#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:49:12 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178583 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/94/4069478.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_4069478
loop_
_publ_author_name
'Takaoka, Ayumi'
'Mendiratta, Arjun'
'Peters, Jonas C.'
_publ_contact_author             'Jonas C. Peters'
_publ_contact_author_email       jcpeters@mit.edu
_publ_section_title
;
 E-H Bond Activation Reactions (E = H, C, Si, Ge) at Ruthenium:
 Terminal Phosphides, Silylenes, and Germylenes
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3744
_journal_paper_doi               10.1021/om900216u
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C69 H55 B O2 P3 Ru Si'
_chemical_formula_weight         1149.01
_chemical_name_common            '[SiPPh2PPh-B(cat)]Ru(mu-H)'
_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                 94.4350(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0510(8)
_cell_length_b                   13.6018(6)
_cell_length_c                   24.8745(12)
_cell_measurement_reflns_used    9512
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.60
_cell_measurement_theta_min      2.50
_cell_volume                     5414.4(4)
_computing_cell_refinement       'SAINT 7.46A (Bruker-AXS, 2008)'
_computing_data_collection       'APEX2 3.0 (Bruker-AXS, 2008)'
_computing_data_reduction        'SAINT 7.46A (Bruker-AXS, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker Smart APEX CCD'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0763
_diffrn_reflns_av_sigmaI/netI    0.0507
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            115841
_diffrn_reflns_theta_full        30.69
_diffrn_reflns_theta_max         30.69
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    0.449
_exptl_absorpt_correction_T_max  0.9565
_exptl_absorpt_correction_T_min  0.8960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2372
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.687
_refine_diff_density_min         -0.500
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     698
_refine_ls_number_reflns         16591
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0409
_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)+(0.0301P)²+5.9693P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0837
_refine_ls_wR_factor_ref         0.0954
_reflns_number_gt                12558
_reflns_number_total             16591
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900216u_si_002.cif
_cod_data_source_block           08062
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

Some obvious sintax errors have been fixed miguel

The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P2(1)/n  '
_cod_database_code               4069478
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
Ru Ru 0.449638(10) 0.722972(11) 0.177195(6) 0.01226(4) Uani 1 1 d .
Si Si 0.43712(4) 0.72471(4) 0.26833(2) 0.01334(11) Uani 1 1 d .
P1 P 0.54714(3) 0.84401(4) 0.20327(2) 0.01383(10) Uani 1 1 d .
P2 P 0.53564(3) 0.58937(4) 0.19986(2) 0.01394(10) Uani 1 1 d .
P3 P 0.31701(3) 0.65138(4) 0.17543(2) 0.01426(10) Uani 1 1 d .
B B 0.41951(15) 0.84860(17) 0.10675(10) 0.0169(4) Uani 1 1 d .
O1 O 0.45977(10) 0.75898(11) 0.08447(6) 0.0191(3) Uani 1 1 d .
O2 O 0.34175(10) 0.86269(11) 0.07318(6) 0.0216(3) Uani 1 1 d .
C1 C 0.45794(13) 0.85424(14) 0.29427(8) 0.0152(4) Uani 1 1 d .
C2 C 0.43481(14) 0.89774(16) 0.34187(9) 0.0192(4) Uani 1 1 d .
H2 H 0.4007 0.8622 0.3647 0.023 Uiso 1 1 calc R
C3 C 0.46105(15) 0.99233(17) 0.35620(9) 0.0227(5) Uani 1 1 d .
H3 H 0.4453 1.0205 0.3889 0.027 Uiso 1 1 calc R
C4 C 0.50997(15) 1.04569(16) 0.32322(10) 0.0240(5) Uani 1 1 d .
H4 H 0.5265 1.1108 0.3329 0.029 Uiso 1 1 calc R
C5 C 0.53508(14) 1.00420(16) 0.27589(9) 0.0199(4) Uani 1 1 d .
H5 H 0.5691 1.0405 0.2534 0.024 Uiso 1 1 calc R
C6 C 0.50973(13) 0.90849(15) 0.26184(8) 0.0156(4) Uani 1 1 d .
