# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2000
# CCDC Number: 440/220


data_00092

_audit_creation_method            SHELXL-97
_chemical_formula_moiety          'C31 H52 O P2 Ru'
_chemical_formula_sum             'C31 H52 O P2 Ru'
_chemical_formula_weight          603.74

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'
 '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'

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

_cell_length_a                    8.884(3)
_cell_length_b                    11.352(4)
_cell_length_c                    16.041(6)
_cell_angle_alpha                 93.353(8)
_cell_angle_beta                  92.003(8)
_cell_angle_gamma                 97.681(11)
_cell_volume                      1598.9(10)
_cell_formula_units_Z             2
_cell_measurement_temperature     111(2)
_cell_measurement_reflns_used     511
_cell_measurement_theta_min       2.85
_cell_measurement_theta_max       35.41

_exptl_crystal_description        plate
_exptl_crystal_colour             black
_exptl_crystal_size_max           .16
_exptl_crystal_size_mid           .15
_exptl_crystal_size_min           .03
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.254
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              640
_exptl_absorpt_coefficient_mu     0.611
_exptl_absorpt_correction_type    'numerical (Gaussian)'
_exptl_absorpt_correction_T_min   .907
_exptl_absorpt_correction_T_max   .983
_exptl_absorpt_process_details    'XPREP 5.10 (Bruker, 1997)'

_exptl_special_details
;
 The crystal was twinned (as were all other crystals of the same sample 
that
 were examined).  Of 999 reflections selected for unit cell 
determination,
 998 could be satisfactorilly indexed according to at least one of the 
two
 orientation matrices.  The two orientations are related by a 180 degree
 rotation about the 0 1 1 reciprocal lattice line, which corresponds to
 principal face of the plate.  The unit cell determination reported 
herein
 reflects the results of a unit cell refinement against those 
reflections
 indexed only by the principal twin component.  Indexing of the two twin
 orientations was performed with Gemini 1.02 (Bruker, 2000).
;

_diffrn_measurement_details
 '   0.30 degree frames measured for  10.13 seconds each'

_diffrn_ambient_temperature       111(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'normal-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device        'three-circle goniometer with fixed chi'
_diffrn_measurement_device_type   'Bruker Platform goniometer'
_diffrn_measurement_method        '\w scans'
_diffrn_detector                  'CCD area detector'
_diffrn_detector_type             'Bruker SMART 6000'
_diffrn_detector_area_resol_mean  44.52
_diffrn_standards_number          94
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   614
_diffrn_standards_decay_%         -0.7
_diffrn_reflns_number             68114
_diffrn_reflns_av_R_equivalents   0.0970
_diffrn_reflns_av_sigmaI/netI     0.1510
_diffrn_reflns_limit_h_min        -11
_diffrn_reflns_limit_h_max        11
_diffrn_reflns_limit_k_min        -14
_diffrn_reflns_limit_k_max        14
_diffrn_reflns_limit_l_min        -20
_diffrn_reflns_limit_l_max        20
_diffrn_reflns_theta_min          2.15
_diffrn_reflns_theta_max          27.51
_diffrn_measured_fraction_theta_max    0.988
_diffrn_reflns_theta_full              27.51
_diffrn_measured_fraction_theta_full   0.988
_reflns_number_total              19002
_reflns_number_gt                 11132
_reflns_threshold_expression      'I > 2\s(I)'

_computing_data_collection        'SMART (Bruker, 1999)'
_computing_cell_refinement        'SMART (Bruker, 1999)'
_computing_data_reduction
    'SAINT (Bruker, 1999), Gemini (Bruker 2000), XTEL (local package)'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'XTEL (local package)'
_computing_publication_material   'XTEL (local package)'

_refine_special_details
;
 Non-overlapped reflections from the same twin component were averaged 
when
 they had identical indices.  Overlapped reflections were also averaged 
when
 they had identical indices and were attributable to the same twin
component,
 and had a similar degree of overlap (which should always be the case).

