data_global
_audit_creation_method                  'APEX3 v2018.1-0'

_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                   
;
;

# start Validation Reply Form
_vrf_PLAT975_Sayan052518
;
PROBLEM: Check Calcd Resid. Dens.  0.70A   From O3B             2.37 eA-3  
RESPONSE: The structure contains a severely disordered bicarbonate anion
that was refined over different positions. There is still electron density
around the four partial occupied anion positons which couldn't be 
assigned any further.
;
_vrf_PLAT094_Sayan052518
;
PROBLEM: Ratio of Maximum / Minimum Residual Density ....       5.82 Report
RESPONSE: The structure contains a severely disordered bicarbonate anion
that was refined over different positions. There is still electron density
around the four partial occupied anion positons which couldn't be 
assigned any further.
;
_vrf_PLAT411_Sayan052518
;
PROBLEM: Short Inter H...H Contact  H4B      ..H1OA     .       1.95 Ang.  
RESPONSE: The structure contains a severely disordered bicarbonate anion
that was refined over different positions. The corresponding hydrogen 
atom is very difficult to locate as it is spread over four positions.
;
_vrf_PLAT971_Sayan052518
;
PROBLEM: Check Calcd Resid. Dens.  0.09A   From O5A             3.18 eA-3  
RESPONSE: The structure contains a severely disordered bicarbonate anion
that was refined over different positions. There is still electron density
around the four partial occupied anion positons which couldn't be 
assigned any further.
;
# end Validation Reply Form

data_Sayan052518
_chemical_name_systematic               ?
_chemical_name_common                   Sayan052518
_chemical_formula_moiety                'C30 H30 N O2 P2 Ru, C H O3'
_chemical_formula_sum                   'C31 H31 N O5 P2 Ru'
_chemical_formula_iupac                 ?
_chemical_formula_weight                660.58

_chemical_melting_point                 ?

_space_group_crystal_system             triclinic
_space_group_name_H-M_alt               'P -1'
_space_group_name_Hall                  '-P 1'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, -y, -z'

_cell_length_a                          8.6522(17)
_cell_length_b                          12.368(2)
_cell_length_c                          16.043(3)
_cell_angle_alpha                       76.100(3)
_cell_angle_beta                        83.249(3)
_cell_angle_gamma                       79.846(3)
_cell_volume                            1635.3(6)
_cell_formula_units_Z                   2
_cell_measurement_reflns_used           245
_cell_measurement_theta_min             5.61
_cell_measurement_theta_max             55.05
_cell_measurement_temperature           100.(2)

_exptl_crystal_description              prism
_exptl_crystal_colour                   'clear colourless'
_exptl_crystal_size_max                 0.377
_exptl_crystal_size_mid                 0.177
_exptl_crystal_size_min                 0.116
_exptl_crystal_density_diffrn           1.342
_exptl_crystal_density_meas             ?
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    676

_exptl_absorpt_coefficient_mu           0.614
_exptl_absorpt_correction_type          multi-scan
_exptl_absorpt_process_details          'SADABS 2016/2 (Bruker AXS, 2016)'
_exptl_absorpt_correction_T_min         0.6626
_exptl_absorpt_correction_T_max         0.7461

_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        ?

_diffrn_reflns_number                   34308
_diffrn_reflns_av_R_equivalents         0.0370
_diffrn_reflns_av_unetI/netI            0.0323
_diffrn_reflns_theta_min                1.72
_diffrn_reflns_theta_max                30.56
_diffrn_reflns_theta_full               30.56
_diffrn_measured_fraction_theta_max     0.976
_diffrn_measured_fraction_theta_full    0.976
_diffrn_reflns_limit_h_min              -12
_diffrn_reflns_limit_h_max              12
_diffrn_reflns_limit_k_min              -17
_diffrn_reflns_limit_k_max              17
_diffrn_reflns_limit_l_min              -22
_diffrn_reflns_limit_l_max              22

_refine_special_details                 
;
;

_reflns_number_total                    9801
_reflns_number_gt                       8746
_reflns_threshold_expression            'I > 2σ(I)'

