data_global
_audit_creation_method                  'APEX3 v2017.3-0'

_publ_requested_journal                 ?

_publ_contact_author_name               'Ralf Haiges'
_publ_contact_author_address            
;

University of Southern California
Loker Hydrocarbon Research Institute and Department of Chemistry
Los Angeles, CA 90089
USA
;
_publ_contact_author_email              haiges@usc.edu
_publ_contact_author_fax                ?
_publ_contact_author_phone              '+1 (213) 740-3197'

_publ_section_title                     
;
;
_publ_section_abstract                  
;
;
_publ_section_references                
;
;
_publ_section_comment                   
;
;

data_SK2_4_98
_chemical_name_systematic               ?
_chemical_name_common                   ?
_chemical_formula_moiety                ?
_chemical_formula_sum                   'C23 H53 N O8 P2 Ru'
_chemical_formula_iupac                 ?
_chemical_formula_weight                634.67

_chemical_melting_point                 ?

_space_group_crystal_system             orthorhombic
_space_group_name_H-M_alt               'P b c a'
_space_group_name_Hall                  '-P 2ac 2ab'
loop_
    _space_group_symop_operation_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                          12.463(7)
_cell_length_b                          15.073(8)
_cell_length_c                          32.221(17)
_cell_angle_alpha                       90
_cell_angle_beta                        90
_cell_angle_gamma                       90
_cell_volume                            6053.(5)
_cell_formula_units_Z                   8
_cell_measurement_reflns_used           8158
_cell_measurement_theta_min             2.4688
_cell_measurement_theta_max             29.7591
_cell_measurement_temperature           100.(2)

_exptl_crystal_description              plate
_exptl_crystal_colour                   'clear colourless'
_exptl_crystal_size_max                 0.311
_exptl_crystal_size_mid                 0.209
_exptl_crystal_size_min                 0.036
_exptl_crystal_density_diffrn           1.393
_exptl_crystal_density_meas             ?
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    2688

_exptl_absorpt_coefficient_mu           0.666
_exptl_absorpt_correction_type          multi-scan
_exptl_absorpt_process_details          'SADABS 2016/2 (Bruker AXS, 2016)'
_exptl_absorpt_correction_T_min         0.78
_exptl_absorpt_correction_T_max         0.98

_exptl_special_details                  
;
; 

_diffrn_ambient_temperature             100.(2)

_diffrn_source                          'fine-focus tube'
_diffrn_source_type                     ?

_diffrn_radiation_type                  'MoK\a '
_diffrn_radiation_wavelength            0.71073
_diffrn_radiation_monochromator         'TRIUMPH curved-crystal'

_diffrn_measurement_device_type         'Bruker APEX II CCD'
_diffrn_measurement_method              'omega- and phi-scans'

_diffrn_detector_area_resol_mean        8.3333

_diffrn_reflns_number                   31552
_diffrn_reflns_av_R_equivalents         0.0878
_diffrn_reflns_av_unetI/netI            0.0830
_diffrn_reflns_theta_min                1.26
_diffrn_reflns_theta_max                27.48
_diffrn_reflns_theta_full               27.48
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full    1.000
_diffrn_reflns_limit_h_min              -15
_diffrn_reflns_limit_h_max              16
_diffrn_reflns_limit_k_min              -19
_diffrn_reflns_limit_k_max              14
_diffrn_reflns_limit_l_min              -41
_diffrn_reflns_limit_l_max              27

_refine_special_details                 
;
;

_reflns_number_total                    6935
_reflns_number_gt                       4509
_reflns_threshold_expression            'I > 2σ(I)'

_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_R_factor_all                 0.1084
_refine_ls_R_factor_gt                  0.0621
_refine_ls_wR_factor_gt                 0.1214
_refine_ls_wR_factor_ref                0.1368
_refine_ls_goodness_of_fit_ref          1.019
_refine_ls_restrained_S_all             1.019
_refine_ls_number_reflns                6935
_refine_ls_number_parameters            352
_refine_ls_number_restraints            10
_refine_ls_number_constraints           ?
_refine_ls_hydrogen_treatment           mixed
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details            
    'w=1/[σ²(Fo²)+(0.0393P)²+31.4938P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens          mixed
_atom_sites_solution_primary            ?
_atom_sites_solution_secondary          ?