C7 C 0.52361(13) 0.64936(15) 0.30424(8) 0.0159(4) Uani 1 1 d .
C8 C 0.54299(14) 0.65050(16) 0.36053(9) 0.0204(4) Uani 1 1 d .
H8 H 0.5121 0.6918 0.3826 0.025 Uiso 1 1 calc R
C9 C 0.60665(15) 0.59198(18) 0.38407(9) 0.0252(5) Uani 1 1 d .
H9 H 0.6191 0.5929 0.4220 0.030 Uiso 1 1 calc R
C10 C 0.65194(16) 0.53205(19) 0.35177(10) 0.0284(5) Uani 1 1 d .
H10 H 0.6959 0.4925 0.3678 0.034 Uiso 1 1 calc R
C11 C 0.63367(16) 0.52946(19) 0.29676(10) 0.0282(5) Uani 1 1 d .
H11 H 0.6644 0.4871 0.2752 0.034 Uiso 1 1 calc R
C12 C 0.57011(13) 0.58884(15) 0.27238(8) 0.0172(4) Uani 1 1 d .
C13 C 0.33733(13) 0.66485(14) 0.28754(8) 0.0157(4) Uani 1 1 d .
C14 C 0.31311(14) 0.64730(15) 0.33989(9) 0.0187(4) Uani 1 1 d .
H14 H 0.3482 0.6687 0.3701 0.022 Uiso 1 1 calc R
C15 C 0.23904(14) 0.59933(16) 0.34802(9) 0.0204(4) Uani 1 1 d .
H15 H 0.2241 0.5875 0.3837 0.024 Uiso 1 1 calc R
C16 C 0.18639(14) 0.56833(16) 0.30430(9) 0.0210(4) Uani 1 1 d .
H16 H 0.1350 0.5369 0.3101 0.025 Uiso 1 1 calc R
C17 C 0.20890(14) 0.58334(15) 0.25232(9) 0.0188(4) Uani 1 1 d .
H17 H 0.1730 0.5622 0.2224 0.023 Uiso 1 1 calc R
C18 C 0.28475(13) 0.62972(14) 0.24395(8) 0.0159(4) Uani 1 1 d .
C19 C 0.65682(13) 0.82057(15) 0.22636(9) 0.0179(4) Uani 1 1 d .
C20 C 0.67876(15) 0.80115(16) 0.28060(10) 0.0240(5) Uani 1 1 d .
H20 H 0.6384 0.8089 0.3063 0.029 Uiso 1 1 calc R
C21 C 0.75917(16) 0.77057(19) 0.29755(12) 0.0326(6) Uani 1 1 d .
H21 H 0.7735 0.7577 0.3346 0.039 Uiso 1 1 calc R
C22 C 0.81812(16) 0.75894(18) 0.26060(13) 0.0343(6) Uani 1 1 d .
H22 H 0.8727 0.7366 0.2721 0.041 Uiso 1 1 calc R
C23 C 0.79799(15) 0.77978(18) 0.20679(12) 0.0316(6) Uani 1 1 d .
H23 H 0.8391 0.7732 0.1815 0.038 Uiso 1 1 calc R
C24 C 0.71764(15) 0.81032(16) 0.18953(10) 0.0236(5) Uani 1 1 d .
H24 H 0.7041 0.8243 0.1525 0.028 Uiso 1 1 calc R
C25 C 0.55019(14) 0.93959(15) 0.15156(8) 0.0168(4) Uani 1 1 d .
C26 C 0.61371(15) 1.01013(16) 0.15086(9) 0.0210(4) Uani 1 1 d .
H26 H 0.6592 1.0094 0.1777 0.025 Uiso 1 1 calc R
C27 C 0.60969(16) 1.08136(17) 0.11049(10) 0.0259(5) Uani 1 1 d .
H27 H 0.6529 1.1289 0.1096 0.031 Uiso 1 1 calc R
C28 C 0.54325(17) 1.08337(16) 0.07174(9) 0.0261(5) Uani 1 1 d .