_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_R_factor_all                 0.0550
_refine_ls_R_factor_gt                  0.0488
_refine_ls_wR_factor_gt                 0.1483
_refine_ls_wR_factor_ref                0.1542
_refine_ls_goodness_of_fit_ref          1.091
_refine_ls_restrained_S_all             1.083
_refine_ls_number_reflns                9801
_refine_ls_number_parameters            393
_refine_ls_number_restraints            468
_refine_ls_number_constraints           ?
_refine_ls_hydrogen_treatment           mixed
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details            
    'w=1/[σ²(Fo²)+(0.0878P)²+3.2314P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens          mixed
_atom_sites_solution_primary            ?
_atom_sites_solution_secondary          ?

_refine_ls_shift/su_max                 0.007
_refine_ls_shift/su_mean                0.000
_refine_diff_density_max                3.160
_refine_diff_density_min                -0.543
_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 v2018.1-0 (Bruker AXS, 2018)'
_computing_data_reduction               'SAINT V8.38A (Bruker AXS, 2013)'
_computing_structure_solution           'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement         'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics           'shelXle (C.B. Huebschle, rev 882)'
_computing_publication_material         'SHELXTL XL 2017/1 (Bruker AXS, 2017)'

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 0.6693(3) 0.4472(2) 0.88870(18) 0.0205(5) Uani d . . . 1.0 . .
    C C2 0.8401(4) 0.4092(3) 0.7341(2) 0.0278(6) Uani d . . . 1.0 . .
    C C3 0.5002(4) 0.6362(3) 0.6081(2) 0.0269(6) Uani d . . . 1.0 . .
    H H3A 0.402148 0.667213 0.638398 0.032 Uiso calc U . R 1.0 . .
    H H3B 0.482431 0.649221 0.546428 0.032 Uiso calc U . R 1.0 . .
    C C4 0.6343(4) 0.6960(3) 0.61776(19) 0.0262(6) Uani d . . . 1.0 . .
    H H4A 0.604018 0.778582 0.598942 0.031 Uiso calc U . R 1.0 . .
    H H4B 0.729267 0.672316 0.581711 0.031 Uiso calc U . R 1.0 . .
    C C5 0.5511(3) 0.7637(2) 0.78252(19) 0.0190(5) Uani d . . . 1.0 . .
    C C6 0.4853(4) 0.7329(2) 0.86685(19) 0.0230(5) Uani d . . . 1.0 . .
    H H6 0.507747 0.657119 0.898253 0.028 Uiso calc U . R 1.0 . .
    C C7 0.3869(4) 0.8124(3) 0.9057(2) 0.0278(6) Uani d . . . 1.0 . .
    H H7 0.343432 0.790815 0.963302 0.033 Uiso calc U . R 1.0 . .