_refine_ls_shift/su_max                 0.002
_refine_ls_shift/su_mean                0.000
_refine_diff_density_max                1.537
_refine_diff_density_min                -1.895
_refine_ls_extinction_method            none
_refine_ls_extinction_coef              ?

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'
    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'

_computing_data_collection              
    'Bruker Instrument Service v2012.12.0.3 (Bruker AXS, 2012)'
_computing_cell_refinement              'APEX3 v2017.3-0 (Bruker AXS, 2017)'
_computing_data_reduction               'SAINT V8.38A (Bruker AXS, 2013)'
_computing_structure_solution           'SHELXTL XT 2014/5 (Bruker AXS, 2014)'
_computing_structure_refinement         'SHELXTL XL 2016/6 (Bruker AXS, 2016)'
_computing_molecular_graphics           'shelXle (C.B. Huebschle, rev 833)'
_computing_publication_material         'SHELXTL XL 2016/6 (Bruker AXS, 2016)'

loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags_adp
    _atom_site_refinement_flags_occupancy
    _atom_site_refinement_flags_posn
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C1 0.5049(4) 0.3275(3) 0.69790(16) 0.0200(11) Uani d . . . 1 . .
    C C2 0.3902(4) 0.4790(4) 0.67258(17) 0.0183(11) Uani d . . . 1 . .
    C C3 0.3689(4) 0.3563(3) 0.56128(16) 0.0184(11) Uani d . . . 1 . .
    H H3A 0.415782 0.32261 0.542133 0.022 Uiso calc U . R 1 . .
    H H3B 0.295016 0.354854 0.550023 0.022 Uiso calc U . R 1 . .
    C C4 0.4074(4) 0.4523(3) 0.56365(17) 0.0172(11) Uani d . . . 1 . .
    H H4A 0.419741 0.475643 0.535328 0.021 Uiso calc U . R 1 . .
    H H4B 0.352104 0.489482 0.577206 0.021 Uiso calc U . R 1 . .
    C C5 0.5570(4) 0.5468(3) 0.58885(16) 0.0157(11) Uani d . . . 1 . .
    H H5A 0.507588 0.588207 0.603162 0.019 Uiso calc U . R 1 . .
    H H5B 0.567854 0.56843 0.56014 0.019 Uiso calc U . R 1 . .
    C C6 0.6642(4) 0.5438(3) 0.61163(17) 0.0180(11) Uani d . . . 1 . .
    H H6A 0.689592 0.605054 0.616825 0.022 Uiso calc U . R 1 . .
    H H6B 0.718132 0.513535 0.594059 0.022 Uiso calc U . R 1 . .
    C C7 0.2270(4) 0.3048(3) 0.63281(17) 0.0185(11) Uani d . . . 1 . .
    C C8 0.2259(4) 0.2931(4) 0.68052(17) 0.0245(13) Uani d . . . 1 . .
    H H8A 0.151558 0.292982 0.690458 0.037 Uiso calc U . R 1 . .
    H H8B 0.265106 0.342134 0.693509 0.037 Uiso calc U . R 1 . .
    H H8C 0.260255 0.236736 0.687816 0.037 Uiso calc U . R 1 . .
    C C9 0.1523(4) 0.2342(4) 0.61336(19) 0.0281(13) Uani d . . . 1 . .
    H H9A 0.153854 0.239666 0.583065 0.042 Uiso calc U . R 1 . .
    H H9B 0.078847 0.243226 0.623344 0.042 Uiso calc U . R 1 . .
    H H9C 0.176934 0.174831 0.62137 0.042 Uiso calc U . R 1 . .
    C C10 0.1792(4) 0.3969(4) 0.6211(2) 0.0297(14) Uani d . . . 1 . .
    H H10A 0.171068 0.400769 0.590944 0.045 Uiso calc U . R 1 . .
    H H10B 0.227558 0.443877 0.630729 0.045 Uiso calc U . R 1 . .
    H H10C 0.108973 0.403904 0.634394 0.045 Uiso calc U . R 1 . .
    C C11 0.4136(4) 0.1842(3) 0.60210(16) 0.0191(11) Uani d . . . 1 . .
    C C12 0.3993(4) 0.1285(3) 0.64175(17) 0.0214(12) Uani d . . . 1 . .
    H H12A 0.322813 0.124192 0.648525 0.032 Uiso calc U . R 1 . .
    H H12B 0.437522 0.156949 0.664759 0.032 Uiso calc U . R 1 . .
    H H12C 0.428474 0.068904 0.637223 0.032 Uiso calc U . R 1 . .
    C C13 0.3537(5) 0.1421(4) 0.56517(18) 0.0276(13) Uani d . . . 1 . .
    H H13A 0.365468 0.177993 0.540226 0.041 Uiso calc U . R 1 . .
    H H13B 0.276771 0.13955 0.571314 0.041 Uiso calc U . R 1 . .
    H H13C 0.380878 0.081879 0.56047 0.041 Uiso calc U . R 1 . .
