#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:50:59 +0100 (vie 25 de mar de 2016) $
#$Revision: 179734 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/30/7003012.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_7003012
loop_
_publ_author_name
'Rankin, Matthew A'
'Hesp, Kevin D'
'Schatte, Gabriele'
'McDonald, Robert'
'Stradiotto, Mark'
_publ_section_title
;
 Exploring the reactivity of a coordinatively unsaturated
 Cp*Ru(kappa(2)-P,O) complex with small molecule substrates:
 application in E-H bond activation (E = H, B, and Si).
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4756
_journal_page_last               4765
_journal_paper_doi               10.1039/b903420j
_journal_year                    2009
_chemical_formula_moiety         'C34 H48 B O P Ru'
_chemical_formula_sum            'C34 H48 B O P Ru'
_chemical_formula_weight         615.57
_chemical_name_systematic
;
?
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 96.8204(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.6050(6)
_cell_length_b                   12.3491(8)
_cell_length_c                   13.2765(9)
_cell_measurement_reflns_used    6224
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.26
_cell_volume                     1563.62(18)
_computing_cell_refinement       'Bruker SAINT (Bruker, 1997)'
_computing_data_collection       'Bruker SMART (Bruker, 1997)'
_computing_data_reduction        'Bruker SAINT (Bruker, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 1997)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-96 (Beurskens et al., 1996)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Bruker PLATFORM diffractometer/SMART 1000 CCD area detector'
_diffrn_measurement_method       'ω 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  0.0151
_diffrn_reflns_av_sigmaI/netI    0.0133
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13179
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.54
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.577
_exptl_absorpt_correction_T_max  0.8645
_exptl_absorpt_correction_T_min  0.7091
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.453
_refine_diff_density_min         -0.585
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     239
_refine_ls_number_reflns         3751
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.140
_refine_ls_R_factor_all          0.0281
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0406P)²+0.5359P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0733
_reflns_number_gt                3556
_reflns_number_total             3751
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            B903402J.txt
_cod_data_source_block           dal07e3
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7003012
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
Ru Ru 0.145187(16) 0.2500 0.295056(11) 0.02995(7) Uani 1 2 d S . .
H1 H 0.033(2) 0.3402(18) 0.3104(17) 0.052(6) Uiso 1 1 d . . .
P P 0.18203(7) 0.27161(5) 0.46893(5) 0.0194(2) Uani 0.50 1 d P A -1
O O -0.15482(15) 0.2500 0.37774(11) 0.0312(3) Uani 1 2 d S . .
C1 C -0.2229(2) 0.2500 0.54532(15) 0.0274(4) Uani 1 2 d S . .
H1A H -0.2826 0.3154 0.5346 0.033 Uiso 0.50 1 calc PR A .
H1B H -0.2826 0.1846 0.5346 0.033 Uiso 0.50 1 calc PR . .
C2 C -0.1087(2) 0.2500 0.47679(15) 0.0254(4) Uani 1 2 d S A .
C3 C 0.0226(2) 0.2500 0.52869(14) 0.0243(4) Uani 1 2 d S . .
C3A C 0.0032(2) 0.2500 0.63827(16) 0.0298(4) Uani 1 2 d S A .
C4 C 0.0980(3) 0.2500 0.72608(18) 0.0489(7) Uani 1 2 d S . .
H4 H 0.1960 0.2500 0.7216 0.059 Uiso 1 2 calc SR A .
C5 C 0.0486(3) 0.2500 0.8206(2) 0.0614(9) Uani 1 2 d S A .
H5 H 0.1138 0.2500 0.8802 0.074 Uiso 1 2 calc SR . .
C6 C -0.0938(3) 0.2500 0.82939(19) 0.0547(8) Uani 1 2 d S . .
H6 H -0.1255 0.2500 0.8945 0.066 Uiso 1 2 calc SR A .
C7 C -0.1900(3) 0.2500 0.74225(18) 0.0398(5) Uani 1 2 d S A .
H7 H -0.2878 0.2500 0.7472 0.048 Uiso 1 2 calc SR . .
C7A C -0.1411(2) 0.2500 0.64852(16) 0.0293(4) Uani 1 2 d S A .
