# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_5333
_database_code_depnum_ccdc_archive 'CCDC 1479545'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-06-07 downloaded from the CCDC.
;
_audit_creation_date             2016-04-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C9 H13 B9 O3 Ru'
_chemical_formula_sum            'C9 H13 B9 O3 Ru'
_chemical_formula_weight         367.55
_chemical_melting_point          ?
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   12.5891(13)
_cell_length_b                   8.9837(9)
_cell_length_c                   27.262(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.255(7)
_cell_angle_gamma                90
_cell_volume                     3013.0(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    5270
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      26.94
_cell_measurement_theta_min      2.81
_shelx_estimated_absorpt_T_max   0.940
_shelx_estimated_absorpt_T_min   0.732
_exptl_absorpt_coefficient_mu    1.038
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6726
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0665 before and 0.0545 after correction.
The Ratio of minimum to maximum transmission is 0.9015.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0546
_diffrn_reflns_av_unetI/netI     0.0362
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            31447
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.414
_diffrn_reflns_theta_min         2.808
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3883
_reflns_number_total             4522
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.508
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         4522
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0279
_refine_ls_restrained_S_all      1.038
_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)+(0.0247P)²+2.3437P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0579
_refine_ls_wR_factor_ref         0.0610
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
2. Others
 Sof(C31A)=Sof(O31A)=Sof(C32A)=Sof(O32A)=Sof(C33A)=Sof(O33A)=1-FVAR(1)
 Sof(C31)=Sof(O31)=Sof(C32)=Sof(O32)=Sof(C33)=Sof(O33)=FVAR(1)
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4A), C5(H5A), C6(H6A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.27482(15) 0.5428(2) 0.40361(7) 0.0134(3) Uani 1 1 d . . . . .
C2 C 0.40247(15) 0.53475(19) 0.40067(7) 0.0122(3) Uani 1 1 d . . . . .
C3 C 0.45637(16) 0.3881(2) 0.41359(7) 0.0157(4) Uani 1 1 d . . . . .
H3 H 0.5294 0.3752 0.4102 0.019 Uiso 1 1 calc R . . . .
Ru3 Ru 0.29204(2) 0.51392(2) 0.32113(2) 0.01293(5) Uani 1 1 d . . . . .
B4 B 0.20449(18) 0.6779(2) 0.36228(9) 0.0178(4) Uani 1 1 d . . . . .
H4 H 0.1192(18) 0.669(2) 0.3509(9) 0.021 Uiso 1 1 d R . . . .
C4 C 0.40414(17) 0.2731(2) 0.42995(7) 0.0179(4) Uani 1 1 d . . . . .
H4A H 0.4432 0.1836 0.4396 0.021 Uiso 1 1 calc R . . . .
B5 B 0.24537(19) 0.7095(2) 0.42869(9) 0.0169(4) Uani 1 1 d . . . . .
H5 H 0.1878(18) 0.709(2) 0.4494(8) 0.020 Uiso 1 1 d R . . . .
C5 C 0.29082(17) 0.2807(2) 0.43340(8) 0.0193(4) Uani 1 1 d . . . . .
H5A H 0.2589 0.1964 0.4457 0.023 Uiso 1 1 calc R . . . .
B6 B 0.37007(18) 0.6214(2) 0.45342(8) 0.0139(4) Uani 1 1 d . . . . .
H6 H 0.3850(18) 0.557(2) 0.4867(8) 0.017 Uiso 1 1 d R . . . .
C6 C 0.22891(16) 0.4027(2) 0.41990(7) 0.0177(4) Uani 1 1 d . . . . .
H6A H 0.1539 0.3992 0.4208 0.021 Uiso 1 1 calc R . . . .
B7 B 0.43323(18) 0.6633(2) 0.35696(8) 0.0151(4) Uani 1 1 d . . . . .
H7 H 0.5011(17) 0.642(2) 0.3411(8) 0.018 Uiso 1 1 d R . . . .
B8 B 0.30666(18) 0.7651(2) 0.33261(9) 0.0171(4) Uani 1 1 d . . . . .
H8 H 0.2907(18) 0.828(2) 0.2964(9) 0.021 Uiso 1 1 d R . . . .
B9 B 0.26752(19) 0.8495(2) 0.38550(9) 0.0187(4) Uani 1 1 d . . . . .
H9 H 0.2217(19) 0.951(2) 0.3817(9) 0.022 Uiso 1 1 d R . . . .
B10 B 0.36939(19) 0.8138(2) 0.44086(9) 0.0171(4) Uani 1 1 d . . . . .
H10 H 0.3891(18) 0.896(2) 0.4719(8) 0.020 Uiso 1 1 d R . . . .
B11 B 0.46951(18) 0.6957(2) 0.42359(9) 0.0154(4) Uani 1 1 d . . . . .
H11 H 0.5500(18) 0.682(2) 0.4427(8) 0.018 Uiso 1 1 d R . . . .
B12 B 0.40903(19) 0.8404(2) 0.38231(9) 0.0172(4) Uani 1 1 d . . . . .
H12 H 0.4521(18) 0.933(2) 0.3755(8) 0.021 Uiso 1 1 d R . . . .
C31 C 0.3856(3) 0.4674(4) 0.27765(14) 0.0158(7) Uani 0.4990(16) 1 d . . P A 1
C31A C 0.3209(3) 0.5565(4) 0.25668(14) 0.0147(7) Uani 0.5010(16) 1 d . . P A 2
O31 O 0.4437(2) 0.4428(3) 0.25191(11) 0.0231(7) Uani 0.4990(16) 1 d . . P A 1
O31A O 0.3383(2) 0.5930(3) 0.21894(11) 0.0200(6) Uani 0.5010(16) 1 d . . P A 2
C32 C 0.1754(3) 0.5758(4) 0.26660(15) 0.0166(8) Uani 0.4990(16) 1 d . . P A 1
C32A C 0.1489(3) 0.4305(4) 0.29147(14) 0.0159(8) Uani 0.5010(16) 1 d . . P A 2
O32 O 0.1081(2) 0.6176(3) 0.23451(11) 0.0230(7) Uani 0.4990(16) 1 d . . P A 1
O32A O 0.0618(2) 0.3968(3) 0.27418(12) 0.0229(7) Uani 0.5010(16) 1 d . . P A 2
C33 C 0.2309(3) 0.3172(4) 0.31675(14) 0.0165(8) Uani 0.4990(16) 1 d . . P A 1
C33A C 0.3607(3) 0.3100(4) 0.31159(14) 0.0161(8) Uani 0.5010(16) 1 d . . P A 2
O33 O 0.1970(3) 0.1999(3) 0.31277(11) 0.0244(7) Uani 0.4990(16) 1 d . . P A 1
O33A O 0.3986(2) 0.2000(3) 0.30434(12) 0.0237(7) Uani 0.5010(16) 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1 C2 1.627(3) . ?
C1 Ru3 2.3189(19) . ?
C1 B4 1.761(3) . ?
C1 B5 1.719(3) . ?
C1 B6 1.758(3) . ?
C1 C6 1.491(3) . ?
C2 C3 1.489(2) . ?
C2 Ru3 2.3216(19) . ?
C2 B6 1.758(3) . ?
C2 B7 1.761(3) . ?
C2 B11 1.723(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.350(3) . ?
Ru3 B4 2.273(2) . ?
Ru3 B7 2.276(2) . ?
Ru3 B8 2.280(2) . ?
Ru3 C31 1.887(4) . ?
Ru3 C31A 1.907(4) . ?
Ru3 C32 1.936(4) . ?
Ru3 C32A 1.961(4) . ?
Ru3 C33 1.921(4) . ?
Ru3 C33A 2.066(4) . ?
B4 H4 1.06(2) . ?
B4 B5 1.797(3) . ?
B4 B8 1.834(3) . ?
B4 B9 1.787(3) . ?
C4 H4A 0.9500 . ?
C4 C5 1.451(3) . ?
B5 H5 1.01(2) . ?
B5 B6 1.759(3) . ?
B5 B9 1.785(3) . ?
B5 B10 1.790(3) . ?
C5 H5A 0.9500 . ?
C5 C6 1.350(3) . ?
B6 H6 1.06(2) . ?
B6 B10 1.761(3) . ?
B6 B11 1.762(3) . ?
C6 H6A 0.9500 . ?
B7 H7 1.05(2) . ?
B7 B8 1.835(3) . ?
B7 B11 1.800(3) . ?
B7 B12 1.786(3) . ?
B8 H8 1.12(2) . ?
B8 B9 1.788(3) . ?
B8 B12 1.792(3) . ?
B9 H9 1.07(2) . ?
B9 B10 1.790(3) . ?
B9 B12 1.804(3) . ?
B10 H10 1.11(2) . ?
B10 B11 1.785(3) . ?
B10 B12 1.787(3) . ?
B11 H11 1.04(2) . ?
B11 B12 1.781(3) . ?
B12 H12 1.03(2) . ?
C31 O31 1.138(5) . ?
C31A O31A 1.145(5) . ?
O31 O31 1.442(6) 2_655 ?
C32 O32 1.144(5) . ?
C32A O32A 1.139(5) . ?
O32A O32A 1.813(6) 2 ?
C33 O33 1.134(5) . ?
C33A O33A 1.133(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
C2 C1 Ru3 69.56(9) . . ?
C2 C1 B4 111.51(14) . . ?
C2 C1 B5 110.91(14) . . ?
C2 C1 B6 62.43(11) . . ?
B4 C1 Ru3 66.08(10) . . ?
B5 C1 Ru3 123.75(12) . . ?
B5 C1 B4 62.15(13) . . ?
B5 C1 B6 60.79(12) . . ?
B6 C1 Ru3 127.24(12) . . ?
B6 C1 B4 112.66(14) . . ?
C6 C1 C2 115.23(15) . . ?
C6 C1 Ru3 108.43(12) . . ?
C6 C1 B4 126.72(16) . . ?
C6 C1 B5 119.13(16) . . ?
C6 C1 B6 110.68(15) . . ?
C1 C2 Ru3 69.38(9) . . ?
C1 C2 B6 62.42(12) . . ?
C1 C2 B7 111.44(14) . . ?
C1 C2 B11 110.95(14) . . ?
C3 C2 C1 115.64(15) . . ?
C3 C2 Ru3 107.59(12) . . ?
C3 C2 B6 111.80(15) . . ?
C3 C2 B7 125.85(15) . . ?
C3 C2 B11 119.52(15) . . ?
B6 C2 Ru3 127.08(12) . . ?
B6 C2 B7 112.68(14) . . ?
B7 C2 Ru3 66.10(9) . . ?
B11 C2 Ru3 123.81(12) . . ?
B11 C2 B6 60.82(12) . . ?
B11 C2 B7 62.21(12) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.71(17) . . ?
C4 C3 H3 119.1 . . ?
C1 Ru3 C2 41.06(6) . . ?
B4 Ru3 C1 45.09(7) . . ?
B4 Ru3 C2 75.15(7) . . ?
B4 Ru3 B7 79.77(8) . . ?
B4 Ru3 B8 47.51(8) . . ?
B7 Ru3 C1 75.11(7) . . ?
B7 Ru3 C2 45.02(7) . . ?
B7 Ru3 B8 47.50(8) . . ?
B8 Ru3 C1 77.15(7) . . ?
B8 Ru3 C2 77.13(7) . . ?
C31 Ru3 C1 146.44(13) . . ?
C31 Ru3 C2 105.95(13) . . ?
C31 Ru3 B4 152.40(13) . . ?
C31 Ru3 B7 82.26(13) . . ?
C31 Ru3 B8 105.21(12) . . ?
C31 Ru3 C32 93.09(16) . . ?
C31 Ru3 C33 93.02(16) . . ?
C31A Ru3 C1 161.14(12) . . ?
C31A Ru3 C2 130.60(12) . . ?
C31A Ru3 B4 122.15(12) . . ?
C31A Ru3 B7 89.59(13) . . ?
C31A Ru3 B8 84.40(12) . . ?
C31A Ru3 C32A 92.02(16) . . ?
C31A Ru3 C33A 83.98(15) . . ?
C32 Ru3 C1 120.05(12) . . ?
C32 Ru3 C2 154.19(12) . . ?
C32 Ru3 B4 79.91(13) . . ?
C32 Ru3 B7 123.80(12) . . ?
C32 Ru3 B8 81.21(12) . . ?
C32A Ru3 C1 100.11(12) . . ?
C32A Ru3 C2 137.02(12) . . ?
C32A Ru3 B4 87.22(12) . . ?
C32A Ru3 B7 165.53(12) . . ?
C32A Ru3 B8 118.37(12) . . ?
C32A Ru3 C33A 88.94(15) . . ?
C33 Ru3 C1 92.55(12) . . ?
C33 Ru3 C2 106.54(13) . . ?
C33 Ru3 B4 113.38(13) . . ?
C33 Ru3 B7 146.65(13) . . ?
C33 Ru3 B8 159.80(13) . . ?
C33 Ru3 C32 89.30(16) . . ?
C33A Ru3 C1 110.43(12) . . ?
C33A Ru3 C2 90.31(11) . . ?
C33A Ru3 B4 153.69(12) . . ?
C33A Ru3 B7 105.53(12) . . ?
C33A Ru3 B8 150.62(12) . . ?
C1 B4 Ru3 68.83(10) . . ?
C1 B4 H4 118.5(12) . . ?
C1 B4 B5 57.77(12) . . ?
C1 B4 B8 105.80(15) . . ?
C1 B4 B9 104.03(15) . . ?
Ru3 B4 H4 112.0(12) . . ?
B5 B4 Ru3 122.32(13) . . ?
B5 B4 H4 111.3(13) . . ?
B5 B4 B8 107.40(16) . . ?
B8 B4 Ru3 66.45(10) . . ?
B8 B4 H4 131.9(12) . . ?
B9 B4 Ru3 120.56(14) . . ?
B9 B4 H4 121.2(12) . . ?
B9 B4 B5 59.73(13) . . ?
B9 B4 B8 59.16(13) . . ?
C3 C4 H4A 118.7 . . ?
C3 C4 C5 122.68(17) . . ?
C5 C4 H4A 118.7 . . ?
C1 B5 B4 60.08(12) . . ?
C1 B5 H5 117.4(12) . . ?
C1 B5 B6 60.69(12) . . ?
C1 B5 B9 105.91(15) . . ?
C1 B5 B10 106.03(15) . . ?
B4 B5 H5 118.5(13) . . ?
B6 B5 B4 110.87(16) . . ?
B6 B5 H5 118.2(12) . . ?