    C C14 0.5351(4) 0.1832(4) 0.59044(18) 0.0237(12) Uani d . . . 1 . .
    H H14A 0.553638 0.125613 0.57825 0.035 Uiso calc U . R 1 . .
    H H14B 0.578285 0.192933 0.615455 0.035 Uiso calc U . R 1 . .
    H H14C 0.549797 0.230372 0.570303 0.035 Uiso calc U . R 1 . .
    C C15 0.6388(4) 0.5733(4) 0.70375(17) 0.0214(12) Uani d . . . 1 . .
    C C16 0.5598(5) 0.6443(4) 0.68734(18) 0.0265(13) Uani d . . . 1 . .
    H H16A 0.589171 0.67142 0.662137 0.04 Uiso calc U . R 1 . .
    H H16B 0.549408 0.690149 0.708544 0.04 Uiso calc U . R 1 . .
    H H16C 0.490722 0.616388 0.680956 0.04 Uiso calc U . R 1 . .
    C C17 0.5928(5) 0.5304(4) 0.74364(17) 0.0283(14) Uani d . . . 1 . .
    H H17A 0.523448 0.502741 0.737368 0.042 Uiso calc U . R 1 . .
    H H17B 0.58294 0.576119 0.764919 0.042 Uiso calc U . R 1 . .
    H H17C 0.642702 0.48517 0.753852 0.042 Uiso calc U . R 1 . .
    C C18 0.7443(5) 0.6229(3) 0.71481(19) 0.0263(13) Uani d . . . 1 . .
    H H18A 0.776987 0.646221 0.689399 0.039 Uiso calc U . R 1 . .
    H H18B 0.794141 0.581699 0.728281 0.039 Uiso calc U . R 1 . .
    H H18C 0.728144 0.672033 0.733718 0.039 Uiso calc U . R 1 . .
    C C19 0.7846(4) 0.4243(4) 0.66723(18) 0.0205(12) Uani d . . . 1 . .
    C C20 0.7952(4) 0.3850(4) 0.71136(17) 0.0243(12) Uani d . . . 1 . .
    H H20A 0.731196 0.349808 0.717822 0.037 Uiso calc U . R 1 . .
    H H20B 0.802202 0.433272 0.73154 0.037 Uiso calc U . R 1 . .
    H H20C 0.858872 0.346936 0.712691 0.037 Uiso calc U . R 1 . .
    C C21 0.8809(4) 0.4841(4) 0.6571(2) 0.0315(15) Uani d . . . 1 . .
    H H21A 0.877433 0.502222 0.627952 0.047 Uiso calc U . R 1 . .
    H H21B 0.947609 0.451373 0.662074 0.047 Uiso calc U . R 1 . .
    H H21C 0.87895 0.536799 0.674908 0.047 Uiso calc U . R 1 . .
    C C22 0.7893(5) 0.3457(4) 0.63556(18) 0.0257(13) Uani d . . . 1 . .
    H H22A 0.775445 0.368169 0.607522 0.039 Uiso calc U . R 1 . .
    H H22B 0.734827 0.301467 0.642827 0.039 Uiso calc U . R 1 . .
    H H22C 0.860552 0.318274 0.636479 0.039 Uiso calc U . R 1 . .
    N N1 0.5094(3) 0.4560(3) 0.58801(12) 0.0131(8) Uani d . . . 1 . .
    H H1N 0.561708 0.418396 0.57238 0.016 Uiso calc U . R 1 . .
    O O1 0.5143(3) 0.2832(3) 0.72722(12) 0.0287(9) Uani d . . . 1 . .
    O O2 0.3282(3) 0.5221(3) 0.68987(12) 0.0275(9) Uani d . . . 1 . .
    P P1 0.37070(10) 0.30299(8) 0.61308(4) 0.0133(3) Uani d . . . 1 . .
    P P2 0.65128(10) 0.48399(9) 0.66182(4) 0.0133(3) Uani d . . . 1 . .
    Ru Ru1 0.49599(3) 0.39548(3) 0.64927(2) 0.01415(11) Uani d . . . 1 . .
    H H1 0.544(4) 0.360(4) 0.6367(17) 0.017 Uiso d U . . 1 . .
    C C23 0.6513(4) 0.0333(3) 0.51101(16) 0.0195(11) Uani d . . . 1 . .
    O O3 0.7486(3) 0.0475(3) 0.51738(12) 0.0271(9) Uani d . . . 1 . .
    O O4 0.5889(3) 0.0791(2) 0.48800(12) 0.0254(9) Uani d . . . 1 . .
    O O5 0.6101(3) -0.0374(3) 0.53199(13) 0.0262(9) Uani d . . D 1 . .
    H H2 0.535(2) -0.057(4) 0.5321(18) 0.031 Uiso d U . D 1 . .
    O O6 0.6581(3) 0.3739(2) 0.52775(13) 0.0239(9) Uani d . . D 1 . .
    H H1W 0.700(3) 0.423(2) 0.5211(17) 0.029 Uiso d U . D 1 . .
    H H2W 0.703(3) 0.326(2) 0.5331(18) 0.029 Uiso d U . D 1 . .
    O O7 0.5221(3) 0.2587(3) 0.47991(14) 0.0317(10) Uani d . . D 1 . .
    H H3W 0.572(4) 0.298(3) 0.4916(18) 0.038 Uiso d U . D 1 . .
    H H4W 0.552(4) 0.2018(17) 0.4820(19) 0.038 Uiso d U . D 1 . .
    O O8 0.7973(3) 0.2279(3) 0.54083(14) 0.0328(10) Uani d . . D 1 . .
    H H5W 0.774(4) 0.175(2) 0.5299(19) 0.039 Uiso d U . D 1 . .
    H H6W 0.8727(16) 0.231(4) 0.5412(19) 0.039 Uiso d U . D 1 . .

loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    C1 0.017(2) 0.019(3) 0.024(3) -0.004(2) -0.002(2) -0.001(2)
    C2 0.016(2) 0.016(3) 0.023(3) 0.000(2) 0.002(2) 0.000(2)
    C3 0.023(3) 0.015(3) 0.017(3) 0.001(2) -0.006(2) 0.000(2)
    C4 0.022(3) 0.008(3) 0.021(3) -0.0014(19) -0.003(2) 0.004(2)
    C5 0.019(3) 0.009(3) 0.019(3) 0.0010(19) -0.001(2) 0.002(2)
    C6 0.020(3) 0.008(3) 0.026(3) 0.0001(19) -0.001(2) 0.002(2)
    C7 0.016(3) 0.011(3) 0.028(3) 0.004(2) 0.003(2) 0.004(2)
    C8 0.022(3) 0.024(3) 0.027(3) 0.000(2) 0.005(2) -0.005(2)
    C9 0.017(3) 0.027(3) 0.040(4) -0.004(2) -0.002(3) 0.001(3)
    C10 0.019(3) 0.026(3) 0.044(4) 0.001(2) -0.003(2) -0.003(3)
    C11 0.031(3) 0.008(3) 0.019(3) 0.003(2) 0.000(2) 0.003(2)
    C12 0.026(3) 0.009(3) 0.030(3) 0.000(2) -0.001(2) 0.005(2)
    C13 0.040(3) 0.015(3) 0.028(3) -0.003(3) -0.004(3) -0.005(2)
    C14 0.032(3) 0.011(3) 0.029(3) 0.004(2) 0.005(2) 0.002(2)
    C15 0.030(3) 0.012(3) 0.022(3) -0.002(2) -0.006(2) -0.005(2)
    C16 0.036(3) 0.017(3) 0.026(3) 0.005(2) -0.002(3) -0.002(2)
    C17 0.033(3) 0.031(4) 0.021(3) 0.000(3) 0.000(2) -0.005(3)
    C18 0.035(3) 0.011(3) 0.033(3) -0.005(2) -0.011(3) -0.001(2)
    C19 0.015(2) 0.020(3) 0.027(3) 0.000(2) -0.004(2) 0.005(2)
    C20 0.023(3) 0.018(3) 0.032(3) 0.000(2) -0.007(2) 0.006(2)
    C21 0.017(3) 0.026(3) 0.051(4) -0.001(2) 0.001(3) 0.002(3)
    C22 0.023(3) 0.020(3) 0.033(3) 0.006(2) 0.002(2) -0.001(3)
    N1 0.016(2) 0.0072(19) 0.016(2) 0.0002(16) -0.0008(18) 0.0025(15)
    O1 0.038(2) 0.023(2) 0.025(2) -0.0034(18) -0.0048(19) 0.0106(17)
    O2 0.026(2) 0.026(2) 0.030(2) -0.0006(18) 0.0052(17) -0.0058(19)
    P1 0.0155(6) 0.0072(6) 0.0173(7) -0.0009(5) -0.0017(5) 0.0003(5)
    P2 0.0154(6) 0.0080(6) 0.0166(7) -0.0007(5) -0.0006(5) 0.0014(5)
    Ru1 0.01668(19) 0.01044(19) 0.01534(19) -0.00299(17) -0.00049(18)
     0.00176(17)
    C23 0.027(3) 0.014(3) 0.018(3) 0.002(2) 0.003(2) -0.005(2)
    O3 0.025(2) 0.025(2) 0.031(2) -0.0009(16) -0.0038(18) 0.0022(18)
    O4 0.026(2) 0.019(2) 0.031(2) 0.0004(16) -0.0019(17) 0.0023(17)
    O5 0.026(2) 0.019(2) 0.033(2) -0.0029(16) -0.0014(18) 0.0062(18)
    O6 0.025(2) 0.011(2) 0.036(2) -0.0022(15) 0.0115(18) -0.0015(17)
    O7 0.039(3) 0.018(2) 0.039(3) 0.0013(18) 0.0011(19) -0.0037(19)
    O8 0.030(2) 0.025(2) 0.043(3) 0.0025(18) 0.004(2) -0.002(2)

