#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:16:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179102 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/64/4306489.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_4306489
loop_
_publ_author_name
'Kevin D. Hesp'
'Matthew A. Rankin'
'Robert McDonald'
'Mark Stradiotto'
_publ_section_title
;
Synthesis and Characterization of a Cationic Ruthenium Complex Featuring an
Unusual Bis(η2-BH) Monoborane Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7471
_journal_page_last               7473
_journal_paper_doi               10.1021/ic801300m
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C28 H49 B Cl P Ru'
_chemical_formula_sum            'C28 H49 B Cl P Ru'
_chemical_formula_weight         563.97
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 106.1982(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.007(2)
_cell_length_b                   10.4284(14)
_cell_length_c                   18.504(3)
_cell_measurement_reflns_used    5054
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.31
_cell_measurement_theta_min      2.26
_cell_volume                     2966.2(7)
_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 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0282
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20204
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.26
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.686
_exptl_absorpt_correction_T_max  0.9161
_exptl_absorpt_correction_T_min  0.6999
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.600
_refine_diff_density_min         -0.282
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         6740
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0302
_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)+(0.0382P)²+1.0162P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0715
_refine_ls_wR_factor_ref         0.0761
_reflns_number_gt                5718
_reflns_number_total             6740
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic801300m_si_003_1.cif
_cod_data_source_block           dal07f7
_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_cell_volume        2966.1(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4306489
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Ru Ru 0.260055(10) 0.133500(14) 0.237009(9) 0.02268(6) Uani 1 1 d . . .
H1 H 0.1900(16) 0.097(2) 0.1570(14) 0.046(7) Uiso 1 1 d . . .
H2 H 0.2991(16) 0.188(2) 0.1652(14) 0.047(7) Uiso 1 1 d . . .
Cl Cl 0.18721(4) 0.22523(6) 0.03678(3) 0.04679(15) Uani 1 1 d . . .
P P 0.19503(3) 0.33628(5) 0.23788(3) 0.02682(12) Uani 1 1 d . . .
C10 C 0.32778(13) 0.11448(19) 0.36057(12) 0.0279(4) Uani 1 1 d . . .
C11 C 0.38307(13) 0.0671(2) 0.31845(12) 0.0298(4) Uani 1 1 d . . .
C12 C 0.34177(14) -0.0416(2) 0.27553(12) 0.0310(5) Uani 1 1 d . . .
C13 C 0.25908(14) -0.05625(19) 0.28919(12) 0.0313(5) Uani 1 1 d . . .
C14 C 0.24979(14) 0.0394(2) 0.34159(12) 0.0294(4) Uani 1 1 d . . .
C15 C 0.35688(16) 0.2026(2) 0.42712(13) 0.0389(5) Uani 1 1 d . . .
H15A H 0.3881 0.1531 0.4715 0.047 Uiso 1 1 calc R . .
H15B H 0.3060 0.2437 0.4367 0.047 Uiso 1 1 calc R . .
H15C H 0.3956 0.2684 0.4165 0.047 Uiso 1 1 calc R . .
C16 C 0.47456(15) 0.1108(3) 0.32653(15) 0.0438(6) Uani 1 1 d . . .
H16A H 0.5151 0.0570 0.3638 0.053 Uiso 1 1 calc R . .
H16B H 0.4809 0.2003 0.3432 0.053 Uiso 1 1 calc R . .
H16C H 0.4874 0.1034 0.2779 0.053 Uiso 1 1 calc R . .
C17 C 0.38576(18) -0.1354(2) 0.23680(14) 0.0449(6) Uani 1 1 d . . .
H17A H 0.4260 -0.0895 0.2146 0.054 Uiso 1 1 calc R . .
H17B H 0.3419 -0.1797 0.1970 0.054 Uiso 1 1 calc R . .
H17C H 0.4181 -0.1982 0.2734 0.054 Uiso 1 1 calc R . .