B6 B5 B9 108.54(16) . . ?
B6 B5 B10 59.48(12) . . ?
B9 B5 B4 59.86(13) . . ?
B9 B5 H5 127.2(12) . . ?
B9 B5 B10 60.09(13) . . ?
B10 B5 B4 108.75(16) . . ?
B10 B5 H5 126.9(13) . . ?
C4 C5 H5A 118.7 . . ?
C6 C5 C4 122.59(18) . . ?
C6 C5 H5A 118.7 . . ?
C1 B6 C2 55.16(10) . . ?
C1 B6 B5 58.53(12) . . ?
C1 B6 H6 114.2(12) . . ?
C1 B6 B10 105.65(15) . . ?
C1 B6 B11 103.34(15) . . ?
C2 B6 B5 103.24(15) . . ?
C2 B6 H6 115.4(12) . . ?
C2 B6 B10 105.54(14) . . ?
C2 B6 B11 58.62(11) . . ?
B5 B6 H6 123.8(12) . . ?
B5 B6 B10 61.13(13) . . ?
B5 B6 B11 108.45(15) . . ?
B10 B6 H6 134.1(12) . . ?
B10 B6 B11 60.89(12) . . ?
B11 B6 H6 126.0(12) . . ?
C1 C6 H6A 119.0 . . ?
C5 C6 C1 121.92(18) . . ?
C5 C6 H6A 119.0 . . ?
C2 B7 Ru3 68.88(9) . . ?
C2 B7 H7 118.3(11) . . ?
C2 B7 B8 105.84(14) . . ?
C2 B7 B11 57.88(11) . . ?
C2 B7 B12 104.02(15) . . ?
Ru3 B7 H7 110.2(12) . . ?
B8 B7 Ru3 66.38(10) . . ?
B8 B7 H7 131.2(12) . . ?
B11 B7 Ru3 122.43(13) . . ?
B11 B7 H7 112.9(12) . . ?
B11 B7 B8 107.42(15) . . ?
B12 B7 Ru3 120.63(14) . . ?
B12 B7 H7 122.6(11) . . ?
B12 B7 B8 59.32(13) . . ?
B12 B7 B11 59.55(12) . . ?
Ru3 B8 H8 112.6(11) . . ?
B4 B8 Ru3 66.04(10) . . ?
B4 B8 B7 105.29(14) . . ?
B4 B8 H8 126.4(12) . . ?
B7 B8 Ru3 66.11(9) . . ?
B7 B8 H8 123.4(12) . . ?
B9 B8 Ru3 120.13(13) . . ?
B9 B8 B4 59.10(13) . . ?
B9 B8 B7 106.63(16) . . ?
B9 B8 H8 118.0(11) . . ?
B9 B8 B12 60.50(13) . . ?
B12 B8 Ru3 120.08(13) . . ?
B12 B8 B4 106.66(16) . . ?
B12 B8 B7 58.98(12) . . ?
B12 B8 H8 116.3(11) . . ?
B4 B9 B8 61.74(13) . . ?
B4 B9 H9 120.7(12) . . ?
B4 B9 B10 109.21(15) . . ?
B4 B9 B12 108.22(15) . . ?
B5 B9 B4 60.41(13) . . ?
B5 B9 B8 110.00(15) . . ?
B5 B9 H9 120.4(12) . . ?
B5 B9 B10 60.11(13) . . ?
B5 B9 B12 107.11(15) . . ?
B8 B9 H9 121.2(12) . . ?
B8 B9 B10 109.47(16) . . ?
B8 B9 B12 59.87(13) . . ?
B10 B9 H9 120.5(12) . . ?
B10 B9 B12 59.62(13) . . ?
B12 B9 H9 123.4(12) . . ?
B5 B10 H10 122.3(11) . . ?
B6 B10 B5 59.39(12) . . ?
B6 B10 B9 108.22(16) . . ?
B6 B10 H10 121.0(11) . . ?
B6 B10 B11 59.59(12) . . ?
B6 B10 B12 108.31(15) . . ?
B9 B10 B5 59.80(13) . . ?
B9 B10 H10 121.8(11) . . ?
B11 B10 B5 106.09(15) . . ?
B11 B10 B9 107.68(16) . . ?
B11 B10 H10 122.7(12) . . ?
B11 B10 B12 59.82(13) . . ?
B12 B10 B5 107.61(16) . . ?
B12 B10 B9 60.58(13) . . ?
B12 B10 H10 122.0(11) . . ?
C2 B11 B6 60.56(11) . . ?
C2 B11 B7 59.91(11) . . ?
C2 B11 B10 105.98(15) . . ?
C2 B11 H11 115.4(11) . . ?
C2 B11 B12 105.81(15) . . ?
B6 B11 B7 110.58(15) . . ?
B6 B11 B10 59.52(12) . . ?
B6 B11 H11 115.6(12) . . ?
B6 B11 B12 108.51(16) . . ?
B7 B11 H11 119.7(12) . . ?
B10 B11 B7 108.66(16) . . ?
B10 B11 H11 127.2(12) . . ?
B12 B11 B7 59.83(13) . . ?
B12 B11 B10 60.13(13) . . ?
B12 B11 H11 130.0(12) . . ?
B7 B12 B8 61.70(13) . . ?
B7 B12 B9 108.08(15) . . ?
B7 B12 B10 109.24(15) . . ?
B7 B12 H12 120.5(12) . . ?
B8 B12 B9 59.63(13) . . ?
B8 B12 H12 119.3(13) . . ?
B9 B12 H12 122.4(12) . . ?
B10 B12 B8 109.42(16) . . ?
B10 B12 B9 59.80(13) . . ?
B10 B12 H12 121.8(13) . . ?
B11 B12 B7 60.62(12) . . ?
B11 B12 B8 110.17(15) . . ?
B11 B12 B9 107.26(15) . . ?
B11 B12 B10 60.06(12) . . ?
B11 B12 H12 122.1(13) . . ?
O31 C31 Ru3 178.1(3) . . ?
O31A C31A Ru3 174.9(3) . . ?
C31 O31 O31 144.6(4) . 2_655 ?
O32 C32 Ru3 177.4(3) . . ?
O32A C32A Ru3 172.9(3) . . ?
C32A O32A O32A 154.6(4) . 2 ?
O33 C33 Ru3 177.3(4) . . ?
O33A C33A Ru3 177.0(3) . . ?

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
C1 C2 C3 C4 -4.3(3) . . . . ?
C1 C2 B6 B5 -35.19(13) . . . . ?
C1 C2 B6 B10 -98.48(16) . . . . ?
C1 C2 B6 B11 -138.92(15) . . . . ?
C1 C2 B7 Ru3 -54.00(12) . . . . ?
C1 C2 B7 B8 2.22(19) . . . . ?
C1 C2 B7 B11 103.14(16) . . . . ?
C1 C2 B7 B12 63.81(18) . . . . ?
C1 C2 B11 B6 38.59(14) . . . . ?
C1 C2 B11 B7 -103.93(16) . . . . ?
C1 C2 B11 B10 -1.3(2) . . . . ?
C1 C2 B11 B12 -64.08(18) . . . . ?
C1 B4 B5 B6 34.51(14) . . . . ?
C1 B4 B5 B9 134.42(16) . . . . ?
C1 B4 B5 B10 98.12(16) . . . . ?
C1 B4 B8 Ru3 57.81(12) . . . . ?
C1 B4 B8 B7 3.33(19) . . . . ?
C1 B4 B8 B9 -97.16(16) . . . . ?
C1 B4 B8 B12 -58.25(19) . . . . ?
C1 B4 B9 B5 -38.52(14) . . . . ?
C1 B4 B9 B8 100.23(16) . . . . ?
C1 B4 B9 B10 -2.1(2) . . . . ?
C1 B4 B9 B12 61.22(19) . . . . ?
C1 B5 B6 C2 33.68(12) . . . . ?
C1 B5 B6 B10 134.32(15) . . . . ?
C1 B5 B6 B11 94.64(16) . . . . ?
C1 B5 B9 B4 40.07(14) . . . . ?
C1 B5 B9 B8 1.9(2) . . . . ?
C1 B5 B9 B10 -99.63(16) . . . . ?
C1 B5 B9 B12 -61.56(19) . . . . ?
C1 B5 B10 B6 -40.47(14) . . . . ?
C1 B5 B10 B9 99.42(16) . . . . ?
C1 B5 B10 B11 -2.0(2) . . . . ?
C1 B5 B10 B12 60.79(19) . . . . ?
C1 B6 B10 B5 39.32(14) . . . . ?
C1 B6 B10 B9 3.4(2) . . . . ?
C1 B6 B10 B11 -96.79(16) . . . . ?
C1 B6 B10 B12 -60.72(19) . . . . ?
C1 B6 B11 C2 -33.66(12) . . . . ?
C1 B6 B11 B7 0.57(19) . . . . ?
C1 B6 B11 B10 100.68(16) . . . . ?
C1 B6 B11 B12 64.44(17) . . . . ?
C2 C1 B4 Ru3 54.16(12) . . . . ?
C2 C1 B4 B5 -103.04(16) . . . . ?
C2 C1 B4 B8 -2.1(2) . . . . ?
C2 C1 B4 B9 -63.56(19) . . . . ?
C2 C1 B5 B4 104.01(16) . . . . ?
C2 C1 B5 B6 -38.61(14) . . . . ?
C2 C1 B5 B9 64.04(19) . . . . ?
C2 C1 B5 B10 1.3(2) . . . . ?
C2 C1 B6 B5 138.88(15) . . . . ?
C2 C1 B6 B10 98.28(15) . . . . ?
C2 C1 B6 B11 35.21(13) . . . . ?
C2 C1 C6 C5 3.0(3) . . . . ?
C2 C3 C4 C5 3.6(3) . . . . ?
C2 B6 B10 B5 96.78(16) . . . . ?
C2 B6 B10 B9 60.89(19) . . . . ?
C2 B6 B10 B11 -39.33(14) . . . . ?
C2 B6 B10 B12 -3.3(2) . . . . ?
C2 B6 B11 B7 34.23(14) . . . . ?
C2 B6 B11 B10 134.34(16) . . . . ?
C2 B6 B11 B12 98.10(16) . . . . ?
C2 B7 B8 Ru3 -57.80(11) . . . . ?
C2 B7 B8 B4 -3.36(19) . . . . ?
C2 B7 B8 B9 58.35(18) . . . . ?
C2 B7 B8 B12 97.15(16) . . . . ?
C2 B7 B11 B6 -34.48(14) . . . . ?
C2 B7 B11 B10 -98.06(16) . . . . ?
C2 B7 B11 B12 -134.50(16) . . . . ?
C2 B7 B12 B8 -100.31(15) . . . . ?
C2 B7 B12 B9 -61.54(18) . . . . ?
C2 B7 B12 B10 1.9(2) . . . . ?
C2 B7 B12 B11 38.50(13) . . . . ?
C2 B11 B12 B7 -39.89(14) . . . . ?
C2 B11 B12 B8 -1.7(2) . . . . ?
C2 B11 B12 B9 61.52(19) . . . . ?
C2 B11 B12 B10 99.63(16) . . . . ?
C3 C2 B6 C1 -108.47(16) . . . . ?
C3 C2 B6 B5 -143.66(15) . . . . ?
C3 C2 B6 B10 153.05(16) . . . . ?
C3 C2 B6 B11 112.61(17) . . . . ?
C3 C2 B7 Ru3 95.02(17) . . . . ?
C3 C2 B7 B8 151.24(17) . . . . ?
C3 C2 B7 B11 -107.8(2) . . . . ?
C3 C2 B7 B12 -147.17(18) . . . . ?
C3 C2 B11 B6 -99.94(18) . . . . ?
C3 C2 B11 B7 117.54(18) . . . . ?
C3 C2 B11 B10 -139.82(17) . . . . ?
C3 C2 B11 B12 157.40(16) . . . . ?
C3 C4 C5 C6 0.9(3) . . . . ?
Ru3 C1 C2 C3 -100.22(14) . . . . ?
Ru3 C1 C2 B6 157.41(11) . . . . ?
Ru3 C1 C2 B7 52.21(12) . . . . ?
Ru3 C1 C2 B11 119.51(13) . . . . ?
Ru3 C1 B4 B5 -157.20(13) . . . . ?
Ru3 C1 B4 B8 -56.30(12) . . . . ?
Ru3 C1 B4 B9 -117.72(14) . . . . ?
Ru3 C1 B5 B4 25.21(14) . . . . ?
Ru3 C1 B5 B6 -117.41(15) . . . . ?
Ru3 C1 B5 B9 -14.8(2) . . . . ?
Ru3 C1 B5 B10 -77.52(18) . . . . ?
Ru3 C1 B6 C2 -26.88(13) . . . . ?
Ru3 C1 B6 B5 112.00(15) . . . . ?
Ru3 C1 B6 B10 71.41(18) . . . . ?
Ru3 C1 B6 B11 8.33(19) . . . . ?
Ru3 C1 C6 C5 78.5(2) . . . . ?
Ru3 C2 C3 C4 -79.4(2) . . . . ?
Ru3 C2 B6 C1 26.78(13) . . . . ?
Ru3 C2 B6 B5 -8.41(19) . . . . ?
Ru3 C2 B6 B10 -71.70(18) . . . . ?
Ru3 C2 B6 B11 -112.14(15) . . . . ?
Ru3 C2 B7 B8 56.22(11) . . . . ?
Ru3 C2 B7 B11 157.13(13) . . . . ?
Ru3 C2 B7 B12 117.81(14) . . . . ?
Ru3 C2 B11 B6 117.20(15) . . . . ?
Ru3 C2 B11 B7 -25.31(14) . . . . ?
Ru3 C2 B11 B10 77.32(17) . . . . ?
Ru3 C2 B11 B12 14.5(2) . . . . ?
Ru3 B4 B5 C1 -25.31(14) . . . . ?
Ru3 B4 B5 B6 9.2(2) . . . . ?
Ru3 B4 B5 B9 109.10(17) . . . . ?
Ru3 B4 B5 B10 72.80(18) . . . . ?
Ru3 B4 B8 B7 -54.48(12) . . . . ?
Ru3 B4 B8 B9 -154.97(13) . . . . ?
Ru3 B4 B8 B12 -116.07(14) . . . . ?
Ru3 B4 B9 B5 -111.98(16) . . . . ?
Ru3 B4 B9 B8 26.77(14) . . . . ?
Ru3 B4 B9 B10 -75.55(19) . . . . ?
Ru3 B4 B9 B12 -12.2(2) . . . . ?