H28 H 0.5406 1.1326 0.0446 0.031 Uiso 1 1 calc R
C29 C 0.48000(15) 1.01315(16) 0.07245(9) 0.0218(5) Uani 1 1 d .
H29 H 0.4342 1.0156 0.0459 0.026 Uiso 1 1 calc R
C30 C 0.48310(14) 0.93905(15) 0.11174(8) 0.0177(4) Uani 1 1 d .
C31 C 0.62877(13) 0.58592(15) 0.16080(9) 0.0166(4) Uani 1 1 d .
C32 C 0.69621(15) 0.5223(2) 0.17208(10) 0.0296(5) Uani 1 1 d .
H32 H 0.6954 0.4778 0.2014 0.036 Uiso 1 1 calc R
C33 C 0.76443(16) 0.5233(2) 0.14098(10) 0.0324(6) Uani 1 1 d .
H33 H 0.8109 0.4816 0.1501 0.039 Uiso 1 1 calc R
C34 C 0.76497(16) 0.58461(18) 0.09691(10) 0.0276(5) Uani 1 1 d .
H34 H 0.8120 0.5859 0.0759 0.033 Uiso 1 1 calc R
C35 C 0.69738(17) 0.64365(17) 0.08345(10) 0.0280(5) Uani 1 1 d .
H35 H 0.6967 0.6839 0.0522 0.034 Uiso 1 1 calc R
C36 C 0.62959(15) 0.64518(16) 0.11524(9) 0.0233(5) Uani 1 1 d .
H36 H 0.5835 0.6871 0.1057 0.028 Uiso 1 1 calc R
C37 C 0.50333(13) 0.46013(15) 0.19024(9) 0.0169(4) Uani 1 1 d .
C38 C 0.48192(14) 0.40098(16) 0.23295(10) 0.0218(4) Uani 1 1 d .
H38 H 0.4805 0.4283 0.2680 0.026 Uiso 1 1 calc R
C39 C 0.46259(15) 0.30146(17) 0.22419(11) 0.0266(5) Uani 1 1 d .
H39 H 0.4473 0.2617 0.2532 0.032 Uiso 1 1 calc R
C40 C 0.46574(15) 0.26107(17) 0.17360(11) 0.0284(5) Uani 1 1 d .
H40 H 0.4547 0.1930 0.1682 0.034 Uiso 1 1 calc R
C41 C 0.48496(15) 0.31938(17) 0.13067(11) 0.0258(5) Uani 1 1 d .
H41 H 0.4861 0.2916 0.0957 0.031 Uiso 1 1 calc R
C42 C 0.50265(14) 0.41872(16) 0.13876(10) 0.0214(4) Uani 1 1 d .
H42 H 0.5144 0.4588 0.1090 0.026 Uiso 1 1 calc R
C43 C 0.29581(13) 0.53405(15) 0.14147(9) 0.0173(4) Uani 1 1 d .
C44 C 0.29383(13) 0.44583(16) 0.17000(10) 0.0205(4) Uani 1 1 d .
H44 H 0.2990 0.4469 0.2083 0.025 Uiso 1 1 calc R
C45 C 0.28450(15) 0.35669(16) 0.14321(11) 0.0266(5) Uani 1 1 d .
H45 H 0.2830 0.2973 0.1632 0.032 Uiso 1 1 calc R
C46 C 0.27739(16) 0.35402(17) 0.08754(11) 0.0300(6) Uani 1 1 d .
H46 H 0.2701 0.2930 0.0692 0.036 Uiso 1 1 calc R
C47 C 0.28086(16) 0.44060(18) 0.05858(11) 0.0287(5) Uani 1 1 d .
H47 H 0.2768 0.4388 0.0203 0.034 Uiso 1 1 calc R
C48 C 0.29036(15) 0.53053(17) 0.08527(9) 0.0229(5) Uani 1 1 d .
H48 H 0.2931 0.5896 0.0651 0.027 Uiso 1 1 calc R
C49 C 0.22727(13) 0.72936(14) 0.15181(8) 0.0150(4) Uani 1 1 d .