C18 C 0.19650(19) -0.1630(2) 0.26104(17) 0.0503(7) Uani 1 1 d . . .
H18A H 0.2038 -0.2286 0.3002 0.060 Uiso 1 1 calc R . .
H18B H 0.2077 -0.2009 0.2162 0.060 Uiso 1 1 calc R . .
H18C H 0.1369 -0.1297 0.2482 0.060 Uiso 1 1 calc R . .
C19 C 0.18110(16) 0.0369(2) 0.38284(15) 0.0430(6) Uani 1 1 d . . .
H19A H 0.1255 0.0103 0.3483 0.052 Uiso 1 1 calc R . .
H19B H 0.1751 0.1226 0.4024 0.052 Uiso 1 1 calc R . .
H19C H 0.1980 -0.0240 0.4247 0.052 Uiso 1 1 calc R . .
C21 C 0.15955(15) 0.3685(2) 0.32445(13) 0.0339(5) Uani 1 1 d . . .
H21 H 0.2014 0.3204 0.3658 0.041 Uiso 1 1 calc R . .
C22 C 0.07018(16) 0.3103(3) 0.31873(16) 0.0473(6) Uani 1 1 d . . .
H22A H 0.0698 0.2201 0.3038 0.057 Uiso 1 1 calc R . .
H22B H 0.0255 0.3573 0.2810 0.057 Uiso 1 1 calc R . .
H22C H 0.0581 0.3163 0.3677 0.057 Uiso 1 1 calc R . .
C23 C 0.16177(19) 0.5071(2) 0.35237(16) 0.0510(7) Uani 1 1 d . . .
H23A H 0.2197 0.5434 0.3581 0.061 Uiso 1 1 calc R . .
H23B H 0.1486 0.5086 0.4010 0.061 Uiso 1 1 calc R . .
H23C H 0.1183 0.5581 0.3158 0.061 Uiso 1 1 calc R . .
C24 C 0.10113(15) 0.3796(2) 0.15649(14) 0.0368(5) Uani 1 1 d . . .
H24 H 0.1259 0.3814 0.1125 0.044 Uiso 1 1 calc R . .
C25 C 0.02824(16) 0.2799(3) 0.13519(16) 0.0494(6) Uani 1 1 d . . .
H25A H 0.0536 0.1942 0.1357 0.059 Uiso 1 1 calc R . .
H25B H -0.0095 0.2985 0.0847 0.059 Uiso 1 1 calc R . .
H25C H -0.0060 0.2830 0.1715 0.059 Uiso 1 1 calc R . .
C26 C 0.06321(17) 0.5143(2) 0.15821(17) 0.0499(7) Uani 1 1 d . . .
H26A H 0.1107 0.5765 0.1739 0.060 Uiso 1 1 calc R . .
H26B H 0.0281 0.5158 0.1940 0.060 Uiso 1 1 calc R . .
H26C H 0.0265 0.5366 0.1079 0.060 Uiso 1 1 calc R . .
C27 C 0.26997(14) 0.4728(2) 0.23619(14) 0.0366(5) Uani 1 1 d . . .
H27 H 0.2401 0.5533 0.2447 0.044 Uiso 1 1 calc R . .
C28 C 0.35413(16) 0.4619(3) 0.29969(16) 0.0514(7) Uani 1 1 d . . .
H28A H 0.3404 0.4560 0.3480 0.062 Uiso 1 1 calc R . .
H28B H 0.3902 0.5378 0.2997 0.062 Uiso 1 1 calc R . .
H28C H 0.3858 0.3849 0.2922 0.062 Uiso 1 1 calc R . .
C29 C 0.29120(17) 0.4870(2) 0.16100(16) 0.0496(7) Uani 1 1 d . . .
H29A H 0.2371 0.4969 0.1205 0.059 Uiso 1 1 calc R . .
H29B H 0.3222 0.4105 0.1517 0.059 Uiso 1 1 calc R . .
H29C H 0.3279 0.5628 0.1627 0.059 Uiso 1 1 calc R . .
