#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/63/4086352.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_4086352
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            'C61 H88 N2 O P3 Ru Y'
_chemical_formula_weight         1148.22
_chemical_name_common
PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2CHPhCNCH3)(C4H10O)
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.871(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.8425(10)
_cell_length_b                   17.5448(11)
_cell_length_c                   23.6853(16)
_cell_measurement_reflns_used    131481
_cell_measurement_temperature    163(2)
_cell_measurement_theta_max      25.08
_cell_measurement_theta_min      1.45
_cell_volume                     5961.3(7)
_computing_cell_refinement       'APEX2 (Bruker, 2013); SAINT (Bruker, 2012)'
_computing_data_collection       'GIS (Bruker)'
_computing_data_reduction
'SAINT (Bruker, 2012); XPREP (Sheldrick, 2013)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      163(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.1180
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            131481
_diffrn_reflns_theta_full        25.08
_diffrn_reflns_theta_max         25.08
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    1.342
_exptl_absorpt_correction_T_max  0.9238
_exptl_absorpt_correction_T_min  0.5897
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Sheldrick, G. M. (2012) SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2416
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.490
_refine_diff_density_min         -0.351
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     638
_refine_ls_number_reflns         10583
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0361
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0330P)²+3.2953P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0720
_refine_ls_wR_factor_ref         0.0790
_reflns_number_gt                8315
_reflns_number_total             10583
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om401216v_si_002.cif
_cod_data_source_block           7b-Y
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 21/n'
_cod_database_code               4086352
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.60428(19) 0.89797(17) 0.21412(13) 0.0213(7) Uani 1 1 d . . .
H1A H 0.6546 0.9322 0.2354 0.026 Uiso 1 1 calc R . .
H1B H 0.6174 0.8470 0.2323 0.026 Uiso 1 1 calc R . .
C2 C 0.61385(19) 0.89123(16) 0.15127(13) 0.0203(6) Uani 1 1 d . . .
H2 H 0.5953 0.9410 0.1310 0.024 Uiso 1 1 calc R . .
C3 C 0.7170(2) 0.87775(17) 0.15568(13) 0.0219(7) Uani 1 1 d . . .
C4 C 0.7747(2) 0.93483(19) 0.14403(15) 0.0340(8) Uani 1 1 d . . .
H4 H 0.7494 0.9835 0.1314 0.041 Uiso 1 1 calc R . .
C5 C 0.8694(3) 0.9214(2) 0.15068(17) 0.0470(11) Uani 1 1 d . . .
H5 H 0.9079 0.9609 0.1423 0.056 Uiso 1 1 calc R . .
C6 C 0.9075(2) 0.8520(3) 0.16909(16) 0.0486(11) Uani 1 1 d . . .
H6 H 0.9722 0.8433 0.1738 0.058 Uiso 1 1 calc R . .
C7 C 0.8518(2) 0.7946(2) 0.18081(15) 0.0412(9) Uani 1 1 d . . .
H7 H 0.8778 0.7462 0.1937 0.049 Uiso 1 1 calc R . .
C8 C 0.7576(2) 0.80786(19) 0.17373(14) 0.0313(8) Uani 1 1 d . . .
H8 H 0.7196 0.7677 0.1815 0.038 Uiso 1 1 calc R . .
C9 C 0.5689(2) 0.82252(18) 0.06067(13) 0.0299(8) Uani 1 1 d . . .
H9A H 0.5225 0.7872 0.0378 0.045 Uiso 1 1 calc R . .
H9B H 0.6316 0.8022 0.0642 0.045 Uiso 1 1 calc R . .
H9C H 0.5628 0.8721 0.0410 0.045 Uiso 1 1 calc R . .
C10 C 0.4746(2) 1.01920(16) 0.18326(13) 0.0240(7) Uani 1 1 d . . .
C11 C 0.3876(2) 1.03449(17) 0.14784(14) 0.0311(8) Uani 1 1 d . . .
H11 H 0.3373 1.0012 0.1484 0.037 Uiso 1 1 calc R . .
C12 C 0.3718(3) 1.09776(19) 0.11123(16) 0.0435(9) Uani 1 1 d . . .