C10 C 0.3711(2) 0.2500 0.25561(17) 0.0382(5) Uani 1 2 d S . .
C11 C 0.29966(17) 0.34302(15) 0.21455(13) 0.0379(4) Uani 1 1 d . . .
C12 C 0.18512(16) 0.30722(13) 0.14202(11) 0.0311(3) Uani 1 1 d . . .
C13 C 0.5122(2) 0.2500 0.3186(2) 0.0554(8) Uani 1 2 d S . .
H13A H 0.5826 0.2803 0.2789 0.067 Uiso 0.50 1 calc PR A .
H13B H 0.5382 0.1756 0.3385 0.067 Uiso 0.50 1 calc PR . .
H13C H 0.5077 0.2941 0.3796 0.067 Uiso 0.50 1 calc PR . .
C14 C 0.3488(3) 0.4578(2) 0.2267(2) 0.0762(8) Uani 1 1 d . . .
H14A H 0.4106 0.4653 0.2905 0.091 Uiso 1 1 calc R A .
H14B H 0.2677 0.5058 0.2276 0.091 Uiso 1 1 calc R . .
H14C H 0.4002 0.4775 0.1699 0.091 Uiso 1 1 calc R . .
C15 C 0.0948(2) 0.38083(18) 0.07209(15) 0.0491(5) Uani 1 1 d . . .
H15A H 0.1402 0.3942 0.0110 0.059 Uiso 1 1 calc R A .
H15B H 0.0818 0.4497 0.1065 0.059 Uiso 1 1 calc R . .
H15C H 0.0033 0.3467 0.0531 0.059 Uiso 1 1 calc R . .
C21 C 0.2510(4) 0.3979(3) 0.5318(2) 0.0233(7) Uani 0.50 1 d P A -1
H21 H 0.2658 0.3841 0.6065 0.028 Uiso 0.50 1 calc PR A -1
C22 C 0.1420(4) 0.4881(3) 0.5126(3) 0.0382(7) Uani 0.50 1 d P A -1
H22A H 0.0529 0.4638 0.5342 0.046 Uiso 0.50 1 calc PR A -1
H22B H 0.1282 0.5055 0.4401 0.046 Uiso 0.50 1 calc PR A -1
H22C H 0.1748 0.5526 0.5513 0.046 Uiso 0.50 1 calc PR A -1
C23 C 0.3904(3) 0.4345(3) 0.4997(3) 0.0369(7) Uani 0.50 1 d P A -1
H23A H 0.4597 0.3765 0.5132 0.044 Uiso 0.50 1 calc PR A -1
H23B H 0.4229 0.4992 0.5382 0.044 Uiso 0.50 1 calc PR A -1
H23C H 0.3782 0.4513 0.4271 0.044 Uiso 0.50 1 calc PR A -1
C24 C 0.3078(3) 0.1639(3) 0.5210(2) 0.0247(5) Uani 0.50 1 d P A -1
H24 H 0.3779 0.1585 0.4713 0.030 Uiso 0.50 1 calc PR A -1
C25 C 0.2332(5) 0.0548(4) 0.5157(3) 0.0368(9) Uani 0.50 1 d P A -1
H25A H 0.1779 0.0467 0.4491 0.044 Uiso 0.50 1 calc PR A -1
H25B H 0.1708 0.0510 0.5689 0.044 Uiso 0.50 1 calc PR A -1
H25C H 0.3027 -0.0034 0.5255 0.044 Uiso 0.50 1 calc PR A -1
C26 C 0.3951(4) 0.1776(3) 0.6246(3) 0.0381(7) Uani 0.50 1 d P A -1
H26A H 0.4428 0.2479 0.6273 0.046 Uiso 0.50 1 calc SR A -1
H26B H 0.4650 0.1195 0.6346 0.046 Uiso 0.50 1 calc PR A -1
H26C H 0.3334 0.1740 0.6783 0.046 Uiso 0.50 1 calc PR A -1
C31 C -0.1841(2) 0.2500 0.19269(15) 0.0291(4) Uani 1 2 d S . .
C32 C -0.23951(16) 0.15241(15) 0.15030(11) 0.0340(3) Uani 1 1 d . A .
C33 C -0.34220(18) 0.15408(17) 0.06586(13) 0.0427(4) Uani 1 1 d . . .
