#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/63/4086345.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4086345
loop_
_publ_author_name
'O, Wylie W. N.'
'Kang, Xiaohui'
'Luo, Yi'
'Hou, Zhaomin'
_publ_section_title
;
 PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing
 Phosphinophenyl and Phosphinomethyl Bridging Ligands
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              1030
_journal_page_last               1043
_journal_paper_doi               10.1021/om401216v
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C52 H76 N P3 Ru Y'
_chemical_formula_weight         998.03
_chemical_name_common            PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2)
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.5940(10)
_cell_angle_beta                 102.9110(10)
_cell_angle_gamma                113.6150(10)
_cell_formula_units_Z            2
_cell_length_a                   12.4863(8)
_cell_length_b                   13.1993(8)
_cell_length_c                   18.0937(12)
_cell_measurement_temperature    163(2)
_cell_volume                     2551.3(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      163(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type
'Bruker D8 QUEST diffractometer with a CMOS area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'doubly curved silicon crystal'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_sigmaI/netI    0.0855
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13805
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    1.555
_exptl_absorpt_correction_T_max  0.9696
_exptl_absorpt_correction_T_min  0.8354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1046
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.774
_refine_diff_density_min         -0.744
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.874
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     547
_refine_ls_number_reflns         8875
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.874
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0376
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0227P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0704
_refine_ls_wR_factor_ref         0.0735
_reflns_number_gt                6439
_reflns_number_total             8875
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om401216v_si_002.cif
_cod_data_source_block           2b-Y
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4093 2015-10-18 17:28:56Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4086345
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 0.6709(3) 0.0671(3) 0.1270(2) 0.0223(9) Uani 1 1 d . . .
H1A H 0.7437 0.0846 0.1087 0.027 Uiso 1 1 calc R . .
H1B H 0.5935 0.0243 0.0817 0.027 Uiso 1 1 calc R . .
C2 C 0.5161(3) 0.1639(3) 0.1554(2) 0.0200(8) Uani 1 1 d . . .
C3 C 0.4534(3) 0.1657(3) 0.2091(2) 0.0271(9) Uani 1 1 d . . .
H3 H 0.4955 0.1859 0.2641 0.033 Uiso 1 1 calc R . .
C4 C 0.3291(3) 0.1380(3) 0.1830(2) 0.0321(10) Uani 1 1 d . . .
H4 H 0.2862 0.1393 0.2201 0.039 Uiso 1 1 calc R . .
C5 C 0.2685(3) 0.1090(3) 0.1040(3) 0.0347(10) Uani 1 1 d . . .
H5 H 0.1831 0.0891 0.0864 0.042 Uiso 1 1 calc R . .
C6 C 0.3302(3) 0.1084(3) 0.0494(2) 0.0312(10) Uani 1 1 d . . .
H6 H 0.2878 0.0887 -0.0055 0.037 Uiso 1 1 calc R . .
C7 C 0.4537(3) 0.1365(3) 0.0755(2) 0.0266(9) Uani 1 1 d . . .
H7 H 0.4968 0.1371 0.0383 0.032 Uiso 1 1 calc R . .
C8 C 0.7553(3) 0.3149(3) 0.1545(2) 0.0213(8) Uani 1 1 d . . .
C9 C 0.7044(3) 0.3867(3) 0.1350(2) 0.0282(9) Uani 1 1 d . . .
H9 H 0.6253 0.3721 0.1390 0.034 Uiso 1 1 calc R . .
C10 C 0.7688(3) 0.4802(3) 0.1096(3) 0.0381(11) Uani 1 1 d . . .
H10 H 0.7337 0.5294 0.0968 0.046 Uiso 1 1 calc R . .
C11 C 0.8820(3) 0.5014(3) 0.1029(3) 0.0411(11) Uani 1 1 d . . .
H11 H 0.9253 0.5649 0.0851 0.049 Uiso 1 1 calc R . .
C12 C 0.9332(3) 0.4303(3) 0.1223(3) 0.0380(11) Uani 1 1 d . . .
H12 H 1.0119 0.4444 0.1175 0.046 Uiso 1 1 calc R . .
C13 C 0.8704(3) 0.3388(3) 0.1484(2) 0.0310(10) Uani 1 1 d . . .
H13 H 0.9072 0.2911 0.1624 0.037 Uiso 1 1 calc R . .