H12 H 0.3112 1.1078 0.0872 0.052 Uiso 1 1 calc R . .
C13 C 0.4447(3) 1.1457(2) 0.11001(17) 0.0478(10) Uani 1 1 d . . .
H13 H 0.4346 1.1886 0.0847 0.057 Uiso 1 1 calc R . .
C14 C 0.5316(3) 1.13158(19) 0.14524(17) 0.0442(10) Uani 1 1 d . . .
H14 H 0.5817 1.1648 0.1443 0.053 Uiso 1 1 calc R . .
C15 C 0.5472(2) 1.06930(17) 0.18226(15) 0.0337(8) Uani 1 1 d . . .
H15 H 0.6076 1.0606 0.2071 0.040 Uiso 1 1 calc R . .
C16 C 0.5469(2) 0.97216(17) 0.30207(13) 0.0228(7) Uani 1 1 d . . .
C17 C 0.5334(2) 1.04679(18) 0.31770(15) 0.0323(8) Uani 1 1 d . . .
H17 H 0.4972 1.0808 0.2896 0.039 Uiso 1 1 calc R . .
C18 C 0.5728(3) 1.0719(2) 0.37457(17) 0.0426(9) Uani 1 1 d . . .
H18 H 0.5620 1.1227 0.3851 0.051 Uiso 1 1 calc R . .
C19 C 0.6274(3) 1.0242(2) 0.41561(16) 0.0442(10) Uani 1 1 d . . .
H19 H 0.6548 1.0419 0.4541 0.053 Uiso 1 1 calc R . .
C20 C 0.6416(2) 0.9507(2) 0.40008(15) 0.0376(9) Uani 1 1 d . . .
H20 H 0.6796 0.9175 0.4280 0.045 Uiso 1 1 calc R . .
C21 C 0.6013(2) 0.92455(18) 0.34438(14) 0.0292(8) Uani 1 1 d . . .
H21 H 0.6108 0.8731 0.3347 0.035 Uiso 1 1 calc R . .
C22 C 0.2361(2) 0.81056(17) 0.23683(14) 0.0255(7) Uani 1 1 d . . .
C23 C 0.2261(2) 0.89029(17) 0.22254(13) 0.0233(7) Uani 1 1 d . . .
C24 C 0.2849(2) 0.93195(16) 0.26875(14) 0.0247(7) Uani 1 1 d . . .
C25 C 0.3325(2) 0.87884(18) 0.31205(13) 0.0260(7) Uani 1 1 d . . .
C26 C 0.3014(2) 0.80461(17) 0.29193(14) 0.0259(7) Uani 1 1 d . . .
C27 C 0.1750(2) 0.7473(2) 0.20569(18) 0.0450(10) Uani 1 1 d . . .
H27A H 0.1505 0.7608 0.1645 0.067 Uiso 1 1 calc R . .
H27B H 0.1231 0.7395 0.2236 0.067 Uiso 1 1 calc R . .
H27C H 0.2116 0.7003 0.2087 0.067 Uiso 1 1 calc R . .
C28 C 0.1562(2) 0.9247(2) 0.17162(16) 0.0413(9) Uani 1 1 d . . .
H28A H 0.1419 0.8882 0.1392 0.062 Uiso 1 1 calc R . .
H28B H 0.1820 0.9713 0.1592 0.062 Uiso 1 1 calc R . .
H28C H 0.0990 0.9370 0.1832 0.062 Uiso 1 1 calc R . .
C29 C 0.2844(2) 1.01684(18) 0.27622(17) 0.0400(9) Uani 1 1 d . . .
H29A H 0.3450 1.0335 0.3005 0.060 Uiso 1 1 calc R . .
H29B H 0.2354 1.0310 0.2952 0.060 Uiso 1 1 calc R . .
H29C H 0.2724 1.0415 0.2379 0.060 Uiso 1 1 calc R . .
C30 C 0.3896(2) 0.8989(2) 0.37223(15) 0.0420(9) Uani 1 1 d . . .
H30A H 0.4230 0.9467 0.3707 0.063 Uiso 1 1 calc R . .