 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^ > 2\s(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.
;

_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
; calc
   [\s^2^(Fo^2^)+(0.0500Fo^2^)^2^]^-1^
;
_atom_sites_solution_primary      direct
_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          19002
_refine_ls_number_parameters      340
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0912
_refine_ls_R_factor_gt            0.0553
_refine_ls_wR_factor_ref          0.1401
_refine_ls_wR_factor_gt           0.1326
_refine_ls_goodness_of_fit_ref    0.911
_refine_ls_restrained_S_all       0.911
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_diff_density_max    1.574
_refine_diff_density_min   -1.183
_refine_diff_density_rms    0.145

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 0.5000 0.5000 0.5000 0.01721(11) Uani 1 2 d S . .
P2 P 0.46707(11) 0.53894(8) 0.64508(6) 0.01570(19) Uani 1 1 d . . .
C3 C 0.6244(4) 0.6472(3) 0.6948(2) 0.0207(8) Uani 1 1 d . . .
H3A H 0.6072 0.6585 0.7559 0.025 Uiso 1 1 calc R . .
C4 C 0.6301(5) 0.7682(4) 0.6553(3) 0.0318(10) Uani 1 1 d . . .
H4A H 0.7160 0.8233 0.6807 0.048 Uiso 1 1 calc R . .
H4B H 0.5352 0.8010 0.6651 0.048 Uiso 1 1 calc R . .
H4C H 0.6429 0.7571 0.5950 0.048 Uiso 1 1 calc R . .
C5 C 0.7762(4) 0.5986(4) 0.6836(3) 0.0274(9) Uani 1 1 d . . .
H5A H 0.8587 0.6543 0.7118 0.041 Uiso 1 1 calc R . .
H5B H 0.7951 0.5894 0.6239 0.041 Uiso 1 1 calc R . .
H5C H 0.7718 0.5211 0.7079 0.041 Uiso 1 1 calc R . .
C6 C 0.4700(5) 0.4063(3) 0.7065(2) 0.0237(9) Uani 1 1 d . . .
H6A H 0.5609 0.3696 0.6885 0.028 Uiso 1 1 calc R . .
C7 C 0.4899(5) 0.4272(4) 0.8022(2) 0.0327(10) Uani 1 1 d . . .
H7A H 0.5070 0.3528 0.8267 0.049 Uiso 1 1 calc R . .
H7B H 0.3979 0.4540 0.8244 0.049 Uiso 1 1 calc R . .
H7C H 0.5773 0.4882 0.8165 0.049 Uiso 1 1 calc R . .
C8 C 0.3338(5) 0.3127(4) 0.6835(3) 0.0374(10) Uani 1 1 d . . .
H8A H 0.3571 0.2346 0.6986 0.056 Uiso 1 1 calc R . .
H8B H 0.3107 0.3105 0.6231 0.056 Uiso 1 1 calc R . .
H8C H 0.2457 0.3328 0.7137 0.056 Uiso 1 1 calc R . .
C9 C 0.2957(4) 0.6108(4) 0.6666(2) 0.0230(9) Uani 1 1 d . . .
H9A H 0.3095 0.6861 0.6367 0.028 Uiso 1 1 calc R . .
C10 C 0.2712(5) 0.6499(4) 0.7575(2) 0.0327(10) Uani 1 1 d . . .
H10A H 0.1874 0.6979 0.7594 0.049 Uiso 1 1 calc R . .
H10B H 0.3642 0.6974 0.7818 0.049 Uiso 1 1 calc R . .
H10C H 0.2462 0.5794 0.7894 0.049 Uiso 1 1 calc R . .
C11 C 0.1491(5) 0.5378(4) 0.6261(3) 0.0354(11) Uani 1 1 d . . .
H11A H 0.0726 0.5909 0.6169 0.053 Uiso 1 1 calc R . .
H11B H 0.1099 0.4765 0.6634 0.053 Uiso 1 1 calc R . .
H11C H 0.1721 0.4997 0.5725 0.053 Uiso 1 1 calc R . .
O12 O 0.6050(4) 0.3733(3) 0.52562(19) 0.0241(7) Uani 0.50 1 d P . .
C12 C 0.6050(4) 0.3733(3) 0.52562(19) 0.0241(7) Uani 0.50 1 d P . . 
C13 C 0.6791(4) 0.2785(3) 0.5433(2) 0.0203(8) Uani 1 1 d . . . 
C14 C 0.8374(5) 0.2903(4) 0.5513(2) 0.0281(9) Uani 1 1 d . . . 
H14A H 0.8957 0.3657 0.5458 0.034 Uiso 1 1 calc R . . 
C15 C 0.9103(6) 0.1922(5) 0.5673(3) 0.0413(12) Uani 1 1 d . . . 
H15A H 1.0182 0.2006 0.5716 0.050 Uiso 1 1 calc R . .