    C C8 0.3530(4) 0.9226(3) 0.8598(3) 0.0349(7) Uani d . . . 1.0 . .
    H H8 0.284149 0.976505 0.88546 0.042 Uiso calc U . R 1.0 . .
    C C9 0.4201(5) 0.9546(3) 0.7759(3) 0.0372(8) Uani d . . . 1.0 . .
    H H9 0.397592 1.030543 0.744722 0.045 Uiso calc U . R 1.0 . .
    C C10 0.5195(4) 0.8761(3) 0.7379(2) 0.0281(6) Uani d . . . 1.0 . .
    H H10 0.566407 0.898773 0.681117 0.034 Uiso calc U . R 1.0 . .
    C C11 0.8717(3) 0.6893(3) 0.73470(19) 0.0224(5) Uani d . . . 1.0 . .
    C C12 0.9684(4) 0.6236(3) 0.7980(2) 0.0272(6) Uani d . . . 1.0 . .
    H H12 0.936079 0.557865 0.835224 0.033 Uiso calc U . R 1.0 . .
    C C13 1.1120(4) 0.6545(4) 0.8066(2) 0.0360(8) Uani d . . . 1.0 . .
    H H13 1.176853 0.610708 0.850363 0.043 Uiso calc U . R 1.0 . .
    C C14 1.1601(4) 0.7495(4) 0.7510(3) 0.0362(8) Uani d . . . 1.0 . .
    H H14 1.256932 0.771407 0.757781 0.043 Uiso calc U . R 1.0 . .
    C C15 1.0679(4) 0.8129(3) 0.6856(3) 0.0337(7) Uani d . . . 1.0 . .
    H H15 1.103593 0.876011 0.646544 0.04 Uiso calc U . R 1.0 . .
    C C16 0.9224(4) 0.7836(3) 0.6776(2) 0.0293(6) Uani d . . . 1.0 . .
    H H16 0.858202 0.827364 0.633602 0.035 Uiso calc U . R 1.0 . .
    C C17 0.4037(4) 0.4543(3) 0.6418(2) 0.0287(6) Uani d . . . 1.0 . .
    H H17A 0.377841 0.466948 0.581402 0.034 Uiso calc U . R 1.0 . .
    H H17B 0.310126 0.485724 0.675181 0.034 Uiso calc U . R 1.0 . .
    C C18 0.4461(5) 0.3284(3) 0.6794(2) 0.0321(7) Uani d . . . 1.0 . .
    H H18A 0.532849 0.295064 0.642861 0.039 Uiso calc U . R 1.0 . .
    H H18B 0.353892 0.290105 0.681932 0.039 Uiso calc U . R 1.0 . .
    C C19 0.3288(4) 0.2958(2) 0.8598(2) 0.0238(5) Uani d . . . 1.0 . .
    C C20 0.2226(4) 0.2277(3) 0.8482(2) 0.0306(6) Uani d . . . 1.0 . .
    H H20 0.244744 0.188614 0.802884 0.037 Uiso calc U . R 1.0 . .
    C C21 0.0855(4) 0.2168(3) 0.9022(3) 0.0335(7) Uani d . . . 1.0 . .
    H H21 0.014197 0.171141 0.8933 0.04 Uiso calc U . R 1.0 . .
    C C22 0.0530(4) 0.2728(3) 0.9689(2) 0.0338(7) Uani d . . . 1.0 . .
    H H22 -0.040148 0.264863 1.006139 0.041 Uiso calc U . R 1.0 . .
    C C23 0.1565(5) 0.3403(3) 0.9815(2) 0.0379(8) Uani d . . . 1.0 . .
    H H23 0.133734 0.378872 1.027072 0.045 Uiso calc U . R 1.0 . .
    C C24 0.2939(4) 0.3517(3) 0.9272(2) 0.0323(7) Uani d . . . 1.0 . .
    H H24 0.364357 0.397959 0.936189 0.039 Uiso calc U . R 1.0 . .
    C C25 0.6310(4) 0.1734(2) 0.8135(2) 0.0261(6) Uani d . . . 1.0 . .