_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_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C1 O1 . 1.164(6) ?
    C1 Ru1 . 1.875(5) ?
    C2 O2 . 1.154(6) ?
    C2 Ru1 . 1.971(5) ?
    C3 C4 . 1.526(7) ?
    C3 P1 . 1.852(5) ?
    C3 H3A . 0.99 ?
    C3 H3B . 0.99 ?
    C4 N1 . 1.494(6) ?
    C4 H4A . 0.99 ?
    C4 H4B . 0.99 ?
    C5 N1 . 1.493(6) ?
    C5 C6 . 1.526(7) ?
    C5 H5A . 0.99 ?
    C5 H5B . 0.99 ?
    C6 P2 . 1.859(5) ?
    C6 H6A . 0.99 ?
    C6 H6B . 0.99 ?
    C7 C9 . 1.547(7) ?
    C7 C8 . 1.548(8) ?
    C7 C10 . 1.556(8) ?
    C7 P1 . 1.900(5) ?
    C8 H8A . 0.98 ?
    C8 H8B . 0.98 ?
    C8 H8C . 0.98 ?
    C9 H9A . 0.98 ?
    C9 H9B . 0.98 ?
    C9 H9C . 0.98 ?
    C10 H10A . 0.98 ?
    C10 H10B . 0.98 ?
    C10 H10C . 0.98 ?
    C11 C12 . 1.539(7) ?
    C11 C13 . 1.541(7) ?
    C11 C14 . 1.561(8) ?
    C11 P1 . 1.902(5) ?
    C12 H12A . 0.98 ?
    C12 H12B . 0.98 ?
    C12 H12C . 0.98 ?
    C13 H13A . 0.98 ?
    C13 H13B . 0.98 ?
    C13 H13C . 0.98 ?
    C14 H14A . 0.98 ?
    C14 H14B . 0.98 ?
    C14 H14C . 0.98 ?
    C15 C16 . 1.548(8) ?
    C15 C17 . 1.549(8) ?
    C15 C18 . 1.553(7) ?
    C15 P2 . 1.913(6) ?
    C16 H16A . 0.98 ?
    C16 H16B . 0.98 ?
    C16 H16C . 0.98 ?
    C17 H17A . 0.98 ?
    C17 H17B . 0.98 ?
    C17 H17C . 0.98 ?
    C18 H18A . 0.98 ?
    C18 H18B . 0.98 ?
    C18 H18C . 0.98 ?
    C19 C21 . 1.535(7) ?
    C19 C20 . 1.546(8) ?
    C19 C22 . 1.564(8) ?
    C19 P2 . 1.898(5) ?
    C20 H20A . 0.98 ?
    C20 H20B . 0.98 ?
    C20 H20C . 0.98 ?
    C21 H21A . 0.98 ?
    C21 H21B . 0.98 ?
    C21 H21C . 0.98 ?
    C22 H22A . 0.98 ?
    C22 H22B . 0.98 ?
    C22 H22C . 0.98 ?
    N1 Ru1 . 2.180(4) ?
    N1 H1N . 1.0 ?
    P1 Ru1 . 2.3962(15) ?
    P2 Ru1 . 2.3851(16) ?
    Ru1 H1 . 0.89(6) ?
    C23 O3 . 1.248(6) ?
    C23 O4 . 1.277(6) ?
    C23 O5 . 1.363(6) ?
    O5 H2 . 0.97(2) ?
    O6 H1W . 0.923(19) ?
    O6 H2W . 0.926(19) ?
    O7 H3W . 0.943(19) ?
    O7 H4W . 0.938(19) ?
    O8 H5W . 0.921(19) ?
    O8 H6W . 0.941(19) ?

loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1 C1 Ru1 . . 176.8(5) ?
    O2 C2 Ru1 . . 172.8(5) ?
    C4 C3 P1 . . 111.2(4) ?
    C4 C3 H3A . . 109.4 ?
    P1 C3 H3A . . 109.4 ?
    C4 C3 H3B . . 109.4 ?
    P1 C3 H3B . . 109.4 ?
    H3A C3 H3B . . 108.0 ?
    N1 C4 C3 . . 109.2(4) ?
    N1 C4 H4A . . 109.8 ?
    C3 C4 H4A . . 109.8 ?
    N1 C4 H4B . . 109.8 ?
    C3 C4 H4B . . 109.8 ?
    H4A C4 H4B . . 108.3 ?
    N1 C5 C6 . . 109.2(4) ?
    N1 C5 H5A . . 109.8 ?
    C6 C5 H5A . . 109.8 ?
    N1 C5 H5B . . 109.8 ?
    C6 C5 H5B . . 109.8 ?
    H5A C5 H5B . . 108.3 ?
    C5 C6 P2 . . 110.9(3) ?
    C5 C6 H6A . . 109.5 ?
    P2 C6 H6A . . 109.5 ?
    C5 C6 H6B . . 109.5 ?
    P2 C6 H6B . . 109.5 ?
    H6A C6 H6B . . 108.0 ?
    C9 C7 C8 . . 108.5(4) ?
    C9 C7 C10 . . 106.6(4) ?
    C8 C7 C10 . . 109.8(5) ?
    C9 C7 P1 . . 114.9(4) ?
    C8 C7 P1 . . 109.8(4) ?
    C10 C7 P1 . . 107.0(4) ?
    C7 C8 H8A . . 109.5 ?
    C7 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    C7 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    C7 C9 H9A . . 109.5 ?
    C7 C9 H9B . . 109.5 ?
    H9A C9 H9B . . 109.5 ?
    C7 C9 H9C . . 109.5 ?
    H9A C9 H9C . . 109.5 ?
    H9B C9 H9C . . 109.5 ?
    C7 C10 H10A . . 109.5 ?
    C7 C10 H10B . . 109.5 ?
    H10A C10 H10B . . 109.5 ?
    C7 C10 H10C . . 109.5 ?
    H10A C10 H10C . . 109.5 ?
    H10B C10 H10C . . 109.5 ?
    C12 C11 C13 . . 111.1(4) ?
    C12 C11 C14 . . 107.9(4) ?
    C13 C11 C14 . . 106.3(4) ?
    C12 C11 P1 . . 109.1(4) ?
    C13 C11 P1 . . 113.3(4) ?
    C14 C11 P1 . . 109.0(4) ?
    C11 C12 H12A . . 109.5 ?
    C11 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    C11 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    C11 C13 H13A . . 109.5 ?
    C11 C13 H13B . . 109.5 ?
    H13A C13 H13B . . 109.5 ?
    C11 C13 H13C . . 109.5 ?
    H13A C13 H13C . . 109.5 ?
    H13B C13 H13C . . 109.5 ?
    C11 C14 H14A . . 109.5 ?
    C11 C14 H14B . . 109.5 ?
    H14A C14 H14B . . 109.5 ?
    C11 C14 H14C . . 109.5 ?
    H14A C14 H14C . . 109.5 ?
    H14B C14 H14C . . 109.5 ?
    C16 C15 C17 . . 109.6(5) ?
    C16 C15 C18 . . 106.5(4) ?
    C17 C15 C18 . . 108.9(5) ?
