#------------------------------------------------------------------------------
#$Date: 2020-12-05 23:11:54 +0200 (Sat, 05 Dec 2020) $
#$Revision: 259567 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/16/7241652.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_7241652
loop_
_publ_author_name
'Mochida, Tomoyuki'
'Sumitani, Ryo'
'Yamazoe, Tomoaki'
_publ_section_title
;
 Thermal properties, crystal structures, and phase diagrams of ionic
 plastic crystals and ionic liquids containing a chiral cationic sandwich
 complex.
;
_journal_issue                   44
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              25803
_journal_page_last               25810
_journal_paper_doi               10.1039/d0cp04870d
_journal_volume                  22
_journal_year                    2020
_chemical_formula_sum            'C15 H29 B11 O Ru'
_chemical_formula_weight         445.36
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_update_record
;
2020-08-13 deposited with the CCDC.	2020-10-28 downloaded from the CCDC.
;
_cell_angle_alpha                99.0460(10)
_cell_angle_beta                 95.8930(10)
_cell_angle_gamma                96.4770(10)
_cell_formula_units_Z            2
_cell_length_a                   8.7042(10)
_cell_length_b                   10.1448(12)
_cell_length_c                   12.0722(14)
_cell_measurement_reflns_used    5875
_cell_measurement_temperature    90.(2)
_cell_measurement_theta_max      28.8593
_cell_measurement_theta_min      2.3728
_cell_volume                     1038.1(2)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 833)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      90.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0157
_diffrn_reflns_av_unetI/netI     0.0225
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            5300
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.05
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Bruker Turbo X-ray Source'
_exptl_absorpt_coefficient_mu    0.758
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             452
_exptl_crystal_size_max          0.304
_exptl_crystal_size_mid          0.277
_exptl_crystal_size_min          0.255
_refine_diff_density_max         0.330
_refine_diff_density_min         -0.557
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         3865
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0203
_refine_ls_R_factor_gt           0.0201
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0268P)²+0.6734P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0532
_refine_ls_wR_factor_ref         0.0533
_reflns_number_gt                3824
_reflns_number_total             3865
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cp04870d2.cif
_cod_data_source_block           racRucarb90K
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_database_code               7241652
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru1 0.57732(2) 0.76116(2) 0.23581(2) 0.01167(6) Uani d . . . 1 . .
O O1 0.40699(14) 0.78687(12) 0.48524(10) 0.0182(2) Uani d . . . 1 . .
C C1 0.6591(2) 0.63253(18) 0.35285(16) 0.0202(4) Uani d . . . 1 . .
H H1 0.606751 0.613293 0.414889 0.024 Uiso calc U . R 1 . .
C C2 0.6328(2) 0.55685(17) 0.24159(16) 0.0200(4) Uani d . . . 1 . .
H H2 0.560019 0.478078 0.216273 0.024 Uiso calc U . R 1 . .
C C3 0.7344(2) 0.61967(18) 0.17488(15) 0.0193(4) Uani d . . . 1 . .
H H3 0.741635 0.590138 0.097137 0.023 Uiso calc U . R 1 . .
C C4 0.8234(2) 0.73449(18) 0.24480(15) 0.0187(3) Uani d . . . 1 . .
H H4 0.900161 0.795479 0.222016 0.022 Uiso calc U . R 1 . .
C C5 0.7769(2) 0.74168(18) 0.35517(15) 0.0195(4) Uani d . . . 1 . .
H H5 0.817836 0.808065 0.419136 0.023 Uiso calc U . R 1 . .
C C6 0.36331(18) 0.82850(16) 0.29754(14) 0.0139(3) Uani d . . . 1 . .
C C7 0.47809(19) 0.94217(16) 0.30932(14) 0.0155(3) Uani d . . . 1 . .
H H7 0.505091 0.999212 0.380643 0.019 Uiso calc U . R 1 . .
C C8 0.5526(2) 0.97130(17) 0.21584(16) 0.0189(4) Uani d . . . 1 . .
H H8 0.629821 1.047519 0.224747 0.023 Uiso calc U . R 1 . .
