#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/87/4108748.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_4108748
loop_
_publ_author_name
'Dongmei Liu'
'Li Dang'
'Yi Sun'
'Hoi-Shan Chan'
'Zhenyang Lin'
'Zuowei Xie'
_publ_section_title
;
 Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in
 Metal-Carboranyl Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16103
_journal_page_last               16110
_journal_paper_doi               10.1021/ja8067098
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C31.5 H59 B10 P Ru'
_chemical_formula_weight         677.93
_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                97.5730(10)
_cell_angle_beta                 98.1870(10)
_cell_angle_gamma                110.5440(10)
_cell_formula_units_Z            2
_cell_length_a                   9.9134(6)
_cell_length_b                   12.5819(7)
_cell_length_c                   15.4598(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1752.55(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0184
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9345
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    0.515
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7827
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.285
_exptl_crystal_description       block
_exptl_crystal_F_000             714
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.759
_refine_diff_density_min         -0.262
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     414
_refine_ls_number_reflns         6113
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0291
_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)+(0.0502P)²+0.8475P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0802
_refine_ls_wR_factor_ref         0.0820
_reflns_number_gt                5739
_reflns_number_total             6113
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja8067098_si_002_1.cif
_cod_data_source_block           2
_cod_original_formula_sum        'C31.50 H59 B10 P Ru'
_cod_database_code               4108748
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
Ru1 Ru 0.334923(18) 0.339239(14) 0.224863(10) 0.02841(8) Uani 1 1 d .
P1 P 0.28932(6) 0.19755(5) 0.30833(3) 0.02749(12) Uani 1 1 d .
C1 C 0.2533(2) 0.56178(19) 0.18429(14) 0.0321(5) Uani 1 1 d .
C2 C 0.3262(3) 0.6024(2) 0.29072(16) 0.0430(6) Uani 1 1 d .
H2 H 0.4457 0.6284 0.3127 0.052 Uiso 1 1 calc R
C11 C 0.3550(3) 0.5539(2) 0.11720(15) 0.0383(5) Uani 1 1 d .
C12 C 0.2747(4) 0.5362(3) 0.02104(18) 0.0638(9) Uani 1 1 d .
H12A H 0.1862 0.4681 0.0084 0.096 Uiso 1 1 calc R
H12B H 0.3372 0.5271 -0.0190 0.096 Uiso 1 1 calc R
H12C H 0.2504 0.6023 0.0135 0.096 Uiso 1 1 calc R
C13 C 0.4941(4) 0.6647(3) 0.1338(2) 0.0635(8) Uani 1 1 d .
H13A H 0.5476 0.6786 0.1937 0.095 Uiso 1 1 calc R
H13B H 0.4665 0.7291 0.1254 0.095 Uiso 1 1 calc R
H13C H 0.5550 0.6554 0.0926 0.095 Uiso 1 1 calc R
C14 C 0.4013(3) 0.4519(2) 0.12694(14) 0.0334(5) Uani 1 1 d .
C15 C 0.3267(3) 0.3354(2) 0.07835(15) 0.0401(5) Uani 1 1 d .
H15A H 0.2372 0.3075 0.0319 0.048 Uiso 1 1 calc R
C16 C 0.4086(3) 0.2690(2) 0.10505(18) 0.0482(6) Uani 1 1 d .
H16A H 0.3852 0.1872 0.0808 0.058 Uiso 1 1 calc R
C17 C 0.5350(3) 0.3435(3) 0.16887(19) 0.0482(6) Uani 1 1 d .
H17A H 0.6144 0.3219 0.1965 0.058 Uiso 1 1 calc R
C18 C 0.5323(3) 0.4554(2) 0.18150(16) 0.0407(5) Uani 1 1 d .
H18A H 0.6100 0.5250 0.2189 0.049 Uiso 1 1 calc R
C19 C 0.2401(2) 0.23425(19) 0.41729(14) 0.0316(5) Uani 1 1 d .
H19A H 0.1581 0.2594 0.4027 0.038 Uiso 1 1 calc R
C20 C 0.3582(3) 0.3367(2) 0.48433(15) 0.0370(5) Uani 1 1 d .
H20A H 0.4386 0.3144 0.5073 0.044 Uiso 1 1 calc R
H20B H 0.3971 0.4008 0.4545 0.044 Uiso 1 1 calc R
C21 C 0.2946(3) 0.3752(2) 0.56150(16) 0.0440(6) Uani 1 1 d .