C16 C 0.8260(6) 0.0824(4) 0.5768(3) 0.0437(13) Uani 1 1 d . . . 
H16A H 0.8757 0.0153 0.5875 0.052 Uiso 1 1 calc R . . 
C17 C 0.6702(6) 0.0710(4) 0.5707(2) 0.0328(10) Uani 1 1 d . . . 
H17A H 0.6123 -0.0039 0.5784 0.039 Uiso 1 1 calc R . . 
C18 C 0.5970(5) 0.1663(3) 0.5537(2) 0.0267(9) Uani 1 1 d . . . 
H18A H 0.4891 0.1563 0.5488 0.032 Uiso 1 1 calc R . . 
Ru19 Ru 0.0000 0.0000 0.0000 0.01816(11) Uani 1 2 d S . . 
P20 P -0.06553(11) 0.18816(8) -0.03436(6) 0.0164(2) Uani 1 1 d . . . 
C21 C 0.0862(5) 0.3112(3) -0.0010(3) 0.0247(9) Uani 1 1 d . . . 
H21A H 0.0546 0.3870 -0.0198 0.030 Uiso 1 1 calc R . . 
C22 C 0.2338(5) 0.2920(4) -0.0428(3) 0.0383(11) Uani 1 1 d . . . 
H22A H 0.3105 0.3615 -0.0295 0.058 Uiso 1 1 calc R . . 
H22B H 0.2148 0.2812 -0.1035 0.058 Uiso 1 1 calc R . . 
H22C H 0.2706 0.2209 -0.0222 0.058 Uiso 1 1 calc R . . 
C23 C 0.1104(5) 0.3235(4) 0.0942(3) 0.0352(11) Uani 1 1 d . . .
H23A H 0.1971 0.3847 0.1097 0.053 Uiso 1 1 calc R . .
H23B H 0.1307 0.2472 0.1146 0.053 Uiso 1 1 calc R . . 
H23C H 0.0188 0.3465 0.1194 0.053 Uiso 1 1 calc R . .
C24 C -0.2323(4) 0.2296(3) 0.0205(2) 0.0183(8) Uani 1 1 d . . . 
H24A H -0.2048 0.2272 0.0813 0.022 Uiso 1 1 calc R . . 
C25 C -0.2721(5) 0.3553(3) 0.0106(3) 0.0274(9) Uani 1 1 d . . . 
H25A H -0.3538 0.3699 0.0478 0.041 Uiso 1 1 calc R . . 
H25B H -0.3058 0.3627 -0.0474 0.041 Uiso 1 1 calc R . . 
H25C H -0.1822 0.4138 0.0252 0.041 Uiso 1 1 calc R . . 
C26 C -0.3749(5) 0.1382(4) 0.0046(3) 0.0318(10) Uani 1 1 d . . . 
H26A H -0.4497 0.1530 0.0460 0.048 Uiso 1 1 calc R . . 
H26B H -0.3479 0.0578 0.0091 0.048 Uiso 1 1 calc R . . 
H26C H -0.4184 0.1451 -0.0516 0.048 Uiso 1 1 calc R . . 
C27 C -0.0911(5) 0.2030(4) -0.1487(2) 0.0289(10) Uani 1 1 d . . . 
H27A H -0.0022 0.1708 -0.1737 0.035 Uiso 1 1 calc R . . 
C28 C -0.2295(6) 0.1204(5) -0.1851(3) 0.0459(13) Uani 1 1 d . . . 
H28A H -0.2213 0.1080 -0.2457 0.069 Uiso 1 1 calc R . . 
H28B H -0.3217 0.1562 -0.1736 0.069 Uiso 1 1 calc R . . 
H28C H -0.2349 0.0437 -0.1596 0.069 Uiso 1 1 calc R . .
C29 C -0.0852(6) 0.3302(4) -0.1800(3) 0.0421(13) Uani 1 1 d . . . 
H29A H -0.0894 0.3257 -0.2412 0.063 Uiso 1 1 calc R . . 
H29B H 0.0095 0.3787 -0.1590 0.063 Uiso 1 1 calc R . . 
H29C H -0.1721 0.3665 -0.1595 0.063 Uiso 1 1 calc R . .
O30 O 0.0858(4) -0.0173(3) -0.10356(19) 0.0244(7) Uani 0.50 1 d P . .
C30 C 0.0858(4) -0.0173(3) -0.10356(19) 0.0244(7) Uani 0.50 1 d P . . 
C31 C 0.1436(4) -0.0319(3) -0.1816(2) 0.0174(8) Uani 1 1 d . . . 
C32 C 0.2972(5) 0.0047(3) -0.1944(3) 0.0270(9) Uani 1 1 d . . . 
H32A H 0.3624 0.0397 -0.1488 0.032 Uiso 1 1 calc R . . 
C33 C 0.3553(6) -0.0093(4) -0.2727(3) 0.0343(11) Uani 1 1 d . . . 
H33A H 0.4597 0.0168 -0.2806 0.041 Uiso 1 1 calc R . .
C34 C 0.2627(6) -0.0610(4) -0.3397(3) 0.0361(11) Uani 1 1 d . . . 
H34A H 0.3031 -0.0706 -0.3934 0.043 Uiso 1 1 calc R . . 
C35 C 0.1095(6) -0.0992(4) -0.3278(3) 0.0339(11) Uani 1 1 d . . . 
H35A H 0.0454 -0.1356 -0.3733 0.041 Uiso 1 1 calc R . . 
C36 C 0.0503(5) -0.0838(3) -0.2490(2) 0.0264(9) Uani 1 1 d . . . 
H36A H -0.0544 -0.1089 -0.2414 0.032 Uiso 1 1 calc R . . 
  