Ru3 B7 B8 B4 54.44(12) . . . . ?
Ru3 B7 B8 B9 116.15(14) . . . . ?
Ru3 B7 B8 B12 154.95(13) . . . . ?
Ru3 B7 B11 C2 25.43(14) . . . . ?
Ru3 B7 B11 B6 -9.0(2) . . . . ?
Ru3 B7 B11 B10 -72.62(18) . . . . ?
Ru3 B7 B11 B12 -109.07(17) . . . . ?
Ru3 B7 B12 B8 -26.80(14) . . . . ?
Ru3 B7 B12 B9 12.0(2) . . . . ?
Ru3 B7 B12 B10 75.45(19) . . . . ?
Ru3 B7 B12 B11 112.01(16) . . . . ?
Ru3 B8 B9 B4 -26.55(14) . . . . ?
Ru3 B8 B9 B5 11.0(2) . . . . ?
Ru3 B8 B9 B10 75.34(19) . . . . ?
Ru3 B8 B9 B12 109.72(16) . . . . ?
Ru3 B8 B12 B7 26.57(14) . . . . ?
Ru3 B8 B12 B9 -109.80(16) . . . . ?
Ru3 B8 B12 B10 -75.37(18) . . . . ?
Ru3 B8 B12 B11 -11.1(2) . . . . ?
B4 C1 C2 C3 -152.49(16) . . . . ?
B4 C1 C2 Ru3 -52.26(12) . . . . ?
B4 C1 C2 B6 105.15(16) . . . . ?
B4 C1 C2 B7 -0.1(2) . . . . ?
B4 C1 C2 B11 67.25(19) . . . . ?
B4 C1 B5 B6 -142.62(15) . . . . ?
B4 C1 B5 B9 -39.96(15) . . . . ?
B4 C1 B5 B10 -102.73(16) . . . . ?
B4 C1 B6 C2 -103.31(16) . . . . ?
B4 C1 B6 B5 35.57(15) . . . . ?
B4 C1 B6 B10 -5.0(2) . . . . ?
B4 C1 B6 B11 -68.10(18) . . . . ?
B4 C1 C6 C5 151.9(2) . . . . ?
B4 B5 B6 C1 -34.27(14) . . . . ?
B4 B5 B6 C2 -0.59(19) . . . . ?
B4 B5 B6 B10 100.05(17) . . . . ?
B4 B5 B6 B11 60.37(19) . . . . ?
B4 B5 B9 B8 -38.17(16) . . . . ?
B4 B5 B9 B10 -139.70(16) . . . . ?
B4 B5 B9 B12 -101.62(17) . . . . ?
B4 B5 B10 B6 -103.69(17) . . . . ?
B4 B5 B10 B9 36.21(15) . . . . ?
B4 B5 B10 B11 -65.21(19) . . . . ?
B4 B5 B10 B12 -2.4(2) . . . . ?
B4 B8 B9 B5 37.60(15) . . . . ?
B4 B8 B9 B10 101.89(16) . . . . ?
B4 B8 B9 B12 136.27(15) . . . . ?
B4 B8 B12 B7 98.12(16) . . . . ?
B4 B8 B12 B9 -38.26(14) . . . . ?
B4 B8 B12 B10 -3.8(2) . . . . ?
B4 B8 B12 B11 60.44(19) . . . . ?
B4 B9 B10 B5 -36.55(15) . . . . ?
B4 B9 B10 B6 -0.8(2) . . . . ?
B4 B9 B10 B11 62.13(19) . . . . ?
B4 B9 B10 B12 100.35(17) . . . . ?
B4 B9 B12 B7 0.2(2) . . . . ?
B4 B9 B12 B8 39.87(15) . . . . ?
B4 B9 B12 B10 -102.03(16) . . . . ?
B4 B9 B12 B11 -63.8(2) . . . . ?
C4 C5 C6 C1 -4.2(3) . . . . ?
B5 C1 C2 C3 140.28(16) . . . . ?
B5 C1 C2 Ru3 -119.50(13) . . . . ?
B5 C1 C2 B6 37.92(14) . . . . ?
B5 C1 C2 B7 -67.29(18) . . . . ?
B5 C1 C2 B11 0.0(2) . . . . ?
B5 C1 B4 Ru3 157.20(13) . . . . ?
B5 C1 B4 B8 100.90(17) . . . . ?
B5 C1 B4 B9 39.48(15) . . . . ?
B5 C1 B6 C2 -138.88(15) . . . . ?
B5 C1 B6 B10 -40.59(14) . . . . ?
B5 C1 B6 B11 -103.67(16) . . . . ?
B5 C1 C6 C5 -132.6(2) . . . . ?
B5 B4 B8 Ru3 118.33(14) . . . . ?
B5 B4 B8 B7 63.85(18) . . . . ?
B5 B4 B8 B9 -36.64(15) . . . . ?
B5 B4 B8 B12 2.3(2) . . . . ?
B5 B4 B9 B8 138.75(16) . . . . ?
B5 B4 B9 B10 36.43(15) . . . . ?
B5 B4 B9 B12 99.74(17) . . . . ?
B5 B6 B10 B9 -35.88(15) . . . . ?
B5 B6 B10 B11 -136.11(16) . . . . ?
B5 B6 B10 B12 -100.05(18) . . . . ?
B5 B6 B11 C2 -94.55(16) . . . . ?
B5 B6 B11 B7 -60.32(19) . . . . ?
B5 B6 B11 B10 39.79(15) . . . . ?
B5 B6 B11 B12 3.6(2) . . . . ?
B5 B9 B10 B6 35.71(15) . . . . ?
B5 B9 B10 B11 98.68(16) . . . . ?
B5 B9 B10 B12 136.90(16) . . . . ?
B5 B9 B12 B7 63.9(2) . . . . ?
B5 B9 B12 B8 103.60(17) . . . . ?
B5 B9 B12 B10 -38.30(15) . . . . ?
B5 B9 B12 B11 -0.1(2) . . . . ?
B5 B10 B11 C2 2.0(2) . . . . ?
B5 B10 B11 B6 -38.39(14) . . . . ?
B5 B10 B11 B7 65.01(18) . . . . ?
B5 B10 B11 B12 101.33(17) . . . . ?
B5 B10 B12 B7 -61.9(2) . . . . ?
B5 B10 B12 B8 3.9(2) . . . . ?
B5 B10 B12 B9 38.28(14) . . . . ?
B5 B10 B12 B11 -98.73(16) . . . . ?
B6 C1 C2 C3 102.36(17) . . . . ?
B6 C1 C2 Ru3 -157.41(11) . . . . ?
B6 C1 C2 B7 -105.20(15) . . . . ?
B6 C1 C2 B11 -37.91(14) . . . . ?
B6 C1 B4 Ru3 122.16(13) . . . . ?
B6 C1 B4 B5 -35.04(15) . . . . ?
B6 C1 B4 B8 65.86(19) . . . . ?
B6 C1 B4 B9 4.4(2) . . . . ?
B6 C1 B5 B4 142.62(15) . . . . ?
B6 C1 B5 B9 102.66(17) . . . . ?
B6 C1 B5 B10 39.89(14) . . . . ?
B6 C1 C6 C5 -65.4(2) . . . . ?
B6 C2 C3 C4 64.5(2) . . . . ?
B6 C2 B7 Ru3 -121.97(13) . . . . ?
B6 C2 B7 B8 -65.76(18) . . . . ?
B6 C2 B7 B11 35.16(15) . . . . ?
B6 C2 B7 B12 -4.2(2) . . . . ?
B6 C2 B11 B7 -142.51(16) . . . . ?
B6 C2 B11 B10 -39.88(14) . . . . ?
B6 C2 B11 B12 -102.66(16) . . . . ?
B6 B5 B9 B4 103.88(17) . . . . ?
B6 B5 B9 B8 65.7(2) . . . . ?
B6 B5 B9 B10 -35.83(15) . . . . ?
B6 B5 B9 B12 2.3(2) . . . . ?
B6 B5 B10 B9 139.89(16) . . . . ?
B6 B5 B10 B11 38.48(14) . . . . ?
B6 B5 B10 B12 101.26(16) . . . . ?
B6 B10 B11 C2 40.38(14) . . . . ?
B6 B10 B11 B7 103.40(16) . . . . ?
B6 B10 B11 B12 139.72(16) . . . . ?
B6 B10 B12 B7 0.8(2) . . . . ?
B6 B10 B12 B8 66.7(2) . . . . ?
B6 B10 B12 B9 101.04(17) . . . . ?
B6 B10 B12 B11 -35.97(15) . . . . ?
B6 B11 B12 B7 -103.54(16) . . . . ?
B6 B11 B12 B8 -65.39(19) . . . . ?
B6 B11 B12 B9 -2.1(2) . . . . ?
B6 B11 B12 B10 35.99(15) . . . . ?
C6 C1 C2 C3 1.2(2) . . . . ?
C6 C1 C2 Ru3 101.38(15) . . . . ?
C6 C1 C2 B6 -101.21(17) . . . . ?
C6 C1 C2 B7 153.59(16) . . . . ?
C6 C1 C2 B11 -139.11(16) . . . . ?
C6 C1 B4 Ru3 -95.77(18) . . . . ?
C6 C1 B4 B5 107.0(2) . . . . ?
C6 C1 B4 B8 -152.07(18) . . . . ?
C6 C1 B4 B9 146.51(18) . . . . ?
C6 C1 B5 B4 -118.66(19) . . . . ?
C6 C1 B5 B6 98.72(18) . . . . ?
C6 C1 B5 B9 -158.63(17) . . . . ?
C6 C1 B5 B10 138.60(17) . . . . ?
C6 C1 B6 C2 108.47(17) . . . . ?
C6 C1 B6 B5 -112.65(17) . . . . ?
C6 C1 B6 B10 -153.24(16) . . . . ?
C6 C1 B6 B11 143.68(16) . . . . ?
B7 C2 C3 C4 -152.24(19) . . . . ?
B7 C2 B6 C1 103.22(16) . . . . ?
B7 C2 B6 B5 68.03(18) . . . . ?
B7 C2 B6 B10 4.7(2) . . . . ?
B7 C2 B6 B11 -35.70(15) . . . . ?
B7 C2 B11 B6 142.51(16) . . . . ?
B7 C2 B11 B10 102.63(17) . . . . ?
B7 C2 B11 B12 39.85(14) . . . . ?
B7 B8 B9 B4 -98.17(16) . . . . ?
B7 B8 B9 B5 -60.6(2) . . . . ?
B7 B8 B9 B10 3.7(2) . . . . ?
B7 B8 B9 B12 38.10(14) . . . . ?
B7 B8 B12 B9 -136.38(15) . . . . ?
B7 B8 B12 B10 -101.94(16) . . . . ?
B7 B8 B12 B11 -37.68(15) . . . . ?
B7 B11 B12 B8 38.15(15) . . . . ?
B7 B11 B12 B9 101.42(17) . . . . ?
B7 B11 B12 B10 139.53(16) . . . . ?
B8 B4 B5 C1 -98.03(16) . . . . ?
B8 B4 B5 B6 -63.52(19) . . . . ?
B8 B4 B5 B9 36.39(15) . . . . ?
B8 B4 B5 B10 0.1(2) . . . . ?
B8 B4 B9 B5 -138.75(16) . . . . ?
B8 B4 B9 B10 -102.32(17) . . . . ?
B8 B4 B9 B12 -39.01(15) . . . . ?
B8 B7 B11 C2 98.09(15) . . . . ?
B8 B7 B11 B6 63.61(18) . . . . ?
B8 B7 B11 B10 0.04(19) . . . . ?
B8 B7 B11 B12 -36.41(14) . . . . ?
B8 B7 B12 B9 38.77(15) . . . . ?
B8 B7 B12 B10 102.25(17) . . . . ?
B8 B7 B12 B11 138.81(16) . . . . ?
B8 B9 B10 B5 -102.43(17) . . . . ?
B8 B9 B10 B6 -66.72(19) . . . . ?
B8 B9 B10 B11 -3.7(2) . . . . ?
B8 B9 B10 B12 34.47(14) . . . . ?
B8 B9 B12 B7 -39.72(15) . . . . ?
B8 B9 B12 B10 -141.90(16) . . . . ?
B8 B9 B12 B11 -103.67(16) . . . . ?
B9 B4 B5 C1 -134.42(16) . . . . ?
B9 B4 B5 B6 -99.91(17) . . . . ?
B9 B4 B5 B10 -36.30(15) . . . . ?
B9 B4 B8 Ru3 154.97(13) . . . . ?
B9 B4 B8 B7 100.49(16) . . . . ?
B9 B4 B8 B12 38.91(14) . . . . ?
B9 B5 B6 C1 -98.24(17) . . . . ?
B9 B5 B6 C2 -64.56(18) . . . . ?
B9 B5 B6 B10 36.08(15) . . . . ?
B9 B5 B6 B11 -3.6(2) . . . . ?
B9 B5 B10 B6 -139.89(16) . . . . ?
B9 B5 B10 B11 -101.41(17) . . . . ?
B9 B5 B10 B12 -38.64(15) . . . . ?
B9 B8 B12 B7 136.38(15) . . . . ?
B9 B8 B12 B10 34.44(15) . . . . ?
B9 B8 B12 B11 98.69(17) . . . . ?
B9 B10 B11 C2 -60.77(18) . . . . ?
B9 B10 B11 B6 -101.16(17) . . . . ?
B9 B10 B11 B7 2.24(19) . . . . ?
B9 B10 B11 B12 38.57(14) . . . . ?
B9 B10 B12 B7 -100.20(17) . . . . ?
B9 B10 B12 B8 -34.37(15) . . . . ?
B9 B10 B12 B11 -137.01(16) . . . . ?
B10 B5 B6 C1 -134.32(15) . . . . ?
B10 B5 B6 C2 -100.64(15) . . . . ?
B10 B5 B6 B11 -39.68(15) . . . . ?
B10 B5 B9 B4 139.70(16) . . . . ?
B10 B5 B9 B8 101.53(17) . . . . ?
B10 B5 B9 B12 38.08(15) . . . . ?
B10 B6 B11 C2 -134.34(16) . . . . ?
B10 B6 B11 B7 -100.11(17) . . . . ?
B10 B6 B11 B12 -36.24(15) . . . . ?
B10 B9 B12 B7 102.18(16) . . . . ?
B10 B9 B12 B8 141.90(16) . . . . ?
B10 B9 B12 B11 38.23(15) . . . . ?
B10 B11 B12 B7 -139.52(16) . . . . ?