H30B H 0.4346 0.8580 0.3869 0.063 Uiso 1 1 calc R . .
H30C H 0.3485 0.9049 0.3983 0.063 Uiso 1 1 calc R . .
C31 C 0.3228(3) 0.7333(2) 0.32773(17) 0.0456(10) Uani 1 1 d . . .
H31A H 0.3875 0.7350 0.3514 0.068 Uiso 1 1 calc R . .
H31B H 0.3142 0.6890 0.3018 0.068 Uiso 1 1 calc R . .
H31C H 0.2807 0.7294 0.3534 0.068 Uiso 1 1 calc R . .
C32 C 0.39250(19) 0.66109(15) 0.01762(12) 0.0192(6) Uani 1 1 d . . .
C33 C 0.4317(2) 0.61132(17) -0.01577(13) 0.0264(7) Uani 1 1 d . . .
H33 H 0.4713 0.5715 0.0034 0.032 Uiso 1 1 calc R . .
C34 C 0.4146(2) 0.61819(18) -0.07531(13) 0.0272(7) Uani 1 1 d . . .
H34 H 0.4425 0.5830 -0.0962 0.033 Uiso 1 1 calc R . .
C35 C 0.3573(2) 0.67541(17) -0.10598(13) 0.0235(7) Uani 1 1 d . . .
C36 C 0.3203(2) 0.72621(16) -0.07328(13) 0.0227(7) Uani 1 1 d . . .
H36 H 0.2822 0.7666 -0.0929 0.027 Uiso 1 1 calc R . .
C37 C 0.33647(19) 0.72081(16) -0.01273(13) 0.0207(7) Uani 1 1 d . . .
C38 C 0.3351(2) 0.68040(19) -0.17174(13) 0.0311(8) Uani 1 1 d . . .
H38A H 0.3891 0.6633 -0.1850 0.047 Uiso 1 1 calc R . .
H38B H 0.3204 0.7333 -0.1840 0.047 Uiso 1 1 calc R . .
H38C H 0.2814 0.6479 -0.1889 0.047 Uiso 1 1 calc R . .
C39 C 0.41164(19) 0.58094(16) 0.10079(13) 0.0199(6) Uani 1 1 d . . .
C40 C 0.46960(19) 0.56031(15) 0.15547(12) 0.0181(6) Uani 1 1 d . . .
C41 C 0.4659(2) 0.48672(16) 0.17764(13) 0.0213(7) Uani 1 1 d . . .
H41 H 0.5048 0.4748 0.2151 0.026 Uiso 1 1 calc R . .
C42 C 0.4078(2) 0.43091(16) 0.14708(14) 0.0246(7) Uani 1 1 d . . .
C43 C 0.3511(2) 0.45154(17) 0.09309(15) 0.0306(8) Uani 1 1 d . . .
H43 H 0.3101 0.4145 0.0711 0.037 Uiso 1 1 calc R . .
C44 C 0.3518(2) 0.52324(17) 0.07016(14) 0.0293(7) Uani 1 1 d . . .
H44 H 0.3113 0.5345 0.0330 0.035 Uiso 1 1 calc R . .
C45 C 0.4074(2) 0.35099(17) 0.17013(16) 0.0339(8) Uani 1 1 d . . .
H45A H 0.3430 0.3326 0.1623 0.051 Uiso 1 1 calc R . .
H45B H 0.4357 0.3508 0.2123 0.051 Uiso 1 1 calc R . .
H45C H 0.4431 0.3176 0.1507 0.051 Uiso 1 1 calc R . .
C46 C 0.1762(2) 0.6752(2) 0.05754(18) 0.0474(10) Uani 1 1 d . . .
H46A H 0.2181 0.6772 0.0969 0.071 Uiso 1 1 calc R . .
H46B H 0.1996 0.6376 0.0341 0.071 Uiso 1 1 calc R . .
H46C H 0.1136 0.6606 0.0599 0.071 Uiso 1 1 calc R . .
C47 C 0.1068(2) 0.7525(2) -0.03245(16) 0.0479(10) Uani 1 1 d . . .