H21A H 0.3718 0.4389 0.6036 0.053 Uiso 1 1 calc R
H21B H 0.2192 0.4027 0.5389 0.053 Uiso 1 1 calc R
C22 C 0.2289(3) 0.2770(2) 0.60890(16) 0.0452(6) Uani 1 1 d .
H22A H 0.1817 0.3021 0.6539 0.054 Uiso 1 1 calc R
H22B H 0.3067 0.2566 0.6386 0.054 Uiso 1 1 calc R
C23 C 0.1172(3) 0.1717(3) 0.54364(18) 0.0552(7) Uani 1 1 d .
H23A H 0.0328 0.1890 0.5203 0.066 Uiso 1 1 calc R
H23B H 0.0835 0.1080 0.5746 0.066 Uiso 1 1 calc R
C24 C 0.1818(3) 0.1354(2) 0.46682(17) 0.0514(7) Uani 1 1 d .
H24A H 0.1068 0.0693 0.4257 0.062 Uiso 1 1 calc R
H24B H 0.2613 0.1121 0.4896 0.062 Uiso 1 1 calc R
C25 C 0.4457(2) 0.1472(2) 0.32569(15) 0.0342(5) Uani 1 1 d .
H25A H 0.4649 0.1301 0.2660 0.041 Uiso 1 1 calc R
C26 C 0.4208(3) 0.0351(2) 0.3619(2) 0.0493(6) Uani 1 1 d .
H26A H 0.4072 0.0474 0.4228 0.059 Uiso 1 1 calc R
H26B H 0.3322 -0.0259 0.3264 0.059 Uiso 1 1 calc R
C27 C 0.5516(3) -0.0021(2) 0.3594(2) 0.0527(7) Uani 1 1 d .
H27A H 0.5351 -0.0707 0.3851 0.063 Uiso 1 1 calc R
H27B H 0.5588 -0.0219 0.2978 0.063 Uiso 1 1 calc R
C28 C 0.6947(3) 0.0922(3) 0.40980(19) 0.0502(6) Uani 1 1 d .
H28A H 0.6927 0.1052 0.4728 0.060 Uiso 1 1 calc R
H28B H 0.7756 0.0676 0.4027 0.060 Uiso 1 1 calc R
C29 C 0.7199(3) 0.2040(3) 0.3765(2) 0.0532(7) Uani 1 1 d .
H29A H 0.7350 0.1937 0.3158 0.064 Uiso 1 1 calc R
H29B H 0.8081 0.2643 0.4131 0.064 Uiso 1 1 calc R
C30 C 0.5891(3) 0.2415(2) 0.37908(18) 0.0429(6) Uani 1 1 d .
H30A H 0.5800 0.2591 0.4405 0.051 Uiso 1 1 calc R
H30B H 0.6068 0.3114 0.3549 0.051 Uiso 1 1 calc R
C31 C 0.1300(2) 0.06118(18) 0.25395(14) 0.0318(5) Uani 1 1 d .
H31A H 0.1320 0.0021 0.2890 0.038 Uiso 1 1 calc R
C32 C -0.0189(3) 0.0729(2) 0.25090(17) 0.0416(5) Uani 1 1 d .
H32A H -0.0252 0.1297 0.2154 0.050 Uiso 1 1 calc R
H32B H -0.0279 0.0997 0.3108 0.050 Uiso 1 1 calc R
C33 C -0.1449(3) -0.0439(2) 0.21041(19) 0.0512(7) Uani 1 1 d .
H33A H -0.1411 -0.0998 0.2473 0.061 Uiso 1 1 calc R
H33B H -0.2385 -0.0350 0.2089 0.061 Uiso 1 1 calc R
C34 C -0.1332(3) -0.0879(3) 0.11655(19) 0.0560(7) Uani 1 1 d .
H34A H -0.2108 -0.1633 0.0932 0.067 Uiso 1 1 calc R
H34B H -0.1464 -0.0355 0.0784 0.067 Uiso 1 1 calc R
C35 C 0.0149(3) -0.0972(2) 0.11549(19) 0.0525(7) Uani 1 1 d .
H35A H 0.0223 -0.1192 0.0544 0.063 Uiso 1 1 calc R
H35B H 0.0222 -0.1573 0.1470 0.063 Uiso 1 1 calc R
C36 C 0.1421(3) 0.0172(2) 0.15907(16) 0.0420(6) Uani 1 1 d .