C14 C 0.8186(3) 0.2789(3) 0.4514(2) 0.0275(9) Uani 1 1 d . . .
C15 C 0.7280(3) 0.3137(3) 0.4192(2) 0.0321(10) Uani 1 1 d . . .
C16 C 0.7746(3) 0.3874(3) 0.3737(2) 0.0312(10) Uani 1 1 d . . .
C17 C 0.8944(3) 0.4013(3) 0.3779(2) 0.0326(10) Uani 1 1 d . . .
C18 C 0.9207(3) 0.3345(3) 0.4268(2) 0.0324(10) Uani 1 1 d . . .
C19 C 0.8097(4) 0.2073(4) 0.5085(3) 0.0549(13) Uani 1 1 d . . .
H19A H 0.8651 0.1720 0.5070 0.082 Uiso 1 1 calc R . .
H19B H 0.7246 0.1467 0.4936 0.082 Uiso 1 1 calc R . .
H19C H 0.8335 0.2567 0.5622 0.082 Uiso 1 1 calc R . .
C20 C 0.6125(4) 0.2874(4) 0.4396(3) 0.0554(13) Uani 1 1 d . . .
H20A H 0.6311 0.3416 0.4903 0.083 Uiso 1 1 calc R . .
H20B H 0.5775 0.2084 0.4438 0.083 Uiso 1 1 calc R . .
H20C H 0.5529 0.2949 0.3982 0.083 Uiso 1 1 calc R . .
C21 C 0.7140(4) 0.4533(3) 0.3370(3) 0.0503(13) Uani 1 1 d . . .
H21A H 0.7312 0.5221 0.3774 0.075 Uiso 1 1 calc R . .
H21B H 0.6247 0.4041 0.3147 0.075 Uiso 1 1 calc R . .
H21C H 0.7468 0.4765 0.2948 0.075 Uiso 1 1 calc R . .
C22 C 0.9842(4) 0.4843(3) 0.3476(3) 0.0572(13) Uani 1 1 d . . .
H22A H 0.9390 0.4953 0.3004 0.086 Uiso 1 1 calc R . .
H22B H 1.0389 0.4533 0.3339 0.086 Uiso 1 1 calc R . .
H22C H 1.0335 0.5586 0.3886 0.086 Uiso 1 1 calc R . .
C23 C 1.0432(3) 0.3326(4) 0.4521(3) 0.0557(14) Uani 1 1 d . . .
H23A H 1.0779 0.3364 0.4085 0.083 Uiso 1 1 calc R . .
H23B H 1.0314 0.2611 0.4660 0.083 Uiso 1 1 calc R . .
H23C H 1.1000 0.3990 0.4981 0.083 Uiso 1 1 calc R . .
C24 C 0.5218(3) -0.3122(3) 0.2006(2) 0.0203(8) Uani 1 1 d . . .
C25 C 0.5236(3) -0.4190(3) 0.1956(2) 0.0241(9) Uani 1 1 d . . .
H25 H 0.5852 -0.4313 0.1785 0.029 Uiso 1 1 calc R . .
C26 C 0.4385(3) -0.5057(3) 0.2148(2) 0.0285(9) Uani 1 1 d . . .
H26 H 0.4428 -0.5766 0.2107 0.034 Uiso 1 1 calc R . .
C27 C 0.3468(3) -0.4929(3) 0.2400(2) 0.0280(9) Uani 1 1 d . . .
C28 C 0.3437(3) -0.3885(3) 0.2449(2) 0.0264(9) Uani 1 1 d . . .
H28 H 0.2813 -0.3778 0.2619 0.032 Uiso 1 1 calc R . .
C29 C 0.4287(3) -0.2979(3) 0.2259(2) 0.0229(9) Uani 1 1 d . . .
C30 C 0.2541(3) -0.5881(3) 0.2624(2) 0.0412(11) Uani 1 1 d . . .
H30A H 0.2685 -0.6561 0.2533 0.062 Uiso 1 1 calc R . .
H30B H 0.1703 -0.6082 0.2299 0.062 Uiso 1 1 calc R . .
H30C H 0.2635 -0.5614 0.3184 0.062 Uiso 1 1 calc R . .
C31 C 0.6672(3) -0.2471(3) 0.1315(2) 0.0206(8) Uani 1 1 d . . .