H47A H 0.1048 0.8033 -0.0499 0.072 Uiso 1 1 calc R . .
H47B H 0.0441 0.7380 -0.0302 0.072 Uiso 1 1 calc R . .
H47C H 0.1295 0.7155 -0.0566 0.072 Uiso 1 1 calc R . .
C48 C 0.1724(2) 0.75355(19) 0.02892(15) 0.0355(8) Uani 1 1 d . . .
H48 H 0.1451 0.7896 0.0527 0.043 Uiso 1 1 calc R . .
C49 C 0.2170(3) 0.9335(2) 0.01911(17) 0.0477(10) Uani 1 1 d . . .
H49A H 0.1573 0.9100 0.0194 0.072 Uiso 1 1 calc R . .
H49B H 0.2057 0.9808 -0.0036 0.072 Uiso 1 1 calc R . .
H49C H 0.2520 0.9449 0.0593 0.072 Uiso 1 1 calc R . .
C50 C 0.3662(3) 0.9138(2) -0.01024(17) 0.0454(10) Uani 1 1 d . . .
H50A H 0.4012 0.8783 -0.0285 0.068 Uiso 1 1 calc R . .
H50B H 0.4023 0.9250 0.0297 0.068 Uiso 1 1 calc R . .
H50C H 0.3550 0.9612 -0.0329 0.068 Uiso 1 1 calc R . .
C51 C 0.2736(2) 0.87826(18) -0.00876(15) 0.0353(8) Uani 1 1 d . . .
H51 H 0.2374 0.8675 -0.0498 0.042 Uiso 1 1 calc R . .
C52 C 0.4852(3) 0.6139(2) 0.29139(16) 0.0457(10) Uani 1 1 d . . .
H52A H 0.4373 0.5804 0.2677 0.068 Uiso 1 1 calc R . .
H52B H 0.4630 0.6667 0.2872 0.068 Uiso 1 1 calc R . .
H52C H 0.4982 0.5987 0.3325 0.068 Uiso 1 1 calc R . .
C53 C 0.6503(3) 0.6585(2) 0.30721(16) 0.0552(11) Uani 1 1 d . . .
H53A H 0.7069 0.6532 0.2934 0.083 Uiso 1 1 calc R . .
H53B H 0.6637 0.6434 0.3484 0.083 Uiso 1 1 calc R . .
H53C H 0.6296 0.7118 0.3032 0.083 Uiso 1 1 calc R . .
C54 C 0.5737(2) 0.60753(18) 0.27083(13) 0.0286(7) Uani 1 1 d . . .
H54 H 0.5956 0.5535 0.2756 0.034 Uiso 1 1 calc R . .
C55 C 0.7004(2) 0.53085(18) 0.19472(15) 0.0340(8) Uani 1 1 d . . .
H55A H 0.7079 0.5260 0.2369 0.051 Uiso 1 1 calc R . .
H55B H 0.7611 0.5245 0.1861 0.051 Uiso 1 1 calc R . .
H55C H 0.6574 0.4915 0.1742 0.051 Uiso 1 1 calc R . .
C56 C 0.6502(2) 0.6187(2) 0.10910(16) 0.0428(10) Uani 1 1 d . . .
H56A H 0.6256 0.6696 0.0969 0.064 Uiso 1 1 calc R . .
H56B H 0.6070 0.5800 0.0878 0.064 Uiso 1 1 calc R . .
H56C H 0.7110 0.6125 0.1005 0.064 Uiso 1 1 calc R . .
C57 C 0.6614(2) 0.60934(17) 0.17450(14) 0.0274(7) Uani 1 1 d . . .
H57 H 0.7087 0.6476 0.1947 0.033 Uiso 1 1 calc R . .
C58 C 0.4233(3) 0.6184(2) 0.49730(16) 0.0430(9) Uani 1 1 d . . .
H58A H 0.3976 0.5836 0.5221 0.052 Uiso 1 1 calc R . .
H58B H 0.4840 0.6381 0.5206 0.052 Uiso 1 1 calc R . .
C59 C 0.4357(3) 0.5770(2) 0.44418(17) 0.0521(11) Uani 1 1 d . . .