H36A H 0.1421 0.0749 0.1232 0.050 Uiso 1 1 calc R
H36B H 0.2345 0.0063 0.1611 0.050 Uiso 1 1 calc R
C37 C 0.4242(12) 0.9441(8) -0.0136(7) 0.088(3) Uani 0.50 1 d P
C38 C 0.5017(8) 1.0105(6) -0.0752(3) 0.0918(15) Uani 1 1 d .
C39 C 0.6265(17) 1.1008(12) -0.0468(10) 0.108(4) Uani 0.50 1 d P
C40 C 0.7026(8) 1.1485(6) 0.0434(6) 0.128(2) Uani 1 1 d .
C41 C 0.6184(17) 1.0770(13) 0.1012(7) 0.108(4) Uani 0.50 1 d P
B3 B 0.2249(3) 0.4484(2) 0.25365(18) 0.0343(5) Uani 1 1 d .
B4 B 0.0851(3) 0.4608(3) 0.1700(2) 0.0420(6) Uani 1 1 d .
H4 H 0.0379 0.3911 0.1105 0.050 Uiso 1 1 calc R
B5 B 0.1063(4) 0.6033(3) 0.1596(2) 0.0535(8) Uani 1 1 d .
H5 H 0.0726 0.6260 0.0959 0.064 Uiso 1 1 calc R
B6 B 0.2659(4) 0.6956(3) 0.2382(2) 0.0500(7) Uani 1 1 d .
H6 H 0.3376 0.7790 0.2260 0.060 Uiso 1 1 calc R
B7 B 0.2104(5) 0.5303(3) 0.3532(2) 0.0567(9) Uani 1 1 d .
H7 H 0.2462 0.5089 0.4170 0.068 Uiso 1 1 calc R
B8 B 0.0494(4) 0.4378(3) 0.2744(3) 0.0623(10) Uani 1 1 d .
H8 H -0.0248 0.3544 0.2851 0.075 Uiso 1 1 calc R
B9 B -0.0219(4) 0.5273(4) 0.2182(3) 0.0769(13) Uani 1 1 d .
H9 H -0.1406 0.5009 0.1928 0.092 Uiso 1 1 calc R
B10 B 0.0930(6) 0.6747(4) 0.2632(3) 0.0780(13) Uani 1 1 d .
H10 H 0.0499 0.7443 0.2678 0.094 Uiso 1 1 calc R
B11 B 0.2382(6) 0.6759(3) 0.3458(2) 0.0709(12) Uani 1 1 d .
H11 H 0.2923 0.7469 0.4041 0.085 Uiso 1 1 calc R
B12 B 0.0585(6) 0.5729(4) 0.3346(3) 0.0878(16) Uani 1 1 d .
H12 H -0.0073 0.5767 0.3857 0.105 Uiso 1 1 calc R
H1A H 0.376(3) 0.404(3) 0.315(2) 0.066(9) Uiso 1 1 d .
H1B H 0.179(4) 0.286(3) 0.216(2) 0.068(9) 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'
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
H1B Ru1 H1A 100.5(18) . .
H1B Ru1 B3 63.2(13) . .
H1A Ru1 B3 64.3(13) . .
H1B Ru1 C14 113.3(13) . .
H1A Ru1 C14 112.6(13) . .
B3 Ru1 C14 81.31(9) . .
H1B Ru1 C18 150.5(13) . .
H1A Ru1 C18 94.8(13) . .
B3 Ru1 C18 102.39(10) . .
C14 Ru1 C18 37.28(9) . .
H1B Ru1 C15 94.8(13) . .
H1A Ru1 C15 149.9(13) . .
B3 Ru1 C15 101.11(10) . .
C14 Ru1 C15 37.37(8) . .
C18 Ru1 C15 61.35(9) . .
H1B Ru1 C17 147.0(13) . .
H1A Ru1 C17 111.5(13) . .
B3 Ru1 C17 138.58(10) . .
C14 Ru1 C17 61.80(9) . .
C18 Ru1 C17 36.39(10) . .
C15 Ru1 C17 60.90(10) . .
H1B Ru1 C16 110.9(13) . .
H1A Ru1 C16 147.7(13) . .
B3 Ru1 C16 137.51(10) . .
C14 Ru1 C16 61.91(9) . .
C18 Ru1 C16 60.94(10) . .
C15 Ru1 C16 36.46(10) . .
C17 Ru1 C16 36.39(11) . .
H1B Ru1 P1 72.4(13) . .
H1A Ru1 P1 76.7(13) . .
B3 Ru1 P1 111.54(7) . .