H33 H -0.3772 0.0874 0.0374 0.051 Uiso 1 1 calc R A .
C34 C -0.3937(3) 0.2500 0.02298(19) 0.0484(7) Uani 1 2 d S . .
C35 C -0.1996(2) 0.04410(16) 0.19758(14) 0.0447(4) Uani 1 1 d . . .
H35A H -0.2398 0.0371 0.2617 0.054 Uiso 1 1 calc R A .
H35B H -0.0972 0.0387 0.2105 0.054 Uiso 1 1 calc R . .
H35C H -0.2357 -0.0139 0.1513 0.054 Uiso 1 1 calc R . .
C36 C -0.5086(4) 0.2500 -0.0661(3) 0.0733(11) Uani 1 2 d S . .
H36A H -0.5932 0.2837 -0.0456 0.088 Uiso 0.50 1 calc PR A .
H36B H -0.5295 0.1753 -0.0878 0.088 Uiso 0.50 1 calc PR . .
H36C H -0.4772 0.2910 -0.1224 0.088 Uiso 0.50 1 calc PR . .
B B -0.0741(2) 0.2500 0.29334(18) 0.0292(5) Uani 1 2 d S A .
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'
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
_geom_angle_publ_flag
B Ru C12 105.71(7) . 4_565 ?
B Ru C12 105.71(7) . . ?
C12 Ru C12 37.00(8) 4_565 . ?
B Ru C11 135.42(6) . . ?
C12 Ru C11 62.15(6) 4_565 . ?
C12 Ru C11 37.64(6) . . ?
B Ru C11 135.42(6) . 4_565 ?
C12 Ru C11 37.64(6) 4_565 4_565 ?
C12 Ru C11 62.15(6) . 4_565 ?
C11 Ru C11 61.55(9) . 4_565 ?
B Ru C10 166.27(9) . . ?
C12 Ru C10 61.39(7) 4_565 . ?
C12 Ru C10 61.39(7) . . ?
C11 Ru C10 36.30(6) . . ?
C11 Ru C10 36.30(6) 4_565 . ?
B Ru P 92.59(7) . . ?
C12 Ru P 157.85(5) 4_565 . ?
C12 Ru P 148.53(5) . . ?
C11 Ru P 112.67(5) . . ?
C11 Ru P 120.24(5) 4_565 . ?
C10 Ru P 101.04(6) . . ?
C3 P C21 101.58(11) . . ?
C3 P C24 105.86(11) . . ?
C21 P C24 104.53(17) . . ?
C3 P Ru 112.36(7) . . ?
C21 P Ru 123.48(12) . . ?
C24 P Ru 107.60(9) . . ?
C2 O B 128.37(16) . . ?
C7A C1 C2 102.23(16) . . ?
O C2 C3 132.52(18) . . ?
O C2 C1 114.45(17) . . ?
C3 C2 C1 113.02(17) . . ?
C2 C3 C3A 106.17(17) . . ?
C2 C3 P 123.61(15) . . ?
C3A C3 P 129.29(15) . . ?
C4 C3A C7A 118.2(2) . . ?
C4 C3A C3 132.3(2) . . ?
C7A C3A C3 109.46(18) . . ?
C3A C4 C5 119.7(2) . . ?
C6 C5 C4 121.4(2) . . ?
C5 C6 C7 119.6(2) . . ?
C7A C7 C6 119.1(2) . . ?
C7 C7A C3A 122.0(2) . . ?
C7 C7A C1 128.8(2) . . ?
C3A C7A C1 109.12(18) . . ?
C11 C10 C11 108.7(2) 4_565 . ?
C11 C10 C13 125.31(10) 4_565 . ?
C11 C10 C13 125.31(10) . . ?
C11 C10 Ru 70.03(11) 4_565 . ?
C11 C10 Ru 70.03(11) . . ?
C13 C10 Ru 133.39(16) . . ?
C10 C11 C12 107.77(15) . . ?
C10 C11 C14 126.55(18) . . ?
C12 C11 C14 124.59(19) . . ?
C10 C11 Ru 73.67(11) . . ?
C12 C11 Ru 70.51(9) . . ?
C14 C11 Ru 130.62(15) . . ?