H59A H 0.4788 0.5343 0.4564 0.078 Uiso 1 1 calc R . .
H59B H 0.4611 0.6121 0.4200 0.078 Uiso 1 1 calc R . .
H59C H 0.3752 0.5577 0.4216 0.078 Uiso 1 1 calc R . .
C60 C 0.3381(3) 0.7196(2) 0.52215(19) 0.0642(13) Uani 1 1 d . . .
H60A H 0.3953 0.7390 0.5498 0.077 Uiso 1 1 calc R . .
H60B H 0.3055 0.6859 0.5440 0.077 Uiso 1 1 calc R . .
C61 C 0.2774(4) 0.7837(2) 0.4973(2) 0.0769(15) Uani 1 1 d . . .
H61A H 0.2613 0.8124 0.5288 0.115 Uiso 1 1 calc R . .
H61B H 0.2204 0.7643 0.4705 0.115 Uiso 1 1 calc R . .
H61C H 0.3101 0.8172 0.4760 0.115 Uiso 1 1 calc R . .
P1 P 0.49325(5) 0.93235(4) 0.22893(3) 0.01894(17) Uani 1 1 d . . .
P2 P 0.29203(6) 0.78791(5) 0.03219(4) 0.02490(19) Uani 1 1 d . . .
P3 P 0.55042(5) 0.63316(4) 0.19318(3) 0.01803(17) Uani 1 1 d . . .
Y1 Y 0.442198(18) 0.766032(15) 0.138389(12) 0.01589(8) Uani 1 1 d . . .
Ru1 Ru 0.371123(15) 0.854845(13) 0.226782(10) 0.01660(7) Uani 1 1 d . . .
N1 N 0.55354(16) 0.83168(13) 0.11888(10) 0.0202(5) Uani 1 1 d . . .
N2 N 0.41119(16) 0.65519(13) 0.07897(10) 0.0201(5) Uani 1 1 d . . .
O1 O 0.3619(2) 0.67846(15) 0.47771(11) 0.0579(8) Uani 1 1 d . . .
H1RU H 0.4411(18) 0.7821(15) 0.2286(12) 0.019(7) Uiso 1 1 d . . .
H2RU H 0.347(2) 0.8550(16) 0.1581(13) 0.034(9) 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'
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'
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'
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
C2 C1 P1 120.8(2) . .
N1 C2 C3 113.2(2) . .
N1 C2 C1 111.6(2) . .
C3 C2 C1 106.6(2) . .
C8 C3 C4 117.2(3) . .
C8 C3 C2 120.5(3) . .
C4 C3 C2 122.2(3) . .
C3 C4 C5 120.7(3) . .
C6 C5 C4 120.6(3) . .
C5 C6 C7 119.8(3) . .
C6 C7 C8 119.5(3) . .
C7 C8 C3 122.2(3) . .
C11 C10 C15 118.4(3) . .
C11 C10 P1 119.6(2) . .
C15 C10 P1 121.9(2) . .
C10 C11 C12 121.2(3) . .
C13 C12 C11 119.6(4) . .
C14 C13 C12 120.0(3) . .
C13 C14 C15 120.6(3) . .
C14 C15 C10 120.3(3) . .
C17 C16 C21 118.1(3) . .
C17 C16 P1 123.3(3) . .
C21 C16 P1 118.6(2) . .
C16 C17 C18 120.1(3) . .
C19 C18 C17 120.9(3) . .
C20 C19 C18 119.0(3) . .
C19 C20 C21 120.7(4) . .
C20 C21 C16 121.2(3) . .
C26 C22 C23 107.1(3) . .
C26 C22 C27 125.6(3) . .
C23 C22 C27 126.2(3) . .
C26 C22 Ru1 72.63(17) . .
C23 C22 Ru1 71.10(16) . .
C27 C22 Ru1 130.9(2) . .
C24 C23 C22 108.3(3) . .
C24 C23 C28 125.2(3) . .
C22 C23 C28 126.1(3) . .
C24 C23 Ru1 73.19(16) . .
C22 C23 Ru1 71.07(16) . .