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 0.0162(2) 0.0208(2) 0.0142(2) -0.00040(18) 0.00335(18) 0.00041(19)
P2 0.0154(5) 0.0169(5) 0.0154(5) 0.0014(4) 0.0030(4) 0.0035(4)
C3 0.020(2) 0.0213(19) 0.0197(19) -0.0010(15) -0.0034(15) 0.0011(16)
C4 0.030(2) 0.019(2) 0.045(3) 0.0045(19) -0.003(2) -0.0006(18)
C5 0.018(2) 0.034(2) 0.030(2) -0.0011(18) -0.0037(17) 0.0041(17)
C6 0.030(2) 0.0187(19) 0.025(2) 0.0076(16) 0.0093(17) 0.0062(16)
C7 0.042(3) 0.035(2) 0.026(2) 0.0155(19) 0.0067(19) 0.012(2)
C8 0.052(3) 0.018(2) 0.039(3) 0.0049(17) 0.005(2) -0.007(2)
C9 0.021(2) 0.024(2) 0.025(2) 0.0039(16) 0.0048(17) 0.0048(17)
C10 0.032(2) 0.043(3) 0.029(2) 0.004(2) 0.0092(19) 0.021(2)
C11 0.019(2) 0.054(3) 0.035(3) 0.008(2) 0.0057(19) 0.005(2) 
O12 0.034(2) 0.0255(18) 0.0159(16) 0.0038(13) 0.0053(14) 0.0115(15) 
C12 0.034(2) 0.0255(18) 0.0159(16) 0.0038(13) 0.0053(14) 0.0115(15) 
C13 0.028(2) 0.0220(19) 0.0123(18) 0.0021(14) -0.0003(15) 0.0100(17) 
C14 0.028(2) 0.030(2) 0.027(2) -0.0002(17) -0.0038(18) 0.0081(18) 
C15 0.034(3) 0.063(3) 0.031(3) 0.001(2) -0.007(2) 0.026(2) 
C16 0.073(4) 0.045(3) 0.023(2) 0.009(2) 0.003(2) 0.043(3) 
C17 0.054(3) 0.027(2) 0.021(2) 0.0061(17) 0.005(2) 0.016(2) 
C18 0.041(3) 0.025(2) 0.016(2) 0.0038(16) 0.0056(18) 0.0090(19)
Ru19 0.0190(2) 0.0125(2) 0.0227(3) 0.00157(18) -0.0031(2) 0.0020(2) 
P20 0.0199(5) 0.0134(5) 0.0165(5) 0.0032(4) 0.0008(4) 0.0032(4) 
C21 0.024(2) 0.0150(19) 0.034(2) 0.0050(16) 0.0024(18) -0.0020(16) 
C22 0.027(2) 0.033(3) 0.056(3) 0.009(2) 0.010(2) 0.002(2)
C23 0.030(2) 0.032(2) 0.038(3) -0.006(2) -0.008(2) -0.0082(19)
C24 0.0198(19) 0.0220(19) 0.0140(18) 0.0045(15) 0.0039(15) 0.0039(15) 
C25 0.031(2) 0.025(2) 0.029(2) 0.0037(17) 0.0082(18) 0.0094(18) 
C26 0.027(2) 0.032(2) 0.036(2) 0.0043(19) 0.0015(19) 0.0000(19) 
C27 0.037(3) 0.038(2) 0.0160(19) 0.0019(17) 0.0042(17) 0.021(2) 
C28 0.041(3) 0.072(4) 0.025(2) -0.009(2) -0.012(2) 0.018(3) 
C29 0.063(4) 0.048(3) 0.023(2) 0.018(2) 0.013(2) 0.028(3)
O30 0.036(2) 0.0200(16) 0.0205(17) 0.0058(13) 0.0106(15) 0.0115(14) 
C30 0.036(2) 0.0200(16) 0.0205(17) 0.0058(13) 0.0106(15) 0.0115(14) 
C31 0.025(2) 0.0152(17) 0.0148(18) 0.0036(14) 0.0071(15) 0.0108(15) 
C32 0.031(2) 0.020(2) 0.029(2) 0.0012(17) 0.0042(18) 0.0017(17) 
C33 0.045(3) 0.027(2) 0.034(3) 0.0078(19) 0.022(2) 0.007(2) 
C34 0.060(3) 0.038(3) 0.018(2) 0.0090(18) 0.020(2) 0.028(2) 
C35 0.050(3) 0.038(3) 0.019(2) -0.0053(18) -0.004(2) 0.028(2) 
C36 0.031(2) 0.027(2) 0.024(2) 0.0006(17) 0.0016(17) 0.0133(18) 

