uiso 1 1 calc R . . 
H17B H -0.2701 -0.0031 0.3482 0.080 Uiso 1 1 calc R . . 
H17C H -0.2544 0.0344 0.3124 0.080 Uiso 1 1 calc R . . 
C18 C -0.1269(6) -0.0889(4) 0.3179(2) 0.0520(19) Uani 1 1 d . . . 
H18A H -0.1509 -0.0842 0.2955 0.078 Uiso 1 1 calc R . . 
H18B H -0.1694 -0.1265 0.3303 0.078 Uiso 1 1 calc R . . 
H18C H -0.0603 -0.1109 0.3178 0.078 Uiso 1 1 calc R . . 
C19 C 0.1087(5) 0.0181(4) 0.27567(16) 0.0372(15) Uani 1 1 d . . . 
H19 H 0.0788 -0.0291 0.2880 0.045 Uiso 1 1 calc R . . 
C20 C 0.0625(6) 0.0245(5) 0.24256(17) 0.0505(18) Uani 1 1 d . . . 
H20A H -0.0085 0.0284 0.2449 0.076 Uiso 1 1 calc R . . 
H20B H 0.0790 -0.0249 0.2297 0.076 Uiso 1 1 calc R . . 
H20C H 0.0870 0.0743 0.2314 0.076 Uiso 1 1 calc R . . 
C21 C 0.2166(5) 0.0071(5) 0.2742(2) 0.0527(19) Uani 1 1 d . . . 
H21A H 0.2462 0.0561 0.2640 0.079 Uiso 1 1 calc R . . 
H21B H 0.2321 -0.0424 0.2613 0.079 Uiso 1 1 calc R . . 
H21C H 0.2424 0.0005 0.2964 0.079 Uiso 1 1 calc R . . 
C22 C -0.0620(4) 0.2267(4) 0.28728(15) 0.0336(13) Uani 1 1 d . . . 
H22 H -0.0770 0.1774 0.2732 0.040 Uiso 1 1 calc R . . 
C23 C 0.0084(5) 0.2825(4) 0.27034(16) 0.0424(16) Uani 1 1 d . . . 
H23A H 0.0263 0.3285 0.2849 0.064 Uiso 1 1 calc R . . 
H23B H -0.0218 0.3048 0.2505 0.064 Uiso 1 1 calc R . . 
H23C H 0.0671 0.2510 0.2645 0.064 Uiso 1 1 calc R . . 
C24 C -0.1557(5) 0.2697(5) 0.29718(19) 0.055(2) Uani 1 1 d . . . 
H24A H -0.1971 0.2308 0.3093 0.082 Uiso 1 1 calc R . . 
H24B H -0.1903 0.2887 0.2776 0.082 Uiso 1 1 calc R . . 
H24C H -0.1404 0.3177 0.3110 0.082 Uiso 1 1 calc R . . 
C25 C 0.2689(4) 0.2420(3) 0.35627(13) 0.0240(11) Uani 1 1 d . . . 
H25 H 0.2871 0.3020 0.3582 0.029 Uiso 1 1 calc R . . 
C26 C 0.2501(4) 0.2248(4) 0.31992(14) 0.0313(13) Uani 1 1 d . . . 
H26A H 0.2354 0.1651 0.3168 0.038 Uiso 1 1 calc R . . 
H26B H 0.1927 0.2572 0.3126 0.038 Uiso 1 1 calc R . . 
C27 C 0.3385(4) 0.2485(4) 0.29936(15) 0.0359(14) Uani 1 1 d . . . 
H27A H 0.3251 0.2365 0.2761 0.043 Uiso 1 1 calc R . . 
H27B H 0.3515 0.3087 0.3016 0.043 Uiso 1 1 calc R . . 
C28 C 0.4270(5) 0.1994(4) 0.31050(16) 0.0364(14) Uani 1 1 d . . . 
H28A H 0.4848 0.2166 0.2977 0.044 Uiso 1 1 calc R . . 
H28B H 0.4158 0.1394 0.3066 0.044 Uiso 1 1 calc R . . 