C12 C12 C11 107.85(10) 4_565 . ?
C12 C12 C15 127.31(11) 4_565 . ?
C11 C12 C15 124.51(16) . . ?
C12 C12 Ru 71.50(4) 4_565 . ?
C11 C12 Ru 71.86(9) . . ?
C15 C12 Ru 127.40(11) . . ?
C23 C21 C22 110.2(3) . . ?
C23 C21 P 113.8(2) . . ?
C22 C21 P 109.6(2) . . ?
C25 C24 C26 110.1(3) . . ?
C25 C24 P 109.4(2) . . ?
C26 C24 P 120.9(2) . . ?
C32 C31 C32 117.8(2) . 4_565 ?
C32 C31 B 120.94(10) . . ?
C32 C31 B 120.94(10) 4_565 . ?
C33 C32 C31 120.23(17) . . ?
C33 C32 C35 117.76(16) . . ?
C31 C32 C35 121.85(14) . . ?
C34 C33 C32 121.73(18) . . ?
C33 C34 C33 118.2(2) 4_565 . ?
C33 C34 C36 120.85(11) 4_565 . ?
C33 C34 C36 120.85(11) . . ?
O B C31 106.67(17) . . ?
O B Ru 128.62(15) . . ?
C31 B Ru 124.71(15) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru B 2.103(2) . ?
Ru C12 2.2270(14) 4_565 ?
Ru C12 2.2270(14) . ?
Ru C11 2.2450(16) . ?
Ru C11 2.2450(16) 4_565 ?
Ru C10 2.292(2) . ?
Ru P 2.3090(7) . ?
P C3 1.826(2) . ?
P C21 1.854(4) . ?
P C24 1.873(3) . ?
O C2 1.337(2) . ?
O B 1.437(3) . ?
C1 C7A 1.497(3) . ?
C1 C2 1.506(3) . ?
C2 C3 1.363(3) . ?
C3 C3A 1.489(3) . ?
C3A C4 1.391(3) . ?
C3A C7A 1.408(3) . ?
C4 C5 1.393(4) . ?
C5 C6 1.386(4) . ?
C6 C7 1.392(4) . ?
C7 C7A 1.381(3) . ?
C10 C11 1.414(2) 4_565 ?
C10 C11 1.414(2) . ?
C10 C13 1.506(3) . ?
C11 C12 1.443(2) . ?
C11 C14 1.497(3) . ?
C12 C12 1.413(3) 4_565 ?
C12 C15 1.500(2) . ?
C21 C23 1.520(4) . ?
C21 C22 1.529(5) . ?
C24 C25 1.523(5) . ?
C24 C26 1.534(4) . ?
C31 C32 1.408(2) . ?
C31 C32 1.408(2) 4_565 ?
C31 B 1.602(3) . ?
C32 C33 1.403(2) . ?
C32 C35 1.508(3) . ?
C33 C34 1.380(2) . ?
C34 C33 1.380(2) 4_565 ?
C34 C36 1.518(3) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
B H1 Ru 1.51(2) 1.58(2) 2.103(2) 85.6(11) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B Ru P C3 12.24(3) . . . . ?
C12 Ru P C3 -133.90(12) 4_565 . . . ?
C12 Ru P C3 138.63(8) . . . . ?
C11 Ru P C3 154.58(6) . . . . ?
C11 Ru P C3 -136.16(6) 4_565 . . . ?
C10 Ru P C3 -169.36(3) . . . . ?
B Ru P C21 -109.91(14) . . . . ?
C12 Ru P C21 103.94(18) 4_565 . . . ?
C12 Ru P C21 16.47(17) . . . . ?
C11 Ru P C21 32.42(15) . . . . ?
C11 Ru P C21 101.68(15) 4_565 . . . ?
C10 Ru P C21 68.48(14) . . . . ?
B Ru P C24 128.39(11) . . . . ?
C12 Ru P C24 -17.76(16) 4_565 . . . ?
C12 Ru P C24 -105.22(13) . . . . ?
C11 Ru P C24 -89.27(12) . . . . ?
C11 Ru P C24 -20.01(12) 4_565 . . . ?
C10 Ru P C24 -53.22(11) . . . . ?
B O C2 C3 0.0 . . . . ?