C50 C 0.22226(14) 0.82303(15) 0.17496(9) 0.0197(4) Uani 1 1 d .
H50 H 0.2676 0.8465 0.1983 0.024 Uiso 1 1 calc R
C51 C 0.15259(14) 0.88181(16) 0.16447(9) 0.0219(5) Uani 1 1 d .
H51 H 0.1504 0.9450 0.1806 0.026 Uiso 1 1 calc R
C52 C 0.08552(15) 0.84845(17) 0.13019(9) 0.0221(5) Uani 1 1 d .
H52 H 0.0371 0.8880 0.1233 0.027 Uiso 1 1 calc R
C53 C 0.09050(15) 0.75708(17) 0.10640(9) 0.0232(5) Uani 1 1 d .
H53 H 0.0456 0.7343 0.0825 0.028 Uiso 1 1 calc R
C54 C 0.16084(14) 0.69780(16) 0.11711(9) 0.0207(4) Uani 1 1 d .
H54 H 0.1632 0.6351 0.1004 0.025 Uiso 1 1 calc R
C55 C 0.40630(14) 0.72752(16) 0.04195(8) 0.0197(4) Uani 1 1 d .
C56 C 0.41819(17) 0.65018(18) 0.00744(10) 0.0268(5) Uani 1 1 d .
H56 H 0.4671 0.6107 0.0111 0.032 Uiso 1 1 calc R
C57 C 0.35433(17) 0.63271(19) -0.03333(10) 0.0313(6) Uani 1 1 d .
H57 H 0.3599 0.5802 -0.0580 0.038 Uiso 1 1 calc R
C58 C 0.28388(18) 0.6905(2) -0.03803(10) 0.0312(6) Uani 1 1 d .
H58 H 0.2414 0.6763 -0.0657 0.037 Uiso 1 1 calc R
C59 C 0.27281(16) 0.76978(18) -0.00334(10) 0.0271(5) Uani 1 1 d .
H59 H 0.2240 0.8095 -0.0069 0.033 Uiso 1 1 calc R
C60 C 0.33630(15) 0.78752(16) 0.03628(9) 0.0209(4) Uani 1 1 d .
C61 C 0.09795(18) 0.0535(2) 0.02805(11) 0.0333(6) Uani 1 1 d .
H61 H 0.0561 0.0308 0.0500 0.040 Uiso 1 1 calc R
C62 C 0.17416(17) 0.00746(19) 0.02993(10) 0.0292(5) Uani 1 1 d .
H62 H 0.1849 -0.0470 0.0534 0.035 Uiso 1 1 calc R
C63 C 0.23564(18) 0.0398(2) -0.00216(10) 0.0335(6) Uani 1 1 d .
H63 H 0.2881 0.0071 -0.0012 0.040 Uiso 1 1 calc R
C64 C 0.2199(2) 0.1198(2) -0.03553(11) 0.0429(8) Uani 1 1 d .
H64 H 0.2620 0.1429 -0.0572 0.051 Uiso 1 1 calc R
C65 C 0.1436(3) 0.1664(2) -0.03763(12) 0.0501(9) Uani 1 1 d .
H65 H 0.1330 0.2214 -0.0608 0.060 Uiso 1 1 calc R
C66 C 0.0822(2) 0.1330(2) -0.00588(12) 0.0445(8) Uani 1 1 d .
H66 H 0.0294 0.1647 -0.0074 0.053 Uiso 1 1 calc R
C67 C 0.06196(17) 0.4298(2) 0.00749(10) 0.0327(6) Uani 1 1 d .
H67 H 0.1046 0.3815 0.0126 0.039 Uiso 1 1 calc R
C68 C 0.08251(17) 0.5260(2) -0.00426(10) 0.0329(6) Uani 1 1 d .
H68 H 0.1393 0.5436 -0.0071 0.039 Uiso 1 1 calc R
C69 C 0.02080(17) 0.5960(2) -0.01185(10) 0.0321(6) Uani 1 1 d .