C29 C 0.4462(4) 0.2139(4) 0.34683(15) 0.0338(14) Uani 1 1 d . . . 
H29A H 0.5025 0.1796 0.3538 0.041 Uiso 1 1 calc R . . 
H29B H 0.4632 0.2730 0.3504 0.041 Uiso 1 1 calc R . . 
C30 C 0.3573(4) 0.1916(4) 0.36728(14) 0.0295(13) Uani 1 1 d . . . 
H30A H 0.3710 0.2032 0.3906 0.035 Uiso 1 1 calc R . . 
H30B H 0.3431 0.1316 0.3650 0.035 Uiso 1 1 calc R . . 
C31 C 0.1973(4) 0.2440(3) 0.42290(14) 0.0279(12) Uani 1 1 d . . . 
H31 H 0.2506 0.2024 0.4260 0.034 Uiso 1 1 calc R . . 
C32 C 0.2465(4) 0.3276(3) 0.42934(15) 0.0302(13) Uani 1 1 d . . . 
H32A H 0.2974 0.3377 0.4127 0.036 Uiso 1 1 calc R . . 
H32B H 0.1976 0.3728 0.4277 0.036 Uiso 1 1 calc R . . 
C33 C 0.2920(4) 0.3282(4) 0.46298(15) 0.0328(13) Uani 1 1 d . . . 
H33A H 0.3197 0.3840 0.4674 0.039 Uiso 1 1 calc R . . 
H33B H 0.3462 0.2875 0.4636 0.039 Uiso 1 1 calc R . . 
C34 C 0.2180(5) 0.3067(4) 0.48969(15) 0.0389(15) Uani 1 1 d . . . 
H34A H 0.2516 0.3045 0.5110 0.047 Uiso 1 1 calc R . . 
H34B H 0.1676 0.3506 0.4908 0.047 Uiso 1 1 calc R . . 
C35 C 0.1698(5) 0.2236(4) 0.48294(15) 0.0360(14) Uani 1 1 d . . . 
H35A H 0.1192 0.2129 0.4996 0.043 Uiso 1 1 calc R . . 
H35B H 0.2191 0.1788 0.4844 0.043 Uiso 1 1 calc R . . 
C36 C 0.1232(5) 0.2225(4) 0.44924(14) 0.0310(13) Uani 1 1 d . . . 
H36A H 0.0958 0.1667 0.4449 0.037 Uiso 1 1 calc R . . 
H36B H 0.0690 0.2631 0.4486 0.037 Uiso 1 1 calc R . . 
C37 C 0.0787(4) 0.3179(3) 0.36911(15) 0.0275(12) Uani 1 1 d . . . 
H37 H 0.0358 0.2985 0.3509 0.033 Uiso 1 1 calc R . . 
C38 C 0.0099(4) 0.3472(4) 0.39636(15) 0.0300(13) Uani 1 1 d . . . 
H38A H -0.0277 0.2991 0.4047 0.036 Uiso 1 1 calc R . . 
H38B H 0.0491 0.3697 0.4146 0.036 Uiso 1 1 calc R . . 
C39 C -0.0600(4) 0.4133(3) 0.38449(17) 0.0347(14) Uani 1 1 d . . . 
H39A H -0.1024 0.4312 0.4027 0.042 Uiso 1 1 calc R . . 
H39B H -0.1022 0.3898 0.3672 0.042 Uiso 1 1 calc R . . 
C40 C -0.0048(5) 0.4880(4) 0.37112(16) 0.0382(15) Uani 1 1 d . . . 
H40A H -0.0518 0.5291 0.3624 0.046 Uiso 1 1 calc R . . 
H40B H 0.0323 0.5149 0.3889 0.046 Uiso 1 1 calc R . . 
C41 C 0.0649(4) 0.4613(4) 0.34425(16) 0.0333(13) Uani 1 1 d . . . 
H41A H 0.1026 0.5102 0.3367 0.040 Uiso 1 1 calc R . . 
H41B H 0.0268 0.4401 0.3255 0.040 Uiso 1 1 calc R . . 