C32 C 0.7974(3) -0.1842(3) 0.1499(2) 0.0224(9) Uani 1 1 d . . .
C33 C 0.8523(3) -0.2062(3) 0.0941(2) 0.0245(9) Uani 1 1 d . . .
H33 H 0.9390 -0.1627 0.1067 0.029 Uiso 1 1 calc R . .
C34 C 0.7874(3) -0.2871(3) 0.0220(2) 0.0259(9) Uani 1 1 d . . .
C35 C 0.6593(3) -0.3487(3) 0.0047(2) 0.0267(9) Uani 1 1 d . . .
H35 H 0.6113 -0.4055 -0.0449 0.032 Uiso 1 1 calc R . .
C36 C 0.6019(3) -0.3286(3) 0.0578(2) 0.0239(9) Uani 1 1 d . . .
H36 H 0.5148 -0.3717 0.0438 0.029 Uiso 1 1 calc R . .
C37 C 0.8478(4) -0.3108(4) -0.0368(2) 0.0401(11) Uani 1 1 d . . .
H37A H 0.9376 -0.2654 -0.0133 0.060 Uiso 1 1 calc R . .
H37B H 0.8194 -0.2895 -0.0841 0.060 Uiso 1 1 calc R . .
H37C H 0.8261 -0.3932 -0.0517 0.060 Uiso 1 1 calc R . .
C38 C 0.4743(4) -0.1204(4) 0.3952(2) 0.0455(12) Uani 1 1 d . . .
H38A H 0.5518 -0.0523 0.4034 0.068 Uiso 1 1 calc R . .
H38B H 0.4880 -0.1890 0.3898 0.068 Uiso 1 1 calc R . .
H38C H 0.4453 -0.1101 0.4407 0.068 Uiso 1 1 calc R . .
C39 C 0.3531(4) -0.0301(3) 0.3284(3) 0.0444(12) Uani 1 1 d . . .
H39A H 0.3311 -0.0163 0.3764 0.067 Uiso 1 1 calc R . .
H39B H 0.2851 -0.0440 0.2821 0.067 Uiso 1 1 calc R . .
H39C H 0.4277 0.0377 0.3317 0.067 Uiso 1 1 calc R . .
C40 C 0.3775(3) -0.1357(3) 0.3203(2) 0.0305(10) Uani 1 1 d . . .
H40 H 0.2989 -0.2054 0.3125 0.037 Uiso 1 1 calc R . .
C41 C 0.3441(4) -0.2025(4) 0.0733(2) 0.0476(12) Uani 1 1 d . . .
H41A H 0.3480 -0.2761 0.0661 0.071 Uiso 1 1 calc R . .
H41B H 0.4250 -0.1404 0.0794 0.071 Uiso 1 1 calc R . .
H41C H 0.2822 -0.2070 0.0271 0.071 Uiso 1 1 calc R . .
C42 C 0.1798(3) -0.2673(4) 0.1373(3) 0.0513(13) Uani 1 1 d . . .
H42A H 0.1211 -0.2701 0.0899 0.077 Uiso 1 1 calc R . .
H42B H 0.1571 -0.2464 0.1839 0.077 Uiso 1 1 calc R . .
H42C H 0.1779 -0.3432 0.1319 0.077 Uiso 1 1 calc R . .
C43 C 0.3089(3) -0.1778(3) 0.1469(2) 0.0328(10) Uani 1 1 d . . .
H43 H 0.3067 -0.1021 0.1523 0.039 Uiso 1 1 calc R . .
C44 C 0.9795(4) -0.2215(4) 0.2956(3) 0.0532(13) Uani 1 1 d . . .
H44A H 1.0649 -0.1608 0.3126 0.080 Uiso 1 1 calc R . .
H44B H 0.9531 -0.2597 0.2389 0.080 Uiso 1 1 calc R . .
H44C H 0.9743 -0.2782 0.3252 0.080 Uiso 1 1 calc R . .
C45 C 0.9270(4) -0.1081(4) 0.3968(3) 0.0661(15) Uani 1 1 d . . .
H45A H 0.9170 -0.1639 0.4275 0.099 Uiso 1 1 calc R . .
H45B H 0.8716 -0.0737 0.4020 0.099 Uiso 1 1 calc R . .
