#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/63/4086346.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_4086346
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 Ho N P3 Ru'
_chemical_formula_weight         1074.05
_chemical_name_common            PNP(iPr)Ho(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                99.566(3)
_cell_angle_beta                 102.976(2)
_cell_angle_gamma                113.597(2)
_cell_formula_units_Z            2
_cell_length_a                   12.525(2)
_cell_length_b                   13.197(2)
_cell_length_c                   18.157(3)
_cell_measurement_reflns_used    13862
_cell_measurement_temperature    163(2)
_cell_measurement_theta_max      28.05
_cell_measurement_theta_min      1.20
_cell_volume                     2567.5(7)
_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  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0499
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13862
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.20
_exptl_absorpt_coefficient_mu    1.950
_exptl_absorpt_correction_T_max  0.7204
_exptl_absorpt_correction_T_min  0.5923
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1102
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         3.147
_refine_diff_density_min         -0.693
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     547
_refine_ls_number_reflns         8923
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0324
_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)+(0.0409P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0783
_reflns_number_gt                7669
_reflns_number_total             8923
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om401216v_si_002.cif
_cod_data_source_block           2b-Ho
_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 measued' 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               4086346
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 0.3287(4) 0.9333(3) 0.3724(2) 0.0224(9) Uani 1 1 d . . .
H1A H 0.4060 0.9764 0.4175 0.027 Uiso 1 1 calc R . .
H1B H 0.2562 0.9160 0.3906 0.027 Uiso 1 1 calc R . .
C2 C 0.2439(4) 0.6852(3) 0.3450(2) 0.0227(9) Uani 1 1 d . . .
C3 C 0.1292(4) 0.6620(4) 0.3519(2) 0.0303(10) Uani 1 1 d . . .
H3 H 0.0930 0.7103 0.3387 0.036 Uiso 1 1 calc R . .
C4 C 0.0664(4) 0.5695(4) 0.3776(3) 0.0377(11) Uani 1 1 d . . .
H4 H -0.0123 0.5548 0.3820 0.045 Uiso 1 1 calc R . .
C5 C 0.1176(4) 0.4989(4) 0.3966(3) 0.0415(12) Uani 1 1 d . . .
H5 H 0.0747 0.4354 0.4144 0.050 Uiso 1 1 calc R . .
C6 C 0.2312(4) 0.5207(4) 0.3899(3) 0.0381(11) Uani 1 1 d . . .
H6 H 0.2664 0.4714 0.4026 0.046 Uiso 1 1 calc R . .
C7 C 0.2946(4) 0.6131(4) 0.3650(2) 0.0289(10) Uani 1 1 d . . .
H7 H 0.3737 0.6277 0.3614 0.035 Uiso 1 1 calc R . .
C8 C 0.4829(4) 0.8362(3) 0.3445(2) 0.0227(9) Uani 1 1 d . . .
C9 C 0.5463(4) 0.8637(4) 0.4242(2) 0.0275(9) Uani 1 1 d . . .
H9 H 0.5036 0.8631 0.4614 0.033 Uiso 1 1 calc R . .
C10 C 0.6695(4) 0.8917(4) 0.4504(3) 0.0334(10) Uani 1 1 d . . .
H10 H 0.7115 0.9115 0.5052 0.040 Uiso 1 1 calc R . .
C11 C 0.7315(4) 0.8909(4) 0.3966(3) 0.0346(11) Uani 1 1 d . . .
H11 H 0.8167 0.9109 0.4145 0.042 Uiso 1 1 calc R . .
C12 C 0.6707(4) 0.8613(4) 0.3173(3) 0.0339(10) Uani 1 1 d . . .
H12 H 0.7133 0.8592 0.2803 0.041 Uiso 1 1 calc R . .
C13 C 0.5468(4) 0.8344(3) 0.2914(2) 0.0245(9) Uani 1 1 d . . .
H13 H 0.5053 0.8145 0.2366 0.029 Uiso 1 1 calc R . .
C14 C 0.1794(4) 0.7200(4) 0.0481(2) 0.0341(11) Uani 1 1 d . . .
C15 C 0.0779(4) 0.6656(4) 0.0735(2) 0.0332(11) Uani 1 1 d . . .
