#------------------------------------------------------------------------------
#$Date: 2015-11-29 11:19:43 +0200 (Sun, 29 Nov 2015) $
#$Revision: 170612 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/63/4086353.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_4086353
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            'C54 H78 N2 P3 Ru Y'
_chemical_formula_weight         1038.07
_chemical_name_common            PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2tBuNC)
_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                94.799(5)
_cell_angle_beta                 95.935(4)
_cell_angle_gamma                99.340(5)
_cell_formula_units_Z            2
_cell_length_a                   12.5301(12)
_cell_length_b                   14.5762(15)
_cell_length_c                   15.3222(14)
_cell_measurement_reflns_used    41199
_cell_measurement_temperature    163(2)
_cell_measurement_theta_max      25.17
_cell_measurement_theta_min      1.45
_cell_volume                     2732.1(5)
_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 0.974
_diffrn_measured_fraction_theta_max 0.974
_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  0.1401
_diffrn_reflns_av_sigmaI/netI    0.1481
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            41199
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    1.455
_exptl_absorpt_correction_T_max  0.9308
_exptl_absorpt_correction_T_min  0.7215
_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    1.262
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.902
_refine_diff_density_min         -0.853
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     508
_refine_ls_number_reflns         9357
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.1496
_refine_ls_R_factor_gt           0.0641
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0599P)²+2.4316P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1170
_refine_ls_wR_factor_ref         0.1449
_reflns_number_gt                5408
_reflns_number_total             9357
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om401216v_si_002.cif
_cod_data_source_block           8b-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_database_code               4086353
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 0.1393(5) 0.7100(5) 0.0737(4) 0.0340(18) Uani 1 1 d . . .
H1A H 0.0842 0.7458 0.0498 0.041 Uiso 1 1 calc R . .
H1B H 0.1307 0.6495 0.0370 0.041 Uiso 1 1 calc R . .
C2 C 0.1275(5) 0.6951(5) 0.1675(4) 0.0310(17) Uani 1 1 d . . .
C3 C -0.0239(6) 0.7750(6) 0.2142(4) 0.045(2) Uani 1 1 d . . .
C4 C -0.0738(5) 0.7700(6) 0.3001(4) 0.047(2) Uani 1 1 d . . .
H4A H -0.1013 0.7046 0.3076 0.070 Uiso 1 1 calc R . .
H4B H -0.1340 0.8054 0.2988 0.070 Uiso 1 1 calc R . .
H4C H -0.0183 0.7968 0.3495 0.070 Uiso 1 1 calc R . .
C5 C 0.0185(7) 0.8762(7) 0.2012(5) 0.068(3) Uani 1 1 d . . .
H5A H 0.0764 0.9029 0.2488 0.102 Uiso 1 1 calc R . .
H5B H -0.0411 0.9122 0.2021 0.102 Uiso 1 1 calc R . .
H5C H 0.0476 0.8789 0.1443 0.102 Uiso 1 1 calc R . .
C6 C -0.1084(6) 0.7259(8) 0.1387(5) 0.080(3) Uani 1 1 d . . .
H6A H -0.0772 0.7298 0.0828 0.120 Uiso 1 1 calc R . .
H6B H -0.1728 0.7562 0.1365 0.120 Uiso 1 1 calc R . .
H6C H -0.1294 0.6601 0.1484 0.120 Uiso 1 1 calc R . .
C7 C 0.2430(5) 0.8924(5) 0.0577(4) 0.0285(17) Uani 1 1 d . . .
C8 C 0.2827(5) 0.9696(5) 0.1202(4) 0.0353(18) Uani 1 1 d . . .
H8 H 0.3338 0.9635 0.1687 0.042 Uiso 1 1 calc R . .
C9 C 0.2487(6) 1.0544(6) 0.1122(5) 0.051(2) Uani 1 1 d . . .
H9 H 0.2757 1.1060 0.1552 0.061 Uiso 1 1 calc R . .
C10 C 0.1759(6) 1.0638(6) 0.0416(5) 0.051(2) Uani 1 1 d . . .
H10 H 0.1529 1.1222 0.0363 0.061 Uiso 1 1 calc R . .
C11 C 0.1356(6) 0.9910(6) -0.0211(5) 0.046(2) Uani 1 1 d . . .
H11 H 0.0851 0.9989 -0.0694 0.056 Uiso 1 1 calc R . .