H45C H 1.0126 -0.0474 0.4168 0.099 Uiso 1 1 calc R . .
C46 C 0.8962(4) -0.1683(3) 0.3115(2) 0.0361(10) Uani 1 1 d . . .
H46 H 0.8126 -0.2351 0.2972 0.043 Uiso 1 1 calc R . .
C47 C 1.1110(3) 0.0995(3) 0.3244(2) 0.0407(11) Uani 1 1 d . . .
H47A H 1.1844 0.1607 0.3200 0.061 Uiso 1 1 calc R . .
H47B H 1.1360 0.0558 0.3573 0.061 Uiso 1 1 calc R . .
H47C H 1.0663 0.1340 0.3488 0.061 Uiso 1 1 calc R . .
C48 C 1.0070(3) 0.0879(3) 0.1858(2) 0.0362(11) Uani 1 1 d . . .
H48A H 0.9700 0.1347 0.2063 0.054 Uiso 1 1 calc R . .
H48B H 0.9515 0.0348 0.1337 0.054 Uiso 1 1 calc R . .
H48C H 1.0863 0.1386 0.1811 0.054 Uiso 1 1 calc R . .
C49 C 1.0276(3) 0.0190(3) 0.2424(2) 0.0271(9) Uani 1 1 d . . .
H49 H 1.0668 -0.0275 0.2220 0.033 Uiso 1 1 calc R . .
C50 C 0.4511(4) 0.3965(5) 0.5643(3) 0.0676(16) Uani 1 1 d . . .
H50A H 0.4592 0.4535 0.6111 0.081 Uiso 1 1 calc R . .
H50B H 0.5261 0.3851 0.5763 0.081 Uiso 1 1 calc R . .
C51 C 0.4433(4) 0.4445(4) 0.4940(3) 0.0573(14) Uani 1 1 d . . .
H51A H 0.3701 0.4587 0.4835 0.069 Uiso 1 1 calc R . .
H51B H 0.4316 0.3860 0.4468 0.069 Uiso 1 1 calc R . .
C52 C 0.3386(5) 0.2822(5) 0.5503(4) 0.095(2) Uani 1 1 d . . .
H52A H 0.2637 0.2922 0.5367 0.143 Uiso 1 1 calc R . .
H52B H 0.3462 0.2573 0.5985 0.143 Uiso 1 1 calc R . .
H52C H 0.3337 0.2236 0.5068 0.143 Uiso 1 1 calc R . .
N1 N 0.6115(2) -0.2202(2) 0.18564(17) 0.0200(7) Uani 1 1 d . . .
P1 P 0.67835(8) 0.19135(8) 0.19089(6) 0.0196(2) Uani 1 1 d . . .
P2 P 0.43051(8) -0.15873(8) 0.23530(6) 0.0230(2) Uani 1 1 d . . .
P3 P 0.87623(8) -0.07874(8) 0.24644(6) 0.0223(2) Uani 1 1 d . . .
Y1 Y 0.67511(3) -0.02135(3) 0.23046(2) 0.01960(10) Uani 1 1 d . . .
Ru1 Ru 0.76038(3) 0.21562(2) 0.322616(18) 0.02013(9) Uani 1 1 d . . .
H1RU H 0.833(3) 0.151(3) 0.309(2) 0.041(10) Uiso 1 1 d . . .
H2RU H 0.658(2) 0.101(2) 0.3208(17) 0.016(8) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 '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'
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
P1 C1 Y1 91.04(14) . .
C3 C2 C7 119.0(3) . .
C3 C2 P1 119.4(3) . .
C7 C2 P1 121.5(3) . .
C2 C3 C4 120.1(4) . .
C5 C4 C3 120.1(4) . .
C4 C5 C6 120.6(3) . .
C7 C6 C5 119.2(4) . .
C6 C7 C2 120.9(4) . .
C13 C8 C9 118.4(3) . .
C13 C8 P1 118.4(3) . .
C9 C8 P1 123.2(3) . .
C8 C9 C10 120.3(3) . .
C11 C10 C9 120.4(3) . .
C10 C11 C12 119.6(4) . .
C13 C12 C11 120.0(3) . .
C12 C13 C8 121.3(3) . .
C18 C14 C15 107.1(3) . .
C18 C14 C19 127.2(3) . .