    C C26 0.6144(4) 0.0975(3) 0.8926(2) 0.0269(6) Uani d . . . 1.0 . .
    H H26 0.53293 0.114901 0.934666 0.032 Uiso calc U . R 1.0 . .
    C C27 0.7175(5) -0.0040(3) 0.9099(2) 0.0338(7) Uani d . . . 1.0 . .
    H H27 0.705118 -0.055789 0.963645 0.041 Uiso calc U . R 1.0 . .
    C C28 0.8382(5) -0.0302(3) 0.8494(2) 0.0371(8) Uani d . . . 1.0 . .
    H H28 0.907193 -0.099938 0.86152 0.044 Uiso calc U . R 1.0 . .
    C C29 0.8575(6) 0.0456(3) 0.7713(3) 0.0468(11) Uani d . . . 1.0 . .
    H H29 0.940797 0.028578 0.730039 0.056 Uiso calc U . R 1.0 . .
    C C30 0.7544(6) 0.1469(3) 0.7534(2) 0.0414(9) Uani d . . . 1.0 . .
    H H30 0.767918 0.198613 0.699685 0.05 Uiso calc U . R 1.0 . .
    N N1 0.5394(3) 0.5124(2) 0.64518(16) 0.0231(5) Uani d . . . 1.0 . .
    H H1N 0.610(5) 0.485(4) 0.615(3) 0.028 Uiso d U . . 1.0 . .
    O O1 0.6906(3) 0.4354(2) 0.95993(14) 0.0274(5) Uani d . . . 1.0 . .
    O O2 0.9677(3) 0.3763(3) 0.71471(17) 0.0424(7) Uani d . . . 1.0 . .
    P P1 0.67532(8) 0.65797(6) 0.73174(4) 0.01771(14) Uani d . . . 1.0 . .
    P P2 0.50772(10) 0.31087(6) 0.78830(5) 0.02281(16) Uani d . . . 1.0 . .
    Ru Ru1 0.62510(3) 0.47236(2) 0.77367(2) 0.01801(8) Uani d . . . 1.0 . .
    H H1 0.444(5) 0.533(3) 0.801(3) 0.022 Uiso d U . . 1.0 . .
    C C31 0.8633(10) 0.3864(7) 0.5272(6) 0.0260(10) Uani d . P D 0.323(3) A -1
    O O3 0.8081(8) 0.4879(6) 0.5296(4) 0.0247(5) Uani d . P D 0.323(3) A -1
    H H1O 0.859882 0.543549 0.492029 0.03 Uiso d U P . 0.3232 A -1
    O O4 1.0159(8) 0.3511(7) 0.5068(5) 0.0247(5) Uani d . P D 0.323(3) A -1
    O O5 0.7647(7) 0.3153(6) 0.5438(4) 0.0247(5) Uani d . P D 0.323(3) A -1
    C C31A 0.9137(14) 0.4341(11) 0.5177(10) 0.0260(10) Uani d . P D 0.177(3) A
     -2
    O O3A 0.9094(14) 0.5452(9) 0.5022(7) 0.0247(5) Uani d . P D 0.177(3) A -2
    H H1OA 0.785295 0.55544 0.515777 0.03 Uiso d U P . 0.1768 A -2
    O O4A 1.0535(14) 0.3655(12) 0.5177(9) 0.0247(5) Uani d . P D 0.177(3) A -2
    O O5A 0.7835(13) 0.3923(11) 0.5429(8) 0.0247(5) Uani d . P D 0.177(3) A -2
    C C31B 0.6890(10) 0.0597(8) 0.5236(6) 0.0260(10) Uani d . P D 0.287(2) B
     -1
    O O3B 0.5438(8) 0.1115(7) 0.5501(5) 0.0247(5) Uani d . P D 0.287(2) B -1
    H H1OB 0.498995 0.052248 0.510271 0.037 Uiso d U P . 0.2872 B -1
    O O4B 0.6826(9) -0.0303(6) 0.4931(5) 0.0247(5) Uani d . P D 0.287(2) B -1
    O O5B 0.8204(8) 0.0976(7) 0.5324(5) 0.0247(5) Uani d . P D 0.287(2) B -1
    C C31C 0.9029(13) 0.1115(10) 0.5330(8) 0.0260(10) Uani d . P D 0.213(2) B