C31 C 0.27938(15) -0.0005(2) 0.08046(12) 0.0324(5) Uani 1 1 d . . .
C32 C 0.22753(16) -0.1083(2) 0.05304(13) 0.0391(5) Uani 1 1 d . . .
C33 C 0.26161(17) -0.2089(2) 0.02005(14) 0.0456(6) Uani 1 1 d . . .
H33 H 0.2266 -0.2823 0.0030 0.055 Uiso 1 1 calc R . .
C34 C 0.34464(18) -0.2047(3) 0.01149(14) 0.0460(6) Uani 1 1 d . . .
C35 C 0.39456(16) -0.0975(2) 0.03677(13) 0.0414(6) Uani 1 1 d . . .
H35 H 0.4516 -0.0929 0.0308 0.050 Uiso 1 1 calc R . .
C36 C 0.36375(15) 0.0045(2) 0.07082(12) 0.0338(5) Uani 1 1 d . . .
C37 C 0.13321(17) -0.1155(3) 0.05469(16) 0.0506(7) Uani 1 1 d . . .
H37A H 0.1296 -0.0954 0.1055 0.061 Uiso 1 1 calc R . .
H37B H 0.1108 -0.2022 0.0408 0.061 Uiso 1 1 calc R . .
H37C H 0.0985 -0.0536 0.0188 0.061 Uiso 1 1 calc R . .
C38 C 0.3788(2) -0.3137(3) -0.02667(18) 0.0670(9) Uani 1 1 d . . .
H38A H 0.3542 -0.3070 -0.0813 0.080 Uiso 1 1 calc R . .
H38B H 0.3619 -0.3959 -0.0093 0.080 Uiso 1 1 calc R . .
H38C H 0.4424 -0.3085 -0.0141 0.080 Uiso 1 1 calc R . .
C39 C 0.42283(15) 0.1185(2) 0.09711(13) 0.0381(5) Uani 1 1 d . . .
H39A H 0.4412 0.1208 0.1522 0.046 Uiso 1 1 calc R . .
H39B H 0.3915 0.1976 0.0778 0.046 Uiso 1 1 calc R . .
H39C H 0.4741 0.1109 0.0783 0.046 Uiso 1 1 calc R . .
B B 0.24366(16) 0.1171(2) 0.11735(14) 0.0311(5) Uani 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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 C13 111.35(9) . . ?
B Ru C14 147.31(9) . . ?
C13 Ru C14 37.67(8) . . ?
B Ru C11 119.97(9) . . ?
C13 Ru C11 62.49(8) . . ?
C14 Ru C11 62.55(8) . . ?
B Ru C12 98.89(8) . . ?
C13 Ru C12 37.32(8) . . ?
C14 Ru C12 62.66(8) . . ?
C11 Ru C12 37.43(8) . . ?
B Ru C10 156.96(9) . . ?
C13 Ru C10 62.34(8) . . ?
C14 Ru C10 37.40(8) . . ?
C11 Ru C10 36.99(7) . . ?
C12 Ru C10 62.11(7) . . ?
B Ru P 98.63(7) . . ?
C13 Ru P 138.15(6) . . ?
C14 Ru P 104.52(6) . . ?
C11 Ru P 125.57(6) . . ?
C12 Ru P 161.21(6) . . ?
C10 Ru P 99.24(5) . . ?
C24 P C27 100.29(10) . . ?
C24 P C21 106.20(11) . . ?
C27 P C21 103.11(10) . . ?
C24 P Ru 118.05(7) . . ?
C27 P Ru 113.37(7) . . ?
C21 P Ru 113.98(7) . . ?
C11 C10 C14 108.01(18) . . ?
C11 C10 C15 124.32(19) . . ?
C14 C10 C15 125.82(19) . . ?
C11 C10 Ru 70.75(12) . . ?
C14 C10 Ru 70.06(12) . . ?
C15 C10 Ru 136.93(15) . . ?