H69 H 0.0349 0.6619 -0.0201 0.039 Uiso 1 1 calc R
H1 H 0.3935(15) 0.8301(17) 0.1558(9) 0.016(6) 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'
B B 0.0013 0.0007 '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'
Si Si 0.0817 0.0704 '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'
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
Si Ru P2 82.18(2) . .
Si Ru P1 79.96(2) . .
P2 Ru P1 96.40(2) . .
Si Ru P3 82.74(2) . .
P2 Ru P3 101.632(19) . .
P1 Ru P3 152.99(2) . .
Si Ru O1 167.47(4) . .
P2 Ru O1 108.22(4) . .
P1 Ru O1 91.70(4) . .
P3 Ru O1 101.43(4) . .
Si Ru B 131.90(6) . .
P2 Ru B 142.49(6) . .
P1 Ru B 78.40(6) . .
P3 Ru B 98.44(6) . .
O1 Ru B 36.14(7) . .
Si Ru H1 101.9(8) . .
P2 Ru H1 173.5(8) . .
P1 Ru H1 79.5(8) . .
P3 Ru H1 84.0(8) . .
O1 Ru H1 67.1(8) . .
B Ru H1 31.9(8) . .
C13 Si C7 104.61(9) . .
C13 Si C1 116.38(9) . .
C7 Si C1 103.81(9) . .
C13 Si Ru 112.73(7) . .
C7 Si Ru 110.12(7) . .
C1 Si Ru 108.64(7) . .
C25 P1 C19 105.41(10) . .
C25 P1 C6 104.22(9) . .
C19 P1 C6 101.45(10) . .
C25 P1 Ru 111.10(7) . .
C19 P1 Ru 124.86(7) . .
C6 P1 Ru 107.69(7) . .
C37 P2 C12 100.57(10) . .
C37 P2 C31 97.96(9) . .
C12 P2 C31 108.71(10) . .
C37 P2 Ru 123.93(7) . .
C12 P2 Ru 111.57(7) . .
C31 P2 Ru 112.46(7) . .
C43 P3 C18 103.44(10) . .
C43 P3 C49 104.00(9) . .
C18 P3 C49 96.77(9) . .
C43 P3 Ru 120.65(7) . .
C18 P3 Ru 111.69(7) . .
C49 P3 Ru 116.95(7) . .
O2 B O1 105.55(17) . .
O2 B C30 117.15(18) . .
O1 B C30 111.25(18) . .
O2 B Ru 127.51(15) . .
O1 B Ru 68.57(10) . .
C30 B Ru 112.90(14) . .
O2 B H1 103.4(10) . .
O1 B H1 110.8(10) . .
C30 B H1 108.4(10) . .
Ru B H1 44.2(10) . .
C55 O1 B 105.93(17) . .
C55 O1 Ru 126.58(13) . .
B O1 Ru 75.28(11) . .
C60 O2 B 106.99(17) . .
C2 C1 C6 118.00(19) . .
C2 C1 Si 129.00(16) . .
C6 C1 Si 112.79(14) . .
C3 C2 C1 120.9(2) . .
C3 C2 H2 119.6 . .
C1 C2 H2 119.6 . .
C4 C3 C2 120.5(2) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 120.2(2) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C4 C5 C6 119.3(2) . .
C4 C5 H5 120.3 . .
C6 C5 H5 120.3 . .
C5 C6 C1 121.08(19) . .
C5 C6 P1 122.30(17) . .
C1 C6 P1 116.50(15) . .
C12 C7 C8 118.87(19) . .
C12 C7 Si 117.09(15) . .
C8 C7 Si 124.04(16) . .
C9 C8 C7 120.7(2) . .
C9 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C8 C9 C10 119.6(2) . .
C8 C9 H9 120.2 . .
C10 C9 H9 120.2 . .
C11 C10 C9 120.6(2) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C10 C11 C12 120.5(2) . .
C10 C11 H11 119.8 . .
C12 C11 H11 119.8 . .