C16 C 0.1033(4) 0.5991(4) 0.1216(2) 0.0330(10) Uani 1 1 d . . .
C17 C 0.2240(4) 0.6119(4) 0.1256(2) 0.0338(11) Uani 1 1 d . . .
C18 C 0.2706(4) 0.6861(4) 0.0809(2) 0.0325(10) Uani 1 1 d . . .
C19 C 0.1893(6) 0.7932(5) -0.0080(3) 0.0597(16) Uani 1 1 d . . .
H19A H 0.1762 0.7470 -0.0604 0.090 Uiso 1 1 calc R . .
H19B H 0.2714 0.8594 0.0112 0.090 Uiso 1 1 calc R . .
H19C H 0.1269 0.8207 -0.0113 0.090 Uiso 1 1 calc R . .
C20 C -0.0434(5) 0.6675(5) 0.0478(3) 0.0601(17) Uani 1 1 d . . .
H20A H -0.0312 0.7393 0.0343 0.090 Uiso 1 1 calc R . .
H20B H -0.0787 0.6631 0.0909 0.090 Uiso 1 1 calc R . .
H20C H -0.0995 0.6015 0.0016 0.090 Uiso 1 1 calc R . .
C21 C 0.0152(5) 0.5161(4) 0.1524(3) 0.0666(18) Uani 1 1 d . . .
H21A H -0.0352 0.4422 0.1113 0.100 Uiso 1 1 calc R . .
H21B H -0.0382 0.5476 0.1674 0.100 Uiso 1 1 calc R . .
H21C H 0.0613 0.5043 0.1986 0.100 Uiso 1 1 calc R . .
C22 C 0.2862(5) 0.5471(5) 0.1629(3) 0.0571(16) Uani 1 1 d . . .
H22A H 0.2668 0.4765 0.1233 0.086 Uiso 1 1 calc R . .
H22B H 0.2568 0.5269 0.2066 0.086 Uiso 1 1 calc R . .
H22C H 0.3755 0.5960 0.1829 0.086 Uiso 1 1 calc R . .
C23 C 0.3872(5) 0.7136(5) 0.0602(3) 0.0577(16) Uani 1 1 d . . .
H23A H 0.4458 0.7031 0.1002 0.087 Uiso 1 1 calc R . .
H23B H 0.4235 0.7939 0.0585 0.087 Uiso 1 1 calc R . .
H23C H 0.3682 0.6619 0.0085 0.087 Uiso 1 1 calc R . .
C24 C 0.3327(4) 1.2460(3) 0.3685(2) 0.0212(9) Uani 1 1 d . . .
C25 C 0.3984(4) 1.3285(3) 0.4421(2) 0.0253(9) Uani 1 1 d . . .
H25 H 0.4852 1.3718 0.4559 0.030 Uiso 1 1 calc R . .
C26 C 0.3411(4) 1.3488(4) 0.4952(2) 0.0293(10) Uani 1 1 d . . .
H26 H 0.3892 1.4053 0.5448 0.035 Uiso 1 1 calc R . .
C27 C 0.2131(4) 1.2876(4) 0.4778(2) 0.0269(9) Uani 1 1 d . . .
C28 C 0.1472(4) 1.2059(3) 0.4059(2) 0.0242(9) Uani 1 1 d . . .
H28 H 0.0606 1.1629 0.3932 0.029 Uiso 1 1 calc R . .
C29 C 0.2034(3) 1.1837(3) 0.3504(2) 0.0207(8) Uani 1 1 d . . .
C30 C 0.1521(4) 1.3113(4) 0.5370(2) 0.0409(12) Uani 1 1 d . . .
H30A H 0.0635 1.2596 0.5157 0.061 Uiso 1 1 calc R . .
H30B H 0.1661 1.3916 0.5474 0.061 Uiso 1 1 calc R . .
H30C H 0.1872 1.2979 0.5862 0.061 Uiso 1 1 calc R . .
C31 C 0.4772(3) 1.3119(3) 0.2994(2) 0.0208(8) Uani 1 1 d . . .
C32 C 0.5708(3) 1.2973(3) 0.2742(2) 0.0225(9) Uani 1 1 d . . .
C33 C 0.6560(4) 1.3877(4) 0.2552(2) 0.0276(9) Uani 1 1 d . . .