C10 C11 C12 108.46(18) . . ?
C10 C11 C16 125.4(2) . . ?
C12 C11 C16 125.5(2) . . ?
C10 C11 Ru 72.25(12) . . ?
C12 C11 Ru 71.80(12) . . ?
C16 C11 Ru 128.80(16) . . ?
C13 C12 C11 107.11(18) . . ?
C13 C12 C17 126.8(2) . . ?
C11 C12 C17 125.1(2) . . ?
C13 C12 Ru 69.83(11) . . ?
C11 C12 Ru 70.77(11) . . ?
C17 C12 Ru 133.56(16) . . ?
C12 C13 C14 108.89(18) . . ?
C12 C13 C18 125.8(2) . . ?
C14 C13 C18 124.9(2) . . ?
C12 C13 Ru 72.84(12) . . ?
C14 C13 Ru 71.64(11) . . ?
C18 C13 Ru 127.13(17) . . ?
C13 C14 C10 107.45(18) . . ?
C13 C14 C19 124.2(2) . . ?
C10 C14 C19 126.6(2) . . ?
C13 C14 Ru 70.68(12) . . ?
C10 C14 Ru 72.55(12) . . ?
C19 C14 Ru 133.93(16) . . ?
C22 C21 C23 109.3(2) . . ?
C22 C21 P 111.73(17) . . ?
C23 C21 P 118.27(17) . . ?
C25 C24 C26 110.50(19) . . ?
C25 C24 P 115.37(17) . . ?
C26 C24 P 116.12(18) . . ?
C28 C27 C29 109.6(2) . . ?
C28 C27 P 111.33(16) . . ?
C29 C27 P 113.34(17) . . ?
C32 C31 C36 118.3(2) . . ?
C32 C31 B 121.8(2) . . ?
C36 C31 B 119.9(2) . . ?
C33 C32 C31 119.6(2) . . ?
C33 C32 C37 118.8(2) . . ?
C31 C32 C37 121.5(2) . . ?
C34 C33 C32 122.1(2) . . ?
C35 C34 C33 118.1(2) . . ?
C35 C34 C38 121.0(3) . . ?
C33 C34 C38 120.8(3) . . ?
C34 C35 C36 121.8(2) . . ?
C35 C36 C31 120.0(2) . . ?
C35 C36 C39 118.5(2) . . ?
C31 C36 C39 121.56(19) . . ?
C31 B Cl 105.83(16) . . ?
C31 B Ru 123.13(16) . . ?
Cl B Ru 131.03(13) . . ?
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 2.162(3) . ?
Ru C13 2.204(2) . ?
Ru C14 2.216(2) . ?
Ru C11 2.230(2) . ?
Ru C12 2.243(2) . ?
Ru C10 2.249(2) . ?
Ru P 2.3589(6) . ?
Cl B 1.887(3) . ?
P C24 1.862(2) . ?
P C27 1.868(2) . ?
P C21 1.873(2) . ?
C10 C11 1.421(3) . ?
C10 C14 1.432(3) . ?
C10 C15 1.502(3) . ?
C11 C12 1.435(3) . ?
C11 C16 1.501(3) . ?
C12 C13 1.423(3) . ?
C12 C17 1.499(3) . ?
C13 C14 1.427(3) . ?
C13 C18 1.491(3) . ?
C14 C19 1.504(3) . ?
C21 C22 1.530(3) . ?
C21 C23 1.532(3) . ?
C24 C25 1.531(3) . ?
C24 C26 1.534(3) . ?
C27 C28 1.525(3) . ?
C27 C29 1.529(3) . ?
C31 C32 1.405(3) . ?
C31 C36 1.412(3) . ?
C31 B 1.586(3) . ?
C32 C33 1.398(3) . ?
C32 C37 1.520(4) . ?
C33 C34 1.382(4) . ?
C34 C35 1.378(4) . ?
C34 C38 1.518(3) . ?
C35 C36 1.395(3) . ?