     -2
    O O3C 0.7686(11) 0.1820(9) 0.5352(6) 0.0247(5) Uani d . P D 0.213(2) B -2
    H H1OC 0.822703 0.27591 0.516816 0.03 Uiso d U P . 0.2128 B -2
    O O4C 0.9050(12) 0.0149(8) 0.5108(6) 0.0247(5) Uani d . P D 0.213(2) B -2
    O O5C 1.0344(11) 0.1457(9) 0.5458(6) 0.0247(5) Uani d . P D 0.213(2) B -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 . 1.149(4) ?
    C1 Ru1 . 1.870(3) ?
    C2 O2 . 1.141(4) ?
    C2 Ru1 . 1.980(3) ?
    C3 N1 . 1.497(4) ?
    C3 C4 . 1.522(5) ?
    C3 H3A . 0.99 ?
    C3 H3B . 0.99 ?
    C4 P1 . 1.836(3) ?
    C4 H4A . 0.99 ?
    C4 H4B . 0.99 ?
    C5 C6 . 1.395(4) ?
    C5 C10 . 1.398(4) ?
    C5 P1 . 1.827(3) ?
    C6 C7 . 1.398(4) ?
    C6 H6 . 0.95 ?
    C7 C8 . 1.383(5) ?
    C7 H7 . 0.95 ?
    C8 C9 . 1.395(5) ?
    C8 H8 . 0.95 ?
    C9 C10 . 1.387(5) ?
    C9 H9 . 0.95 ?
    C10 H10 . 0.95 ?
    C11 C12 . 1.398(4) ?
    C11 C16 . 1.402(4) ?
    C11 P1 . 1.817(3) ?
    C12 C13 . 1.394(5) ?
    C12 H12 . 0.95 ?
    C13 C14 . 1.390(6) ?
    C13 H13 . 0.95 ?
    C14 C15 . 1.390(6) ?
    C14 H14 . 0.95 ?
    C15 C16 . 1.398(5) ?
    C15 H15 . 0.95 ?
    C16 H16 . 0.95 ?
    C17 N1 . 1.492(4) ?
    C17 C18 . 1.524(5) ?
    C17 H17A . 0.99 ?
    C17 H17B . 0.99 ?
    C18 P2 . 1.839(3) ?
    C18 H18A . 0.99 ?
    C18 H18B . 0.99 ?
    C19 C24 . 1.395(4) ?
    C19 C20 . 1.406(5) ?
    C19 P2 . 1.825(3) ?
    C20 C21 . 1.390(5) ?
    C20 H20 . 0.95 ?
    C21 C22 . 1.386(6) ?
    C21 H21 . 0.95 ?
    C22 C23 . 1.388(5) ?
    C22 H22 . 0.95 ?
    C23 C24 . 1.396(5) ?
    C23 H23 . 0.95 ?
    C24 H24 . 0.95 ?
    C25 C26 . 1.396(4) ?
    C25 C30 . 1.401(5) ?
    C25 P2 . 1.823(3) ?
    C26 C27 . 1.394(5) ?
    C26 H26 . 0.95 ?
    C27 C28 . 1.390(5) ?
    C27 H27 . 0.95 ?
    C28 C29 . 1.385(5) ?
    C28 H28 . 0.95 ?
    C29 C30 . 1.393(5) ?
    C29 H29 . 0.95 ?
    C30 H30 . 0.95 ?
    N1 Ru1 . 2.187(3) ?
    N1 H1N . 0.81(4) ?
    P1 Ru1 . 2.3351(9) ?
    P2 Ru1 . 2.3474(9) ?
    Ru1 H1 . 1.67(4) ?
    C31 O3 . 1.270(9) ?
    C31 O5 . 1.292(9) ?
    C31 O4 . 1.344(9) ?
    O3 H1O . 0.9404 ?
    C31A O5A . 1.303(12) ?
    C31A O3A . 1.331(12) ?
    C31A O4A . 1.350(12) ?
    O3A H1OA . 1.0613 ?
    C31B O4B . 1.330(10) ?
    C31B O5B . 1.338(10) ?
    C31B O3B . 1.376(9) ?
    O3B H1OB . 1.2155 ?
    C31C O4C . 1.322(11) ?
    C31C O3C . 1.327(11) ?
    C31C O5C . 1.335(11) ?
    O3C H1OC . 1.2842 ?