B10 B11 B12 B8 -101.38(17) . . . . ?
B10 B11 B12 B9 -38.11(15) . . . . ?
B11 C2 C3 C4 132.3(2) . . . . ?
B11 C2 B6 C1 138.92(15) . . . . ?
B11 C2 B6 B5 103.73(16) . . . . ?
B11 C2 B6 B10 40.43(15) . . . . ?
B11 C2 B7 Ru3 -157.13(13) . . . . ?
B11 C2 B7 B8 -100.92(16) . . . . ?
B11 C2 B7 B12 -39.33(14) . . . . ?
B11 B6 B10 B5 136.11(16) . . . . ?
B11 B6 B10 B9 100.23(17) . . . . ?
B11 B6 B10 B12 36.06(15) . . . . ?
B11 B7 B8 Ru3 -118.44(13) . . . . ?
B11 B7 B8 B4 -64.00(18) . . . . ?
B11 B7 B8 B9 -2.29(19) . . . . ?
B11 B7 B8 B12 36.51(14) . . . . ?
B11 B7 B12 B8 -138.81(16) . . . . ?
B11 B7 B12 B9 -100.04(16) . . . . ?
B11 B7 B12 B10 -36.56(15) . . . . ?
B11 B10 B12 B7 36.80(15) . . . . ?
B11 B10 B12 B8 102.64(17) . . . . ?
B11 B10 B12 B9 137.01(16) . . . . ?
B12 B7 B8 Ru3 -154.95(13) . . . . ?
B12 B7 B8 B4 -100.51(16) . . . . ?
B12 B7 B8 B9 -38.81(14) . . . . ?
B12 B7 B11 C2 134.50(15) . . . . ?
B12 B7 B11 B6 100.02(17) . . . . ?
B12 B7 B11 B10 36.45(14) . . . . ?
B12 B8 B9 B4 -136.27(15) . . . . ?
B12 B8 B9 B5 -98.67(17) . . . . ?
B12 B8 B9 B10 -34.37(14) . . . . ?
B12 B9 B10 B5 -136.90(16) . . . . ?
B12 B9 B10 B6 -101.19(16) . . . . ?
B12 B9 B10 B11 -38.22(14) . . . . ?
B12 B10 B11 C2 -99.34(16) . . . . ?
B12 B10 B11 B6 -139.72(16) . . . . ?
B12 B10 B11 B7 -36.32(14) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5118
_database_code_depnum_ccdc_archive 'CCDC 1479546'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-06-07 downloaded from the CCDC.
;
_audit_creation_date             2014-10-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C9 H15 B9 O3 Ru'
_chemical_formula_sum            'C9 H15 B9 O3 Ru'
_chemical_formula_weight         369.57
_chemical_melting_point          ?
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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, -y, z+1/2'
3 'x+1/2, -y+1/2, -z+1/2'
4 '-x, y+1/2, -z'
5 '-x, -y, -z'
6 'x-1/2, y, -z-1/2'
7 '-x-1/2, y-1/2, z-1/2'
8 'x, -y-1/2, z'

_cell_length_a                   15.536(11)
_cell_length_b                   10.829(7)
_cell_length_c                   9.115(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1533.6(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9925
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      35.815
_cell_measurement_theta_min      2.621
_exptl_absorpt_coefficient_mu    1.020
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.6893
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0504 before and 0.0397 after correction.
The Ratio of minimum to maximum transmission is 0.9226.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.35
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_unetI/netI     0.0121
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            44802
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         35.95
_diffrn_reflns_theta_min         2.92
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_number         0
_reflns_number_gt                3551
_reflns_number_total             3756
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2013)'
_refine_diff_density_max         0.522
_refine_diff_density_min         -0.746
_refine_diff_density_rms         0.060
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     124
_refine_ls_number_reflns         3756
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0193
_refine_ls_R_factor_gt           0.0175
_refine_ls_restrained_S_all      1.108
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0160P)²+0.6253P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0406
_refine_ls_wR_factor_ref         0.0412
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C1 C 0.84291(5) 0.67323(8) 0.41621(8) 0.01249(12) Uani 1 d . . 1 . . .
Ru3 Ru 0.707573(5) 0.7500 0.385531(9) 0.01024(2) Uani 1 d . . 2 S T P
C3 C 0.87195(5) 0.60527(8) 0.27743(9) 0.01546(13) Uani 1 d . . 1 . . .
H3A H 0.9256 0.5596 0.2995 0.019 Uiso 1 calc . . 1 R . .
H3B H 0.8274 0.5438 0.2507 0.019 Uiso 1 calc . . 1 R . .
C4 C 0.88769(5) 0.68820(9) 0.14759(9) 0.01642(14) Uani 1 d . . 1 . . .
H4 H 0.8987 0.6488 0.0564 0.020 Uiso 1 calc . . 1 R . .
B4 B 0.77052(6) 0.61588(9) 0.54345(10) 0.01405(14) Uani 1 d . . 1 . . .
H4A H 0.7455(8) 0.5233(12) 0.5288(14) 0.017 Uiso 1 d . . 1 R . .
B5 B 0.88382(6) 0.61787(10) 0.57941(10) 0.01613(15) Uani 1 d . . 1 . . .
H5 H 0.9185(8) 0.5346(13) 0.5741(14) 0.019 Uiso 1 d . . 1 R . .
B6 B 0.92905(8) 0.7500 0.49785(15) 0.0161(2) Uani 1 d . . 2 S T P
H6 H 0.9880(12) 0.7500 0.436(2) 0.019 Uiso 1 d . . 2 RS T P
B8 B 0.72168(9) 0.7500 0.63469(14) 0.0144(2) Uani 1 d . . 2 S T P
H8 H 0.6611(12) 0.7500 0.694(2) 0.017 Uiso 1 d . . 2 RS T P
B9 B 0.80939(6) 0.66735(10) 0.71672(10) 0.01597(15) Uani 1 d . . 1 . . .
H9 H 0.7987(8) 0.6129(13) 0.8150(15) 0.019 Uiso 1 d . . 1 R . .
B10 B 0.90773(9) 0.7500 0.68895(15) 0.0178(2) Uani 1 d . . 2 S T P
H10 H 0.9613(12) 0.7500 0.768(2) 0.021 Uiso 1 d . . 2 RS T P
O31 O 0.68645(7) 0.7500 0.04442(11) 0.0256(2) Uani 1 d . . 2 S T P
C31 C 0.70072(7) 0.7500 0.16653(14) 0.0170(2) Uani 1 d . . 2 S T P
O32 O 0.56667(4) 0.94636(7) 0.39812(8) 0.02159(13) Uani 1 d . . 1 . . .
C32 C 0.61930(5) 0.87396(8) 0.38771(9) 0.01522(13) Uani 1 d . . 1 . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
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
C1 C1 1.6627(19) 8_575 ?
C1 Ru3 2.2783(16) . ?
C1 C3 1.5315(13) . ?
C1 B4 1.7308(14) . ?
C1 B5 1.7252(14) . ?
C1 B6 1.7424(16) . ?
Ru3 C1 2.2783(16) 8_575 ?
Ru3 B4 2.2667(12) . ?
Ru3 B4 2.2667(12) 8_575 ?
Ru3 B8 2.2817(18) . ?
Ru3 C31 1.9991(17) . ?
Ru3 C32 1.9192(12) . ?
Ru3 C32 1.9192(12) 8_575 ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.5057(14) . ?
C4 C4 1.338(2) 8_575 ?
C4 H4 0.9500 . ?
B4 H4A 1.083(13) . ?
B4 B5 1.7906(18) . ?
B4 B8 1.8376(14) . ?
B4 B9 1.7804(15) . ?
B5 H5 1.052(13) . ?
B5 B6 1.7590(15) . ?
B5 B9 1.7863(15) . ?
B5 B10 1.7839(15) . ?
B6 C1 1.7424(16) 8_575 ?
B6 B5 1.7590(15) 8_575 ?
B6 H6 1.076(19) . ?
B6 B10 1.773(2) . ?
B8 B4 1.8376(14) 8_575 ?
B8 H8 1.085(18) . ?
B8 B9 1.7936(17) 8_575 ?
B8 B9 1.7936(17) . ?
B9 B9 1.790(2) 8_575 ?
B9 H9 1.086(14) . ?
B9 B10 1.7887(18) . ?
B10 B5 1.7840(15) 8_575 ?
B10 B9 1.7887(18) 8_575 ?
B10 H10 1.099(18) . ?
O31 C31 1.1349(17) . ?
O32 C32 1.1368(12) . ?

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
C1 C1 Ru3 68.60(3) 8_575 . ?
C1 C1 B4 111.03(4) 8_575 . ?
C1 C1 B5 110.33(5) 8_575 . ?
C1 C1 B6 61.50(4) 8_575 . ?
C3 C1 C1 118.72(5) . 8_575 ?
C3 C1 Ru3 110.23(5) . . ?
C3 C1 B4 124.92(7) . . ?
C3 C1 B5 115.90(8) . . ?
C3 C1 B6 110.84(8) . . ?
B4 C1 Ru3 67.26(5) . . ?
B4 C1 B6 112.59(8) . . ?
B5 C1 Ru3 124.94(5) . . ?
B5 C1 B4 62.41(7) . . ?
B5 C1 B6 60.96(6) . . ?
B6 C1 Ru3 125.96(6) . . ?
C1 Ru3 C1 42.80(5) . 8_575 ?
C1 Ru3 B8 77.83(4) 8_575 . ?
C1 Ru3 B8 77.83(4) . . ?
B4 Ru3 C1 44.77(3) 8_575 8_575 ?
B4 Ru3 C1 44.77(3) . . ?
B4 Ru3 C1 75.97(4) . 8_575 ?
B4 Ru3 C1 75.97(4) 8_575 . ?
B4 Ru3 B4 79.69(6) 8_575 . ?
B4 Ru3 B8 47.66(3) 8_575 . ?
B4 Ru3 B8 47.66(3) . . ?
C31 Ru3 C1 99.89(4) . 8_575 ?
C31 Ru3 C1 99.89(4) . . ?
C31 Ru3 B4 131.08(4) . . ?
C31 Ru3 B4 131.08(4) . 8_575 ?
C31 Ru3 B8 177.54(5) . . ?
C32 Ru3 C1 155.99(3) . . ?
C32 Ru3 C1 155.99(3) 8_575 8_575 ?
C32 Ru3 C1 113.77(5) . 8_575 ?
C32 Ru3 C1 113.77(6) 8_575 . ?
C32 Ru3 B4 138.58(4) 8_575 8_575 ?
C32 Ru3 B4 138.58(4) . . ?
C32 Ru3 B4 81.58(5) . 8_575 ?
C32 Ru3 B4 81.58(5) 8_575 . ?
C32 Ru3 B8 93.35(3) . . ?
C32 Ru3 B8 93.35(3) 8_575 . ?
C32 Ru3 C31 88.41(3) 8_575 . ?
C32 Ru3 C31 88.41(3) . . ?
C32 Ru3 C32 88.76(7) . 8_575 ?
C1 C3 H3A 108.7 . . ?
C1 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C4 C3 C1 114.23(8) . . ?
C4 C3 H3A 108.7 . . ?
C4 C3 H3B 108.7 . . ?
C3 C4 H4 116.7 . . ?
C4 C4 C3 126.62(5) 8_575 . ?
C4 C4 H4 116.7 8_575 . ?
C1 B4 Ru3 67.97(6) . . ?
C1 B4 H4A 118.8(7) . . ?
C1 B4 B5 58.64(6) . . ?
C1 B4 B8 106.74(7) . . ?
C1 B4 B9 105.17(8) . . ?
Ru3 B4 H4A 111.1(7) . . ?
B5 B4 Ru3 122.19(6) . . ?
B5 B4 H4A 112.7(7) . . ?
B5 B4 B8 108.27(7) . . ?
B8 B4 Ru3 66.60(6) . . ?
B8 B4 H4A 129.7(7) . . ?
B9 B4 Ru3 120.60(7) . . ?
B9 B4 H4A 121.4(7) . . ?
B9 B4 B5 60.03(5) . . ?
B9 B4 B8 59.41(6) . . ?
C1 B5 B4 58.95(5) . . ?
C1 B5 H5 116.6(7) . . ?
C1 B5 B6 60.00(6) . . ?
C1 B5 B9 105.16(7) . . ?
C1 B5 B10 106.30(8) . . ?
B4 B5 H5 119.0(7) . . ?
B6 B5 B4 108.98(7) . . ?
B6 B5 H5 118.3(7) . . ?
B6 B5 B9 108.11(8) . . ?
B6 B5 B10 60.06(8) . . ?
B9 B5 B4 59.70(6) . . ?
B9 B5 H5 128.4(7) . . ?
B10 B5 B4 108.47(7) . . ?
B10 B5 H5 127.4(7) . . ?
B10 B5 B9 60.13(7) . . ?
C1 B6 C1 57.00(8) 8_575 . ?
C1 B6 B5 105.17(9) 8_575 . ?
C1 B6 B5 105.17(9) . 8_575 ?
C1 B6 B5 59.03(6) 8_575 8_575 ?
C1 B6 B5 59.03(6) . . ?
C1 B6 H6 115.4(9) 8_575 . ?
C1 B6 H6 115.4(9) . . ?
C1 B6 B10 106.02(8) 8_575 . ?
C1 B6 B10 106.02(8) . . ?
B5 B6 B5 108.87(10) . 8_575 ?
B5 B6 H6 124.20(19) . . ?
B5 B6 H6 124.2(2) 8_575 . ?
B5 B6 B10 60.67(6) . . ?
B5 B6 B10 60.67(6) 8_575 . ?
B10 B6 H6 132.5(10) . . ?
Ru3 B8 H8 114.3(10) . . ?
B4 B8 Ru3 65.74(5) 8_575 . ?
B4 B8 Ru3 65.74(5) . . ?
B4 B8 B4 104.44(9) 8_575 . ?
B4 B8 H8 125.7(2) . . ?
B4 B8 H8 125.7(2) 8_575 . ?
B9 B8 Ru3 119.21(6) 8_575 . ?
B9 B8 Ru3 119.21(6) . . ?
B9 B8 B4 58.71(6) . . ?
B9 B8 B4 105.63(9) 8_575 . ?
B9 B8 B4 105.62(9) . 8_575 ?
B9 B8 B4 58.70(6) 8_575 8_575 ?
B9 B8 H8 116.9(8) . . ?
B9 B8 H8 116.9(8) 8_575 . ?
B9 B8 B9 59.87(9) 8_575 . ?