C12 C 0.1688(5) 0.9057(6) -0.0141(4) 0.0367(19) Uani 1 1 d . . .
H12 H 0.1413 0.8553 -0.0583 0.044 Uiso 1 1 calc R . .
C13 C 0.3113(5) 0.7354(5) -0.0348(4) 0.0300(18) Uani 1 1 d . . .
C14 C 0.3355(5) 0.7919(6) -0.1016(4) 0.0383(19) Uani 1 1 d . . .
H14 H 0.3333 0.8569 -0.0932 0.046 Uiso 1 1 calc R . .
C15 C 0.3628(6) 0.7531(7) -0.1802(4) 0.054(2) Uani 1 1 d . . .
H15 H 0.3813 0.7924 -0.2247 0.065 Uiso 1 1 calc R . .
C16 C 0.3636(6) 0.6602(8) -0.1948(5) 0.059(3) Uani 1 1 d . . .
H16 H 0.3792 0.6344 -0.2501 0.071 Uiso 1 1 calc R . .
C17 C 0.3419(6) 0.6038(6) -0.1293(5) 0.054(2) Uani 1 1 d . . .
H17 H 0.3453 0.5391 -0.1383 0.064 Uiso 1 1 calc R . .
C18 C 0.3149(5) 0.6411(5) -0.0501(4) 0.0388(19) Uani 1 1 d . . .
H18 H 0.2985 0.6013 -0.0055 0.047 Uiso 1 1 calc R . .
C19 C 0.5684(5) 0.8085(5) 0.2760(4) 0.0267(16) Uani 1 1 d . . .
C20 C 0.5560(5) 0.8840(6) 0.2260(4) 0.0373(19) Uani 1 1 d . . .
C21 C 0.5543(5) 0.8522(7) 0.1361(4) 0.043(2) Uani 1 1 d . . .
C22 C 0.5646(5) 0.7565(7) 0.1298(4) 0.046(2) Uani 1 1 d . . .
C23 C 0.5734(5) 0.7285(5) 0.2173(4) 0.0303(17) Uani 1 1 d . . .
C24 C 0.5884(5) 0.8139(6) 0.3759(4) 0.044(2) Uani 1 1 d . . .
H24A H 0.6663 0.8339 0.3952 0.065 Uiso 1 1 calc R . .
H24B H 0.5641 0.7523 0.3950 0.065 Uiso 1 1 calc R . .
H24C H 0.5476 0.8591 0.4018 0.065 Uiso 1 1 calc R . .
C25 C 0.5607(6) 0.9828(5) 0.2640(5) 0.055(2) Uani 1 1 d . . .
H25A H 0.6369 1.0123 0.2811 0.083 Uiso 1 1 calc R . .
H25B H 0.5214 0.9832 0.3160 0.083 Uiso 1 1 calc R . .
H25C H 0.5269 1.0175 0.2198 0.083 Uiso 1 1 calc R . .
C26 C 0.5552(7) 0.9127(7) 0.0621(5) 0.074(3) Uani 1 1 d . . .
H26A H 0.6303 0.9420 0.0576 0.111 Uiso 1 1 calc R . .
H26B H 0.5113 0.9613 0.0734 0.111 Uiso 1 1 calc R . .
H26C H 0.5248 0.8745 0.0067 0.111 Uiso 1 1 calc R . .
C27 C 0.5799(6) 0.6956(7) 0.0472(5) 0.080(4) Uani 1 1 d . . .
H27A H 0.5430 0.7169 -0.0049 0.121 Uiso 1 1 calc R . .
H27B H 0.5487 0.6304 0.0521 0.121 Uiso 1 1 calc R . .
H27C H 0.6578 0.7006 0.0416 0.121 Uiso 1 1 calc R . .
C28 C 0.5960(6) 0.6356(6) 0.2442(5) 0.057(2) Uani 1 1 d . . .
H28A H 0.6749 0.6372 0.2537 0.085 Uiso 1 1 calc R . .
H28B H 0.5632 0.5859 0.1975 0.085 Uiso 1 1 calc R . .
H28C H 0.5647 0.6233 0.2990 0.085 Uiso 1 1 calc R . .
C29 C 0.3545(5) 0.6464(5) 0.4754(4) 0.0244(6) Uani 1 1 d . . .
C30 C 0.4517(5) 0.6164(5) 0.5048(3) 0.0244(6) Uani 1 1 d . . .
H30 H 0.4662 0.5591 0.4784 0.029 Uiso 1 1 calc R . .