H33 H 0.7178 1.3767 0.2381 0.033 Uiso 1 1 calc R . .
C34 C 0.6533(4) 1.4925(3) 0.2606(2) 0.0290(10) Uani 1 1 d . . .
C35 C 0.5606(4) 1.5056(3) 0.2851(2) 0.0282(10) Uani 1 1 d . . .
H35 H 0.5556 1.5761 0.2885 0.034 Uiso 1 1 calc R . .
C36 C 0.4766(4) 1.4190(3) 0.3044(2) 0.0249(9) Uani 1 1 d . . .
H36 H 0.4157 1.4317 0.3218 0.030 Uiso 1 1 calc R . .
C37 C 0.7451(4) 1.5871(4) 0.2380(3) 0.0436(12) Uani 1 1 d . . .
H37A H 0.7381 1.5589 0.1828 0.065 Uiso 1 1 calc R . .
H37B H 0.8286 1.6100 0.2720 0.065 Uiso 1 1 calc R . .
H37C H 0.7282 1.6539 0.2445 0.065 Uiso 1 1 calc R . .
C38 C 0.0732(5) 1.1064(5) 0.1029(3) 0.0631(16) Uani 1 1 d . . .
H38A H -0.0109 1.0433 0.0827 0.095 Uiso 1 1 calc R . .
H38B H 0.1312 1.0752 0.0985 0.095 Uiso 1 1 calc R . .
H38C H 0.0807 1.1616 0.0719 0.095 Uiso 1 1 calc R . .
C39 C 0.0185(5) 1.2189(5) 0.2041(3) 0.0517(14) Uani 1 1 d . . .
H39A H 0.0198 1.2727 0.1727 0.078 Uiso 1 1 calc R . .
H39B H 0.0476 1.2604 0.2603 0.078 Uiso 1 1 calc R . .
H39C H -0.0657 1.1574 0.1898 0.078 Uiso 1 1 calc R . .
C40 C 0.1017(5) 1.1666(4) 0.1881(2) 0.0389(11) Uani 1 1 d . . .
H40 H 0.1847 1.2341 0.2027 0.047 Uiso 1 1 calc R . .
C41 C -0.1121(4) 0.8984(4) 0.1758(3) 0.0398(12) Uani 1 1 d . . .
H41A H -0.0674 0.8645 0.1511 0.060 Uiso 1 1 calc R . .
H41B H -0.1382 0.9418 0.1432 0.060 Uiso 1 1 calc R . .
H41C H -0.1846 0.8368 0.1805 0.060 Uiso 1 1 calc R . .
C42 C -0.0070(4) 0.9110(4) 0.3149(3) 0.0361(11) Uani 1 1 d . . .
H42A H -0.0856 0.8620 0.3209 0.054 Uiso 1 1 calc R . .
H42B H 0.0502 0.9645 0.3664 0.054 Uiso 1 1 calc R . .
H42C H 0.0279 0.8626 0.2940 0.054 Uiso 1 1 calc R . .
C43 C -0.0280(3) 0.9797(3) 0.2578(2) 0.0270(9) Uani 1 1 d . . .
H43 H -0.0671 1.0262 0.2781 0.032 Uiso 1 1 calc R . .
C44 C 0.6453(5) 1.0278(4) 0.1724(3) 0.0445(12) Uani 1 1 d . . .
H44A H 0.5700 0.9605 0.1683 0.067 Uiso 1 1 calc R . .
H44B H 0.7118 1.0409 0.2190 0.067 Uiso 1 1 calc R . .
H44C H 0.6685 1.0140 0.1250 0.067 Uiso 1 1 calc R . .
C45 C 0.5253(5) 1.1196(4) 0.1055(3) 0.0466(13) Uani 1 1 d . . .
H45A H 0.5538 1.1097 0.0600 0.070 Uiso 1 1 calc R . .
H45B H 0.5116 1.1882 0.1114 0.070 Uiso 1 1 calc R . .
H45C H 0.4482 1.0514 0.0974 0.070 Uiso 1 1 calc R . .
C46 C 0.6226(4) 1.1345(4) 0.1800(2) 0.0307(10) Uani 1 1 d . . .
H46 H 0.7012 1.2038 0.1877 0.037 Uiso 1 1 calc R . .