C C9 0.5129(2) 0.88734(18) 0.10860(15) 0.0197(4) Uani d . . . 1 . .
H H9 0.563996 0.906528 0.045998 0.024 Uiso calc U . R 1 . .
C C10 0.3968(2) 0.77503(18) 0.09574(14) 0.0180(3) Uani d . . . 1 . .
H H10 0.368618 0.718971 0.024065 0.022 Uiso calc U . R 1 . .
C C11 0.32261(19) 0.74610(16) 0.18968(14) 0.0152(3) Uani d . . . 1 . .
H H11 0.244506 0.670521 0.180466 0.018 Uiso calc U . R 1 . .
C C12 0.28640(19) 0.79137(17) 0.39748(14) 0.0160(3) Uani d . . . 1 . .
H H12 0.224501 0.700087 0.374899 0.019 Uiso calc U . R 1 . .
C C13 0.1787(2) 0.89250(18) 0.43670(15) 0.0209(4) Uani d . . . 1 . .
H H13A 0.240444 0.979886 0.467394 0.031 Uiso calc U . R 1 . .
H H13B 0.121687 0.860813 0.495438 0.031 Uiso calc U . R 1 . .
H H13C 0.104553 0.901985 0.372549 0.031 Uiso calc U . R 1 . .
C C14 0.3573(2) 0.70806(18) 0.56579(15) 0.0220(4) Uani d . . . 1 . .
H H14A 0.278063 0.750392 0.605527 0.033 Uiso calc U . R 1 . .
H H14B 0.446606 0.702032 0.620392 0.033 Uiso calc U . R 1 . .
H H14C 0.313073 0.61747 0.52694 0.033 Uiso calc U . R 1 . .
C C15 0.98125(19) 0.15927(16) 0.11553(14) 0.0149(3) Uani d . . . 1 . .
H H12P 0.907(2) 0.092(2) 0.0648(17) 0.018(5) Uiso d . . . 1 . .
B B1 1.2410(2) 0.37664(18) 0.27943(16) 0.0145(3) Uani d . . . 1 . .
H H1P 1.330805 0.451949 0.33611 0.017 Uiso calc U . R 1 . .
B B2 1.2099(2) 0.37476(18) 0.13082(15) 0.0140(3) Uani d . . . 1 . .
H H2P 1.279334 0.448619 0.089397 0.017 Uiso calc U . R 1 . .
B B3 1.0648(2) 0.42418(18) 0.21750(16) 0.0153(4) Uani d . . . 1 . .
H H3P 1.038038 0.530478 0.233279 0.018 Uiso calc U . R 1 . .
B B4 1.0594(2) 0.32104(19) 0.32484(16) 0.0162(4) Uani d . . . 1 . .
H H4P 1.029105 0.359066 0.411033 0.019 Uiso calc U . R 1 . .
B B5 1.2018(2) 0.20814(19) 0.30378(16) 0.0158(4) Uani d . . . 1 . .
H H5P 1.265586 0.172096 0.376274 0.019 Uiso calc U . R 1 . .
B B6 1.2942(2) 0.24101(18) 0.18363(15) 0.0144(3) Uani d . . . 1 . .
H H6P 1.418748 0.226543 0.176759 0.017 Uiso calc U . R 1 . .
B B7 1.0098(2) 0.31855(18) 0.08400(16) 0.0156(4) Uani d . . . 1 . .
H H7P 0.945772 0.353632 0.011094 0.019 Uiso calc U . R 1 . .
B B8 0.9172(2) 0.28489(19) 0.20311(16) 0.0159(4) Uani d . . . 1 . .
H H8P 0.791785 0.297646 0.208052 0.019 Uiso calc U . R 1 . .
B B9 1.0014(2) 0.15178(19) 0.25684(16) 0.0164(4) Uani d . . . 1 . .
H H9P 0.931306 0.077266 0.297236 0.02 Uiso calc U . R 1 . .
B B10 1.1458(2) 0.10220(18) 0.17036(16) 0.0154(4) Uani d . . . 1 . .