C31 C 0.5269(5) 0.6670(5) 0.5703(3) 0.0244(6) Uani 1 1 d . . .
H31 H 0.5903 0.6428 0.5894 0.029 Uiso 1 1 calc R . .
C32 C 0.5118(5) 0.7526(5) 0.6090(3) 0.0244(6) Uani 1 1 d . . .
C33 C 0.4189(5) 0.7859(5) 0.5778(3) 0.0244(6) Uani 1 1 d . . .
H33 H 0.4085 0.8455 0.6019 0.029 Uiso 1 1 calc R . .
C34 C 0.3392(5) 0.7351(5) 0.5120(4) 0.0244(6) Uani 1 1 d . . .
C35 C 0.5941(5) 0.8070(5) 0.6827(4) 0.0362(19) Uani 1 1 d . . .
H35A H 0.5699 0.7938 0.7399 0.054 Uiso 1 1 calc R . .
H35B H 0.6001 0.8741 0.6771 0.054 Uiso 1 1 calc R . .
H35C H 0.6652 0.7883 0.6787 0.054 Uiso 1 1 calc R . .
C36 C 0.2473(5) 0.4991(5) 0.4188(4) 0.0267(7) Uani 1 1 d . . .
C37 C 0.1955(5) 0.4339(5) 0.3461(4) 0.0267(7) Uani 1 1 d . . .
C38 C 0.1667(5) 0.3401(5) 0.3562(4) 0.0267(7) Uani 1 1 d . . .
H38 H 0.1332 0.2988 0.3060 0.032 Uiso 1 1 calc R . .
C39 C 0.1842(5) 0.3033(5) 0.4359(4) 0.0267(7) Uani 1 1 d . . .
C40 C 0.2291(5) 0.3675(5) 0.5081(4) 0.0267(7) Uani 1 1 d . . .
H40 H 0.2388 0.3456 0.5645 0.032 Uiso 1 1 calc R . .
C41 C 0.2595(5) 0.4601(5) 0.5012(4) 0.0267(7) Uani 1 1 d . . .
H41 H 0.2898 0.5004 0.5528 0.032 Uiso 1 1 calc R . .
C42 C 0.1585(6) 0.2012(5) 0.4433(4) 0.0400(19) Uani 1 1 d . . .
H42A H 0.1082 0.1708 0.3920 0.060 Uiso 1 1 calc R . .
H42B H 0.1246 0.1907 0.4973 0.060 Uiso 1 1 calc R . .
H42C H 0.2258 0.1749 0.4455 0.060 Uiso 1 1 calc R . .
C43 C 0.3378(6) 0.9531(5) 0.4479(4) 0.047(2) Uani 1 1 d . . .
H43A H 0.3122 0.9439 0.3846 0.070 Uiso 1 1 calc R . .
H43B H 0.4033 0.9252 0.4591 0.070 Uiso 1 1 calc R . .
H43C H 0.3548 1.0202 0.4675 0.070 Uiso 1 1 calc R . .
C44 C 0.1465(6) 0.9508(6) 0.4839(5) 0.054(2) Uani 1 1 d . . .
H44A H 0.1649 1.0181 0.5021 0.082 Uiso 1 1 calc R . .
H44B H 0.0914 0.9223 0.5190 0.082 Uiso 1 1 calc R . .
H44C H 0.1177 0.9404 0.4213 0.082 Uiso 1 1 calc R . .
C45 C 0.2490(5) 0.9065(5) 0.4986(4) 0.0295(17) Uani 1 1 d . . .
H45 H 0.2764 0.9172 0.5629 0.035 Uiso 1 1 calc R . .
C46 C 0.0685(5) 0.6318(5) 0.5072(4) 0.042(2) Uani 1 1 d . . .
H46A H 0.1247 0.5962 0.5271 0.063 Uiso 1 1 calc R . .
H46B H 0.0516 0.6200 0.4429 0.063 Uiso 1 1 calc R . .
H46C H 0.0026 0.6124 0.5350 0.063 Uiso 1 1 calc R . .
C47 C 0.1402(6) 0.7582(6) 0.6319(4) 0.053(2) Uani 1 1 d . . .
H47A H 0.0769 0.7374 0.6624 0.080 Uiso 1 1 calc R . .
H47B H 0.1632 0.8259 0.6455 0.080 Uiso 1 1 calc R . .