B4 B9 B5 60.27(7) . . ?
B4 B9 B8 61.88(6) . . ?
B4 B9 B9 108.24(5) . 8_575 ?
B4 B9 H9 120.7(7) . . ?
B4 B9 B10 108.71(7) . . ?
B5 B9 B8 110.45(8) . . ?
B5 B9 B9 107.46(5) . 8_575 ?
B5 B9 H9 120.9(7) . . ?
B5 B9 B10 59.87(6) . . ?
B8 B9 H9 120.0(7) . . ?
B9 B9 B8 60.07(4) 8_575 . ?
B9 B9 H9 122.9(8) 8_575 . ?
B10 B9 B8 109.89(8) . . ?
B10 B9 B9 59.98(5) . 8_575 ?
B10 B9 H9 121.3(7) . . ?
B5 B10 B5 106.66(10) . 8_575 ?
B5 B10 B9 107.62(9) 8_575 . ?
B5 B10 B9 60.00(6) 8_575 8_575 ?
B5 B10 B9 107.62(9) . 8_575 ?
B5 B10 B9 60.00(6) . . ?
B5 B10 H10 121.5(3) 8_575 . ?
B5 B10 H10 121.5(3) . . ?
B6 B10 B5 59.27(6) . 8_575 ?
B6 B10 B5 59.27(6) . . ?
B6 B10 B9 107.37(8) . 8_575 ?
B6 B10 B9 107.37(8) . . ?
B6 B10 H10 120.0(10) . . ?
B9 B10 B9 60.05(9) . 8_575 ?
B9 B10 H10 123.7(8) . . ?
B9 B10 H10 123.7(8) 8_575 . ?
O31 C31 Ru3 171.79(10) . . ?
O32 C32 Ru3 175.76(8) . . ?

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
C1 C1 Ru3 B4 -36.17(3) 8_575 . . 8_575 ?
C1 C1 Ru3 B4 -125.60(4) 8_575 . . . ?
C1 C1 Ru3 B8 -85.149(16) 8_575 . . . ?
C1 C1 Ru3 C31 93.918(16) 8_575 . . . ?
C1 C1 Ru3 C32 -14.88(7) 8_575 . . . ?
C1 C1 Ru3 C32 -173.44(3) 8_575 . . 8_575 ?
C1 C1 C3 C4 -6.99(8) 8_575 . . . ?
C1 C1 B4 Ru3 54.20(3) 8_575 . . . ?
C1 C1 B4 B5 -102.66(5) 8_575 . . . ?
C1 C1 B4 B8 -1.11(7) 8_575 . . . ?
C1 C1 B4 B9 -63.14(6) 8_575 . . . ?
C1 C1 B5 B4 103.77(5) 8_575 . . . ?
C1 C1 B5 B6 -38.02(5) 8_575 . . . ?
C1 C1 B5 B9 64.42(7) 8_575 . . . ?
C1 C1 B5 B10 1.69(7) 8_575 . . . ?
C1 C1 B6 B5 35.72(5) 8_575 . . 8_575 ?
C1 C1 B6 B5 138.91(6) 8_575 . . . ?
C1 C1 B6 B10 98.97(5) 8_575 . . . ?
C1 Ru3 B4 C1 -34.71(5) 8_575 . . . ?
C1 Ru3 B4 B5 -11.35(6) 8_575 . . . ?
C1 Ru3 B4 B5 23.36(6) . . . . ?
C1 Ru3 B4 B8 86.19(6) 8_575 . . . ?
C1 Ru3 B4 B8 120.91(7) . . . . ?
C1 Ru3 B4 B9 60.37(6) 8_575 . . . ?
C1 Ru3 B4 B9 95.09(8) . . . . ?
C1 Ru3 B8 B4 38.18(4) 8_575 . . 8_575 ?
C1 Ru3 B8 B4 -38.18(4) . . . . ?
C1 Ru3 B8 B4 82.02(6) . . . 8_575 ?
C1 Ru3 B8 B4 -82.02(6) 8_575 . . . ?
C1 Ru3 B8 B9 56.79(7) . . . 8_575 ?
C1 Ru3 B8 B9 -12.95(6) . . . . ?
C1 Ru3 B8 B9 12.95(6) 8_575 . . 8_575 ?
C1 Ru3 B8 B9 -56.78(7) 8_575 . . . ?
C1 Ru3 C31 O31 158.26(3) . . . . ?
C1 Ru3 C31 O31 -158.26(3) 8_575 . . . ?
C1 Ru3 C32 O32 -90.0(10) 8_575 . . . ?
C1 Ru3 C32 O32 -79.0(10) . . . . ?
C1 C3 C4 C4 7.64(9) . . . 8_575 ?
C1 B4 B5 B6 34.50(7) . . . . ?
C1 B4 B5 B9 134.85(8) . . . . ?
C1 B4 B5 B10 98.29(8) . . . . ?
C1 B4 B8 Ru3 56.16(6) . . . . ?
C1 B4 B8 B4 1.70(10) . . . 8_575 ?
C1 B4 B8 B9 -59.29(9) . . . 8_575 ?
C1 B4 B8 B9 -98.03(8) . . . . ?
C1 B4 B9 B5 -38.85(7) . . . . ?
C1 B4 B9 B8 100.74(8) . . . . ?
C1 B4 B9 B9 61.26(6) . . . 8_575 ?
C1 B4 B9 B10 -2.34(8) . . . . ?
C1 B5 B6 C1 34.83(6) . . . 8_575 ?
C1 B5 B6 B5 96.75(9) . . . 8_575 ?
C1 B5 B6 B10 134.94(8) . . . . ?
C1 B5 B9 B4 38.99(7) . . . . ?
C1 B5 B9 B8 1.39(9) . . . . ?
C1 B5 B9 B9 -62.44(6) . . . 8_575 ?
C1 B5 B9 B10 -100.35(8) . . . . ?
C1 B5 B10 B5 -2.66(12) . . . 8_575 ?
C1 B5 B10 B6 -39.69(8) . . . . ?
C1 B5 B10 B9 60.43(9) . . . 8_575 ?
C1 B5 B10 B9 98.41(8) . . . . ?
C1 B6 B10 B5 -39.16(5) 8_575 . . 8_575 ?
C1 B6 B10 B5 -98.68(8) . . . 8_575 ?
C1 B6 B10 B5 98.68(8) 8_575 . . . ?
C1 B6 B10 B5 39.16(5) . . . . ?
C1 B6 B10 B9 -61.38(7) . . . 8_575 ?
C1 B6 B10 B9 -1.86(7) 8_575 . . 8_575 ?
C1 B6 B10 B9 1.86(7) . . . . ?
C1 B6 B10 B9 61.38(7) 8_575 . . . ?
Ru3 C1 C3 C4 69.03(8) . . . . ?
Ru3 C1 B4 B5 -156.86(6) . . . . ?
Ru3 C1 B4 B8 -55.31(6) . . . . ?
Ru3 C1 B4 B9 -117.34(7) . . . . ?
Ru3 C1 B5 B4 26.24(7) . . . . ?
Ru3 C1 B5 B6 -115.56(8) . . . . ?
Ru3 C1 B5 B9 -13.12(9) . . . . ?
Ru3 C1 B5 B10 -75.84(9) . . . . ?
Ru3 C1 B6 C1 -24.93(8) . . . 8_575 ?
Ru3 C1 B6 B5 10.80(10) . . . 8_575 ?
Ru3 C1 B6 B5 113.98(7) . . . . ?
Ru3 C1 B6 B10 74.04(7) . . . . ?
Ru3 B4 B5 C1 -25.50(6) . . . . ?
Ru3 B4 B5 B6 9.00(10) . . . . ?
Ru3 B4 B5 B9 109.36(8) . . . . ?
Ru3 B4 B5 B10 72.80(9) . . . . ?
Ru3 B4 B8 B4 -54.46(7) . . . 8_575 ?
Ru3 B4 B8 B9 -115.45(6) . . . 8_575 ?
Ru3 B4 B8 B9 -154.19(6) . . . . ?
Ru3 B4 B9 B5 -111.92(7) . . . . ?
Ru3 B4 B9 B8 27.67(6) . . . . ?
Ru3 B4 B9 B9 -11.81(6) . . . 8_575 ?
Ru3 B4 B9 B10 -75.42(8) . . . . ?
Ru3 B8 B9 B4 -27.05(6) . . . . ?
Ru3 B8 B9 B5 9.88(9) . . . . ?
Ru3 B8 B9 B9 108.78(6) . . . 8_575 ?
Ru3 B8 B9 B10 74.10(8) . . . . ?
C3 C1 Ru3 C1 -113.93(5) . . . 8_575 ?
C3 C1 Ru3 B4 120.47(8) . . . . ?
C3 C1 Ru3 B4 -150.10(6) . . . 8_575 ?
C3 C1 Ru3 B8 160.92(6) . . . . ?
C3 C1 Ru3 C31 -20.01(6) . . . . ?
C3 C1 Ru3 C32 -128.81(8) . . . . ?
C3 C1 Ru3 C32 72.62(6) . . . 8_575 ?
C3 C1 B4 Ru3 -99.48(8) . . . . ?
C3 C1 B4 B5 103.66(9) . . . . ?
C3 C1 B4 B8 -154.79(8) . . . . ?
C3 C1 B4 B9 143.18(7) . . . . ?
C3 C1 B5 B4 -117.67(8) . . . . ?
C3 C1 B5 B6 100.53(9) . . . . ?
C3 C1 B5 B9 -157.03(7) . . . . ?
C3 C1 B5 B10 140.25(8) . . . . ?
C3 C1 B6 C1 112.24(6) . . . 8_575 ?
C3 C1 B6 B5 -108.85(8) . . . . ?
C3 C1 B6 B5 147.96(8) . . . 8_575 ?
C3 C1 B6 B10 -148.79(6) . . . . ?
B4 C1 Ru3 C1 125.60(4) . . . 8_575 ?
B4 C1 Ru3 B4 89.43(7) . . . 8_575 ?
B4 C1 Ru3 B8 40.45(5) . . . . ?
B4 C1 Ru3 C31 -140.48(5) . . . . ?
B4 C1 Ru3 C32 110.72(9) . . . . ?
B4 C1 Ru3 C32 -47.85(5) . . . 8_575 ?
B4 C1 C3 C4 144.85(8) . . . . ?
B4 C1 B5 B6 -141.80(7) . . . . ?
B4 C1 B5 B9 -39.36(7) . . . . ?
B4 C1 B5 B10 -102.08(8) . . . . ?
B4 C1 B6 C1 -102.49(6) . . . 8_575 ?
B4 C1 B6 B5 -66.77(8) . . . 8_575 ?
B4 C1 B6 B5 36.42(7) . . . . ?
B4 C1 B6 B10 -3.52(7) . . . . ?
B4 Ru3 B4 C1 -80.42(5) 8_575 . . . ?
B4 Ru3 B4 B5 -57.06(8) 8_575 . . . ?
B4 Ru3 B4 B8 40.49(6) 8_575 . . . ?
B4 Ru3 B4 B9 14.67(8) 8_575 . . . ?
B4 Ru3 B8 B4 120.20(9) . . . 8_575 ?
B4 Ru3 B8 B4 -120.20(9) 8_575 . . . ?
B4 Ru3 B8 B9 -25.23(5) 8_575 . . 8_575 ?
B4 Ru3 B8 B9 25.23(5) . . . . ?
B4 Ru3 B8 B9 -94.96(9) 8_575 . . . ?
B4 Ru3 B8 B9 94.97(9) . . . 8_575 ?
B4 Ru3 C31 O31 121.79(5) . . . . ?
B4 Ru3 C31 O31 -121.79(5) 8_575 . . . ?
B4 Ru3 C32 O32 -58.1(10) 8_575 . . . ?
B4 Ru3 C32 O32 5.7(11) . . . . ?
B4 B5 B6 C1 0.75(9) . . . 8_575 ?
B4 B5 B6 C1 -34.07(6) . . . . ?
B4 B5 B6 B5 62.67(11) . . . 8_575 ?
B4 B5 B6 B10 100.87(8) . . . . ?
B4 B5 B9 B8 -37.61(7) . . . . ?
B4 B5 B9 B9 -101.44(5) . . . 8_575 ?
B4 B5 B9 B10 -139.35(7) . . . . ?
B4 B5 B10 B5 -64.70(11) . . . 8_575 ?
B4 B5 B10 B6 -101.73(8) . . . . ?
B4 B5 B10 B9 36.37(7) . . . . ?
B4 B5 B10 B9 -1.61(9) . . . 8_575 ?
B4 B8 B9 B4 -97.64(9) 8_575 . . . ?
B4 B8 B9 B5 36.93(7) . . . . ?
B4 B8 B9 B5 -60.71(9) 8_575 . . . ?
B4 B8 B9 B9 38.19(5) 8_575 . . 8_575 ?
B4 B8 B9 B9 135.83(6) . . . 8_575 ?
B4 B8 B9 B10 3.51(9) 8_575 . . . ?
B4 B8 B9 B10 101.16(8) . . . . ?
B4 B9 B10 B5 62.76(9) . . . 8_575 ?
B4 B9 B10 B5 -36.68(7) . . . . ?
B4 B9 B10 B6 0.30(8) . . . . ?
B4 B9 B10 B9 100.72(6) . . . 8_575 ?
B5 C1 Ru3 C1 100.46(6) . . . 8_575 ?
B5 C1 Ru3 B4 64.29(7) . . . 8_575 ?
B5 C1 Ru3 B4 -25.14(6) . . . . ?
B5 C1 Ru3 B8 15.31(6) . . . . ?
B5 C1 Ru3 C31 -165.63(6) . . . . ?
B5 C1 Ru3 C32 85.58(10) . . . . ?
B5 C1 Ru3 C32 -72.99(7) . . . 8_575 ?
B5 C1 C3 C4 -141.95(8) . . . . ?
B5 C1 B4 Ru3 156.86(6) . . . . ?
B5 C1 B4 B8 101.55(8) . . . . ?
B5 C1 B4 B9 39.52(7) . . . . ?
B5 C1 B6 C1 -138.91(6) . . . 8_575 ?
B5 C1 B6 B5 -103.18(10) . . . 8_575 ?
B5 C1 B6 B10 -39.94(6) . . . . ?
B5 B4 B8 Ru3 117.93(6) . . . . ?
B5 B4 B8 B4 63.47(10) . . . 8_575 ?
B5 B4 B8 B9 2.48(9) . . . 8_575 ?
B5 B4 B8 B9 -36.26(6) . . . . ?