H H10P 1.170619 -0.004633 0.154063 0.018 Uiso calc U . R 1 . .
B B11 1.1504(2) 0.20521(18) 0.06344(16) 0.0151(4) Uani d . . . 1 . .
H H11P 1.178087 0.165762 -0.023209 0.018 Uiso calc U . R 1 . .
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C4 Ru1 C5 . . 38.06(7) ?
C4 Ru1 C3 . . 37.97(7) ?
C5 Ru1 C3 . . 63.42(7) ?
C4 Ru1 C1 . . 63.50(7) ?
C5 Ru1 C1 . . 37.78(7) ?
C3 Ru1 C1 . . 63.36(7) ?
C4 Ru1 C2 . . 63.47(7) ?
C5 Ru1 C2 . . 63.29(7) ?
C3 Ru1 C2 . . 37.86(7) ?
C1 Ru1 C2 . . 37.87(7) ?
C4 Ru1 C11 . . 165.42(7) ?
C5 Ru1 C11 . . 150.19(7) ?
C3 Ru1 C11 . . 127.86(6) ?
C1 Ru1 C11 . . 117.00(7) ?
C2 Ru1 C11 . . 107.28(6) ?
C4 Ru1 C8 . . 109.03(7) ?
C5 Ru1 C8 . . 114.12(7) ?
C3 Ru1 C8 . . 133.42(7) ?
C1 Ru1 C8 . . 144.65(7) ?
C2 Ru1 C8 . . 171.24(7) ?
C11 Ru1 C8 . . 79.08(6) ?
C4 Ru1 C6 . . 156.67(7) ?
C5 Ru1 C6 . . 120.54(6) ?
C3 Ru1 C6 . . 157.62(7) ?
C1 Ru1 C6 . . 105.27(6) ?
C2 Ru1 C6 . . 121.36(6) ?
C11 Ru1 C6 . . 37.42(6) ?
C8 Ru1 C6 . . 67.36(6) ?
C4 Ru1 C7 . . 126.84(6) ?
C5 Ru1 C7 . . 106.58(6) ?
C3 Ru1 C7 . . 164.42(7) ?
C1 Ru1 C7 . . 116.95(7) ?
C2 Ru1 C7 . . 150.69(7) ?
C11 Ru1 C7 . . 66.94(6) ?
C8 Ru1 C7 . . 37.18(7) ?
C6 Ru1 C7 . . 37.30(6) ?
C4 Ru1 C9 . . 111.62(7) ?
C5 Ru1 C9 . . 139.42(7) ?
C3 Ru1 C9 . . 111.63(7) ?
C1 Ru1 C9 . . 174.71(6) ?
C2 Ru1 C9 . . 139.03(7) ?
C11 Ru1 C9 . . 67.12(6) ?
C8 Ru1 C9 . . 37.38(7) ?
C6 Ru1 C9 . . 80.02(6) ?
C7 Ru1 C9 . . 67.34(6) ?
C4 Ru1 C10 . . 133.80(6) ?
C5 Ru1 C10 . . 171.83(6) ?
C3 Ru1 C10 . . 109.60(6) ?
C1 Ru1 C10 . . 144.63(7) ?
C2 Ru1 C10 . . 114.30(7) ?
C11 Ru1 C10 . . 37.24(6) ?
C8 Ru1 C10 . . 66.98(7) ?
C6 Ru1 C10 . . 67.58(6) ?
C7 Ru1 C10 . . 79.27(6) ?
C9 Ru1 C10 . . 37.13(7) ?
C12 O1 C14 . . 112.90(13) ?
C5 C1 C2 . . 108.11(16) ?
C5 C1 Ru1 . . 71.10(10) ?
C2 C1 Ru1 . . 71.15(10) ?
C5 C1 H1 . . 125.9 ?
C2 C1 H1 . . 125.9 ?
Ru1 C1 H1 . . 123.4 ?
C3 C2 C1 . . 107.99(16) ?
C3 C2 Ru1 . . 70.98(10) ?
C1 C2 Ru1 . . 70.98(10) ?
C3 C2 H2 . . 126.0 ?