C42 C 0.1355(4) 0.3940(3) 0.35577(14) 0.0265(12) Uani 1 1 d . . . 
H42A H 0.1781 0.4168 0.3731 0.032 Uiso 1 1 calc R . . 
H42B H 0.1774 0.3764 0.3374 0.032 Uiso 1 1 calc R . . 
C43 C 0.4013(12) 0.1387(11) 0.5185(5) 0.176(9) Uani 1 1 d . . . 
H43A H 0.4109 0.1084 0.5390 0.264 Uiso 1 1 calc R . . 
H43B H 0.3403 0.1704 0.5196 0.264 Uiso 1 1 calc R . . 
H43C H 0.4560 0.1769 0.5150 0.264 Uiso 1 1 calc R . . 
C44 C 0.3958(8) 0.0738(10) 0.4887(5) 0.149(9) Uani 1 1 d . . . 
H44A H 0.3856 0.1055 0.4683 0.179 Uiso 1 1 calc R . . 
H44B H 0.3378 0.0380 0.4920 0.179 Uiso 1 1 calc R . . 
C45 C 0.4895(10) 0.0145(11) 0.4839(4) 0.144(7) Uani 1 1 d . . . 
H45A H 0.4743 -0.0324 0.4692 0.173 Uiso 1 1 calc R . . 
H45B H 0.5453 0.0461 0.4749 0.173 Uiso 1 1 calc R . . 
  
  
_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 C1 1.860(5) . ? 
Ru1 P1 2.2404(16) . ? 
Ru1 Cl1 2.3673(15) . ? 
Ru1 P2 2.3850(15) . ? 
Ru1 Cl2 2.4002(14) . ? 
P1 O1 1.589(4) . ? 
P1 O2 1.594(4) . ? 
P1 O3 1.594(4) . ? 
P2 C31 1.846(6) . ? 
P2 C25 1.859(5) . ? 
P2 C37 1.868(6) . ? 
O1 C16 1.461(7) . ? 
O2 C19 1.459(7) . ? 
O3 C22 1.467(7) . ? 
C1 C2 1.456(7) . ? 
C1 C9 1.500(8) . ? 
C2 C3 1.353(8) . ? 
C2 H2 0.9500 . ? 
C3 C10 1.458(7) . ? 
C3 C4 1.479(8) . ? 
C4 C5 1.375(8) . ? 
C4 C9 1.414(8) . ? 
C5 C6 1.389(9) . ? 
C5 H5 0.9500 . ? 
C6 C7 1.387(8) . ? 
C6 H6 0.9500 . ? 
C7 C8 1.402(8) . ? 
C7 H7 0.9500 . ? 
C8 C9 1.368(8) . ? 
C8 H8 0.9500 . ? 
C10 C11 1.393(8) . ? 
C10 C15 1.398(8) . ? 
C11 C12 1.377(8) . ? 
C11 H11 0.9500 . ? 
C12 C13 1.384(9) . ? 
C12 H12 0.9500 . ? 
C13 C14 1.381(9) . ? 
C13 H13 0.9500 . ? 
C14 C15 1.395(8) . ? 
C14 H14 0.9500 . ? 
C15 H15 0.9500 . ? 
C16 C17 1.496(9) . ? 
C16 C18 1.515(10) . ? 
C16 H16 1.0000 . ? 
C17 H17A 0.9800 . ? 
C17 H17B 0.9800 . ? 
C17 H17C 0.9800 . ? 
C18 H18A 0.9800 . ? 
C18 H18B 0.9800 . ? 
C18 H18C 0.9800 . ? 
C19 C21 1.490(9) . ? 
C19 C20 1.501(10) . ? 
C19 H19 1.0000 . ? 
C20 H20A 0.9800 . ? 
C20 H20B 0.9800 . ? 
C20 H20C 0.9800 . ? 
C21 H21A 0.9800 . ? 
C21 H21B 0.9800 . ? 
C21 H21C 0.9800 . ? 
C22 C23 1.491(9) . ? 