C28 C23 Ru1 127.7(2) . .
C23 C24 C25 108.1(3) . .
C23 C24 C29 125.7(3) . .
C25 C24 C29 125.3(3) . .
C23 C24 Ru1 69.97(16) . .
C25 C24 Ru1 72.18(16) . .
C29 C24 Ru1 131.8(2) . .
C26 C25 C24 107.3(3) . .
C26 C25 C30 126.0(3) . .
C24 C25 C30 125.6(3) . .
C26 C25 Ru1 70.58(17) . .
C24 C25 Ru1 71.04(16) . .
C30 C25 Ru1 132.6(2) . .
C22 C26 C25 109.2(3) . .
C22 C26 C31 125.4(3) . .
C25 C26 C31 124.8(3) . .
C22 C26 Ru1 70.41(16) . .
C25 C26 Ru1 72.75(17) . .
C31 C26 Ru1 130.4(2) . .
C33 C32 N2 122.4(3) . .
C33 C32 C37 116.8(3) . .
N2 C32 C37 120.8(2) . .
C34 C33 C32 122.1(3) . .
C33 C34 C35 121.7(3) . .
C36 C35 C34 116.7(3) . .
C36 C35 C38 121.8(3) . .
C34 C35 C38 121.5(3) . .
C35 C36 C37 122.9(3) . .
C36 C37 C32 119.8(3) . .
C36 C37 P2 124.3(2) . .
C32 C37 P2 115.9(2) . .
N2 C39 C40 121.5(2) . .
N2 C39 C44 122.2(3) . .
C40 C39 C44 116.3(3) . .
C41 C40 C39 120.6(3) . .
C41 C40 P3 123.2(2) . .
C39 C40 P3 116.2(2) . .
C42 C41 C40 122.5(3) . .
C41 C42 C43 116.6(3) . .
C41 C42 C45 122.0(3) . .
C43 C42 C45 121.3(3) . .
C44 C43 C42 122.7(3) . .
C43 C44 C39 121.3(3) . .
C46 C48 C47 110.7(3) . .
C46 C48 P2 110.3(2) . .
C47 C48 P2 114.4(3) . .
C50 C51 C49 110.4(3) . .
C50 C51 P2 110.7(2) . .
C49 C51 P2 109.9(2) . .
C52 C54 C53 110.9(3) . .
C52 C54 P3 110.3(2) . .
C53 C54 P3 110.0(2) . .
C55 C57 C56 110.5(3) . .
C55 C57 P3 114.7(2) . .
C56 C57 P3 110.2(2) . .
O1 C58 C59 107.3(3) . .
O1 C60 C61 110.0(4) . .
C10 P1 C16 101.59(14) . .
C10 P1 C1 99.37(13) . .
C16 P1 C1 96.27(13) . .
C10 P1 Ru1 119.02(10) . .
C16 P1 Ru1 113.53(9) . .
C1 P1 Ru1 122.87(10) . .
C37 P2 C51 106.01(14) . .
C37 P2 C48 104.57(14) . .
C51 P2 C48 104.26(16) . .
C37 P2 Y1 96.16(9) . .
C51 P2 Y1 122.88(11) . .
C48 P2 Y1 120.14(12) . .
C40 P3 C54 104.46(14) . .
C40 P3 C57 103.75(13) . .
C54 P3 C57 103.47(15) . .
C40 P3 Y1 97.10(9) . .
C54 P3 Y1 125.24(10) . .
C57 P3 Y1 119.38(10) . .
N1 Y1 N2 110.64(8) . .
N1 Y1 P2 101.65(7) . .
N2 Y1 P2 66.99(6) . .
N1 Y1 P3 98.98(6) . .
N2 Y1 P3 67.22(6) . .
P2 Y1 P3 133.89(2) . .
N1 Y1 Ru1 107.27(6) . .
N2 Y1 Ru1 141.89(6) . .
P2 Y1 Ru1 101.794(18) . .
P3 Y1 Ru1 110.680(18) . .
C22 Ru1 C23 37.83(11) . .
C22 Ru1 C26 36.96(11) . .
C23 Ru1 C26 61.85(11) . .