C47 C 0.8193(4) 1.2660(5) 0.3631(3) 0.0523(14) Uani 1 1 d . . .
H47A H 0.8216 1.3421 0.3696 0.078 Uiso 1 1 calc R . .
H47B H 0.8418 1.2462 0.3164 0.078 Uiso 1 1 calc R . .
H47C H 0.8777 1.2676 0.4099 0.078 Uiso 1 1 calc R . .
C48 C 0.6546(4) 1.2024(5) 0.4260(3) 0.0465(13) Uani 1 1 d . . .
H48A H 0.7165 1.2082 0.4726 0.070 Uiso 1 1 calc R . .
H48B H 0.5742 1.1401 0.4201 0.070 Uiso 1 1 calc R . .
H48C H 0.6498 1.2755 0.4321 0.070 Uiso 1 1 calc R . .
C49 C 0.6905(4) 1.1764(4) 0.3530(2) 0.0321(10) Uani 1 1 d . . .
H49 H 0.6923 1.1005 0.3480 0.039 Uiso 1 1 calc R . .
C50 C 0.6597(6) 0.7171(7) 0.9502(4) 0.094(2) Uani 1 1 d . . .
H50A H 0.6638 0.7758 0.9932 0.141 Uiso 1 1 calc R . .
H50B H 0.6515 0.7411 0.9018 0.141 Uiso 1 1 calc R . .
H50C H 0.7351 0.7082 0.9642 0.141 Uiso 1 1 calc R . .
C51 C 0.5498(6) 0.6033(6) 0.9370(3) 0.0672(18) Uani 1 1 d . . .
H51A H 0.4745 0.6139 0.9247 0.081 Uiso 1 1 calc R . .
H51B H 0.5423 0.5464 0.8906 0.081 Uiso 1 1 calc R . .
C52 C 0.5570(5) 0.5559(5) 1.0059(3) 0.0595(16) Uani 1 1 d . . .
H52A H 0.5689 0.6145 1.0529 0.071 Uiso 1 1 calc R . .
H52B H 0.6299 0.5414 1.0164 0.071 Uiso 1 1 calc R . .
N1 N 0.3879(3) 1.2189(3) 0.31453(18) 0.0214(7) Uani 1 1 d . . .
P1 P 0.32142(9) 0.80880(9) 0.30915(6) 0.0189(2) Uani 1 1 d . . .
P2 P 0.12341(9) 1.07798(9) 0.25383(6) 0.0216(2) Uani 1 1 d . . .
P3 P 0.56831(9) 1.15782(9) 0.26505(6) 0.0228(2) Uani 1 1 d . . .
Ru1 Ru 0.23898(3) 0.78464(3) 0.177442(17) 0.01947(8) Uani 1 1 d . . .
Ho1 Ho 0.324275(16) 1.021107(15) 0.269494(10) 0.01949(7) Uani 1 1 d . . .
H2RU H 0.168(3) 0.854(3) 0.200(2) 0.030(11) Uiso 1 1 d . . .
H1RU H 0.355(3) 0.907(3) 0.1809(19) 0.019(10) 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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -0.2175 4.6783 '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 Ho1 91.22(15) . .
C3 C2 C7 118.1(4) . .
C3 C2 P1 118.6(3) . .
C7 C2 P1 123.3(3) . .
C4 C3 C2 121.0(4) . .
C5 C4 C3 120.0(4) . .
C4 C5 C6 119.6(4) . .
C5 C6 C7 120.6(4) . .
C6 C7 C2 120.6(4) . .
C13 C8 C9 117.8(4) . .
C13 C8 P1 120.0(3) . .
C9 C8 P1 122.1(3) . .
C10 C9 C8 121.5(4) . .
C9 C10 C11 119.6(4) . .
C12 C11 C10 120.3(4) . .
C11 C12 C13 119.8(4) . .
C8 C13 C12 121.0(4) . .
C15 C14 C18 107.2(4) . .
C15 C14 C19 127.5(4) . .
C18 C14 C19 125.1(5) . .
C15 C14 Ru1 71.6(2) . .
C18 C14 Ru1 71.5(2) . .
C19 C14 Ru1 125.7(3) . .
C14 C15 C16 109.5(4) . .