C1 C2 H2 . . 126.0 ?
Ru1 C2 H2 . . 123.7 ?
C2 C3 C4 . . 108.06(16) ?
C2 C3 Ru1 . . 71.16(10) ?
C4 C3 Ru1 . . 70.82(10) ?
C2 C3 H3 . . 126.0 ?
C4 C3 H3 . . 126.0 ?
Ru1 C3 H3 . . 123.7 ?
C3 C4 C5 . . 107.76(16) ?
C3 C4 Ru1 . . 71.20(10) ?
C5 C4 Ru1 . . 71.15(10) ?
C3 C4 H4 . . 126.1 ?
C5 C4 H4 . . 126.1 ?
Ru1 C4 H4 . . 123.2 ?
C1 C5 C4 . . 108.07(16) ?
C1 C5 Ru1 . . 71.12(10) ?
C4 C5 Ru1 . . 70.79(9) ?
C1 C5 H5 . . 126.0 ?
C4 C5 H5 . . 126.0 ?
Ru1 C5 H5 . . 123.8 ?
C7 C6 C11 . . 118.81(15) ?
C7 C6 C12 . . 121.63(15) ?
C11 C6 C12 . . 119.54(15) ?
C7 C6 Ru1 . . 71.39(9) ?
C11 C6 Ru1 . . 71.18(9) ?
C12 C6 Ru1 . . 127.81(11) ?
C8 C7 C6 . . 120.49(15) ?
C8 C7 Ru1 . . 71.37(9) ?
C6 C7 Ru1 . . 71.31(9) ?
C8 C7 H7 . . 119.8 ?
C6 C7 H7 . . 119.8 ?
Ru1 C7 H7 . . 130.1 ?
C7 C8 C9 . . 120.38(16) ?
C7 C8 Ru1 . . 71.46(9) ?
C9 C8 Ru1 . . 71.40(10) ?
C7 C8 H8 . . 119.8 ?
C9 C8 H8 . . 119.8 ?
Ru1 C8 H8 . . 129.8 ?
C10 C9 C8 . . 119.47(16) ?
C10 C9 Ru1 . . 71.54(10) ?
C8 C9 Ru1 . . 71.22(10) ?
C10 C9 H9 . . 120.3 ?
C8 C9 H9 . . 120.3 ?
Ru1 C9 H9 . . 129.3 ?
C9 C10 C11 . . 119.95(16) ?
C9 C10 Ru1 . . 71.33(10) ?
C11 C10 Ru1 . . 71.08(9) ?
C9 C10 H10 . . 120.0 ?
C11 C10 H10 . . 120.0 ?
Ru1 C10 H10 . . 130.1 ?
C10 C11 C6 . . 120.89(15) ?
C10 C11 Ru1 . . 71.68(10) ?
C6 C11 Ru1 . . 71.40(9) ?
C10 C11 H11 . . 119.6 ?
C6 C11 H11 . . 119.6 ?
Ru1 C11 H11 . . 129.9 ?
O1 C12 C6 . . 107.49(13) ?
O1 C12 C13 . . 110.91(14) ?
C6 C12 C13 . . 111.17(14) ?
O1 C12 H12 . . 109.1 ?
C6 C12 H12 . . 109.1 ?
C13 C12 H12 . . 109.1 ?
C12 C13 H13A . . 109.5 ?
C12 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C12 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
O1 C14 H14A . . 109.5 ?
O1 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
O1 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
B11 C15 B8 . . 114.83(13) ?
B11 C15 B9 . . 114.84(13) ?
B8 C15 B9 . . 62.93(11) ?
B11 C15 B10 . . 62.93(11) ?
B8 C15 B10 . . 114.94(13) ?
B9 C15 B10 . . 62.63(11) ?
B11 C15 B7 . . 62.76(10) ?
B8 C15 B7 . . 62.67(11) ?
B9 C15 B7 . . 114.84(13) ?
B10 C15 B7 . . 114.96(13) ?
B11 C15 H12P . . 115.3(12) ?
B8 C15 H12P . . 120.2(12) ?