_geom_special_details
;
 All esds are estimated using the full covariance matrix.  The cell esds 
are
 taken into account individually in the estimation of esds in distances 
and
 angles.
;

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 C12 1.873(3) 2_666 ?
Ru1 O12 1.873(3) 2_666 ?
Ru1 O12 1.873(3) . ?
Ru1 P2 2.3788(13) . ?
Ru1 P2 2.3788(13) 2_666 ?
P2 C6 1.850(4) . ?
P2 C9 1.854(4) . ?
P2 C3 1.857(4) . ?
C3 C5 1.536(5) . ?
C3 C4 1.542(5) . ?
C6 C8 1.519(6) . ?
C6 C7 1.540(5) . ?
C9 C10 1.530(5) . ?
C9 C11 1.547(6) . ?
O12 C13 1.373(5) . ?
C13 C14 1.395(5) . ?
C13 C18 1.402(5) . ?
C14 C15 1.394(6) . ? 
C15 C16 1.386(7) . ? 
C16 C17 1.372(7) . ? 
C17 C18 1.370(6) . ? 
Ru19 C30 1.863(3) 2 ? 
Ru19 O30 1.863(3) 2 ?
Ru19 O30 1.863(3) . ? 
Ru19 P20 2.3775(12) . ? 
Ru19 P20 2.3775(12) 2 ? 
P20 C21 1.848(4) . ? 
P20 C24 1.849(4) . ? 
P20 C27 1.861(4) . ? 
C21 C22 1.528(6) . ? 
C21 C23 1.530(6) . ? 
C24 C26 1.531(5) . ? 
C24 C25 1.531(5) . ? 
C27 C28 1.520(6) . ? 
C27 C29 1.550(6) . ? 
O30 C31 1.379(4) . ?
C31 C36 1.391(5) . ? 
C31 C32 1.398(5) . ?
C32 C33 1.384(5) . ?
C33 C34 1.382(7) . ?
C34 C35 1.396(7) . ?
C35 C36 1.396(5) . ?
C3 H3A 1.0000 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C14 H14A 0.9500 . ?
C15 H15A 0.9500 . ? 
C16 H16A 0.9500 . ? 
C17 H17A 0.9500 . ? 
C18 H18A 0.9500 . ?
C21 H21A 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ? 
C22 H22C 0.9800 . ? 
C23 H23A 0.9800 . ? 
C23 H23B 0.9800 . ? 
C23 H23C 0.9800 . ? 
C24 H24A 1.0000 . ? 
C25 H25A 0.9800 . ? 
C25 H25B 0.9800 . ? 
C25 H25C 0.9800 . ? 
C26 H26A 0.9800 . ? 
C26 H26B 0.9800 . ? 
C26 H26C 0.9800 . ? 
C27 H27A 1.0000 . ? 
C28 H28A 0.9800 . ? 
C28 H28B 0.9800 . ? 
C28 H28C 0.9800 . ? 
C29 H29A 0.9800 . ? 
C29 H29B 0.9800 . ? 
C29 H29C 0.9800 . ?
C32 H32A 0.9500 . ?
C33 H33A 0.9500 . ?
C34 H34A 0.9500 . ?
C35 H35A 0.9500 . ?
C36 H36A 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
C12 Ru1 O12 0.0(3) 2_666 2_666 ?
C12 Ru1 O12 180.00(18) 2_666 . ? 
O12 Ru1 O12 180.00(18) 2_666 . ? 
C12 Ru1 P2 90.64(9) 2_666 . ? 
O12 Ru1 P2 90.64(9) 2_666 . ? 
O12 Ru1 P2 89.36(9) . . ? 
C12 Ru1 P2 89.36(9) 2_666 2_666 ? 
O12 Ru1 P2 89.36(9) 2_666 2_666 ? 