C14 C15 C20 126.0(5) . .
C16 C15 C20 124.3(5) . .
C14 C15 Ru1 71.1(2) . .
C16 C15 Ru1 72.5(2) . .
C20 C15 Ru1 127.2(3) . .
C15 C16 C17 106.9(4) . .
C15 C16 C21 126.9(5) . .
C17 C16 C21 125.6(5) . .
C15 C16 Ru1 70.5(2) . .
C17 C16 Ru1 71.2(2) . .
C21 C16 Ru1 130.4(3) . .
C18 C17 C16 108.4(4) . .
C18 C17 C22 124.6(4) . .
C16 C17 C22 126.7(5) . .
C18 C17 Ru1 70.7(2) . .
C16 C17 Ru1 71.3(2) . .
C22 C17 Ru1 129.1(3) . .
C17 C18 C14 108.0(4) . .
C17 C18 C23 127.3(4) . .
C14 C18 C23 124.2(4) . .
C17 C18 Ru1 72.4(2) . .
C14 C18 Ru1 70.6(2) . .
C23 C18 Ru1 129.0(3) . .
N1 C24 C25 123.7(4) . .
N1 C24 C29 119.2(3) . .
C25 C24 C29 117.1(3) . .
C26 C25 C24 121.9(4) . .
C25 C26 C27 121.5(4) . .
C28 C27 C26 117.5(4) . .
C28 C27 C30 122.0(4) . .
C26 C27 C30 120.6(4) . .
C27 C28 C29 122.3(4) . .
C28 C29 C24 119.8(4) . .
C28 C29 P2 125.3(3) . .
C24 C29 P2 114.9(3) . .
C36 C31 N1 123.5(3) . .
C36 C31 C32 116.9(3) . .
N1 C31 C32 119.5(3) . .
C33 C32 C31 119.6(4) . .
C33 C32 P3 123.7(3) . .
C31 C32 P3 116.7(3) . .
C34 C33 C32 122.4(4) . .
C33 C34 C35 117.4(4) . .
C33 C34 C37 120.9(4) . .
C35 C34 C37 121.6(4) . .
C36 C35 C34 121.4(4) . .
C35 C36 C31 122.3(4) . .
C38 C40 C39 115.5(4) . .
C38 C40 P2 112.1(3) . .
C39 C40 P2 113.6(3) . .
C41 C43 C42 110.6(4) . .
C41 C43 P2 110.7(3) . .
C42 C43 P2 108.0(3) . .
C45 C46 C44 110.5(4) . .
C45 C46 P3 108.3(3) . .
C44 C46 P3 110.8(3) . .
C47 C49 C48 110.8(4) . .
C47 C49 P3 115.4(3) . .
C48 C49 P3 108.8(3) . .
C52 C51 C50 113.6(5) . .
C51 C52 C52 113.6(6) . 2_667
C24 N1 C31 117.1(3) . .
C24 N1 Ho1 112.9(2) . .
C31 N1 Ho1 129.8(2) . .
C1 P1 C8 100.56(17) . .
C1 P1 C2 106.75(18) . .
C8 P1 C2 101.81(17) . .
C1 P1 Ru1 113.49(13) . .
C8 P1 Ru1 117.03(13) . .
C2 P1 Ru1 115.45(13) . .
C1 P1 Ho1 51.90(12) . .
C8 P1 Ho1 106.70(12) . .
C2 P1 Ho1 146.89(13) . .
Ru1 P1 Ho1 65.20(3) . .
C29 P2 C43 105.79(18) . .
C29 P2 C40 102.67(19) . .
C43 P2 C40 109.0(2) . .
C29 P2 Ho1 90.35(12) . .
C43 P2 Ho1 123.05(13) . .
C40 P2 Ho1 120.15(15) . .
C32 P3 C46 104.39(19) . .
C32 P3 C49 106.15(19) . .
C46 P3 C49 106.09(19) . .
C32 P3 Ho1 100.93(13) . .
C46 P3 Ho1 124.97(15) . .
C49 P3 Ho1 112.44(14) . .
C14 Ru1 C15 37.29(16) . .
C14 Ru1 C18 37.93(16) . .
C15 Ru1 C18 62.39(16) . .