H47C H 0.2000 0.7263 0.6517 0.080 Uiso 1 1 calc R . .
C48 C 0.1096(5) 0.7349(5) 0.5325(4) 0.0302(17) Uani 1 1 d . . .
H48 H 0.0473 0.7676 0.5159 0.036 Uiso 1 1 calc R . .
C49 C 0.1997(7) 0.3230(7) 0.1351(5) 0.070(2) Uani 1 1 d . . .
H49A H 0.2328 0.3028 0.0832 0.104 Uiso 1 1 calc R . .
H49B H 0.1202 0.3113 0.1213 0.104 Uiso 1 1 calc R . .
H49C H 0.2204 0.2881 0.1842 0.104 Uiso 1 1 calc R . .
C50 C 0.3602(6) 0.4424(7) 0.1908(5) 0.070(2) Uani 1 1 d . . .
H50A H 0.3745 0.4101 0.2433 0.104 Uiso 1 1 calc R . .
H50B H 0.3851 0.5097 0.2052 0.104 Uiso 1 1 calc R . .
H50C H 0.3994 0.4193 0.1437 0.104 Uiso 1 1 calc R . .
C51 C 0.2382(6) 0.4236(5) 0.1599(4) 0.0387(19) Uani 1 1 d . . .
H51 H 0.2285 0.4547 0.1045 0.046 Uiso 1 1 calc R . .
C52 C -0.0120(7) 0.4648(7) 0.1151(5) 0.073(3) Uani 1 1 d . . .
H52A H -0.0904 0.4437 0.0992 0.110 Uiso 1 1 calc R . .
H52B H 0.0278 0.4338 0.0730 0.110 Uiso 1 1 calc R . .
H52C H 0.0054 0.5326 0.1136 0.110 Uiso 1 1 calc R . .
C53 C -0.0459(5) 0.4836(6) 0.2724(4) 0.042(2) Uani 1 1 d . . .
H53A H -0.0310 0.5518 0.2733 0.063 Uiso 1 1 calc R . .
H53B H -0.0260 0.4660 0.3315 0.063 Uiso 1 1 calc R . .
H53C H -0.1236 0.4606 0.2541 0.063 Uiso 1 1 calc R . .
C54 C 0.0211(5) 0.4404(5) 0.2074(4) 0.0342(18) Uani 1 1 d . . .
H54 H 0.0068 0.3709 0.2076 0.041 Uiso 1 1 calc R . .
N1 N 0.0707(4) 0.7232(4) 0.2245(3) 0.0326(15) Uani 1 1 d . . .
N2 N 0.2779(4) 0.5933(4) 0.4094(3) 0.0224(13) Uani 1 1 d . . .
P1 P 0.28164(13) 0.77840(13) 0.07589(9) 0.0255(4) Uani 1 1 d . . .
P2 P 0.21964(13) 0.77944(13) 0.46632(10) 0.0244(4) Uani 1 1 d . . .
P3 P 0.16814(14) 0.48459(13) 0.24202(9) 0.0269(4) Uani 1 1 d . . .
Y1 Y 0.23540(5) 0.68389(5) 0.29307(3) 0.02317(19) Uani 1 1 d . . .
Ru1 Ru 0.41169(4) 0.77052(4) 0.18821(3) 0.02429(17) Uani 1 1 d . . .
H1RU H 0.329(5) 0.807(5) 0.256(4) 0.050 Uiso 1 1 d . . .
H2RU H 0.345(5) 0.662(5) 0.195(4) 0.050 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
C2 C1 P1 105.0(4) . .
N1 C2 C1 135.4(6) . .
N1 C2 Y1 79.7(4) . .
C1 C2 Y1 138.5(5) . .
N1 C3 C4 105.4(5) . .
N1 C3 C5 109.1(6) . .
C4 C3 C5 110.1(7) . .
N1 C3 C6 110.1(6) . .
C4 C3 C6 109.0(6) . .
C5 C3 C6 112.8(7) . .
C8 C7 C12 117.2(7) . .
C8 C7 P1 119.6(5) . .
C12 C7 P1 123.1(5) . .
C9 C8 C7 121.1(6) . .
C10 C9 C8 119.6(7) . .
C11 C10 C9 121.5(8) . .
C10 C11 C12 119.7(7) . .
C11 C12 C7 120.9(6) . .
C18 C13 C14 118.1(6) . .
C18 C13 P1 117.2(6) . .
C14 C13 P1 124.7(6) . .