B5 B4 B9 B8 139.59(7) . . . . ?
B5 B4 B9 B9 100.11(5) . . . 8_575 ?
B5 B4 B9 B10 36.50(7) . . . . ?
B5 B6 B10 B5 137.84(10) 8_575 . . . ?
B5 B6 B10 B5 -137.84(10) . . . 8_575 ?
B5 B6 B10 B9 -37.30(6) . . . . ?
B5 B6 B10 B9 37.30(6) 8_575 . . 8_575 ?
B5 B6 B10 B9 -100.54(9) . . . 8_575 ?
B5 B6 B10 B9 100.54(9) 8_575 . . . ?
B5 B9 B10 B5 99.44(10) . . . 8_575 ?
B5 B9 B10 B6 36.98(6) . . . . ?
B5 B9 B10 B9 137.40(6) . . . 8_575 ?
B6 C1 Ru3 C1 23.44(8) . . . 8_575 ?
B6 C1 Ru3 B4 -12.73(7) . . . 8_575 ?
B6 C1 Ru3 B4 -102.15(9) . . . . ?
B6 C1 Ru3 B8 -61.71(7) . . . . ?
B6 C1 Ru3 C31 117.36(7) . . . . ?
B6 C1 Ru3 C32 8.56(12) . . . . ?
B6 C1 Ru3 C32 -150.00(7) . . . 8_575 ?
B6 C1 C3 C4 -75.06(8) . . . . ?
B6 C1 B4 Ru3 121.01(6) . . . . ?
B6 C1 B4 B5 -35.85(6) . . . . ?
B6 C1 B4 B8 65.70(8) . . . . ?
B6 C1 B4 B9 3.67(8) . . . . ?
B6 C1 B5 B4 141.80(7) . . . . ?
B6 C1 B5 B9 102.44(9) . . . . ?
B6 C1 B5 B10 39.72(8) . . . . ?
B6 B5 B9 B4 101.84(8) . . . . ?
B6 B5 B9 B8 64.23(9) . . . . ?
B6 B5 B9 B9 0.40(7) . . . 8_575 ?
B6 B5 B9 B10 -37.51(7) . . . . ?
B6 B5 B10 B5 37.03(9) . . . 8_575 ?
B6 B5 B10 B9 138.10(8) . . . . ?
B6 B5 B10 B9 100.12(8) . . . 8_575 ?
B8 Ru3 B4 C1 -120.91(7) . . . . ?
B8 Ru3 B4 B5 -97.55(8) . . . . ?
B8 Ru3 B4 B9 -25.82(6) . . . . ?
B8 Ru3 C31 O31 180.0 . . . . ?
B8 Ru3 C32 O32 -11.8(10) . . . . ?
B8 B4 B5 C1 -98.85(8) . . . . ?
B8 B4 B5 B6 -64.36(9) . . . . ?
B8 B4 B5 B9 36.00(6) . . . . ?
B8 B4 B5 B10 -0.56(9) . . . . ?
B8 B4 B9 B5 -139.59(7) . . . . ?
B8 B4 B9 B9 -39.48(5) . . . 8_575 ?
B8 B4 B9 B10 -103.08(8) . . . . ?
B8 B9 B10 B5 -3.25(10) . . . 8_575 ?
B8 B9 B10 B5 -102.69(8) . . . . ?
B8 B9 B10 B6 -65.71(8) . . . . ?
B8 B9 B10 B9 34.71(8) . . . 8_575 ?
B9 B4 B5 C1 -134.85(8) . . . . ?
B9 B4 B5 B6 -100.35(9) . . . . ?
B9 B4 B5 B10 -36.56(7) . . . . ?
B9 B4 B8 Ru3 154.19(6) . . . . ?
B9 B4 B8 B4 99.73(9) . . . 8_575 ?
B9 B4 B8 B9 38.74(7) . . . 8_575 ?
B9 B5 B6 C1 -62.58(9) . . . 8_575 ?
B9 B5 B6 C1 -97.40(8) . . . . ?
B9 B5 B6 B5 -0.66(12) . . . 8_575 ?
B9 B5 B6 B10 37.54(8) . . . . ?
B9 B5 B10 B5 -101.07(9) . . . 8_575 ?
B9 B5 B10 B6 -138.10(8) . . . . ?
B9 B5 B10 B9 -37.98(7) . . . 8_575 ?
B9 B8 B9 B4 -135.83(6) 8_575 . . . ?
B9 B8 B9 B5 -98.90(7) 8_575 . . . ?
B9 B8 B9 B10 -34.68(8) 8_575 . . . ?
B9 B9 B10 B5 -137.40(6) 8_575 . . . ?
B9 B9 B10 B5 -37.96(5) 8_575 . . 8_575 ?
B9 B9 B10 B6 -100.42(6) 8_575 . . . ?
B10 B5 B6 C1 -134.94(8) . . . . ?
B10 B5 B6 C1 -100.12(8) . . . 8_575 ?
B10 B5 B6 B5 -38.20(9) . . . 8_575 ?
B10 B5 B9 B4 139.35(7) . . . . ?
B10 B5 B9 B8 101.74(8) . . . . ?
B10 B5 B9 B9 37.91(5) . . . 8_575 ?
C31 Ru3 B4 C1 56.26(6) . . . . ?
C31 Ru3 B4 B5 79.62(8) . . . . ?
C31 Ru3 B4 B8 177.17(5) . . . . ?
C31 Ru3 B4 B9 151.35(6) . . . . ?
C31 Ru3 B8 B4 -60.10(5) . . . . ?
C31 Ru3 B8 B4 60.10(5) . . . 8_575 ?
C31 Ru3 B8 B9 -34.87(6) . . . . ?
C31 Ru3 B8 B9 34.87(6) . . . 8_575 ?
C31 Ru3 C32 O32 169.9(10) . . . . ?
C32 Ru3 B4 C1 136.70(5) 8_575 . . . ?
C32 Ru3 B4 C1 -144.88(5) . . . . ?
C32 Ru3 B4 B5 -121.52(7) . . . . ?
C32 Ru3 B4 B5 160.06(7) 8_575 . . . ?
C32 Ru3 B4 B8 -23.98(7) . . . . ?
C32 Ru3 B4 B8 -102.40(6) 8_575 . . . ?
C32 Ru3 B4 B9 -128.22(7) 8_575 . . . ?
C32 Ru3 B4 B9 -49.80(9) . . . . ?
C32 Ru3 B8 B4 -75.43(7) . . . 8_575 ?
C32 Ru3 B8 B4 164.38(5) . . . . ?
C32 Ru3 B8 B4 -164.38(5) 8_575 . . 8_575 ?
C32 Ru3 B8 B4 75.42(7) 8_575 . . . ?
C32 Ru3 B8 B9 -170.39(6) . . . . ?
C32 Ru3 B8 B9 -100.66(8) . . . 8_575 ?
C32 Ru3 B8 B9 170.39(6) 8_575 . . 8_575 ?
C32 Ru3 B8 B9 100.66(8) 8_575 . . . ?
C32 Ru3 C31 O31 44.40(4) 8_575 . . . ?
C32 Ru3 C31 O31 -44.40(4) . . . . ?
C32 Ru3 C32 O32 81.5(10) 8_575 . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5109
_database_code_depnum_ccdc_archive 'CCDC 1479547'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-06-07 downloaded from the CCDC.
;
_audit_creation_date             2014-09-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.08.28 svn.r2986 for OlexSys, GUI svn.r4874)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C8 H15 B9 O2 Ru'
_chemical_formula_sum            'C8 H15 B9 O2 Ru'
_chemical_formula_weight         341.56
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z'

_cell_length_a                   7.1484(12)
_cell_length_b                   11.290(2)
_cell_length_c                   8.5139(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.390(7)
_cell_angle_gamma                90.00
_cell_volume                     684.1(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9894
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      37.26
_cell_measurement_theta_min      3.005
_exptl_absorpt_coefficient_mu    1.130
_exptl_absorpt_correction_T_max  0.7474
_exptl_absorpt_correction_T_min  0.6920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0439 before and 0.0384 after correction.
The Ratio of minimum to maximum transmission is 0.9259.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             336
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.14
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            24496
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         37.56
_diffrn_reflns_theta_min         2.86
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_number         0
_reflns_number_gt                6337
_reflns_number_total             6497
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2013)'
_refine_diff_density_max         0.312
_refine_diff_density_min         -0.633
_refine_diff_density_rms         0.065
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.015(13)
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         6497
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0167
_refine_ls_R_factor_gt           0.0160
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0169P)²+0.0159P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0347
_refine_ls_wR_factor_ref         0.0349
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C4(H4), C5(H5)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C6(H6A,H6B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
C1 C 0.16334(13) 0.75991(9) 0.77574(11) 0.01037(16) Uani 1 d . . .
C2 C 0.39418(12) 0.72083(15) 0.79263(10) 0.00984(17) Uani 1 d . . .
Ru3 Ru 0.266329(8) 0.711720(3) 0.547635(6) 0.00832(2) Uani 1 d . . .
C3 C 0.52441(15) 0.82581(10) 0.76738(12) 0.01272(17) Uani 1 d . . .
H3A H 0.5238 0.8837 0.8546 0.015 Uiso 1 calc . . R
H3B H 0.6549 0.7988 0.7593 0.015 Uiso 1 calc . . R
C4 C 0.43979(15) 0.87943(10) 0.61153(13) 0.01310(17) Uani 1 d . . .
H4 H 0.5249 0.9117 0.5351 0.016 Uiso 1 calc . . R
B4 B 0.02473(16) 0.65041(11) 0.68279(13) 0.01149(18) Uani 1 d . . .
H4A H -0.118(2) 0.6765(13) 0.6231(17) 0.014 Uiso 1 d . . R
C5 C 0.24954(16) 0.91194(10) 0.59748(14) 0.01304(17) Uani 1 d . . .
H5 H 0.2008 0.9668 0.5109 0.016 Uiso 1 calc . . R
B5 B 0.03851(16) 0.67498(11) 0.89254(13) 0.01272(19) Uani 1 d . . .
H5A H -0.0812(17) 0.718(2) 0.9436(15) 0.015 Uiso 1 d . . R
C6 C 0.13511(15) 0.89249(10) 0.73864(12) 0.01271(17) Uani 1 d . . .
H6A H 0.0007 0.9110 0.7108 0.015 Uiso 1 calc . . R
H6B H 0.1833 0.9420 0.8295 0.015 Uiso 1 calc . . R
B6 B 0.27139(15) 0.72199(19) 0.95876(11) 0.0120(2) Uani 1 d . . .
H6 H 0.302(2) 0.7944(16) 1.0362(17) 0.014 Uiso 1 d . . R
B7 B 0.42523(16) 0.58113(10) 0.71178(13) 0.01055(18) Uani 1 d . . .
H7 H 0.552(2) 0.5596(14) 0.6732(18) 0.013 Uiso 1 d . . R
B8 B 0.18743(17) 0.52901(11) 0.64155(14) 0.01109(18) Uani 1 d . . .
H8 H 0.160(2) 0.4641(14) 0.5519(18) 0.013 Uiso 1 d . . R
B9 B 0.05495(17) 0.52733(11) 0.81321(14) 0.01313(19) Uani 1 d . . .
H9 H -0.066(2) 0.4617(14) 0.8265(19) 0.016 Uiso 1 d . . R
B10 B 0.20622(17) 0.57139(11) 0.98422(14) 0.01306(19) Uani 1 d . . .
H10 H 0.198(2) 0.5423(15) 1.1004(18) 0.016 Uiso 1 d . . R
B11 B 0.43337(16) 0.60642(11) 0.92145(13) 0.01193(19) Uani 1 d . . .
H11 H 0.559(2) 0.6026(14) 0.9978(18) 0.014 Uiso 1 d . . R
B12 B 0.29964(17) 0.48520(11) 0.83156(14) 0.01268(19) Uani 1 d . . .
H12 H 0.347(2) 0.3934(15) 0.8530(18) 0.015 Uiso 1 d . . R
O31 O 0.55824(12) 0.65472(9) 0.31531(10) 0.01906(16) Uani 1 d . . .
C31 C 0.44764(14) 0.67687(10) 0.40007(12) 0.01256(17) Uani 1 d . . .
O32 O -0.04410(10) 0.71859(14) 0.27421(8) 0.01935(15) Uani 1 d . . .
C32 C 0.07493(13) 0.72190(15) 0.37313(11) 0.0130(2) Uani 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
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
C1 C2 1.7011(13) . ?
C1 Ru3 2.2086(10) . ?
C1 B4 1.7289(15) . ?
C1 B5 1.6945(16) . ?
C1 C6 1.5392(15) . ?
C1 B6 1.7268(15) . ?
C2 Ru3 2.1996(9) . ?
C2 C3 1.5347(18) . ?
C2 B6 1.7334(13) . ?
C2 B7 1.743(2) . ?
C2 B11 1.7006(18) . ?
Ru3 C4 2.3005(11) . ?
Ru3 B4 2.2714(12) . ?
Ru3 C5 2.3052(11) . ?
Ru3 B7 2.2625(12) . ?
Ru3 B8 2.3016(13) . ?
Ru3 C31 1.9285(11) . ?
Ru3 C32 1.9263(9) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.5304(15) . ?
C4 H4 1.0000 . ?
C4 C5 1.4029(16) . ?
B4 H4A 1.138(14) . ?
B4 B5 1.8007(16) . ?
B4 B8 1.8524(18) . ?
B4 B9 1.7792(17) . ?
C5 H5 1.0000 . ?
C5 C6 1.5318(17) . ?
B5 H5A 1.109(15) . ?
B5 B6 1.7873(16) . ?
B5 B9 1.8065(18) . ?
B5 B10 1.7996(17) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
B6 H6 1.060(16) . ?
B6 B10 1.782(2) . ?
B6 B11 1.793(2) . ?
B7 H7 1.024(15) . ?
B7 B8 1.8446(16) . ?
B7 B11 1.8034(16) . ?
B7 B12 1.7863(17) . ?
B8 H8 1.063(16) . ?
B8 B9 1.8147(17) . ?
B8 B12 1.8059(17) . ?
B9 H9 1.154(16) . ?
B9 B10 1.8002(17) . ?
B9 B12 1.8053(17) . ?
B10 H10 1.049(16) . ?
B10 B11 1.8005(17) . ?
B10 B12 1.8015(18) . ?
B11 H11 1.059(15) . ?
B11 B12 1.7987(18) . ?
B12 H12 1.100(16) . ?
O31 C31 1.1470(13) . ?
O32 C32 1.1402(11) . ?