C14 Ru1 C17 62.45(15) . .
C15 Ru1 C17 61.99(16) . .
C18 Ru1 C17 36.88(16) . .
C14 Ru1 C16 62.57(17) . .
C15 Ru1 C16 37.04(16) . .
C18 Ru1 C16 62.45(17) . .
C17 Ru1 C16 37.50(16) . .
C14 Ru1 P1 162.17(12) . .
C15 Ru1 P1 141.24(13) . .
C18 Ru1 P1 124.97(12) . .
C17 Ru1 P1 100.48(11) . .
C16 Ru1 P1 107.70(12) . .
C14 Ru1 Ho1 126.30(12) . .
C15 Ru1 Ho1 133.22(11) . .
C18 Ru1 Ho1 140.47(12) . .
C17 Ru1 Ho1 164.55(11) . .
C16 Ru1 Ho1 155.17(12) . .
P1 Ru1 Ho1 69.12(3) . .
N1 Ho1 C1 112.86(12) . .
N1 Ho1 P2 66.73(8) . .
C1 Ho1 P2 106.78(9) . .
N1 Ho1 P3 67.77(8) . .
C1 Ho1 P3 111.98(10) . .
P2 Ho1 P3 128.57(3) . .
N1 Ho1 Ru1 166.56(8) . .
C1 Ho1 Ru1 80.57(9) . .
P2 Ho1 Ru1 110.70(2) . .
P3 Ho1 Ru1 107.90(2) . .
N1 Ho1 P1 147.18(8) . .
C1 Ho1 P1 36.88(9) . .
P2 Ho1 P1 124.32(3) . .
P3 Ho1 P1 106.91(3) . .
Ru1 Ho1 P1 45.68(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 P1 1.798(4) .
C1 Ho1 2.358(4) .
C2 C3 1.385(5) .
C2 C7 1.391(5) .
C2 P1 1.843(4) .
C3 C4 1.382(6) .
C4 C5 1.373(6) .
C5 C6 1.373(6) .
C6 C7 1.375(6) .
C8 C13 1.388(5) .
C8 C9 1.391(5) .
C8 P1 1.840(4) .
C9 C10 1.378(6) .
C10 C11 1.379(6) .
C11 C12 1.374(6) .
C12 C13 1.390(5) .
C14 C15 1.408(6) .
C14 C18 1.433(6) .
C14 C19 1.509(6) .
C14 Ru1 2.199(4) .
C15 C16 1.410(6) .
C15 C20 1.498(6) .
C15 Ru1 2.206(4) .
C16 C17 1.435(6) .
C16 C21 1.498(6) .
C16 Ru1 2.232(4) .
C17 C18 1.405(6) .
C17 C22 1.513(6) .
C17 Ru1 2.232(4) .
C18 C23 1.508(6) .
C18 Ru1 2.211(4) .
C24 N1 1.397(5) .
C24 C25 1.399(5) .
C24 C29 1.418(5) .
C25 C26 1.377(5) .
C26 C27 1.405(6) .
C27 C28 1.372(5) .
C27 C30 1.512(5) .
C28 C29 1.410(5) .
C29 P2 1.817(4) .
C31 C36 1.403(5) .
C31 N1 1.409(5) .
C31 C32 1.419(5) .
C32 C33 1.400(5) .
C32 P3 1.808(4) .
C33 C34 1.385(6) .
C34 C35 1.395(6) .
C34 C37 1.511(6) .
C35 C36 1.368(6) .
C38 C40 1.507(6) .
C39 C40 1.514(6) .
C40 P2 1.854(4) .
C41 C43 1.528(6) .
C42 C43 1.531(6) .
C43 P2 1.846(4) .
C44 C46 1.534(6) .
C45 C46 1.526(6) .
C46 P3 1.851(4) .
C47 C49 1.518(6) .
C48 C49 1.521(6) .
C49 P3 1.851(4) .
C50 C51 1.511(9) .
C51 C52 1.490(8) .
C52 C52 1.527(12) 2_667
N1 Ho1 2.335(3) .
P1 Ru1 2.2937(11) .
P1 Ho1 2.9953(11) .
P2 Ho1 2.8696(11) .
P3 Ho1 2.8893(11) .
Ru1 Ho1 2.9101(6) .