B9 C15 H12P . . 118.7(12) ?
B10 C15 H12P . . 115.6(12) ?
B7 C15 H12P . . 118.2(12) ?
B5 B1 B2 . . 108.19(12) ?
B5 B1 B3 . . 108.36(13) ?
B2 B1 B3 . . 60.08(10) ?
B5 B1 B4 . . 60.26(10) ?
B2 B1 B4 . . 108.29(13) ?
B3 B1 B4 . . 60.16(10) ?
B5 B1 B6 . . 60.08(10) ?
B2 B1 B6 . . 59.96(10) ?
B3 B1 B6 . . 108.12(13) ?
B4 B1 B6 . . 108.31(12) ?
B5 B1 H1P . . 121.5 ?
B2 B1 H1P . . 121.6 ?
B3 B1 H1P . . 121.6 ?
B4 B1 H1P . . 121.5 ?
B6 B1 H1P . . 121.7 ?
B7 B2 B11 . . 60.16(10) ?
B7 B2 B1 . . 107.95(13) ?
B11 B2 B1 . . 107.87(13) ?
B7 B2 B6 . . 108.22(12) ?
B11 B2 B6 . . 59.89(10) ?
B1 B2 B6 . . 60.16(10) ?
B7 B2 B3 . . 59.85(10) ?
B11 B2 B3 . . 107.92(13) ?
B1 B2 B3 . . 60.03(10) ?
B6 B2 B3 . . 108.24(13) ?
B7 B2 H2P . . 121.7 ?
B11 B2 H2P . . 121.8 ?
B1 B2 H2P . . 121.7 ?
B6 B2 H2P . . 121.5 ?
B3 B2 H2P . . 121.7 ?
B8 B3 B7 . . 60.14(10) ?
B8 B3 B1 . . 107.74(13) ?
B7 B3 B1 . . 107.77(13) ?
B8 B3 B2 . . 107.75(13) ?
B7 B3 B2 . . 59.76(10) ?
B1 B3 B2 . . 59.90(10) ?
B8 B3 B4 . . 60.08(10) ?
B7 B3 B4 . . 108.29(13) ?
B1 B3 B4 . . 59.93(10) ?
B2 B3 B4 . . 107.96(13) ?
B8 B3 H3P . . 121.8 ?
B7 B3 H3P . . 121.7 ?
B1 B3 H3P . . 121.9 ?
B2 B3 H3P . . 121.9 ?
B4 B3 H3P . . 121.6 ?
B9 B4 B8 . . 60.16(10) ?
B9 B4 B1 . . 107.41(13) ?
B8 B4 B1 . . 107.28(13) ?
B9 B4 B3 . . 107.69(13) ?
B8 B4 B3 . . 59.49(10) ?
B1 B4 B3 . . 59.92(10) ?
B9 B4 B5 . . 59.81(10) ?
B8 B4 B5 . . 107.76(13) ?
B1 B4 B5 . . 59.73(10) ?
B3 B4 B5 . . 107.75(13) ?
B9 B4 H4P . . 121.9 ?
B8 B4 H4P . . 122.0 ?
B1 B4 H4P . . 122.2 ?
B3 B4 H4P . . 121.9 ?
B5 B4 H4P . . 121.9 ?
B9 B5 B10 . . 60.09(10) ?
B9 B5 B1 . . 107.53(13) ?
B10 B5 B1 . . 107.82(13) ?
B9 B5 B6 . . 107.73(13) ?
B10 B5 B6 . . 59.74(10) ?
B1 B5 B6 . . 60.17(10) ?
B9 B5 B4 . . 59.68(10) ?
B10 B5 B4 . . 107.98(13) ?
B1 B5 B4 . . 60.01(10) ?
B6 B5 B4 . . 108.18(13) ?
B9 B5 H5P . . 122.0 ?
B10 B5 H5P . . 121.8 ?
B1 B5 H5P . . 121.8 ?
B6 B5 H5P . . 121.7 ?
B4 B5 H5P . . 121.7 ?
B10 B6 B11 . . 60.29(10) ?