C22 Ru1 P1 162.06(8) . .
C23 Ru1 P1 126.65(8) . .
C26 Ru1 P1 136.88(9) . .
C22 Ru1 C24 62.19(10) . .
C23 Ru1 C24 36.84(11) . .
C26 Ru1 C24 61.32(11) . .
P1 Ru1 C24 99.89(8) . .
C22 Ru1 C25 61.94(11) . .
C23 Ru1 C25 61.70(11) . .
C26 Ru1 C25 36.66(11) . .
P1 Ru1 C25 104.61(8) . .
C24 Ru1 C25 36.78(11) . .
C22 Ru1 Y1 112.39(8) . .
C23 Ru1 Y1 128.54(8) . .
C26 Ru1 Y1 125.46(8) . .
P1 Ru1 Y1 84.53(2) . .
C24 Ru1 Y1 162.73(8) . .
C25 Ru1 Y1 157.85(8) . .
C2 N1 C9 110.6(2) . .
C2 N1 Y1 132.02(18) . .
C9 N1 Y1 117.12(18) . .
C39 N2 C32 115.4(2) . .
C39 N2 Y1 124.12(18) . .
C32 N2 Y1 120.47(17) . .
C58 O1 C60 114.3(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.536(4) .
C1 P1 1.871(3) .
C2 N1 1.459(4) .
C2 C3 1.526(4) .
C3 C8 1.385(4) .
C3 C4 1.391(4) .
C4 C5 1.393(5) .
C5 C6 1.366(5) .
C6 C7 1.375(5) .
C7 C8 1.385(4) .
C9 N1 1.463(4) .
C10 C11 1.374(4) .
C10 C15 1.395(4) .
C10 P1 1.848(3) .
C11 C12 1.391(5) .
C12 C13 1.376(5) .
C13 C14 1.367(5) .
C14 C15 1.383(5) .
C16 C17 1.389(4) .
C16 C21 1.392(4) .
C16 P1 1.848(3) .
C17 C18 1.396(5) .
C18 C19 1.378(5) .
C19 C20 1.371(5) .
C20 C21 1.380(4) .
C22 C26 1.415(5) .
C22 C23 1.438(4) .
C22 C27 1.502(4) .
C22 Ru1 2.218(3) .
C23 C24 1.416(4) .
C23 C28 1.501(4) .
C23 Ru1 2.219(3) .
C24 C25 1.431(4) .
C24 C29 1.500(4) .
C24 Ru1 2.260(3) .
C25 C26 1.423(4) .
C25 C30 1.501(4) .
C25 Ru1 2.275(3) .
C26 C31 1.498(4) .
C26 Ru1 2.247(3) .
C32 C33 1.401(4) .
C32 N2 1.412(4) .
C32 C37 1.414(4) .
C33 C34 1.373(4) .
C34 C35 1.393(4) .
C35 C36 1.383(4) .
C35 C38 1.510(4) .
C36 C37 1.395(4) .
C37 P2 1.820(3) .
C39 N2 1.401(4) .
C39 C40 1.406(4) .
C39 C44 1.418(4) .
C40 C41 1.400(4) .
C40 P3 1.822(3) .
C41 C42 1.381(4) .
C42 C43 1.386(4) .
C42 C45 1.505(4) .
C43 C44 1.371(4) .
C46 C48 1.526(5) .
C47 C48 1.528(5) .
C48 P2 1.858(3) .
C49 C51 1.538(4) .
C50 C51 1.518(5) .
C51 P2 1.842(3) .
C52 C54 1.517(5) .
C53 C54 1.528(5) .
C54 P3 1.838(3) .
C55 C57 1.523(4) .
C56 C57 1.524(5) .
C57 P3 1.859(3) .
C58 O1 1.392(4) .
C58 C59 1.505(5) .
C60 O1 1.395(4) .
C60 C61 1.465(6) .
P1 Ru1 2.2562(8) .
P2 Y1 2.9266(9) .
P3 Y1 2.9375(8) .
Y1 N1 2.159(2) .
Y1 N2 2.375(2) .
Y1 Ru1 3.0096(4) .