C36 C39 1.512(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 1.29(2) 1.63(3) 2.162(3) 94.5(15) .
B H2 Ru 1.30(3) 1.71(3) 2.162(3) 90.8(14) .
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 C24 34.48(11) . . . . ?
C13 Ru P C24 -101.68(13) . . . . ?
C14 Ru P C24 -122.25(11) . . . . ?
C11 Ru P C24 171.34(11) . . . . ?
C12 Ru P C24 -166.9(2) . . . . ?
C10 Ru P C24 -160.13(10) . . . . ?
B Ru P C27 -82.31(11) . . . . ?
C13 Ru P C27 141.53(12) . . . . ?
C14 Ru P C27 120.96(10) . . . . ?
C11 Ru P C27 54.55(11) . . . . ?
C12 Ru P C27 76.3(2) . . . . ?
C10 Ru P C27 83.09(10) . . . . ?
B Ru P C21 160.13(11) . . . . ?
C13 Ru P C21 23.97(12) . . . . ?
C14 Ru P C21 3.41(10) . . . . ?
C11 Ru P C21 -63.00(11) . . . . ?
C12 Ru P C21 -41.2(2) . . . . ?
C10 Ru P C21 -34.47(10) . . . . ?
B Ru C10 C11 0.7(3) . . . . ?
C13 Ru C10 C11 80.15(13) . . . . ?
C14 Ru C10 C11 118.36(17) . . . . ?
C12 Ru C10 C11 37.75(12) . . . . ?
P Ru C10 C11 -139.78(11) . . . . ?
B Ru C10 C14 -117.7(2) . . . . ?
C13 Ru C10 C14 -38.21(12) . . . . ?
C11 Ru C10 C14 -118.36(17) . . . . ?
C12 Ru C10 C14 -80.61(13) . . . . ?
P Ru C10 C14 101.86(11) . . . . ?
B Ru C10 C15 120.7(3) . . . . ?
C13 Ru C10 C15 -159.8(2) . . . . ?
C14 Ru C10 C15 -121.6(3) . . . . ?
C11 Ru C10 C15 120.1(3) . . . . ?
C12 Ru C10 C15 157.8(2) . . . . ?
P Ru C10 C15 -19.7(2) . . . . ?
C14 C10 C11 C12 -2.7(2) . . . . ?
C15 C10 C11 C12 162.6(2) . . . . ?
Ru C10 C11 C12 -63.09(14) . . . . ?
C14 C10 C11 C16 -174.1(2) . . . . ?
C15 C10 C11 C16 -8.9(3) . . . . ?
Ru C10 C11 C16 125.4(2) . . . . ?
C14 C10 C11 Ru 60.44(14) . . . . ?
C15 C10 C11 Ru -134.3(2) . . . . ?
B Ru C11 C10 -179.70(12) . . . . ?
C13 Ru C11 C10 -79.71(13) . . . . ?
C14 Ru C11 C10 -37.03(12) . . . . ?
C12 Ru C11 C10 -117.08(18) . . . . ?
P Ru C11 C10 51.59(14) . . . . ?
B Ru C11 C12 -62.62(15) . . . . ?
C13 Ru C11 C12 37.37(12) . . . . ?
C14 Ru C11 C12 80.05(13) . . . . ?
C10 Ru C11 C12 117.08(18) . . . . ?
P Ru C11 C12 168.67(10) . . . . ?
B Ru C11 C16 58.7(2) . . . . ?
C13 Ru C11 C16 158.7(2) . . . . ?
C14 Ru C11 C16 -158.6(2) . . . . ?
C12 Ru C11 C16 121.3(3) . . . . ?
C10 Ru C11 C16 -121.6(3) . . . . ?
P Ru C11 C16 -70.0(2) . . . . ?
C10 C11 C12 C13 2.7(2) . . . . ?
C16 C11 C12 C13 174.2(2) . . . . ?
Ru C11 C12 C13 -60.70(14) . . . . ?