C22 C24 1.514(9) . ? 
C22 H22 1.0000 . ? 
C23 H23A 0.9800 . ? 
C23 H23B 0.9800 . ? 
C23 H23C 0.9800 . ? 
C24 H24A 0.9800 . ? 
C24 H24B 0.9800 . ? 
C24 H24C 0.9800 . ? 
C25 C30 1.525(7) . ? 
C25 C26 1.538(8) . ? 
C25 H25 1.0000 . ? 
C26 C27 1.524(8) . ? 
C26 H26A 0.9900 . ? 
C26 H26B 0.9900 . ? 
C27 C28 1.518(9) . ? 
C27 H27A 0.9900 . ? 
C27 H27B 0.9900 . ? 
C28 C29 1.531(9) . ? 
C28 H28A 0.9900 . ? 
C28 H28B 0.9900 . ? 
C29 C30 1.522(8) . ? 
C29 H29A 0.9900 . ? 
C29 H29B 0.9900 . ? 
C30 H30A 0.9900 . ? 
C30 H30B 0.9900 . ? 
C31 C36 1.521(8) . ? 
C31 C32 1.527(7) . ? 
C31 H31 1.0000 . ? 
C32 C33 1.514(8) . ? 
C32 H32A 0.9900 . ? 
C32 H32B 0.9900 . ? 
C33 C34 1.532(9) . ? 
C33 H33A 0.9900 . ? 
C33 H33B 0.9900 . ? 
C34 C35 1.516(8) . ? 
C34 H34A 0.9900 . ? 
C34 H34B 0.9900 . ? 
C35 C36 1.522(9) . ? 
C35 H35A 0.9900 . ? 
C35 H35B 0.9900 . ? 
C36 H36A 0.9900 . ? 
C36 H36B 0.9900 . ? 
C37 C38 1.536(8) . ? 
C37 C42 1.551(8) . ? 
C37 H37 1.0000 . ? 
C38 C39 1.512(8) . ? 
C38 H38A 0.9900 . ? 
C38 H38B 0.9900 . ? 
C39 C40 1.522(9) . ? 
C39 H39A 0.9900 . ? 
C39 H39B 0.9900 . ? 
C40 C41 1.520(9) . ? 
C40 H40A 0.9900 . ? 
C40 H40B 0.9900 . ? 
C41 C42 1.526(8) . ? 
C41 H41A 0.9900 . ? 
C41 H41B 0.9900 . ? 
C42 H42A 0.9900 . ? 
C42 H42B 0.9900 . ? 
C43 C44 1.61(2) . ? 
C43 H43A 0.9800 . ? 
C43 H43B 0.9800 . ? 
C43 H43C 0.9800 . ? 
C44 C45 1.61(2) . ? 
C44 H44A 0.9900 . ? 
C44 H44B 0.9900 . ? 
C45 C45 1.43(3) 5_656 ? 
C45 H45A 0.9900 . ? 
C45 H45B 0.9900 . ? 
  
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 
C1 Ru1 P1 89.99(18) . . ? 
C1 Ru1 Cl1 106.33(17) . . ? 
P1 Ru1 Cl1 84.44(5) . . ? 
C1 Ru1 P2 94.24(17) . . ? 
P1 Ru1 P2 98.77(5) . . ? 
Cl1 Ru1 P2 159.22(5) . . ? 
C1 Ru1 Cl2 108.98(18) . . ? 
P1 Ru1 Cl2 160.21(5) . . ? 
Cl1 Ru1 Cl2 84.82(5) . . ? 
P2 Ru1 Cl2 85.72(5) . . ? 
O1 P1 O2 98.8(2) . . ? 
O1 P1 O3 103.6(2) . . ? 
O2 P1 O3 99.9(2) . . ? 
O1 P1 Ru1 120.98(17) . . ? 
O2 P1 Ru1 114.71(16) . . ? 
O3 P1 Ru1 115.62(16) . . ? 
C31 P2 C25 103.2(2) . . ? 
C31 P2 C37 107.0(3) . . ? 