O12 Ru1 P2 90.64(9) . 2_666 ? 
P2 Ru1 P2 180.000(11) . 2_666 ?
C6 P2 C9 110.51(18) . . ? 
C6 P2 C3 103.46(18) . . ? 
C9 P2 C3 103.24(18) . . ? 
C6 P2 Ru1 113.39(13) . . ? 
C9 P2 Ru1 113.22(13) . . ? 
C3 P2 Ru1 112.13(13) . . ? 
C5 C3 C4 109.6(3) . . ? 
C5 C3 P2 109.6(3) . . ? 
C4 C3 P2 110.4(3) . . ? 
C8 C6 C7 110.1(3) . . ? 
C8 C6 P2 111.6(3) . . ? 
C7 C6 P2 117.3(3) . . ? 
C10 C9 C11 110.5(3) . . ? 
C10 C9 P2 117.6(3) . . ? 
C11 C9 P2 112.2(3) . . ? 
C13 O12 Ru1 178.6(3) . . ?
O12 C13 C14 121.4(4) . . ? 
O12 C13 C18 120.6(4) . . ? 
C14 C13 C18 118.1(4) . . ? 
C15 C14 C13 120.4(4) . . ? 
C16 C15 C14 120.2(5) . . ? 
C17 C16 C15 119.5(4) . . ? 
C18 C17 C16 120.9(4) . . ? 
C17 C18 C13 120.9(4) . . ? 
C30 Ru19 O30 0.00(19) 2 2 ?
C30 Ru19 O30 180.00(19) 2 . ?
O30 Ru19 O30 180.00(19) 2 . ? 
C30 Ru19 P20 90.02(10) 2 . ? 
O30 Ru19 P20 90.02(10) 2 . ? 
O30 Ru19 P20 89.98(10) . . ? 
C30 Ru19 P20 89.98(10) 2 2 ? 
O30 Ru19 P20 89.98(10) 2 2 ? 
O30 Ru19 P20 90.02(10) . 2 ? 
P20 Ru19 P20 180.00(5) . 2 ?
C21 P20 C24 103.15(18) . . ? 
C21 P20 C27 103.56(19) . . ? 
C24 P20 C27 110.36(18) . . ? 
C21 P20 Ru19 111.95(14) . . ? 
C24 P20 Ru19 113.27(12) . . ? 
C27 P20 Ru19 113.63(13) . . ? 
C22 C21 C23 110.8(4) . . ? 
C22 C21 P20 110.0(3) . . ? 
C23 C21 P20 111.4(3) . . ? 
C26 C24 C25 109.9(3) . . ? 
C26 C24 P20 113.4(3) . . ?
C25 C24 P20 117.2(3) . . ? 
C28 C27 C29 111.9(4) . . ? 
C28 C27 P20 111.0(3) . . ? 
C29 C27 P20 117.9(3) . . ? 
C31 O30 Ru19 177.7(3) . . ?
O30 C31 C36 120.6(4) . . ?
O30 C31 C32 120.6(4) . . ? 
C36 C31 C32 118.8(3) . . ? 
C33 C32 C31 120.7(4) . . ? 
C34 C33 C32 120.6(4) . . ? 
C33 C34 C35 119.4(4) . . ? 
C34 C35 C36 120.1(4) . . ?
C31 C36 C35 120.4(4) . . ? 
C5 C3 H3A 109.1 . . ? 
C4 C3 H3A 109.1 . . ? 
P2 C3 H3A 109.1 . . ? 
C3 C4 H4A 109.5 . . ? 
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ? 
H4B C4 H4C 109.5 . . ? 
C3 C5 H5A 109.5 . . ? 
C3 C5 H5B 109.5 . . ? 
H5A C5 H5B 109.5 . . ? 
C3 C5 H5C 109.5 . . ? 
H5A C5 H5C 109.5 . . ? 
H5B C5 H5C 109.5 . . ? 
C8 C6 H6A 105.6 . . ?
C7 C6 H6A 105.6 . . ? 
P2 C6 H6A 105.6 . . ? 
C6 C7 H7A 109.5 . . ? 
C6 C7 H7B 109.5 . . ? 
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ? 