C15 C14 C13 119.9(8) . .
C16 C15 C14 121.3(8) . .
C15 C16 C17 119.7(7) . .
C16 C17 C18 119.9(8) . .
C13 C18 C17 121.1(8) . .
C20 C19 C23 108.7(5) . .
C20 C19 C24 125.9(6) . .
C23 C19 C24 124.9(6) . .
C20 C19 Ru1 71.9(4) . .
C23 C19 Ru1 71.2(3) . .
C24 C19 Ru1 128.9(4) . .
C19 C20 C21 107.9(7) . .
C19 C20 C25 124.8(6) . .
C21 C20 C25 126.7(7) . .
C19 C20 Ru1 71.1(4) . .
C21 C20 Ru1 71.7(4) . .
C25 C20 Ru1 129.4(5) . .
C20 C21 C22 108.5(6) . .
C20 C21 C26 125.1(9) . .
C22 C21 C26 126.0(7) . .
C20 C21 Ru1 71.5(4) . .
C22 C21 Ru1 71.1(4) . .
C26 C21 Ru1 129.0(5) . .
C21 C22 C23 107.9(6) . .
C21 C22 C27 127.2(8) . .
C23 C22 C27 124.5(8) . .
C21 C22 Ru1 71.9(4) . .
C23 C22 Ru1 71.0(4) . .
C27 C22 Ru1 129.0(5) . .
C19 C23 C22 107.0(7) . .
C19 C23 C28 125.6(6) . .
C22 C23 C28 127.1(7) . .
C19 C23 Ru1 71.4(4) . .
C22 C23 Ru1 71.4(4) . .
C28 C23 Ru1 127.3(5) . .
C30 C29 N2 121.8(6) . .
C30 C29 C34 117.1(5) . .
N2 C29 C34 121.1(5) . .
C31 C30 C29 122.5(6) . .
C30 C31 C32 121.3(6) . .
C31 C32 C33 117.2(6) . .
C31 C32 C35 120.9(5) . .
C33 C32 C35 121.9(6) . .
C32 C33 C34 123.0(6) . .
C33 C34 C29 118.8(5) . .
C33 C34 P2 123.8(5) . .
C29 C34 P2 117.2(4) . .
N2 C36 C37 121.6(5) . .
N2 C36 C41 123.7(6) . .
C37 C36 C41 114.6(7) . .
C38 C37 C36 121.0(6) . .
C38 C37 P3 123.7(5) . .
C36 C37 P3 115.2(5) . .
C37 C38 C39 123.1(6) . .
C38 C39 C40 116.0(7) . .
C38 C39 C42 121.8(6) . .
C40 C39 C42 122.2(6) . .
C41 C40 C39 122.9(6) . .
C40 C41 C36 122.2(6) . .
C43 C45 C44 110.4(6) . .
C43 C45 P2 110.2(5) . .
C44 C45 P2 111.6(5) . .
C46 C48 C47 112.4(6) . .
C46 C48 P2 111.0(4) . .
C47 C48 P2 113.7(5) . .
C49 C51 C50 110.4(7) . .
C49 C51 P3 118.1(5) . .
C50 C51 P3 108.6(5) . .
C52 C54 C53 109.7(6) . .
C52 C54 P3 110.7(5) . .
C53 C54 P3 109.3(4) . .
C2 N1 C3 130.0(5) . .
C2 N1 Y1 68.9(3) . .
C3 N1 Y1 157.0(4) . .
C36 N2 C29 117.2(5) . .
C36 N2 Y1 131.6(4) . .
C29 N2 Y1 111.0(4) . .
C7 P1 C13 102.7(3) . .
C7 P1 C1 97.5(3) . .
C13 P1 C1 99.2(3) . .
C7 P1 Ru1 118.9(2) . .
C13 P1 Ru1 115.0(2) . .
C1 P1 Ru1 120.1(2) . .
C34 P2 C45 105.5(3) . .
C34 P2 C48 105.2(3) . .
C45 P2 C48 104.4(3) . .
C34 P2 Y1 89.68(18) . .
C45 P2 Y1 126.8(2) . .
C48 P2 Y1 120.6(2) . .
C37 P3 C51 106.3(3) . .
C37 P3 C54 103.8(3) . .
C51 P3 C54 104.3(3) . .
C37 P3 Y1 102.7(2) . .
C51 P3 Y1 120.3(2) . .
C54 P3 Y1 117.8(2) . .