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 . . 176.9(3) ?
    O2 C2 Ru1 . . 175.6(3) ?
    N1 C3 C4 . . 110.0(3) ?
    N1 C3 H3A . . 109.7 ?
    C4 C3 H3A . . 109.7 ?
    N1 C3 H3B . . 109.7 ?
    C4 C3 H3B . . 109.7 ?
    H3A C3 H3B . . 108.2 ?
    C3 C4 P1 . . 107.9(2) ?
    C3 C4 H4A . . 110.1 ?
    P1 C4 H4A . . 110.1 ?
    C3 C4 H4B . . 110.1 ?
    P1 C4 H4B . . 110.1 ?
    H4A C4 H4B . . 108.4 ?
    C6 C5 C10 . . 118.9(3) ?
    C6 C5 P1 . . 120.2(2) ?
    C10 C5 P1 . . 120.9(2) ?
    C5 C6 C7 . . 120.8(3) ?
    C5 C6 H6 . . 119.6 ?
    C7 C6 H6 . . 119.6 ?
    C8 C7 C6 . . 119.7(3) ?
    C8 C7 H7 . . 120.1 ?
    C6 C7 H7 . . 120.1 ?
    C7 C8 C9 . . 120.0(3) ?
    C7 C8 H8 . . 120.0 ?
    C9 C8 H8 . . 120.0 ?
    C10 C9 C8 . . 120.3(3) ?
    C10 C9 H9 . . 119.9 ?
    C8 C9 H9 . . 119.9 ?
    C9 C10 C5 . . 120.4(3) ?
    C9 C10 H10 . . 119.8 ?
    C5 C10 H10 . . 119.8 ?
    C12 C11 C16 . . 119.9(3) ?
    C12 C11 P1 . . 119.8(2) ?
    C16 C11 P1 . . 120.2(2) ?
    C13 C12 C11 . . 120.0(3) ?
    C13 C12 H12 . . 120.0 ?
    C11 C12 H12 . . 120.0 ?
    C14 C13 C12 . . 119.8(3) ?
    C14 C13 H13 . . 120.1 ?
    C12 C13 H13 . . 120.1 ?
    C15 C14 C13 . . 120.7(3) ?
    C15 C14 H14 . . 119.7 ?
    C13 C14 H14 . . 119.7 ?
    C14 C15 C16 . . 119.8(3) ?
    C14 C15 H15 . . 120.1 ?
    C16 C15 H15 . . 120.1 ?
    C15 C16 C11 . . 119.7(3) ?
    C15 C16 H16 . . 120.1 ?
    C11 C16 H16 . . 120.1 ?
    N1 C17 C18 . . 109.5(3) ?
    N1 C17 H17A . . 109.8 ?
    C18 C17 H17A . . 109.8 ?
    N1 C17 H17B . . 109.8 ?
    C18 C17 H17B . . 109.8 ?
    H17A C17 H17B . . 108.2 ?
    C17 C18 P2 . . 107.8(2) ?
    C17 C18 H18A . . 110.2 ?
    P2 C18 H18A . . 110.2 ?
    C17 C18 H18B . . 110.2 ?
    P2 C18 H18B . . 110.2 ?
    H18A C18 H18B . . 108.5 ?
    C24 C19 C20 . . 118.4(3) ?
    C24 C19 P2 . . 120.8(2) ?
    C20 C19 P2 . . 120.8(2) ?
    C21 C20 C19 . . 120.9(3) ?
    C21 C20 H20 . . 119.6 ?
    C19 C20 H20 . . 119.6 ?
    C22 C21 C20 . . 119.9(3) ?
    C22 C21 H21 . . 120.0 ?
    C20 C21 H21 . . 120.0 ?
    C21 C22 C23 . . 120.1(3) ?
    C21 C22 H22 . . 120.0 ?
    C23 C22 H22 . . 120.0 ?
    C22 C23 C24 . . 120.2(3) ?