C7 C12 C11 119.8(2) . .
C7 C12 P2 114.77(15) . .
C11 C12 P2 125.33(17) . .
C18 C13 C14 117.63(19) . .
C18 C13 Si 114.92(15) . .
C14 C13 Si 127.35(16) . .
C15 C14 C13 121.1(2) . .
C15 C14 H14 119.5 . .
C13 C14 H14 119.5 . .
C14 C15 C16 120.4(2) . .
C14 C15 H15 119.8 . .
C16 C15 H15 119.8 . .
C17 C16 C15 119.9(2) . .
C17 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
C16 C17 C18 119.9(2) . .
C16 C17 H17 120.1 . .
C18 C17 H17 120.1 . .
C17 C18 C13 121.02(19) . .
C17 C18 P3 121.26(16) . .
C13 C18 P3 117.67(15) . .
C20 C19 C24 118.6(2) . .
C20 C19 P1 120.02(17) . .
C24 C19 P1 120.91(17) . .
C21 C20 C19 120.7(2) . .
C21 C20 H20 119.7 . .
C19 C20 H20 119.7 . .
C22 C21 C20 120.1(3) . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C21 C22 C23 120.1(2) . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C22 C23 C24 120.1(2) . .
C22 C23 H23 119.9 . .
C24 C23 H23 119.9 . .
C23 C24 C19 120.4(2) . .
C23 C24 H24 119.8 . .
C19 C24 H24 119.8 . .
C26 C25 C30 120.89(19) . .
C26 C25 P1 123.62(17) . .
C30 C25 P1 115.49(15) . .
C27 C26 C25 119.5(2) . .
C27 C26 H26 120.3 . .
C25 C26 H26 120.3 . .
C28 C27 C26 120.5(2) . .
C28 C27 H27 119.8 . .
C26 C27 H27 119.8 . .
C27 C28 C29 120.1(2) . .
C27 C28 H28 120.0 . .
C29 C28 H28 120.0 . .
C28 C29 C30 121.0(2) . .
C28 C29 H29 119.5 . .
C30 C29 H29 119.5 . .
C29 C30 C25 118.1(2) . .
C29 C30 B 120.77(19) . .
C25 C30 B 120.59(18) . .
C36 C31 C32 117.8(2) . .
C36 C31 P2 118.24(17) . .
C32 C31 P2 123.82(17) . .
C33 C32 C31 120.9(2) . .
C33 C32 H32 119.5 . .
C31 C32 H32 119.5 . .
C34 C33 C32 120.2(2) . .
C34 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
C35 C34 C33 119.7(2) . .
C35 C34 H34 120.2 . .
C33 C34 H34 120.2 . .
C34 C35 C36 120.6(2) . .
C34 C35 H35 119.7 . .
C36 C35 H35 119.7 . .
C31 C36 C35 120.7(2) . .
C31 C36 H36 119.7 . .
C35 C36 H36 119.7 . .
C38 C37 C42 118.7(2) . .
C38 C37 P2 122.26(17) . .
C42 C37 P2 119.05(16) . .
C37 C38 C39 120.2(2) . .
C37 C38 H38 119.9 . .
C39 C38 H38 119.9 . .
C40 C39 C38 120.3(2) . .
C40 C39 H39 119.9 . .
C38 C39 H39 119.9 . .
C39 C40 C41 120.2(2) . .
C39 C40 H40 119.9 . .
C41 C40 H40 119.9 . .
C40 C41 C42 120.0(2) . .
C40 C41 H41 120.0 . .
C42 C41 H41 120.0 . .
C41 C42 C37 120.7(2) . .
C41 C42 H42 119.6 . .
C37 C42 H42 119.6 . .
C48 C43 C44 118.6(2) . .
C48 C43 P3 119.26(16) . .
C44 C43 P3 121.82(17) . .
C45 C44 C43 120.9(2) . .
C45 C44 H44 119.6 . .
C43 C44 H44 119.6 . .
C46 C45 C44 120.2(2) . .
C46 C45 H45 119.9 . .