C25 P2 C37 103.5(2) . . ? 
C31 P2 Ru1 112.44(18) . . ? 
C25 P2 Ru1 108.06(17) . . ? 
C37 P2 Ru1 120.90(19) . . ? 
C16 O1 P1 129.5(4) . . ? 
C19 O2 P1 126.2(4) . . ? 
C22 O3 P1 124.1(3) . . ? 
C2 C1 C9 104.5(5) . . ? 
C2 C1 Ru1 133.9(4) . . ? 
C9 C1 Ru1 121.4(4) . . ? 
C3 C2 C1 111.5(5) . . ? 
C3 C2 H2 124.3 . . ? 
C1 C2 H2 124.3 . . ? 
C2 C3 C10 125.9(5) . . ? 
C2 C3 C4 108.5(5) . . ? 
C10 C3 C4 125.6(5) . . ? 
C5 C4 C9 120.2(5) . . ? 
C5 C4 C3 132.0(5) . . ? 
C9 C4 C3 107.7(5) . . ? 
C4 C5 C6 118.8(5) . . ? 
C4 C5 H5 120.6 . . ? 
C6 C5 H5 120.6 . . ? 
C7 C6 C5 121.2(5) . . ? 
C7 C6 H6 119.4 . . ? 
C5 C6 H6 119.4 . . ? 
C6 C7 C8 120.0(5) . . ? 
C6 C7 H7 120.0 . . ? 
C8 C7 H7 120.0 . . ? 
C9 C8 C7 118.9(5) . . ? 
C9 C8 H8 120.6 . . ? 
C7 C8 H8 120.6 . . ? 
C8 C9 C4 120.9(5) . . ? 
C8 C9 C1 131.3(5) . . ? 
C4 C9 C1 107.8(5) . . ? 
C11 C10 C15 118.0(5) . . ? 
C11 C10 C3 120.6(5) . . ? 
C15 C10 C3 121.4(5) . . ? 
C12 C11 C10 121.6(6) . . ? 
C12 C11 H11 119.2 . . ? 
C10 C11 H11 119.2 . . ? 
C11 C12 C13 119.9(6) . . ? 
C11 C12 H12 120.0 . . ? 
C13 C12 H12 120.0 . . ? 
C14 C13 C12 119.9(6) . . ? 
C14 C13 H13 120.1 . . ? 
C12 C13 H13 120.1 . . ? 
C13 C14 C15 120.2(6) . . ? 
C13 C14 H14 119.9 . . ? 
C15 C14 H14 119.9 . . ? 
C14 C15 C10 120.4(6) . . ? 
C14 C15 H15 119.8 . . ? 
C10 C15 H15 119.8 . . ? 
O1 C16 C17 108.5(6) . . ? 
O1 C16 C18 106.9(5) . . ? 
C17 C16 C18 111.2(6) . . ? 
O1 C16 H16 110.1 . . ? 
C17 C16 H16 110.1 . . ? 
C18 C16 H16 110.1 . . ? 
C16 C17 H17A 109.5 . . ? 
C16 C17 H17B 109.5 . . ? 
H17A C17 H17B 109.5 . . ? 
C16 C17 H17C 109.5 . . ? 
H17A C17 H17C 109.5 . . ? 
H17B C17 H17C 109.5 . . ? 
C16 C18 H18A 109.5 . . ? 
C16 C18 H18B 109.5 . . ? 
H18A C18 H18B 109.5 . . ? 
C16 C18 H18C 109.5 . . ? 
H18A C18 H18C 109.5 . . ? 
H18B C18 H18C 109.5 . . ? 
O2 C19 C21 107.3(5) . . ? 
O2 C19 C20 107.4(5) . . ? 
C21 C19 C20 112.9(6) . . ? 
O2 C19 H19 109.7 . . ? 
C21 C19 H19 109.7 . . ? 
C20 C19 H19 109.7 . . ? 
C19 C20 H20A 109.5 . . ? 
C19 C20 H20B 109.5 . . ? 
H20A C20 H20B 109.5 . . ? 