C14 Ru1 P1 166.91(6) . .
C18 Ru1 P1 136.12(7) . .
C15 Ru1 P1 132.98(6) . .
C17 Ru1 P1 106.73(7) . .
C16 Ru1 P1 105.23(7) . .
C19 P1 C31 101.99(10) . .
C19 P1 C25 109.88(10) . .
C31 P1 C25 102.72(10) . .
C19 P1 Ru1 115.72(7) . .
C31 P1 Ru1 114.26(7) . .
C25 P1 Ru1 111.19(7) . .
C11 C1 C2 118.60(19) . .
C11 C1 B4 120.5(2) . .
C2 C1 B4 109.16(19) . .
C11 C1 B5 122.7(2) . .
C2 C1 B5 110.6(2) . .
B4 C1 B5 62.61(17) . .
C11 C1 B6 120.1(2) . .
C2 C1 B6 61.81(15) . .
B4 C1 B6 112.4(2) . .
B5 C1 B6 61.49(19) . .
C11 C1 B3 112.96(17) . .
C2 C1 B3 61.85(14) . .
B4 C1 B3 61.78(14) . .
B5 C1 B3 115.05(18) . .
B6 C1 B3 115.34(18) . .
C1 C2 B7 111.8(2) . .
C1 C2 B11 111.5(2) . .
B7 C2 B11 62.88(19) . .
C1 C2 B6 61.84(15) . .
B7 C2 B6 113.6(2) . .
B11 C2 B6 61.56(18) . .
C1 C2 B3 65.30(14) . .
B7 C2 B3 61.21(16) . .
B11 C2 B3 115.6(2) . .
B6 C2 B3 118.3(2) . .
C14 C11 C12 109.0(2) . .
C14 C11 C13 108.7(2) . .
C12 C11 C13 107.0(2) . .
C14 C11 C1 109.03(17) . .
C12 C11 C1 111.0(2) . .
C13 C11 C1 112.0(2) . .
C18 C14 C15 106.6(2) . .
C18 C14 C11 126.8(2) . .
C15 C14 C11 126.5(2) . .
C18 C14 Ru1 72.28(13) . .
C15 C14 Ru1 72.38(13) . .
C11 C14 Ru1 123.66(15) . .
C16 C15 C14 108.5(2) . .
C16 C15 Ru1 72.60(14) . .
C14 C15 Ru1 70.25(12) . .
C15 C16 C17 107.8(2) . .
C15 C16 Ru1 70.94(13) . .
C17 C16 Ru1 71.48(14) . .
C18 C17 C16 108.4(2) . .
C18 C17 Ru1 71.15(14) . .
C16 C17 Ru1 72.13(14) . .
C17 C18 C14 108.6(2) . .
C17 C18 Ru1 72.46(14) . .
C14 C18 Ru1 70.43(12) . .
C24 C19 C20 107.79(19) . .
C24 C19 P1 117.11(16) . .
C20 C19 P1 115.79(15) . .
C21 C20 C19 110.88(19) . .
C22 C21 C20 111.5(2) . .
C21 C22 C23 111.0(2) . .
C22 C23 C24 111.7(2) . .
C23 C24 C19 111.2(2) . .
C30 C25 C26 109.22(19) . .
C30 C25 P1 113.41(16) . .
C26 C25 P1 118.17(16) . .
C27 C26 C25 111.0(2) . .
C28 C27 C26 111.9(2) . .
C29 C28 C27 111.2(2) . .
C28 C29 C30 111.5(2) . .
C25 C30 C29 111.5(2) . .
C32 C31 C36 109.03(19) . .
C32 C31 P1 113.32(15) . .
C36 C31 P1 111.50(15) . .
C31 C32 C33 110.5(2) . .
C34 C33 C32 110.6(2) . .
C35 C34 C33 111.1(2) . .
C34 C35 C36 111.7(2) . .
C35 C36 C31 111.7(2) . .
C39 C37 C41 134.5(16) 2_675 2_675
C39 C37 C40 67.0(10) 2_675 2_675
C41 C37 C40 67.5(10) 2_675 2_675
C39 C37 C38 59.8(9) 2_675 2_675
C41 C37 C38 165.7(12) 2_675 2_675
C40 C37 C38 126.7(9) 2_675 2_675
C39 C37 C38 171.6(14) 2_675 .
C41 C37 C38 53.9(8) 2_675 .
C40 C37 C38 121.4(9) 2_675 .
C38 C37 C38 111.8(8) 2_675 .