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
C2 C1 Ru3 67.02(4) . . ?
C2 C1 B4 111.28(9) . . ?
C2 C1 B6 60.74(6) . . ?
B4 C1 Ru3 69.23(5) . . ?
B5 C1 C2 111.33(8) . . ?
B5 C1 Ru3 127.88(7) . . ?
B5 C1 B4 63.46(7) . . ?
B5 C1 B6 62.98(7) . . ?
C6 C1 C2 112.15(9) . . ?
C6 C1 Ru3 96.16(6) . . ?
C6 C1 B4 122.89(8) . . ?
C6 C1 B5 127.20(9) . . ?
C6 C1 B6 117.72(10) . . ?
B6 C1 Ru3 125.07(7) . . ?
B6 C1 B4 115.11(10) . . ?
C1 C2 Ru3 67.58(4) . . ?
C1 C2 B6 60.36(6) . . ?
C1 C2 B7 111.08(8) . . ?
C3 C2 C1 112.59(11) . . ?
C3 C2 Ru3 96.13(6) . . ?
C3 C2 B6 117.96(11) . . ?
C3 C2 B7 122.82(8) . . ?
C3 C2 B11 127.70(8) . . ?
B6 C2 Ru3 125.24(6) . . ?
B6 C2 B7 114.96(12) . . ?
B7 C2 Ru3 68.92(5) . . ?
B11 C2 C1 110.56(8) . . ?
B11 C2 Ru3 127.20(9) . . ?
B11 C2 B6 62.93(9) . . ?
B11 C2 B7 63.14(8) . . ?
C1 Ru3 C4 78.82(4) . . ?
C1 Ru3 B4 45.37(4) . . ?
C1 Ru3 C5 64.48(4) . . ?
C1 Ru3 B7 78.87(4) . . ?
C1 Ru3 B8 78.61(4) . . ?
C2 Ru3 C1 45.40(4) . . ?
C2 Ru3 C4 64.57(5) . . ?
C2 Ru3 B4 78.57(4) . . ?
C2 Ru3 C5 78.68(5) . . ?
C2 Ru3 B7 45.97(5) . . ?
C2 Ru3 B8 78.81(5) . . ?
C4 Ru3 C5 35.47(4) . . ?
C4 Ru3 B8 143.11(4) . . ?
B4 Ru3 C4 123.34(4) . . ?
B4 Ru3 C5 98.65(4) . . ?
B4 Ru3 B8 47.78(4) . . ?
B7 Ru3 C4 99.33(4) . . ?
B7 Ru3 B4 81.37(4) . . ?
B7 Ru3 C5 123.86(4) . . ?
B7 Ru3 B8 47.67(4) . . ?
B8 Ru3 C5 142.77(5) . . ?
C31 Ru3 C1 157.37(4) . . ?
C31 Ru3 C2 112.49(4) . . ?
C31 Ru3 C4 86.66(4) . . ?
C31 Ru3 B4 149.02(5) . . ?
C31 Ru3 C5 111.71(4) . . ?
C31 Ru3 B7 86.58(4) . . ?
C31 Ru3 B8 104.19(5) . . ?
C32 Ru3 C1 113.09(4) . . ?
C32 Ru3 C2 158.49(4) . . ?
C32 Ru3 C4 117.47(6) . . ?
C32 Ru3 B4 83.69(4) . . ?
C32 Ru3 C5 92.18(6) . . ?
C32 Ru3 B7 142.59(6) . . ?
C32 Ru3 B8 98.16(6) . . ?
C32 Ru3 C31 88.96(4) . . ?
C2 C3 H3A 111.1 . . ?
C2 C3 H3B 111.1 . . ?
H3A C3 H3B 109.1 . . ?
C4 C3 C2 103.38(8) . . ?
C4 C3 H3A 111.1 . . ?
C4 C3 H3B 111.1 . . ?
Ru3 C4 H4 119.5 . . ?
C3 C4 Ru3 92.28(6) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 Ru3 72.45(6) . . ?
C5 C4 C3 118.59(10) . . ?
C5 C4 H4 119.5 . . ?
C1 B4 Ru3 65.39(5) . . ?
C1 B4 H4A 118.2(7) . . ?
C1 B4 B5 57.34(6) . . ?
C1 B4 B8 105.83(7) . . ?
C1 B4 B9 104.01(8) . . ?
Ru3 B4 H4A 112.9(7) . . ?
B5 B4 Ru3 118.82(7) . . ?
B5 B4 H4A 111.5(7) . . ?
B5 B4 B8 108.97(8) . . ?
B8 B4 Ru3 66.96(5) . . ?
B8 B4 H4A 131.4(7) . . ?
B9 B4 Ru3 120.04(7) . . ?
B9 B4 H4A 122.2(7) . . ?
B9 B4 B5 60.61(7) . . ?
B9 B4 B8 59.92(7) . . ?
Ru3 C5 H5 119.5 . . ?
C4 C5 Ru3 72.08(6) . . ?
C4 C5 H5 119.5 . . ?
C4 C5 C6 118.72(9) . . ?
C6 C5 Ru3 92.57(7) . . ?
C6 C5 H5 119.5 . . ?
C1 B5 B4 59.20(6) . . ?
C1 B5 H5A 116.7(11) . . ?
C1 B5 B6 59.39(7) . . ?
C1 B5 B9 104.27(8) . . ?
C1 B5 B10 104.85(8) . . ?
B4 B5 H5A 119.0(7) . . ?
B4 B5 B9 59.11(7) . . ?
B6 B5 B4 108.73(8) . . ?
B6 B5 H5A 118.4(9) . . ?
B6 B5 B9 107.50(10) . . ?
B6 B5 B10 59.56(9) . . ?
B9 B5 H5A 129.3(11) . . ?
B10 B5 B4 107.59(9) . . ?
B10 B5 H5A 128.6(8) . . ?
B10 B5 B9 59.90(7) . . ?
C1 C6 H6A 111.1 . . ?
C1 C6 H6B 111.1 . . ?
C5 C6 C1 103.36(8) . . ?
C5 C6 H6A 111.1 . . ?
C5 C6 H6B 111.1 . . ?
H6A C6 H6B 109.1 . . ?
C1 B6 C2 58.89(6) . . ?
C1 B6 B5 57.63(6) . . ?
C1 B6 H6 114.7(9) . . ?
C1 B6 B10 104.27(9) . . ?
C1 B6 B11 105.20(8) . . ?
C2 B6 B5 105.57(7) . . ?
C2 B6 H6 115.0(9) . . ?
C2 B6 B10 104.49(12) . . ?
C2 B6 B11 57.64(8) . . ?
B5 B6 H6 123.8(9) . . ?
B5 B6 B11 109.02(12) . . ?
B10 B6 B5 60.56(8) . . ?
B10 B6 H6 134.5(9) . . ?
B10 B6 B11 60.49(9) . . ?
B11 B6 H6 125.0(9) . . ?
C2 B7 Ru3 65.11(5) . . ?
C2 B7 H7 119.4(9) . . ?
C2 B7 B8 105.60(8) . . ?
C2 B7 B11 57.27(6) . . ?
C2 B7 B12 103.51(8) . . ?
Ru3 B7 H7 111.5(9) . . ?
B8 B7 Ru3 67.28(5) . . ?
B8 B7 H7 129.7(9) . . ?
B11 B7 Ru3 118.42(7) . . ?
B11 B7 H7 114.1(9) . . ?
B11 B7 B8 108.33(8) . . ?
B12 B7 Ru3 119.85(7) . . ?
B12 B7 H7 123.2(9) . . ?
B12 B7 B8 59.63(7) . . ?
B12 B7 B11 60.14(7) . . ?
Ru3 B8 H8 113.7(9) . . ?
B4 B8 Ru3 65.25(5) . . ?
B4 B8 H8 124.8(9) . . ?
B7 B8 Ru3 65.06(5) . . ?
B7 B8 B4 106.17(8) . . ?
B7 B8 H8 123.6(9) . . ?
B9 B8 Ru3 116.91(7) . . ?
B9 B8 B4 58.04(7) . . ?
B9 B8 B7 106.08(8) . . ?
B9 B8 H8 119.8(9) . . ?
B12 B8 Ru3 117.00(7) . . ?
B12 B8 B4 105.48(8) . . ?
B12 B8 B7 58.58(6) . . ?
B12 B8 H8 119.4(8) . . ?
B12 B8 B9 59.82(7) . . ?
B4 B9 B5 60.28(7) . . ?
B4 B9 B8 62.04(7) . . ?
B4 B9 H9 121.0(8) . . ?
B4 B9 B10 108.51(9) . . ?
B4 B9 B12 108.64(8) . . ?
B5 B9 B8 110.40(8) . . ?
B5 B9 H9 118.7(8) . . ?
B8 B9 H9 122.6(8) . . ?
B10 B9 B5 59.86(7) . . ?
B10 B9 B8 109.22(8) . . ?
B10 B9 H9 119.8(8) . . ?
B10 B9 B12 59.95(7) . . ?
B12 B9 B5 107.90(8) . . ?
B12 B9 B8 59.85(6) . . ?
B12 B9 H9 123.6(8) . . ?
B5 B10 B9 60.24(7) . . ?
B5 B10 H10 121.2(9) . . ?
B5 B10 B11 108.13(8) . . ?
B5 B10 B12 108.37(8) . . ?
B6 B10 B5 59.88(7) . . ?
B6 B10 B9 108.02(8) . . ?
B6 B10 H10 116.9(9) . . ?
B6 B10 B11 60.05(7) . . ?
B6 B10 B12 107.99(9) . . ?
B9 B10 H10 126.4(9) . . ?
B9 B10 B11 108.09(8) . . ?
B9 B10 B12 60.16(7) . . ?
B11 B10 H10 118.8(9) . . ?
B11 B10 B12 59.92(7) . . ?
B12 B10 H10 124.6(9) . . ?
C2 B11 B6 59.43(7) . . ?
C2 B11 B7 59.59(7) . . ?
C2 B11 B10 105.06(8) . . ?
C2 B11 H11 120.4(9) . . ?
C2 B11 B12 104.76(8) . . ?
B6 B11 B7 109.23(8) . . ?
B6 B11 B10 59.45(7) . . ?
B6 B11 H11 116.4(9) . . ?
B6 B11 B12 107.64(9) . . ?
B7 B11 H11 123.2(8) . . ?
B10 B11 B7 108.23(8) . . ?
B10 B11 H11 123.0(8) . . ?
B12 B11 B7 59.46(6) . . ?
B12 B11 B10 60.07(7) . . ?
B12 B11 H11 128.1(9) . . ?
B7 B12 B8 61.79(7) . . ?
B7 B12 B9 109.00(8) . . ?
B7 B12 B10 108.94(9) . . ?
B7 B12 B11 60.40(7) . . ?
B7 B12 H12 120.1(8) . . ?
B8 B12 H12 120.7(8) . . ?
B9 B12 B8 60.33(7) . . ?
B9 B12 H12 123.0(8) . . ?
B10 B12 B8 109.56(8) . . ?
B10 B12 B9 59.88(7) . . ?
B10 B12 H12 121.2(8) . . ?
B11 B12 B8 110.26(8) . . ?
B11 B12 B9 107.95(8) . . ?
B11 B12 B10 60.01(7) . . ?
B11 B12 H12 120.2(8) . . ?
O31 C31 Ru3 178.27(9) . . ?
O32 C32 Ru3 173.96(15) . . ?

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
C1 C2 Ru3 C4 99.64(7) . . . . ?
C1 C2 Ru3 B4 -36.18(6) . . . . ?
C1 C2 Ru3 C5 65.18(6) . . . . ?
C1 C2 Ru3 B7 -125.18(8) . . . . ?
C1 C2 Ru3 B8 -84.97(6) . . . . ?
C1 C2 Ru3 C31 174.17(6) . . . . ?
C1 C2 Ru3 C32 -1.1(2) . . . . ?
C1 C2 C3 C4 -50.93(10) . . . . ?
C1 C2 B6 B5 35.19(10) . . . . ?
C1 C2 B6 B10 98.13(8) . . . . ?
C1 C2 B6 B11 138.13(10) . . . . ?
C1 C2 B7 Ru3 54.08(6) . . . . ?
C1 C2 B7 B8 -1.06(10) . . . . ?
C1 C2 B7 B11 -103.10(9) . . . . ?
C1 C2 B7 B12 -62.84(9) . . . . ?
C1 C2 B11 B6 -38.28(8) . . . . ?
C1 C2 B11 B7 103.93(9) . . . . ?
C1 C2 B11 B10 1.35(11) . . . . ?
C1 C2 B11 B12 63.74(10) . . . . ?
C1 Ru3 C4 C3 57.97(6) . . . . ?
C1 Ru3 C4 C5 -61.35(7) . . . . ?
C1 Ru3 B4 B5 -21.65(7) . . . . ?
C1 Ru3 B4 B8 -121.39(7) . . . . ?
C1 Ru3 B4 B9 -92.45(9) . . . . ?
C1 Ru3 C5 C4 107.45(7) . . . . ?
C1 Ru3 C5 C6 -11.96(6) . . . . ?
C1 Ru3 B7 C2 -36.38(5) . . . . ?
C1 Ru3 B7 B8 84.66(6) . . . . ?
C1 Ru3 B7 B11 -14.60(7) . . . . ?
C1 Ru3 B7 B12 55.39(8) . . . . ?
C1 Ru3 B8 B4 38.30(5) . . . . ?
C1 Ru3 B8 B7 -85.24(6) . . . . ?
C1 Ru3 B8 B9 10.88(7) . . . . ?
C1 Ru3 B8 B12 -57.15(8) . . . . ?
C1 Ru3 C31 O31 37(3) . . . . ?
C1 Ru3 C32 O32 -78.3(10) . . . . ?
C1 B4 B5 B6 -34.10(10) . . . . ?
C1 B4 B5 B9 -133.71(8) . . . . ?
C1 B4 B5 B10 -97.12(9) . . . . ?
C1 B4 B8 Ru3 -53.78(6) . . . . ?
C1 B4 B8 B7 -1.89(10) . . . . ?
C1 B4 B8 B9 97.27(8) . . . . ?
C1 B4 B8 B12 59.24(10) . . . . ?
C1 B4 B9 B5 38.84(7) . . . . ?
C1 B4 B9 B8 -100.40(8) . . . . ?
C1 B4 B9 B10 2.04(10) . . . . ?
C1 B4 B9 B12 -61.58(10) . . . . ?
C1 B5 B6 C2 -35.75(10) . . . . ?