B10 B6 B2 . . 108.08(12) ?
B11 B6 B2 . . 59.86(10) ?
B10 B6 B5 . . 59.90(10) ?
B11 B6 B5 . . 108.03(13) ?
B2 B6 B5 . . 107.86(13) ?
B10 B6 B1 . . 107.62(13) ?
B11 B6 B1 . . 107.62(13) ?
B2 B6 B1 . . 59.88(10) ?
B5 B6 B1 . . 59.75(10) ?
B10 B6 H6P . . 121.7 ?
B11 B6 H6P . . 121.7 ?
B2 B6 H6P . . 121.8 ?
B5 B6 H6P . . 121.8 ?
B1 B6 H6P . . 122.1 ?
C15 B7 B2 . . 104.26(12) ?
C15 B7 B3 . . 104.29(13) ?
B2 B7 B3 . . 60.40(10) ?
C15 B7 B8 . . 58.43(10) ?
B2 B7 B8 . . 108.01(13) ?
B3 B7 B8 . . 59.83(10) ?
C15 B7 B11 . . 58.36(10) ?
B2 B7 B11 . . 60.00(10) ?
B3 B7 B11 . . 108.23(13) ?
B8 B7 B11 . . 107.70(13) ?
C15 B7 H7P . . 125.3 ?
B2 B7 H7P . . 122.3 ?
B3 B7 H7P . . 122.3 ?
B8 B7 H7P . . 121.6 ?
B11 B7 H7P . . 121.5 ?
C15 B8 B3 . . 104.81(13) ?
C15 B8 B7 . . 58.90(10) ?
B3 B8 B7 . . 60.03(10) ?
C15 B8 B4 . . 104.66(13) ?
B3 B8 B4 . . 60.43(10) ?
B7 B8 B4 . . 108.48(13) ?
C15 B8 B9 . . 58.68(10) ?
B3 B8 B9 . . 108.06(13) ?
B7 B8 B9 . . 108.25(13) ?
B4 B8 B9 . . 59.70(10) ?
C15 B8 H8P . . 124.8 ?
B3 B8 H8P . . 122.2 ?
B7 B8 H8P . . 121.2 ?
B4 B8 H8P . . 122.2 ?
B9 B8 H8P . . 121.5 ?
C15 B9 B4 . . 104.77(13) ?
C15 B9 B5 . . 104.66(13) ?
B4 B9 B5 . . 60.50(10) ?
C15 B9 B10 . . 58.76(10) ?
B4 B9 B10 . . 108.54(13) ?
B5 B9 B10 . . 59.97(10) ?
C15 B9 B8 . . 58.38(10) ?
B4 B9 B8 . . 60.15(10) ?
B5 B9 B8 . . 108.30(13) ?
B10 B9 B8 . . 107.99(13) ?
C15 B9 H9P . . 125.0 ?
B4 B9 H9P . . 122.0 ?
B5 B9 H9P . . 122.2 ?
B10 B9 H9P . . 121.3 ?
B8 B9 H9P . . 121.5 ?
C15 B10 B6 . . 104.35(12) ?
C15 B10 B5 . . 104.53(12) ?
B6 B10 B5 . . 60.36(10) ?
C15 B10 B9 . . 58.61(10) ?
B6 B10 B9 . . 108.12(13) ?
B5 B10 B9 . . 59.94(10) ?
C15 B10 B11 . . 58.29(10) ?
B6 B10 B11 . . 59.94(10) ?
B5 B10 B11 . . 108.12(13) ?
B9 B10 B11 . . 107.70(13) ?
C15 B10 H10P . . 125.1 ?
B6 B10 H10P . . 122.3 ?
B5 B10 H10P . . 122.2 ?
B9 B10 H10P . . 121.5 ?
B11 B10 H10P . . 121.6 ?
C15 B11 B2 . . 104.54(12) ?
C15 B11 B6 . . 104.60(13) ?
B2 B11 B6 . . 60.25(10) ?
C15 B11 B7 . . 58.88(10) ?
B2 B11 B7 . . 59.84(10) ?