C10 C11 C12 C17 -166.3(2) . . . . ?
C16 C11 C12 C17 5.2(3) . . . . ?
Ru C11 C12 C17 130.3(2) . . . . ?
C10 C11 C12 Ru 63.38(15) . . . . ?
C16 C11 C12 Ru -125.1(2) . . . . ?
B Ru C12 C13 -113.74(14) . . . . ?
C14 Ru C12 C13 37.67(12) . . . . ?
C11 Ru C12 C13 117.39(18) . . . . ?
C10 Ru C12 C13 80.08(13) . . . . ?
P Ru C12 C13 87.6(2) . . . . ?
B Ru C12 C11 128.87(13) . . . . ?
C13 Ru C12 C11 -117.39(18) . . . . ?
C14 Ru C12 C11 -79.73(13) . . . . ?
C10 Ru C12 C11 -37.31(12) . . . . ?
P Ru C12 C11 -29.7(3) . . . . ?
B Ru C12 C17 8.3(3) . . . . ?
C13 Ru C12 C17 122.1(3) . . . . ?
C14 Ru C12 C17 159.7(3) . . . . ?
C11 Ru C12 C17 -120.5(3) . . . . ?
C10 Ru C12 C17 -157.8(3) . . . . ?
P Ru C12 C17 -150.27(18) . . . . ?
C11 C12 C13 C14 -1.7(2) . . . . ?
C17 C12 C13 C14 167.1(2) . . . . ?
Ru C12 C13 C14 -63.00(14) . . . . ?
C11 C12 C13 C18 -174.9(2) . . . . ?
C17 C12 C13 C18 -6.1(4) . . . . ?
Ru C12 C13 C18 123.8(2) . . . . ?
C11 C12 C13 Ru 61.30(14) . . . . ?
C17 C12 C13 Ru -129.9(2) . . . . ?
B Ru C13 C12 76.17(14) . . . . ?
C14 Ru C13 C12 -117.35(18) . . . . ?
C11 Ru C13 C12 -37.48(12) . . . . ?
C10 Ru C13 C12 -79.43(13) . . . . ?
P Ru C13 C12 -151.16(10) . . . . ?
B Ru C13 C14 -166.48(13) . . . . ?
C11 Ru C13 C14 79.87(13) . . . . ?
C12 Ru C13 C14 117.35(18) . . . . ?
C10 Ru C13 C14 37.92(12) . . . . ?
P Ru C13 C14 -33.81(16) . . . . ?
B Ru C13 C18 -46.2(2) . . . . ?
C14 Ru C13 C18 120.3(3) . . . . ?
C11 Ru C13 C18 -159.8(2) . . . . ?
C12 Ru C13 C18 -122.3(3) . . . . ?
C10 Ru C13 C18 158.2(2) . . . . ?
P Ru C13 C18 86.5(2) . . . . ?
C12 C13 C14 C10 0.1(2) . . . . ?
C18 C13 C14 C10 173.4(2) . . . . ?
Ru C13 C14 C10 -63.68(14) . . . . ?
C12 C13 C14 C19 -165.6(2) . . . . ?
C18 C13 C14 C19 7.6(4) . . . . ?
Ru C13 C14 C19 130.6(2) . . . . ?
C12 C13 C14 Ru 63.77(14) . . . . ?
C18 C13 C14 Ru -122.9(2) . . . . ?
C11 C10 C14 C13 1.6(2) . . . . ?
C15 C10 C14 C13 -163.4(2) . . . . ?
Ru C10 C14 C13 62.46(14) . . . . ?
C11 C10 C14 C19 166.9(2) . . . . ?
C15 C10 C14 C19 1.9(3) . . . . ?
Ru C10 C14 C19 -132.3(2) . . . . ?
C11 C10 C14 Ru -60.88(14) . . . . ?
C15 C10 C14 Ru 134.1(2) . . . . ?
B Ru C14 C13 23.8(2) . . . . ?