B O C2 C1 180.0 . . . . ?
C7A C1 C2 O 180.0 . . . . ?
C7A C1 C2 C3 0.0 . . . . ?
O C2 C3 C3A 180.0 . . . . ?
C1 C2 C3 C3A 0.0 . . . . ?
O C2 C3 P 10.10(3) . . . . ?
C1 C2 C3 P -169.90(3) . . . . ?
C21 P C3 C2 117.46(13) . . . . ?
C24 P C3 C2 -133.60(10) . . . . ?
Ru P C3 C2 -16.42(5) . . . . ?
C21 P C3 C3A -49.96(14) . . . . ?
C24 P C3 C3A 58.97(11) . . . . ?
Ru P C3 C3A 176.16(3) . . . . ?
C2 C3 C3A C4 180.0 . . . . ?
P C3 C3A C4 -10.88(4) . . . . ?
C2 C3 C3A C7A 0.0 . . . . ?
P C3 C3A C7A 169.12(4) . . . . ?
C7A C3A C4 C5 0.000(1) . . . . ?
C3 C3A C4 C5 180.0 . . . . ?
C3A C4 C5 C6 0.000(1) . . . . ?
C4 C5 C6 C7 0.000(1) . . . . ?
C5 C6 C7 C7A 0.000(1) . . . . ?
C6 C7 C7A C3A 0.0 . . . . ?
C6 C7 C7A C1 180.0 . . . . ?
C4 C3A C7A C7 0.0 . . . . ?
C3 C3A C7A C7 180.0 . . . . ?
C4 C3A C7A C1 180.0 . . . . ?
C3 C3A C7A C1 0.0 . . . . ?
C2 C1 C7A C7 180.0 . . . . ?
C2 C1 C7A C3A 0.0 . . . . ?
B Ru C10 C11 -59.81(10) . . . 4_565 ?
C12 Ru C10 C11 -38.63(10) 4_565 . . 4_565 ?
C12 Ru C10 C11 -81.00(12) . . . 4_565 ?
C11 Ru C10 C11 -119.6(2) . . . 4_565 ?
P Ru C10 C11 126.95(10) . . . 4_565 ?
B Ru C10 C11 59.81(10) . . . . ?
C12 Ru C10 C11 81.00(12) 4_565 . . . ?
C12 Ru C10 C11 38.63(10) . . . . ?
C11 Ru C10 C11 119.6(2) 4_565 . . . ?
P Ru C10 C11 -113.43(10) . . . . ?
B Ru C10 C13 180.0 . . . . ?
C12 Ru C10 C13 -158.81(5) 4_565 . . . ?
C12 Ru C10 C13 158.81(5) . . . . ?
C11 Ru C10 C13 120.19(10) . . . . ?
C11 Ru C10 C13 -120.19(10) 4_565 . . . ?
P Ru C10 C13 6.762(15) . . . . ?
C11 C10 C11 C12 -3.1(2) 4_565 . . . ?
C13 C10 C11 C12 167.7(2) . . . . ?
Ru C10 C11 C12 -62.67(11) . . . . ?
C11 C10 C11 C14 -171.56(16) 4_565 . . . ?
C13 C10 C11 C14 -0.8(3) . . . . ?
Ru C10 C11 C14 128.9(2) . . . . ?
C11 C10 C11 Ru 59.59(15) 4_565 . . . ?
C13 C10 C11 Ru -129.7(2) . . . . ?
B Ru C11 C10 -163.00(11) . . . . ?
C12 Ru C11 C10 -78.73(11) 4_565 . . . ?
C12 Ru C11 C10 -116.17(15) . . . . ?
C11 Ru C11 C10 -35.82(12) 4_565 . . . ?
P Ru C11 C10 77.41(11) . . . . ?
B Ru C11 C12 -46.83(14) . . . . ?
C12 Ru C11 C12 37.44(10) 4_565 . . . ?
C11 Ru C11 C12 80.36(10) 4_565 . . . ?
C10 Ru C11 C12 116.17(15) . . . . ?
P Ru C11 C12 -166.41(8) . . . . ?
B Ru C11 C14 72.5(2) . . . . ?
C12 Ru C11 C14 156.8(2) 4_565 . . . ?