C15 C14 C19 125.3(4) . .
C18 C14 Ru1 71.9(2) . .
C15 C14 Ru1 72.0(2) . .
C19 C14 Ru1 126.7(3) . .
C16 C15 C14 108.1(3) . .
C16 C15 C20 126.8(4) . .
C14 C15 C20 124.6(4) . .
C16 C15 Ru1 71.9(2) . .
C14 C15 Ru1 70.0(2) . .
C20 C15 Ru1 129.5(3) . .
C15 C16 C17 108.7(3) . .
C15 C16 C21 125.1(4) . .
C17 C16 C21 125.7(4) . .
C15 C16 Ru1 70.9(2) . .
C17 C16 Ru1 71.6(2) . .
C21 C16 Ru1 130.0(3) . .
C16 C17 C18 106.8(3) . .
C16 C17 C22 126.6(4) . .
C18 C17 C22 126.0(4) . .
C16 C17 Ru1 71.2(2) . .
C18 C17 Ru1 70.2(2) . .
C22 C17 Ru1 130.6(3) . .
C14 C18 C17 109.3(3) . .
C14 C18 C23 126.4(4) . .
C17 C18 C23 124.2(4) . .
C14 C18 Ru1 70.7(2) . .
C17 C18 Ru1 72.3(2) . .
C23 C18 Ru1 126.7(3) . .
N1 C24 C29 120.0(3) . .
N1 C24 C25 122.6(3) . .
C29 C24 C25 117.3(3) . .
C26 C25 C24 121.5(3) . .
C25 C26 C27 121.9(3) . .
C28 C27 C26 117.1(3) . .
C28 C27 C30 121.0(3) . .
C26 C27 C30 121.9(3) . .
C27 C28 C29 122.7(3) . .
C28 C29 C24 119.4(3) . .
C28 C29 P2 123.6(3) . .
C24 C29 P2 116.9(2) . .
C36 C31 N1 123.7(3) . .
C36 C31 C32 117.1(3) . .
N1 C31 C32 119.1(3) . .
C33 C32 C31 119.2(3) . .
C33 C32 P3 126.1(3) . .
C31 C32 P3 114.7(3) . .
C34 C33 C32 123.2(3) . .
C33 C34 C35 117.0(4) . .
C33 C34 C37 122.6(3) . .
C35 C34 C37 120.4(4) . .
C36 C35 C34 121.4(4) . .
C35 C36 C31 122.0(3) . .
C38 C40 C39 110.2(3) . .
C38 C40 P2 109.2(3) . .
C39 C40 P2 111.2(2) . .
C42 C43 C41 111.1(4) . .
C42 C43 P2 115.0(3) . .
C41 C43 P2 109.9(3) . .
C45 C46 C44 114.3(3) . .
C45 C46 P3 112.0(3) . .
C44 C46 P3 113.9(3) . .
C47 C49 C48 110.5(3) . .
C47 C49 P3 110.4(3) . .
C48 C49 P3 108.0(2) . .
C51 C50 C52 112.9(4) . .
C50 C51 C51 113.4(5) . 2_666
C31 N1 C24 117.5(3) . .
C31 N1 Y1 112.75(19) . .
C24 N1 Y1 129.6(2) . .
C1 P1 C8 106.51(16) . .
C1 P1 C2 100.48(16) . .
C8 P1 C2 101.47(14) . .
C1 P1 Ru1 113.87(11) . .
C8 P1 Ru1 115.72(12) . .
C2 P1 Ru1 116.92(12) . .
C1 P1 Y1 52.13(10) . .
C8 P1 Y1 147.14(11) . .
C2 P1 Y1 106.65(10) . .
Ru1 P1 Y1 65.36(2) . .
C29 P2 C40 104.51(16) . .
C29 P2 C43 105.91(17) . .
C40 P2 C43 106.88(18) . .
C29 P2 Y1 100.80(11) . .
C40 P2 Y1 124.75(13) . .
C43 P2 Y1 112.06(12) . .
C32 P3 C49 105.44(17) . .
C32 P3 C46 102.04(17) . .
C49 P3 C46 109.50(17) . .
C32 P3 Y1 90.77(11) . .
C49 P3 Y1 122.97(12) . .
C46 P3 Y1 120.04(13) . .
N1 Y1 C1 113.24(11) . .