C44 C45 H45 119.9 . .
C45 C46 C47 119.7(2) . .
C45 C46 H46 120.1 . .
C47 C46 H46 120.1 . .
C46 C47 C48 120.4(2) . .
C46 C47 H47 119.8 . .
C48 C47 H47 119.8 . .
C47 C48 C43 120.2(2) . .
C47 C48 H48 119.9 . .
C43 C48 H48 119.9 . .
C54 C49 C50 118.08(19) . .
C54 C49 P3 124.26(16) . .
C50 C49 P3 117.32(16) . .
C51 C50 C49 121.3(2) . .
C51 C50 H50 119.4 . .
C49 C50 H50 119.4 . .
C50 C51 C52 120.1(2) . .
C50 C51 H51 120.0 . .
C52 C51 H51 120.0 . .
C53 C52 C51 119.1(2) . .
C53 C52 H52 120.4 . .
C51 C52 H52 120.4 . .
C52 C53 C54 120.7(2) . .
C52 C53 H53 119.7 . .
C54 C53 H53 119.7 . .
C49 C54 C53 120.8(2) . .
C49 C54 H54 119.6 . .
C53 C54 H54 119.6 . .
O1 C55 C56 127.3(2) . .
O1 C55 C60 110.30(18) . .
C56 C55 C60 122.4(2) . .
C55 C56 C57 116.7(2) . .
C55 C56 H56 121.6 . .
C57 C56 H56 121.6 . .
C58 C57 C56 120.9(2) . .
C58 C57 H57 119.5 . .
C56 C57 H57 119.5 . .
C57 C58 C59 122.0(2) . .
C57 C58 H58 119.0 . .
C59 C58 H58 119.0 . .
C60 C59 C58 116.9(2) . .
C60 C59 H59 121.6 . .
C58 C59 H59 121.6 . .
O2 C60 C59 127.7(2) . .
O2 C60 C55 111.18(19) . .
C59 C60 C55 121.1(2) . .
C62 C61 C66 119.8(3) . .
C62 C61 H61 120.1 . .
C66 C61 H61 120.1 . .
C61 C62 C63 120.5(3) . .
C61 C62 H62 119.7 . .
C63 C62 H62 119.7 . .
C64 C63 C62 119.4(3) . .
C64 C63 H63 120.3 . .
C62 C63 H63 120.3 . .
C65 C64 C63 120.5(3) . .
C65 C64 H64 119.8 . .
C63 C64 H64 119.8 . .
C64 C65 C66 119.8(3) . .
C64 C65 H65 120.1 . .
C66 C65 H65 120.1 . .
C61 C66 C65 120.0(3) . .
C61 C66 H66 120.0 . .
C65 C66 H66 120.0 . .
C68 C67 C69 120.0(3) . 3_565
C68 C67 H67 120.0 . .
C69 C67 H67 120.0 3_565 .
C69 C68 C67 120.1(3) . .
C69 C68 H68 119.9 . .
C67 C68 H68 119.9 . .
C68 C69 C67 119.9(3) . 3_565
C68 C69 H69 120.1 . .
C67 C69 H69 120.1 3_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru Si 2.2913(6) .
Ru P2 2.3250(5) .
Ru P1 2.3288(5) .
Ru P3 2.3382(6) .
Ru O1 2.3757(15) .
Ru B 2.468(2) .
Ru H1 1.77(2) .
Si C13 1.891(2) .
Si C7 1.893(2) .
Si C1 1.897(2) .
P1 C25 1.832(2) .
P1 C19 1.837(2) .
P1 C6 1.841(2) .
P2 C37 1.843(2) .
P2 C12 1.845(2) .
P2 C31 1.845(2) .
P3 C43 1.825(2) .
P3 C18 1.843(2) .
P3 C49 1.848(2) .
B O2 1.460(3) .
B O1 1.505(3) .
B C30 1.597(3) .
B H1 1.34(2) .
O1 C55 1.378(3) .
O2 C60 1.372(3) .
C1 C2 1.399(3) .
C1 C6 1.411(3) .