    C22 C23 H23 . . 119.9 ?
    C24 C23 H23 . . 119.9 ?
    C19 C24 C23 . . 120.6(3) ?
    C19 C24 H24 . . 119.7 ?
    C23 C24 H24 . . 119.7 ?
    C26 C25 C30 . . 118.9(3) ?
    C26 C25 P2 . . 122.4(2) ?
    C30 C25 P2 . . 118.5(2) ?
    C27 C26 C25 . . 119.9(3) ?
    C27 C26 H26 . . 120.1 ?
    C25 C26 H26 . . 120.1 ?
    C28 C27 C26 . . 120.8(3) ?
    C28 C27 H27 . . 119.6 ?
    C26 C27 H27 . . 119.6 ?
    C29 C28 C27 . . 119.8(3) ?
    C29 C28 H28 . . 120.1 ?
    C27 C28 H28 . . 120.1 ?
    C28 C29 C30 . . 119.8(4) ?
    C28 C29 H29 . . 120.1 ?
    C30 C29 H29 . . 120.1 ?
    C29 C30 C25 . . 120.9(3) ?
    C29 C30 H30 . . 119.6 ?
    C25 C30 H30 . . 119.6 ?
    C17 N1 C3 . . 110.3(2) ?
    C17 N1 Ru1 . . 112.63(19) ?
    C3 N1 Ru1 . . 113.57(18) ?
    C17 N1 H1N . . 105.(3) ?
    C3 N1 H1N . . 109.(3) ?
    Ru1 N1 H1N . . 106.(3) ?
    C11 P1 C5 . . 102.47(13) ?
    C11 P1 C4 . . 106.08(15) ?
    C5 P1 C4 . . 106.44(14) ?
    C11 P1 Ru1 . . 120.37(10) ?
    C5 P1 Ru1 . . 118.19(9) ?
    C4 P1 Ru1 . . 102.07(10) ?
    C25 P2 C19 . . 104.97(14) ?
    C25 P2 C18 . . 106.51(15) ?
    C19 P2 C18 . . 105.17(17) ?
    C25 P2 Ru1 . . 118.27(12) ?
    C19 P2 Ru1 . . 118.62(10) ?
    C18 P2 Ru1 . . 101.90(11) ?
    C1 Ru1 C2 . . 94.58(13) ?
    C1 Ru1 N1 . . 171.75(11) ?
    C2 Ru1 N1 . . 93.67(12) ?
    C1 Ru1 P1 . . 96.92(9) ?
    C2 Ru1 P1 . . 93.33(10) ?
    N1 Ru1 P1 . . 82.41(7) ?
    C1 Ru1 P2 . . 96.88(9) ?
    C2 Ru1 P2 . . 97.49(11) ?
    N1 Ru1 P2 . . 82.21(7) ?
    P1 Ru1 P2 . . 161.70(3) ?
    C1 Ru1 H1 . . 88.3(14) ?
    C2 Ru1 H1 . . 176.0(14) ?
    N1 Ru1 H1 . . 83.4(14) ?
    P1 Ru1 H1 . . 83.6(13) ?
    P2 Ru1 H1 . . 84.8(13) ?
    O3 C31 O5 . . 117.1(8) ?
    O3 C31 O4 . . 123.5(8) ?
    O5 C31 O4 . . 119.5(8) ?
    C31 O3 H1O . . 116.3 ?
    O5A C31A O3A . . 119.1(12) ?
    O5A C31A O4A . . 120.4(12) ?
    O3A C31A O4A . . 120.0(12) ?
    C31A O3A H1OA . . 89.7 ?
    O4B C31B O5B . . 125.8(8) ?
    O4B C31B O3B . . 113.5(8) ?
    O5B C31B O3B . . 120.7(8) ?
    C31B O3B H1OB . . 82.0 ?
    O4C C31C O3C . . 119.6(10) ?
    O4C C31C O5C . . 122.1(10) ?
    O3C C31C O5C . . 118.0(10) ?
    C31C O3C H1OC . . 99.6 ?