C39 C37 C37 117.8(14) 2_675 2_675
C41 C37 C37 107.7(12) 2_675 2_675
C40 C37 C37 175.3(12) 2_675 2_675
C38 C37 C37 58.0(7) 2_675 2_675
C38 C37 C37 53.8(6) . 2_675
C41 C38 C39 178.9(8) 2_675 .
C41 C38 C37 125.2(8) 2_675 2_675
C39 C38 C37 53.7(7) . 2_675
C41 C38 C37 57.1(7) 2_675 .
C39 C38 C37 121.9(8) . .
C37 C38 C37 68.2(8) 2_675 .
C37 C39 C38 66.5(9) 2_675 .
C37 C39 C40 60.4(8) 2_675 .
C38 C39 C40 126.9(9) . .
C37 C40 C39 52.6(7) 2_675 .
C37 C40 C41 55.4(7) 2_675 .
C39 C40 C41 108.0(9) . .
C38 C41 C37 69.1(9) 2_675 2_675
C38 C41 C40 126.1(10) 2_675 .
C37 C41 C40 57.0(7) 2_675 .
B8 B3 B7 59.8(2) . .
B8 B3 C2 100.2(2) . .
B7 B3 C2 56.41(16) . .
B8 B3 B4 57.88(17) . .
B7 B3 B4 102.5(2) . .
C2 B3 B4 95.72(17) . .
B8 B3 C1 98.64(18) . .
B7 B3 C1 98.26(17) . .
C2 B3 C1 52.85(12) . .
B4 B3 C1 53.80(13) . .
B8 B3 Ru1 138.39(19) . .
B7 B3 Ru1 135.12(18) . .
C2 B3 Ru1 120.20(16) . .
B4 B3 Ru1 121.78(17) . .
C1 B3 Ru1 113.02(14) . .
C1 B4 B8 108.2(2) . .
C1 B4 B9 106.9(2) . .
B8 B4 B9 61.2(2) . .
C1 B4 B5 60.28(16) . .
B8 B4 B5 110.0(2) . .
B9 B4 B5 59.6(2) . .
C1 B4 B3 64.42(14) . .
B8 B4 B3 59.80(16) . .
B9 B4 B3 111.7(2) . .
B5 B4 B3 115.3(2) . .
C1 B5 B9 104.6(2) . .
C1 B5 B4 57.11(15) . .
B9 B5 B4 59.9(2) . .
C1 B5 B6 59.46(16) . .
B9 B5 B6 107.8(3) . .
B4 B5 B6 106.3(2) . .
C1 B5 B10 105.0(2) . .
B9 B5 B10 60.7(3) . .
B4 B5 B10 107.4(2) . .
B6 B5 B10 59.1(2) . .
C2 B6 C1 56.35(14) . .
C2 B6 B10 105.3(2) . .
C1 B6 B10 105.9(3) . .
C2 B6 B11 58.54(17) . .
C1 B6 B11 104.7(2) . .
B10 B6 B11 60.9(2) . .
C2 B6 B5 104.3(2) . .
C1 B6 B5 59.05(16) . .
B10 B6 B5 60.7(2) . .
B11 B6 B5 108.9(3) . .
C2 B7 B12 104.7(2) . .
C2 B7 B8 104.5(2) . .
B12 B7 B8 60.8(3) . .
C2 B7 B11 58.75(19) . .
B12 B7 B11 59.8(3) . .
B8 B7 B11 108.4(3) . .
C2 B7 B3 62.38(15) . .
B12 B7 B3 111.4(3) . .
B8 B7 B3 59.78(18) . .
B11 B7 B3 113.1(2) . .
B4 B8 B7 106.3(2) . .
B4 B8 B3 62.33(16) . .
B7 B8 B3 60.45(18) . .
B4 B8 B9 59.7(2) . .
B7 B8 B9 107.4(3) . .
B3 B8 B9 112.5(2) . .
B4 B8 B12 106.8(2) . .
B7 B8 B12 59.4(3) . .
B3 B8 B12 110.8(3) . .
B9 B8 B12 60.1(3) . .
B5 B9 B4 60.50(19) . .
B5 B9 B8 109.0(2) . .
B4 B9 B8 59.07(19) . .
B5 B9 B10 60.4(2) . .
B4 B9 B10 107.6(3) . .
B8 B9 B10 108.6(3) . .
B5 B9 B12 108.2(3) . .
B4 B9 B12 106.5(3) . .
B8 B9 B12 60.3(2) . .