C12 Ru C11 C14 119.3(2) . . . . ?
C11 Ru C11 C14 -160.31(19) 4_565 . . . ?
C10 Ru C11 C14 -124.5(2) . . . . ?
P Ru C11 C14 -47.1(2) . . . . ?
C10 C11 C12 C12 1.89(15) . . . 4_565 ?
C14 C11 C12 C12 170.65(17) . . . 4_565 ?
Ru C11 C12 C12 -62.85(4) . . . 4_565 ?
C10 C11 C12 C15 -171.86(16) . . . . ?
C14 C11 C12 C15 -3.1(3) . . . . ?
Ru C11 C12 C15 123.39(16) . . . . ?
C10 C11 C12 Ru 64.74(13) . . . . ?
C14 C11 C12 Ru -126.50(19) . . . . ?
B Ru C12 C12 -95.40(3) . . . 4_565 ?
C11 Ru C12 C12 116.72(9) . . . 4_565 ?
C11 Ru C12 C12 38.09(6) 4_565 . . 4_565 ?
C10 Ru C12 C12 79.49(4) . . . 4_565 ?
P Ru C12 C12 141.26(8) . . . 4_565 ?
B Ru C12 C11 147.88(9) . . . . ?
C12 Ru C12 C11 -116.72(9) 4_565 . . . ?
C11 Ru C12 C11 -78.63(14) 4_565 . . . ?
C10 Ru C12 C11 -37.24(9) . . . . ?
P Ru C12 C11 24.54(15) . . . . ?
B Ru C12 C15 27.88(17) . . . . ?
C12 Ru C12 C15 123.28(15) 4_565 . . . ?
C11 Ru C12 C15 -120.0(2) . . . . ?
C11 Ru C12 C15 161.37(18) 4_565 . . . ?
C10 Ru C12 C15 -157.24(18) . . . . ?
P Ru C12 C15 -95.47(17) . . . . ?
C3 P C21 C23 177.6(3) . . . . ?
C24 P C21 C23 67.6(3) . . . . ?
Ru P C21 C23 -55.5(3) . . . . ?
C3 P C21 C22 -58.5(2) . . . . ?
C24 P C21 C22 -168.5(2) . . . . ?
Ru P C21 C22 68.4(3) . . . . ?
C3 P C24 C25 47.4(3) . . . . ?
C21 P C24 C25 154.2(2) . . . . ?
Ru P C24 C25 -72.9(2) . . . . ?
C3 P C24 C26 -81.9(3) . . . . ?
C21 P C24 C26 24.9(3) . . . . ?
Ru P C24 C26 157.8(2) . . . . ?
C32 C31 C32 C33 2.7(3) 4_565 . . . ?
B C31 C32 C33 176.04(17) . . . . ?
C32 C31 C32 C35 -172.75(12) 4_565 . . . ?
B C31 C32 C35 0.6(3) . . . . ?
C31 C32 C33 C34 -1.2(3) . . . . ?
C35 C32 C33 C34 174.5(2) . . . . ?
C32 C33 C34 C33 -0.5(4) . . . 4_565 ?
C32 C33 C34 C36 -177.8(3) . . . . ?
C2 O B C31 180.0 . . . . ?
C2 O B Ru 0.0 . . . . ?
C32 C31 B O -86.56(16) . . . . ?
C32 C31 B O 86.56(16) 4_565 . . . ?
C32 C31 B Ru 93.44(16) . . . . ?
C32 C31 B Ru -93.44(16) 4_565 . . . ?
C12 Ru B O 160.76(4) 4_565 . . . ?
C12 Ru B O -160.76(4) . . . . ?
C11 Ru B O -133.20(8) . . . . ?
C11 Ru B O 133.20(8) 4_565 . . . ?
C10 Ru B O 180.0 . . . . ?
P Ru B O -6.643(15) . . . . ?
C12 Ru B C31 -19.24(4) 4_565 . . . ?
C12 Ru B C31 19.24(4) . . . . ?
C11 Ru B C31 46.80(8) . . . . ?
C11 Ru B C31 -46.80(8) 4_565 . . . ?
C10 Ru B C31 0.0 . . . . ?
P Ru B C31 173.357(15) . . . . ?