C2 C3 1.392(3) .
C2 H2 0.9500 .
C3 C4 1.384(3) .
C3 H3 0.9500 .
C4 C5 1.393(3) .
C4 H4 0.9500 .
C5 C6 1.400(3) .
C5 H5 0.9500 .
C7 C12 1.398(3) .
C7 C8 1.411(3) .
C8 C9 1.389(3) .
C8 H8 0.9500 .
C9 C10 1.389(3) .
C9 H9 0.9500 .
C10 C11 1.377(3) .
C10 H10 0.9500 .
C11 C12 1.402(3) .
C11 H11 0.9500 .
C13 C18 1.405(3) .
C13 C14 1.408(3) .
C14 C15 1.385(3) .
C14 H14 0.9500 .
C15 C16 1.390(3) .
C15 H15 0.9500 .
C16 C17 1.384(3) .
C16 H16 0.9500 .
C17 C18 1.401(3) .
C17 H17 0.9500 .
C19 C20 1.393(3) .
C19 C24 1.397(3) .
C20 C21 1.390(3) .
C20 H20 0.9500 .
C21 C22 1.378(4) .
C21 H21 0.9500 .
C22 C23 1.382(4) .
C22 H22 0.9500 .
C23 C24 1.391(3) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.401(3) .
C25 C30 1.406(3) .
C26 C27 1.393(3) .
C26 H26 0.9500 .
C27 C28 1.381(4) .
C27 H27 0.9500 .
C28 C29 1.395(3) .
C28 H28 0.9500 .
C29 C30 1.402(3) .
C29 H29 0.9500 .
C31 C36 1.392(3) .
C31 C32 1.397(3) .
C32 C33 1.389(3) .
C32 H32 0.9500 .
C33 C34 1.378(4) .
C33 H33 0.9500 .
C34 C35 1.370(4) .
C34 H34 0.9500 .
C35 C36 1.394(3) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 C38 1.397(3) .
C37 C42 1.398(3) .
C38 C39 1.402(3) .
C38 H38 0.9500 .
C39 C40 1.377(4) .
C39 H39 0.9500 .
C40 C41 1.384(4) .
C40 H40 0.9500 .
C41 C42 1.392(3) .
C41 H41 0.9500 .
C42 H42 0.9500 .
C43 C48 1.395(3) .
C43 C44 1.396(3) .
C44 C45 1.386(3) .
C44 H44 0.9500 .
C45 C46 1.381(4) .
C45 H45 0.9500 .
C46 C47 1.384(4) .
C46 H46 0.9500 .
C47 C48 1.395(3) .
C47 H47 0.9500 .
C48 H48 0.9500 .
C49 C54 1.387(3) .
C49 C50 1.403(3) .
C50 C51 1.383(3) .
C50 H50 0.9500 .
C51 C52 1.396(3) .
C51 H51 0.9500 .
C52 C53 1.381(3) .
C52 H52 0.9500 .
C53 C54 1.396(3) .
C53 H53 0.9500 .
C54 H54 0.9500 .
C55 C56 1.380(3) .
C55 C60 1.387(3) .
C56 C57 1.405(4) .
C56 H56 0.9500 .
C57 C58 1.375(4) .
C57 H57 0.9500 .
C58 C59 1.401(4) .
C58 H58 0.9500 .
C59 C60 1.383(3) .
C59 H59 0.9500 .
C61 C62 1.372(4) .
C61 C66 1.383(4) .
C61 H61 0.9500 .
C62 C63 1.388(4) .
C62 H62 0.9500 .
C63 C64 1.380(4) .
C63 H63 0.9500 .
C64 C65 1.377(5) .
C64 H64 0.9500 .
C65 C66 1.386(5) .
C65 H65 0.9500 .
C66 H66 0.9500 .
C67 C68 1.386(4) .
C67 C69 1.386(4) 3_565
C67 H67 0.9500 .
C68 C69 1.377(4) .
C68 H68 0.9500 .
C69 C67 1.386(4) 3_565
C69 H69 0.9500 .