B10 B9 B12 59.6(3) . .
B6 B10 B12 107.6(3) . .
B6 B10 B5 60.2(2) . .
B12 B10 B5 107.5(3) . .
B6 B10 B11 59.9(2) . .
B12 B10 B11 59.6(3) . .
B5 B10 B11 107.7(2) . .
B6 B10 B9 107.1(3) . .
B12 B10 B9 60.4(3) . .
B5 B10 B9 58.9(2) . .
B11 B10 B9 107.5(3) . .
C2 B11 B6 59.90(17) . .
C2 B11 B12 104.4(3) . .
B6 B11 B12 107.5(3) . .
C2 B11 B7 58.37(17) . .
B6 B11 B7 108.5(2) . .
B12 B11 B7 59.8(2) . .
C2 B11 B10 105.1(2) . .
B6 B11 B10 59.2(2) . .
B12 B11 B10 60.1(3) . .
B7 B11 B10 108.1(3) . .
B11 B12 B7 60.4(2) . .
B11 B12 B10 60.3(3) . .
B7 B12 B10 108.7(3) . .
B11 B12 B9 107.6(3) . .
B7 B12 B9 107.4(3) . .
B10 B12 B9 59.9(3) . .
B11 B12 B8 108.1(3) . .
B7 B12 B8 59.9(2) . .
B10 B12 B8 108.2(3) . .
B9 B12 B8 59.6(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 H1B 1.43(3) .
Ru1 H1A 1.45(3) .
Ru1 B3 2.074(3) .
Ru1 C14 2.220(2) .
Ru1 C18 2.245(2) .
Ru1 C15 2.248(2) .
Ru1 C17 2.261(2) .
Ru1 C16 2.270(2) .
Ru1 P1 2.2922(6) .
P1 C19 1.864(2) .
P1 C31 1.867(2) .
P1 C25 1.869(2) .
C1 C11 1.563(3) .
C1 C2 1.635(3) .
C1 B4 1.667(3) .
C1 B5 1.724(4) .
C1 B6 1.731(4) .
C1 B3 1.863(3) .
C2 B7 1.700(4) .
C2 B11 1.706(4) .
C2 B6 1.731(4) .
C2 B3 1.808(4) .
C11 C14 1.524(3) .
C11 C12 1.531(4) .
C11 C13 1.538(4) .
C14 C18 1.427(3) .
C14 C15 1.432(3) .
C15 C16 1.414(4) .
C16 C17 1.415(4) .
C17 C18 1.407(4) .
C19 C24 1.530(3) .
C19 C20 1.533(3) .
C20 C21 1.527(3) .
C21 C22 1.516(4) .
C22 C23 1.517(4) .
C23 C24 1.519(4) .
C25 C30 1.528(3) .
C25 C26 1.538(3) .
C26 C27 1.529(4) .
C27 C28 1.513(4) .
C28 C29 1.512(4) .
C29 C30 1.531(4) .
C31 C32 1.528(3) .
C31 C36 1.535(3) .
C32 C33 1.536(3) .
C33 C34 1.519(4) .
C34 C35 1.515(4) .
C35 C36 1.531(3) .
C37 C39 1.231(13) 2_675
C37 C41 1.322(15) 2_675
C37 C40 1.347(11) 2_675
C37 C38 1.401(12) 2_675
C37 C38 1.471(11) .
C37 C37 1.61(2) 2_675
C38 C41 1.272(14) 2_675
C38 C39 1.319(15) .
C38 C37 1.401(12) 2_675
C39 C37 1.231(13) 2_675
C39 C40 1.426(16) .
C40 C37 1.347(11) 2_675
C40 C41 1.484(15) .
C41 C38 1.272(14) 2_675
C41 C37 1.322(15) 2_675
B3 B8 1.776(4) .
B3 B7 1.788(4) .
B3 B4 1.820(4) .
B4 B8 1.740(5) .
B4 B9 1.751(5) .
B4 B5 1.762(4) .
B5 B9 1.747(5) .
B5 B6 1.766(5) .
B5 B10 1.775(6) .
B6 B10 1.747(5) .
B6 B11 1.759(5) .
B7 B12 1.767(5) .
B7 B8 1.776(6) .
B7 B11 1.777(5) .
B8 B9 1.779(5) .
B8 B12 1.792(6) .
B9 B10 1.780(7) .
B9 B12 1.789(8) .
B10 B12 1.775(5) .
B10 B11 1.777(7) .
B11 B12 1.766(7) .