N1 Y1 P3 66.48(6) . .
C1 Y1 P3 107.00(8) . .
N1 Y1 P2 67.64(7) . .
C1 Y1 P2 112.24(8) . .
P3 Y1 P2 128.16(3) . .
N1 Y1 Ru1 166.44(7) . .
C1 Y1 Ru1 80.32(8) . .
P3 Y1 Ru1 110.88(2) . .
P2 Y1 Ru1 107.98(2) . .
N1 Y1 P1 147.54(7) . .
C1 Y1 P1 36.83(8) . .
P3 Y1 P1 124.48(3) . .
P2 Y1 P1 107.17(3) . .
Ru1 Y1 P1 45.45(2) . .
C14 Ru1 C18 37.40(13) . .
C14 Ru1 C15 37.96(12) . .
C18 Ru1 C15 62.28(14) . .
C14 Ru1 C16 62.90(13) . .
C18 Ru1 C16 62.12(13) . .
C15 Ru1 C16 37.13(13) . .
C14 Ru1 C17 63.12(14) . .
C18 Ru1 C17 37.58(13) . .
C15 Ru1 C17 62.36(14) . .
C16 Ru1 C17 37.11(13) . .
C14 Ru1 P1 162.32(10) . .
C18 Ru1 P1 141.36(11) . .
C15 Ru1 P1 125.00(10) . .
C16 Ru1 P1 100.25(10) . .
C17 Ru1 P1 107.34(10) . .
C14 Ru1 Y1 125.94(9) . .
C18 Ru1 Y1 133.25(9) . .
C15 Ru1 Y1 140.29(10) . .
C16 Ru1 Y1 164.38(9) . .
C17 Ru1 Y1 155.59(10) . .
P1 Ru1 Y1 69.19(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 P1 1.797(3) .
C1 Y1 2.367(3) .
C2 C3 1.380(5) .
C2 C7 1.388(5) .
C2 P1 1.844(3) .
C3 C4 1.388(4) .
C4 C5 1.365(5) .
C5 C6 1.383(5) .
C6 C7 1.378(4) .
C8 C13 1.378(4) .
C8 C9 1.385(4) .
C8 P1 1.844(3) .
C9 C10 1.393(5) .
C10 C11 1.364(5) .
C11 C12 1.380(5) .
C12 C13 1.376(5) .
C14 C18 1.405(5) .
C14 C15 1.428(5) .
C14 C19 1.506(5) .
C14 Ru1 2.182(4) .
C15 C16 1.410(5) .
C15 C20 1.488(5) .
C15 Ru1 2.208(4) .
C16 C17 1.415(5) .
C16 C21 1.505(5) .
C16 Ru1 2.221(4) .
C17 C18 1.426(5) .
C17 C22 1.500(5) .
C17 Ru1 2.226(4) .
C18 C23 1.507(5) .
C18 Ru1 2.199(4) .
C24 N1 1.400(4) .
C24 C29 1.406(4) .
C24 C25 1.406(4) .
C25 C26 1.372(4) .
C26 C27 1.383(5) .
C27 C28 1.382(5) .
C27 C30 1.515(4) .
C28 C29 1.400(4) .
C29 P2 1.808(3) .
C31 C36 1.390(5) .
C31 N1 1.399(4) .
C31 C32 1.425(4) .
C32 C33 1.395(5) .
C32 P3 1.811(4) .
C33 C34 1.367(5) .
C34 C35 1.401(5) .
C34 C37 1.497(5) .
C35 C36 1.373(5) .
C38 C40 1.523(5) .
C39 C40 1.532(5) .
C40 P2 1.832(4) .
C41 C43 1.518(5) .
C42 C43 1.518(4) .
C43 P2 1.845(4) .
C44 C46 1.520(5) .
C45 C46 1.497(6) .
C46 P3 1.848(4) .
C47 C49 1.521(5) .
C48 C49 1.525(4) .
C49 P3 1.839(3) .
C50 C51 1.514(6) .
C50 C52 1.526(6) .
C51 C51 1.514(8) 2_666
N1 Y1 2.347(3) .
P1 Ru1 2.2856(10) .
P1 Y1 2.9980(9) .
P2 Y1 2.8912(9) .
P3 Y1 2.8698(9) .
Y1 Ru1 2.9151(5) .