C19 C20 H20C 109.5 . . ? 
H20A C20 H20C 109.5 . . ? 
H20B C20 H20C 109.5 . . ? 
C19 C21 H21A 109.5 . . ? 
C19 C21 H21B 109.5 . . ? 
H21A C21 H21B 109.5 . . ? 
C19 C21 H21C 109.5 . . ? 
H21A C21 H21C 109.5 . . ? 
H21B C21 H21C 109.5 . . ? 
O3 C22 C23 107.7(5) . . ? 
O3 C22 C24 105.5(5) . . ? 
C23 C22 C24 113.4(6) . . ? 
O3 C22 H22 110.0 . . ? 
C23 C22 H22 110.0 . . ? 
C24 C22 H22 110.0 . . ? 
C22 C23 H23A 109.5 . . ? 
C22 C23 H23B 109.5 . . ? 
H23A C23 H23B 109.5 . . ? 
C22 C23 H23C 109.5 . . ? 
H23A C23 H23C 109.5 . . ? 
H23B C23 H23C 109.5 . . ? 
C22 C24 H24A 109.5 . . ? 
C22 C24 H24B 109.5 . . ? 
H24A C24 H24B 109.5 . . ? 
C22 C24 H24C 109.5 . . ? 
H24A C24 H24C 109.5 . . ? 
H24B C24 H24C 109.5 . . ? 
C30 C25 C26 108.9(5) . . ? 
C30 C25 P2 115.6(4) . . ? 
C26 C25 P2 110.9(4) . . ? 
C30 C25 H25 107.0 . . ? 
C26 C25 H25 107.0 . . ? 
P2 C25 H25 107.0 . . ? 
C27 C26 C25 111.0(5) . . ? 
C27 C26 H26A 109.4 . . ? 
C25 C26 H26A 109.4 . . ? 
C27 C26 H26B 109.4 . . ? 
C25 C26 H26B 109.4 . . ? 
H26A C26 H26B 108.0 . . ? 
C28 C27 C26 109.8(5) . . ? 
C28 C27 H27A 109.7 . . ? 
C26 C27 H27A 109.7 . . ? 
C28 C27 H27B 109.7 . . ? 
C26 C27 H27B 109.7 . . ? 
H27A C27 H27B 108.2 . . ? 
C27 C28 C29 110.6(5) . . ? 
C27 C28 H28A 109.5 . . ? 
C29 C28 H28A 109.5 . . ? 
C27 C28 H28B 109.5 . . ? 
C29 C28 H28B 109.5 . . ? 
H28A C28 H28B 108.1 . . ? 
C30 C29 C28 111.2(5) . . ? 
C30 C29 H29A 109.4 . . ? 
C28 C29 H29A 109.4 . . ? 
C30 C29 H29B 109.4 . . ? 
C28 C29 H29B 109.4 . . ? 
H29A C29 H29B 108.0 . . ? 
C29 C30 C25 110.3(5) . . ? 
C29 C30 H30A 109.6 . . ? 
C25 C30 H30A 109.6 . . ? 
C29 C30 H30B 109.6 . . ? 
C25 C30 H30B 109.6 . . ? 
H30A C30 H30B 108.1 . . ? 
C36 C31 C32 111.8(5) . . ? 
C36 C31 P2 115.4(4) . . ? 
C32 C31 P2 115.5(4) . . ? 
C36 C31 H31 104.2 . . ? 
C32 C31 H31 104.2 . . ? 
P2 C31 H31 104.2 . . ? 
C33 C32 C31 110.2(5) . . ? 
C33 C32 H32A 109.6 . . ? 
C31 C32 H32A 109.6 . . ? 
C33 C32 H32B 109.6 . . ? 
C31 C32 H32B 109.6 . . ? 
H32A C32 H32B 108.1 . . ? 
C32 C33 C34 112.1(5) . . ? 
C32 C33 H33A 109.2 . . ? 
C34 C33 H33A 109.2 . . ? 
C32 C33 H33B 109.2 . . ? 
C34 C33 H33B 109.2 . . ? 