B6 B11 B7 . . 108.26(13) ?
C15 B11 B10 . . 58.79(10) ?
B2 B11 B10 . . 107.99(13) ?
B6 B11 B10 . . 59.78(10) ?
B7 B11 B10 . . 108.36(13) ?
C15 B11 H11P . . 124.8 ?
B2 B11 H11P . . 122.4 ?
B6 B11 H11P . . 122.3 ?
B7 B11 H11P . . 121.2 ?
B10 B11 H11P . . 121.4 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 C4 . 2.1832(17) ?
Ru1 C5 . 2.1881(17) ?
Ru1 C3 . 2.1882(17) ?
Ru1 C1 . 2.1883(17) ?
Ru1 C2 . 2.1905(17) ?
Ru1 C11 . 2.2117(16) ?
Ru1 C8 . 2.2144(16) ?
Ru1 C6 . 2.2145(16) ?
Ru1 C7 . 2.2155(16) ?
Ru1 C9 . 2.2168(17) ?
Ru1 C10 . 2.2195(17) ?
O1 C12 . 1.423(2) ?
O1 C14 . 1.423(2) ?
C1 C5 . 1.417(3) ?
C1 C2 . 1.421(3) ?
C1 H1 . 0.95 ?
C2 C3 . 1.420(3) ?
C2 H2 . 0.95 ?
C3 C4 . 1.422(3) ?
C3 H3 . 0.95 ?
C4 C5 . 1.425(3) ?
C4 H4 . 0.95 ?
C5 H5 . 0.95 ?
C6 C7 . 1.417(2) ?
C6 C11 . 1.420(2) ?
C6 C12 . 1.516(2) ?
C7 C8 . 1.412(3) ?
C7 H7 . 0.95 ?
C8 C9 . 1.420(3) ?
C8 H8 . 0.95 ?
C9 C10 . 1.413(3) ?
C9 H9 . 0.95 ?
C10 C11 . 1.415(2) ?
C10 H10 . 0.95 ?
C11 H11 . 0.95 ?
C12 C13 . 1.520(2) ?
C12 H12 . 1.0 ?
C13 H13A . 0.98 ?
C13 H13B . 0.98 ?
C13 H13C . 0.98 ?
C14 H14A . 0.98 ?
C14 H14B . 0.98 ?
C14 H14C . 0.98 ?
C15 B11 . 1.705(2) ?
C15 B8 . 1.706(2) ?
C15 B9 . 1.711(2) ?
C15 B10 . 1.714(2) ?
C15 B7 . 1.715(2) ?
C15 H12P . 0.97(2) ?
B1 B5 . 1.781(3) ?
B1 B2 . 1.783(3) ?
B1 B3 . 1.786(3) ?
B1 B4 . 1.786(3) ?
B1 B6 . 1.788(3) ?
B1 H1P . 1.12 ?
B2 B7 . 1.775(3) ?
B2 B11 . 1.778(3) ?
B2 B6 . 1.785(3) ?
B2 B3 . 1.787(3) ?
B2 H2P . 1.12 ?
B3 B8 . 1.773(3) ?
B3 B7 . 1.777(3) ?
B3 B4 . 1.790(3) ?
B3 H3P . 1.12 ?
B4 B9 . 1.776(3) ?
B4 B8 . 1.784(3) ?
B4 B5 . 1.790(3) ?
B4 H4P . 1.12 ?
B5 B9 . 1.778(3) ?
B5 B10 . 1.778(3) ?
B5 B6 . 1.787(3) ?
B5 H5P . 1.12 ?
B6 B10 . 1.776(3) ?
B6 B11 . 1.778(3) ?
B6 H6P . 1.12 ?
B7 B8 . 1.779(3) ?
B7 B11 . 1.781(3) ?
B7 H7P . 1.12 ?
B8 B9 . 1.784(3) ?
B8 H8P . 1.12 ?
B9 B10 . 1.781(3) ?
B9 H9P . 1.12 ?
B10 B11 . 1.785(3) ?
B10 H10P . 1.12 ?
B11 H11P . 1.12 ?