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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N1 C3 C4 P1 . . . . -53.8(3) ?
    C10 C5 C6 C7 . . . . 1.3(4) ?
    P1 C5 C6 C7 . . . . -178.4(2) ?
    C5 C6 C7 C8 . . . . 0.5(5) ?
    C6 C7 C8 C9 . . . . -1.5(6) ?
    C7 C8 C9 C10 . . . . 0.7(6) ?
    C8 C9 C10 C5 . . . . 1.2(6) ?
    C6 C5 C10 C9 . . . . -2.2(5) ?
    P1 C5 C10 C9 . . . . 177.5(3) ?
    C16 C11 C12 C13 . . . . 2.6(5) ?
    P1 C11 C12 C13 . . . . -172.9(3) ?
    C11 C12 C13 C14 . . . . -1.2(5) ?
    C12 C13 C14 C15 . . . . -1.4(6) ?
    C13 C14 C15 C16 . . . . 2.5(6) ?
    C14 C15 C16 C11 . . . . -1.0(5) ?
    C12 C11 C16 C15 . . . . -1.5(5) ?
    P1 C11 C16 C15 . . . . 174.1(3) ?
    N1 C17 C18 P2 . . . . 55.1(3) ?
    C24 C19 C20 C21 . . . . 0.4(5) ?
    P2 C19 C20 C21 . . . . -179.5(3) ?
    C19 C20 C21 C22 . . . . -0.6(5) ?
    C20 C21 C22 C23 . . . . 0.6(5) ?
    C21 C22 C23 C24 . . . . -0.3(6) ?
    C20 C19 C24 C23 . . . . -0.2(5) ?
    P2 C19 C24 C23 . . . . 179.7(3) ?
    C22 C23 C24 C19 . . . . 0.1(6) ?
    C30 C25 C26 C27 . . . . -1.5(5) ?
    P2 C25 C26 C27 . . . . -176.6(3) ?
    C25 C26 C27 C28 . . . . 0.6(6) ?
    C26 C27 C28 C29 . . . . 0.6(6) ?
    C27 C28 C29 C30 . . . . -1.0(7) ?
    C28 C29 C30 C25 . . . . 0.1(7) ?
    C26 C25 C30 C29 . . . . 1.1(6) ?
    P2 C25 C30 C29 . . . . 176.5(4) ?
    C18 C17 N1 C3 . . . . 179.7(2) ?
    C18 C17 N1 Ru1 . . . . -52.2(3) ?
    C4 C3 N1 C17 . . . . 175.9(2) ?
    C4 C3 N1 Ru1 . . . . 48.3(3) ?
    C12 C11 P1 C5 . . . . 100.7(3) ?
    C16 C11 P1 C5 . . . . -74.9(3) ?
    C12 C11 P1 C4 . . . . -147.9(3) ?
    C16 C11 P1 C4 . . . . 36.5(3) ?
    C12 C11 P1 Ru1 . . . . -33.0(3) ?
    C16 C11 P1 Ru1 . . . . 151.5(2) ?
    C6 C5 P1 C11 . . . . -104.6(2) ?
    C10 C5 P1 C11 . . . . 75.7(3) ?
    C6 C5 P1 C4 . . . . 144.3(2) ?
    C10 C5 P1 C4 . . . . -35.4(3) ?
    C6 C5 P1 Ru1 . . . . 30.3(3) ?
    C10 C5 P1 Ru1 . . . . -149.4(2) ?
    C3 C4 P1 C11 . . . . 161.1(2) ?
    C3 C4 P1 C5 . . . . -90.3(2) ?
    C3 C4 P1 Ru1 . . . . 34.2(2) ?
    C26 C25 P2 C19 . . . . -23.6(3) ?
    C30 C25 P2 C19 . . . . 161.3(3) ?
    C26 C25 P2 C18 . . . . -134.8(3) ?
    C30 C25 P2 C18 . . . . 50.0(4) ?
    C26 C25 P2 Ru1 . . . . 111.4(3) ?
    C30 C25 P2 Ru1 . . . . -63.8(3) ?
    C24 C19 P2 C25 . . . . 111.0(3) ?
    C20 C19 P2 C25 . . . . -69.1(3) ?
    C24 C19 P2 C18 . . . . -136.8(3) ?
    C20 C19 P2 C18 . . . . 43.1(3) ?
    C24 C19 P2 Ru1 . . . . -23.8(3) ?
    C20 C19 P2 Ru1 . . . . 156.1(2) ?
    C17 C18 P2 C25 . . . . -157.0(2) ?
    C17 C18 P2 C19 . . . . 92.0(3) ?
    C17 C18 P2 Ru1 . . . . -32.4(3) ?