C11 Ru C14 C13 -79.69(13) . . . . ?
C12 Ru C14 C13 -37.32(12) . . . . ?
C10 Ru C14 C13 -116.32(17) . . . . ?
P Ru C14 C13 157.45(11) . . . . ?
B Ru C14 C10 140.09(16) . . . . ?
C13 Ru C14 C10 116.32(17) . . . . ?
C11 Ru C14 C10 36.63(12) . . . . ?
C12 Ru C14 C10 79.00(13) . . . . ?
P Ru C14 C10 -86.23(11) . . . . ?
B Ru C14 C19 -95.5(3) . . . . ?
C13 Ru C14 C19 -119.3(3) . . . . ?
C11 Ru C14 C19 161.0(3) . . . . ?
C12 Ru C14 C19 -156.6(3) . . . . ?
C10 Ru C14 C19 124.4(3) . . . . ?
P Ru C14 C19 38.1(2) . . . . ?
C24 P C21 C22 48.51(19) . . . . ?
C27 P C21 C22 153.50(17) . . . . ?
Ru P C21 C22 -83.18(17) . . . . ?
C24 P C21 C23 -79.7(2) . . . . ?
C27 P C21 C23 25.3(2) . . . . ?
Ru P C21 C23 148.59(17) . . . . ?
C27 P C24 C25 174.17(18) . . . . ?
C21 P C24 C25 -78.81(19) . . . . ?
Ru P C24 C25 50.6(2) . . . . ?
C27 P C24 C26 -54.2(2) . . . . ?
C21 P C24 C26 52.8(2) . . . . ?
Ru P C24 C26 -177.81(16) . . . . ?
C24 P C27 C28 179.19(18) . . . . ?
C21 P C27 C28 69.7(2) . . . . ?
Ru P C27 C28 -54.0(2) . . . . ?
C24 P C27 C29 -56.70(19) . . . . ?
C21 P C27 C29 -166.17(17) . . . . ?
Ru P C27 C29 70.10(18) . . . . ?
C36 C31 C32 C33 2.5(3) . . . . ?
B C31 C32 C33 179.1(2) . . . . ?
C36 C31 C32 C37 -174.3(2) . . . . ?
B C31 C32 C37 2.3(3) . . . . ?
C31 C32 C33 C34 -1.8(4) . . . . ?
C37 C32 C33 C34 175.1(2) . . . . ?
C32 C33 C34 C35 0.2(4) . . . . ?
C32 C33 C34 C38 -178.2(3) . . . . ?
C33 C34 C35 C36 0.6(4) . . . . ?
C38 C34 C35 C36 178.9(2) . . . . ?
C34 C35 C36 C31 0.2(4) . . . . ?
C34 C35 C36 C39 179.9(2) . . . . ?
C32 C31 C36 C35 -1.8(3) . . . . ?
B C31 C36 C35 -178.5(2) . . . . ?
C32 C31 C36 C39 178.6(2) . . . . ?
B C31 C36 C39 1.9(3) . . . . ?
C32 C31 B Cl -86.1(2) . . . . ?
C36 C31 B Cl 90.4(2) . . . . ?
C32 C31 B Ru 92.9(2) . . . . ?
C36 C31 B Ru -90.6(2) . . . . ?
C13 Ru B C31 -32.6(2) . . . . ?
C14 Ru B C31 -47.9(3) . . . . ?
C11 Ru B C31 37.1(2) . . . . ?
C12 Ru B C31 4.0(2) . . . . ?
C10 Ru B C31 36.7(3) . . . . ?
P Ru B C31 177.19(17) . . . . ?
C13 Ru B Cl 146.16(15) . . . . ?
C14 Ru B Cl 130.82(16) . . . . ?
C11 Ru B Cl -144.16(15) . . . . ?
C12 Ru B Cl -177.27(16) . . . . ?
C10 Ru B Cl -144.62(17) . . . . ?
P Ru B Cl -4.09(17) . . . . ?