    C16 C15 P2 . . 107.3(4) ?
    C17 C15 P2 . . 108.8(4) ?
    C18 C15 P2 . . 115.6(4) ?
    C15 C16 H16A . . 109.5 ?
    C15 C16 H16B . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    C15 C16 H16C . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
    C15 C17 H17A . . 109.5 ?
    C15 C17 H17B . . 109.5 ?
    H17A C17 H17B . . 109.5 ?
    C15 C17 H17C . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    C15 C18 H18A . . 109.5 ?
    C15 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    C15 C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
    C21 C19 C20 . . 110.7(5) ?
    C21 C19 C22 . . 106.1(5) ?
    C20 C19 C22 . . 107.9(5) ?
    C21 C19 P2 . . 112.7(4) ?
    C20 C19 P2 . . 109.9(4) ?
    C22 C19 P2 . . 109.4(4) ?
    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 ?
    C19 C22 H22A . . 109.5 ?
    C19 C22 H22B . . 109.5 ?
    H22A C22 H22B . . 109.5 ?
    C19 C22 H22C . . 109.5 ?
    H22A C22 H22C . . 109.5 ?
    H22B C22 H22C . . 109.5 ?
    C5 N1 C4 . . 112.4(4) ?
    C5 N1 Ru1 . . 113.4(3) ?
    C4 N1 Ru1 . . 113.3(3) ?
    C5 N1 H1N . . 105.6 ?
    C4 N1 H1N . . 105.6 ?
    Ru1 N1 H1N . . 105.6 ?
    C3 P1 C7 . . 106.5(2) ?
    C3 P1 C11 . . 104.1(2) ?
    C7 P1 C11 . . 109.9(2) ?
    C3 P1 Ru1 . . 101.18(17) ?
    C7 P1 Ru1 . . 116.28(18) ?
    C11 P1 Ru1 . . 117.09(18) ?
    C6 P2 C19 . . 103.5(2) ?
    C6 P2 C15 . . 106.3(2) ?
    C19 P2 C15 . . 109.9(2) ?
    C6 P2 Ru1 . . 101.20(17) ?
    C19 P2 Ru1 . . 117.43(18) ?
    C15 P2 Ru1 . . 116.58(18) ?
    C1 Ru1 C2 . . 94.0(2) ?
    C1 Ru1 N1 . . 168.6(2) ?
    C2 Ru1 N1 . . 97.42(19) ?
    C1 Ru1 P2 . . 96.64(16) ?
    C2 Ru1 P2 . . 96.95(16) ?
    N1 Ru1 P2 . . 81.82(11) ?
    C1 Ru1 P1 . . 97.33(16) ?
    C2 Ru1 P1 . . 96.95(16) ?
    N1 Ru1 P1 . . 81.51(11) ?
    P2 Ru1 P1 . . 159.51(5) ?
    C1 Ru1 H1 . . 91.(3) ?
    C2 Ru1 H1 . . 175.(3) ?
    N1 Ru1 H1 . . 78.(3) ?
    P2 Ru1 H1 . . 82.(3) ?
    P1 Ru1 H1 . . 82.(3) ?
    O3 C23 O4 . . 126.4(5) ?
    O3 C23 O5 . . 114.8(5) ?
    O4 C23 O5 . . 118.8(5) ?
    C23 O5 H2 . . 126.(4) ?
    H1W O6 H2W . . 108.(3) ?
    H3W O7 H4W . . 107.(3) ?
    H5W O8 H6W . . 111.(3) ?