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ? 
C6 C8 H8B 109.5 . . ? 
H8A C8 H8B 109.5 . . ? 
C6 C8 H8C 109.5 . . ? 
H8A C8 H8C 109.5 . . ? 
H8B C8 H8C 109.5 . . ? 
C10 C9 H9A 105.1 . . ? 
C11 C9 H9A 105.1 . . ?
P2 C9 H9A 105.1 . . ? 
C9 C10 H10A 109.5 . . ? 
C9 C10 H10B 109.5 . . ? 
H10A C10 H10B 109.5 . . ? 
C9 C10 H10C 109.5 . . ? 
H10A C10 H10C 109.5 . . ? 
H10B C10 H10C 109.5 . . ? 
C9 C11 H11A 109.5 . . ? 
C9 C11 H11B 109.5 . . ? 
H11A C11 H11B 109.5 . . ? 
C9 C11 H11C 109.5 . . ? 
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C15 C14 H14A 119.8 . . ? 
C13 C14 H14A 119.8 . . ? 
C16 C15 H15A 119.9 . . ? 
C14 C15 H15A 119.9 . . ? 
C17 C16 H16A 120.2 . . ? 
C15 C16 H16A 120.2 . . ?
C18 C17 H17A 119.6 . . ? 
C16 C17 H17A 119.6 . . ? 
C17 C18 H18A 119.5 . . ? 
C13 C18 H18A 119.5 . . ? 
C22 C21 H21A 108.2 . . ? 
C23 C21 H21A 108.2 . . ? 
P20 C21 H21A 108.2 . . ? 
C21 C22 H22A 109.5 . . ? 
C21 C22 H22B 109.5 . . ? 
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ? 
C21 C23 H23A 109.5 . . ? 
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ? 
C21 C23 H23C 109.5 . . ? 
H23A C23 H23C 109.5 . . ? 
H23B C23 H23C 109.5 . . ? 
C26 C24 H24A 105.0 . . ? 
C25 C24 H24A 105.0 . . ?
P20 C24 H24A 105.0 . . ? 
C24 C25 H25A 109.5 . . ? 
C24 C25 H25B 109.5 . . ? 
H25A C25 H25B 109.5 . . ? 
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ? 
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ? 
H26A C26 H26B 109.5 . . ? 
C24 C26 H26C 109.5 . . ? 
H26A C26 H26C 109.5 . . ? 
H26B C26 H26C 109.5 . . ? 
C28 C27 H27A 104.9 . . ? 
C29 C27 H27A 104.9 . . ? 
P20 C27 H27A 104.9 . . ? 
C27 C28 H28A 109.5 . . ? 
C27 C28 H28B 109.5 . . ? 
H28A C28 H28B 109.5 . . ? 
C27 C28 H28C 109.5 . . ? 
H28A C28 H28C 109.5 . . ? 
H28B C28 H28C 109.5 . . ? 
C27 C29 H29A 109.5 . . ? 
C27 C29 H29B 109.5 . . ? 
H29A C29 H29B 109.5 . . ? 
C27 C29 H29C 109.5 . . ? 
H29A C29 H29C 109.5 . . ? 
H29B C29 H29C 109.5 . . ?
C33 C32 H32A 119.6 . . ? 
C31 C32 H32A 119.6 . . ? 
C34 C33 H33A 119.7 . . ? 
C32 C33 H33A 119.7 . . ? 
C33 C34 H34A 120.3 . . ? 
C35 C34 H34A 120.3 . . ? 
C34 C35 H35A 119.9 . . ? 
C36 C35 H35A 119.9 . . ? 
C31 C36 H36A 119.8 . . ? 
C35 C36 H36A 119.8 . . ?