C2 Y1 N2 147.8(2) . .
C2 Y1 N1 31.38(19) . .
N2 Y1 N1 134.55(18) . .
C2 Y1 P3 82.86(18) . .
N2 Y1 P3 67.79(13) . .
N1 Y1 P3 93.91(15) . .
C2 Y1 P2 124.66(18) . .
N2 Y1 P2 68.06(12) . .
N1 Y1 P2 94.55(13) . .
P3 Y1 P2 125.13(5) . .
C2 Y1 Ru1 81.88(18) . .
N2 Y1 Ru1 120.65(12) . .
N1 Y1 Ru1 104.71(13) . .
P3 Y1 Ru1 112.15(4) . .
P2 Y1 Ru1 117.65(4) . .
C23 Ru1 C19 37.4(2) . .
C23 Ru1 C22 37.5(2) . .
C19 Ru1 C22 62.1(2) . .
C23 Ru1 C20 62.3(3) . .
C19 Ru1 C20 36.9(2) . .
C22 Ru1 C20 62.0(3) . .
C23 Ru1 C21 62.2(3) . .
C19 Ru1 C21 61.6(2) . .
C22 Ru1 C21 37.0(3) . .
C20 Ru1 C21 36.8(2) . .
C23 Ru1 P1 142.40(17) . .
C19 Ru1 P1 158.64(19) . .
C22 Ru1 P1 107.56(17) . .
C20 Ru1 P1 122.15(19) . .
C21 Ru1 P1 98.56(17) . .
C23 Ru1 Y1 115.40(19) . .
C19 Ru1 Y1 109.23(17) . .
C22 Ru1 Y1 147.1(3) . .
C20 Ru1 Y1 131.75(17) . .
C21 Ru1 Y1 168.57(18) . .
P1 Ru1 Y1 89.36(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.489(8) .
C1 P1 1.893(7) .
C2 N1 1.266(8) .
C2 Y1 2.268(6) .
C3 N1 1.507(8) .
C3 C4 1.517(9) .
C3 C5 1.522(11) .
C3 C6 1.528(10) .
C7 C8 1.403(9) .
C7 C12 1.413(8) .
C7 P1 1.839(7) .
C8 C9 1.382(10) .
C9 C10 1.371(9) .
C10 C11 1.363(10) .
C11 C12 1.382(10) .
C13 C18 1.384(10) .
C13 C14 1.393(9) .
C13 P1 1.853(6) .
C14 C15 1.386(9) .
C15 C16 1.356(12) .
C16 C17 1.371(12) .
C17 C18 1.386(9) .
C19 C20 1.412(10) .
C19 C23 1.426(9) .
C19 C24 1.518(8) .
C19 Ru1 2.224(6) .
C20 C21 1.413(9) .
C20 C25 1.497(10) .
C20 Ru1 2.235(7) .
C21 C22 1.419(11) .
C21 C26 1.493(10) .
C21 Ru1 2.239(7) .
C22 C23 1.432(10) .
C22 C27 1.530(9) .
C22 Ru1 2.228(7) .
C23 C28 1.510(10) .
C23 Ru1 2.223(6) .
C29 C30 1.403(8) .
C29 N2 1.403(7) .
C29 C34 1.417(8) .
C30 C31 1.377(8) .
C31 C32 1.385(8) .
C32 C33 1.388(8) .
C32 C35 1.520(8) .
C33 C34 1.410(8) .
C34 P2 1.824(6) .
C36 N2 1.389(8) .
C36 C37 1.427(8) .
C36 C41 1.432(8) .
C37 C38 1.383(9) .
C37 P3 1.837(6) .
C38 C39 1.386(8) .
C39 C40 1.394(8) .
C39 C42 1.486(9) .
C40 C41 1.357(9) .
C43 C45 1.524(9) .
C44 C45 1.533(9) .
C45 P2 1.844(7) .
C46 C48 1.511(10) .
C47 C48 1.528(8) .
C48 P2 1.860(6) .
C49 C51 1.471(11) .
C50 C51 1.527(10) .
C51 P3 1.855(6) .
C52 C54 1.519(9) .
C53 C54 1.528(9) .
C54 P3 1.857(6) .
N1 Y1 2.393(5) .
N2 Y1 2.373(5) .
P1 Ru1 2.2680(16) .
P2 Y1 2.9332(16) .
P3 Y1 2.907(2) .
Y1 Ru1 3.0370(8) .