H33A C33 H33B 107.9 . . ? 
C35 C34 C33 110.9(5) . . ? 
C35 C34 H34A 109.5 . . ? 
C33 C34 H34A 109.5 . . ? 
C35 C34 H34B 109.5 . . ? 
C33 C34 H34B 109.5 . . ? 
H34A C34 H34B 108.0 . . ? 
C34 C35 C36 111.0(5) . . ? 
C34 C35 H35A 109.4 . . ? 
C36 C35 H35A 109.4 . . ? 
C34 C35 H35B 109.4 . . ? 
C36 C35 H35B 109.4 . . ? 
H35A C35 H35B 108.0 . . ? 
C31 C36 C35 111.2(5) . . ? 
C31 C36 H36A 109.4 . . ? 
C35 C36 H36A 109.4 . . ? 
C31 C36 H36B 109.4 . . ? 
C35 C36 H36B 109.4 . . ? 
H36A C36 H36B 108.0 . . ? 
C38 C37 C42 108.8(5) . . ? 
C38 C37 P2 113.9(4) . . ? 
C42 C37 P2 115.1(4) . . ? 
C38 C37 H37 106.1 . . ? 
C42 C37 H37 106.1 . . ? 
P2 C37 H37 106.1 . . ? 
C39 C38 C37 111.8(5) . . ? 
C39 C38 H38A 109.3 . . ? 
C37 C38 H38A 109.3 . . ? 
C39 C38 H38B 109.3 . . ? 
C37 C38 H38B 109.3 . . ? 
H38A C38 H38B 107.9 . . ? 
C38 C39 C40 110.9(5) . . ? 
C38 C39 H39A 109.5 . . ? 
C40 C39 H39A 109.5 . . ? 
C38 C39 H39B 109.5 . . ? 
C40 C39 H39B 109.5 . . ? 
H39A C39 H39B 108.1 . . ? 
C41 C40 C39 110.5(5) . . ? 
C41 C40 H40A 109.5 . . ? 
C39 C40 H40A 109.5 . . ? 
C41 C40 H40B 109.5 . . ? 
C39 C40 H40B 109.5 . . ? 
H40A C40 H40B 108.1 . . ? 
C40 C41 C42 112.0(5) . . ? 
C40 C41 H41A 109.2 . . ? 
C42 C41 H41A 109.2 . . ? 
C40 C41 H41B 109.2 . . ? 
C42 C41 H41B 109.2 . . ? 
H41A C41 H41B 107.9 . . ? 
C41 C42 C37 110.6(5) . . ? 
C41 C42 H42A 109.5 . . ? 
C37 C42 H42A 109.5 . . ? 
C41 C42 H42B 109.5 . . ? 
C37 C42 H42B 109.5 . . ? 
H42A C42 H42B 108.1 . . ? 
C44 C43 H43A 109.5 . . ? 
C44 C43 H43B 109.5 . . ? 
H43A C43 H43B 109.5 . . ? 
C44 C43 H43C 109.5 . . ? 
H43A C43 H43C 109.5 . . ? 
H43B C43 H43C 109.5 . . ? 
C43 C44 C45 116.1(15) . . ? 
C43 C44 H44A 108.3 . . ? 
C45 C44 H44A 108.3 . . ? 
C43 C44 H44B 108.3 . . ? 
C45 C44 H44B 108.3 . . ? 
H44A C44 H44B 107.4 . . ? 
C45 C45 C44 103.9(19) 5_656 . ? 
C45 C45 H45A 111.0 5_656 . ? 
C44 C45 H45A 111.0 . . ? 
C45 C45 H45B 111.0 5_656 . ? 
C44 C45 H45B 111.0 . . ? 
H45A C45 H45B 109.0 . . ? 
  
_diffrn_measured_fraction_theta_max    0.996 
_diffrn_reflns_theta_full              25.24 
_diffrn_measured_fraction_theta_full   0.997 
_refine_diff_density_max    1.119 
_refine_diff_density_min   -1.678 
_refine_diff_density_rms    0.373 