C1 B5 B6 B10 -133.86(9) . . . . ?
C1 B5 B6 B11 -96.30(8) . . . . ?
C1 B5 B9 B4 -39.84(7) . . . . ?
C1 B5 B9 B8 -1.86(10) . . . . ?
C1 B5 B9 B10 99.10(8) . . . . ?
C1 B5 B9 B12 61.85(9) . . . . ?
C1 B5 B10 B6 39.94(7) . . . . ?
C1 B5 B10 B9 -98.10(8) . . . . ?
C1 B5 B10 B11 2.81(11) . . . . ?
C1 B5 B10 B12 -60.64(10) . . . . ?
C1 B6 B10 B5 -38.93(7) . . . . ?
C1 B6 B10 B9 -1.32(11) . . . . ?
C1 B6 B10 B11 99.61(8) . . . . ?
C1 B6 B10 B12 62.29(10) . . . . ?
C1 B6 B11 C2 36.31(8) . . . . ?
C1 B6 B11 B7 2.27(12) . . . . ?
C1 B6 B11 B10 -98.03(10) . . . . ?
C1 B6 B11 B12 -60.74(11) . . . . ?
C2 C1 Ru3 C4 -65.17(7) . . . . ?
C2 C1 Ru3 B4 125.62(9) . . . . ?
C2 C1 Ru3 C5 -99.52(7) . . . . ?
C2 C1 Ru3 B7 36.79(7) . . . . ?
C2 C1 Ru3 B8 85.45(7) . . . . ?
C2 C1 Ru3 C31 -14.13(13) . . . . ?
C2 C1 Ru3 C32 179.55(8) . . . . ?
C2 C1 B4 Ru3 -53.43(6) . . . . ?
C2 C1 B4 B5 103.99(9) . . . . ?
C2 C1 B4 B8 1.31(10) . . . . ?
C2 C1 B4 B9 63.52(10) . . . . ?
C2 C1 B5 B4 -103.91(9) . . . . ?
C2 C1 B5 B6 38.00(10) . . . . ?
C2 C1 B5 B9 -64.12(10) . . . . ?
C2 C1 B5 B10 -2.03(11) . . . . ?
C2 C1 C6 C5 50.86(10) . . . . ?
C2 C1 B6 B5 -138.90(12) . . . . ?
C2 C1 B6 B10 -98.52(11) . . . . ?
C2 C1 B6 B11 -35.75(9) . . . . ?
C2 Ru3 C4 C3 12.28(6) . . . . ?
C2 Ru3 C4 C5 -107.04(8) . . . . ?
C2 Ru3 B4 C1 36.19(6) . . . . ?
C2 Ru3 B4 B5 14.55(9) . . . . ?
C2 Ru3 B4 B8 -85.19(6) . . . . ?
C2 Ru3 B4 B9 -56.25(9) . . . . ?
C2 Ru3 C5 C4 61.71(6) . . . . ?
C2 Ru3 C5 C6 -57.69(6) . . . . ?
C2 Ru3 B7 B8 121.04(7) . . . . ?
C2 Ru3 B7 B11 21.78(6) . . . . ?
C2 Ru3 B7 B12 91.77(9) . . . . ?
C2 Ru3 B8 B4 84.64(5) . . . . ?
C2 Ru3 B8 B7 -38.90(5) . . . . ?
C2 Ru3 B8 B9 57.22(7) . . . . ?
C2 Ru3 B8 B12 -10.81(8) . . . . ?
C2 Ru3 C31 O31 26(3) . . . . ?
C2 Ru3 C32 O32 -77.4(11) . . . . ?
C2 C3 C4 Ru3 -16.44(8) . . . . ?
C2 C3 C4 C5 54.78(13) . . . . ?
C2 B6 B10 B5 -99.93(7) . . . . ?
C2 B6 B10 B9 -62.31(10) . . . . ?
C2 B6 B10 B11 38.61(7) . . . . ?
C2 B6 B10 B12 1.30(10) . . . . ?
C2 B6 B11 B7 -34.04(8) . . . . ?
C2 B6 B11 B10 -134.34(8) . . . . ?
C2 B6 B11 B12 -97.05(9) . . . . ?
C2 B7 B8 Ru3 53.80(6) . . . . ?
C2 B7 B8 B4 1.79(10) . . . . ?
C2 B7 B8 B9 -58.87(10) . . . . ?
C2 B7 B8 B12 -96.75(8) . . . . ?
C2 B7 B11 B6 33.97(8) . . . . ?
C2 B7 B11 B10 97.11(8) . . . . ?
C2 B7 B11 B12 133.57(8) . . . . ?
C2 B7 B12 B8 100.35(8) . . . . ?
C2 B7 B12 B9 61.50(9) . . . . ?
C2 B7 B12 B10 -2.21(10) . . . . ?
C2 B7 B12 B11 -38.82(7) . . . . ?
C2 B11 B12 B7 40.25(7) . . . . ?
C2 B11 B12 B8 2.37(11) . . . . ?
C2 B11 B12 B9 -61.85(10) . . . . ?
C2 B11 B12 B10 -99.11(8) . . . . ?
Ru3 C1 C2 C3 87.33(7) . . . . ?
Ru3 C1 C2 B6 -162.34(11) . . . . ?
Ru3 C1 C2 B7 -54.82(6) . . . . ?
Ru3 C1 C2 B11 -122.95(9) . . . . ?
Ru3 C1 B4 B5 157.43(7) . . . . ?
Ru3 C1 B4 B8 54.74(6) . . . . ?
Ru3 C1 B4 B9 116.95(7) . . . . ?
Ru3 C1 B5 B4 -27.05(8) . . . . ?
Ru3 C1 B5 B6 114.86(10) . . . . ?
Ru3 C1 B5 B9 12.74(11) . . . . ?
Ru3 C1 B5 B10 74.84(9) . . . . ?
Ru3 C1 C6 C5 -16.81(8) . . . . ?
Ru3 C1 B6 C2 19.95(11) . . . . ?
Ru3 C1 B6 B5 -118.95(9) . . . . ?
Ru3 C1 B6 B10 -78.57(9) . . . . ?
Ru3 C1 B6 B11 -15.80(14) . . . . ?
Ru3 C2 C3 C4 17.31(9) . . . . ?
Ru3 C2 B6 C1 -20.08(12) . . . . ?
Ru3 C2 B6 B5 15.11(19) . . . . ?
Ru3 C2 B6 B10 78.05(14) . . . . ?
Ru3 C2 B6 B11 118.05(13) . . . . ?
Ru3 C2 B7 B8 -55.14(6) . . . . ?
Ru3 C2 B7 B11 -157.18(6) . . . . ?
Ru3 C2 B7 B12 -116.92(7) . . . . ?
Ru3 C2 B11 B6 -115.19(8) . . . . ?
Ru3 C2 B11 B7 27.02(7) . . . . ?
Ru3 C2 B11 B10 -75.56(9) . . . . ?
Ru3 C2 B11 B12 -13.16(11) . . . . ?
Ru3 C4 C5 C6 82.91(9) . . . . ?
Ru3 B4 B5 C1 23.48(7) . . . . ?
Ru3 B4 B5 B6 -10.62(13) . . . . ?
Ru3 B4 B5 B9 -110.24(8) . . . . ?
Ru3 B4 B5 B10 -73.65(10) . . . . ?
Ru3 B4 B8 B7 51.89(6) . . . . ?
Ru3 B4 B8 B9 151.05(7) . . . . ?
Ru3 B4 B8 B12 113.02(7) . . . . ?
Ru3 B4 B9 B5 108.27(8) . . . . ?
Ru3 B4 B9 B8 -30.97(7) . . . . ?
Ru3 B4 B9 B10 71.47(10) . . . . ?
Ru3 B4 B9 B12 7.84(11) . . . . ?
Ru3 C5 C6 C1 16.00(7) . . . . ?
Ru3 B7 B8 B4 -52.01(6) . . . . ?
Ru3 B7 B8 B9 -112.67(7) . . . . ?
Ru3 B7 B8 B12 -150.55(7) . . . . ?
Ru3 B7 B11 C2 -23.58(7) . . . . ?
Ru3 B7 B11 B6 10.39(11) . . . . ?
Ru3 B7 B11 B10 73.53(10) . . . . ?
Ru3 B7 B11 B12 109.99(8) . . . . ?
Ru3 B7 B12 B8 31.52(8) . . . . ?
Ru3 B7 B12 B9 -7.33(11) . . . . ?
Ru3 B7 B12 B10 -71.04(10) . . . . ?
Ru3 B7 B12 B11 -107.65(8) . . . . ?
Ru3 B8 B9 B4 29.54(7) . . . . ?
Ru3 B8 B9 B5 -7.69(10) . . . . ?
Ru3 B8 B9 B10 -71.74(10) . . . . ?
Ru3 B8 B9 B12 -107.08(8) . . . . ?
Ru3 B8 B12 B7 -30.02(7) . . . . ?
Ru3 B8 B12 B9 106.94(8) . . . . ?
Ru3 B8 B12 B10 71.54(10) . . . . ?
Ru3 B8 B12 B11 7.28(11) . . . . ?
C3 C2 Ru3 C1 -111.95(11) . . . . ?
C3 C2 Ru3 C4 -12.31(6) . . . . ?
C3 C2 Ru3 B4 -148.12(8) . . . . ?
C3 C2 Ru3 C5 -46.77(7) . . . . ?
C3 C2 Ru3 B7 122.88(8) . . . . ?
C3 C2 Ru3 B8 163.09(8) . . . . ?
C3 C2 Ru3 C31 62.22(9) . . . . ?
C3 C2 Ru3 C32 -113.06(16) . . . . ?
C3 C2 B6 C1 101.45(11) . . . . ?
C3 C2 B6 B5 136.64(11) . . . . ?
C3 C2 B6 B10 -160.42(9) . . . . ?
C3 C2 B6 B11 -120.42(10) . . . . ?
C3 C2 B7 Ru3 -83.54(8) . . . . ?
C3 C2 B7 B8 -138.68(9) . . . . ?
C3 C2 B7 B11 119.28(10) . . . . ?
C3 C2 B7 B12 159.54(8) . . . . ?
C3 C2 B11 B6 105.68(13) . . . . ?
C3 C2 B11 B7 -112.11(11) . . . . ?
C3 C2 B11 B10 145.31(10) . . . . ?
C3 C2 B11 B12 -152.30(11) . . . . ?
C3 C4 C5 Ru3 -82.83(9) . . . . ?
C3 C4 C5 C6 0.08(15) . . . . ?
C4 Ru3 B4 C1 -12.70(7) . . . . ?
C4 Ru3 B4 B5 -34.35(10) . . . . ?
C4 Ru3 B4 B8 -134.09(5) . . . . ?
C4 Ru3 B4 B9 -105.15(8) . . . . ?
C4 Ru3 C5 C6 -119.40(9) . . . . ?
C4 Ru3 B7 C2 40.17(5) . . . . ?
C4 Ru3 B7 B8 161.21(6) . . . . ?
C4 Ru3 B7 B11 61.95(8) . . . . ?
C4 Ru3 B7 B12 131.94(8) . . . . ?
C4 Ru3 B8 B4 91.58(8) . . . . ?
C4 Ru3 B8 B7 -31.96(9) . . . . ?
C4 Ru3 B8 B9 64.15(10) . . . . ?
C4 Ru3 B8 B12 -3.87(12) . . . . ?
C4 Ru3 C31 O31 87(3) . . . . ?
C4 Ru3 C32 O32 -167.3(10) . . . . ?
C4 C5 C6 C1 -54.93(12) . . . . ?
B4 C1 C2 Ru3 54.66(7) . . . . ?
B4 C1 C2 C3 141.99(8) . . . . ?
B4 C1 C2 B6 -107.68(11) . . . . ?
B4 C1 C2 B7 -0.16(11) . . . . ?
B4 C1 C2 B11 -68.29(10) . . . . ?
B4 C1 Ru3 C2 -125.62(9) . . . . ?
B4 C1 Ru3 C4 169.21(6) . . . . ?
B4 C1 Ru3 C5 134.86(6) . . . . ?
B4 C1 Ru3 B7 -88.82(6) . . . . ?
B4 C1 Ru3 B8 -40.16(6) . . . . ?
B4 C1 Ru3 C31 -139.74(10) . . . . ?
B4 C1 Ru3 C32 53.94(8) . . . . ?
B4 C1 B5 B6 141.91(10) . . . . ?
B4 C1 B5 B9 39.79(7) . . . . ?
B4 C1 B5 B10 101.89(9) . . . . ?
B4 C1 C6 C5 -86.02(11) . . . . ?
B4 C1 B6 C2 101.35(10) . . . . ?
B4 C1 B6 B5 -37.55(9) . . . . ?
B4 C1 B6 B10 2.83(11) . . . . ?
B4 C1 B6 B11 65.61(10) . . . . ?
B4 Ru3 C4 C3 67.15(8) . . . . ?
B4 Ru3 C4 C5 -52.17(8) . . . . ?
B4 Ru3 C5 C4 138.13(7) . . . . ?
B4 Ru3 C5 C6 18.73(7) . . . . ?
B4 Ru3 B7 C2 -82.41(5) . . . . ?
B4 Ru3 B7 B8 38.64(6) . . . . ?
B4 Ru3 B7 B11 -60.63(8) . . . . ?
B4 Ru3 B7 B12 9.36(8) . . . . ?
B4 Ru3 B8 B7 -123.54(7) . . . . ?
B4 Ru3 B8 B9 -27.42(7) . . . . ?
B4 Ru3 B8 B12 -95.45(9) . . . . ?
B4 Ru3 C31 O31 -80(3) . . . . ?
B4 Ru3 C32 O32 -42.9(10) . . . . ?
B4 B5 B6 C1 34.02(9) . . . . ?
B4 B5 B6 C2 -1.73(16) . . . . ?
B4 B5 B6 B10 -99.84(9) . . . . ?
B4 B5 B6 B11 -62.28(12) . . . . ?
B4 B5 B9 B8 37.98(8) . . . . ?
B4 B5 B9 B10 138.94(8) . . . . ?
B4 B5 B9 B12 101.68(9) . . . . ?
B4 B5 B10 B6 101.80(9) . . . . ?
B4 B5 B10 B9 -36.25(8) . . . . ?
B4 B5 B10 B11 64.66(10) . . . . ?
B4 B5 B10 B12 1.22(11) . . . . ?
B4 B8 B9 B5 -37.23(8) . . . . ?
B4 B8 B9 B10 -101.28(9) . . . . ?
B4 B8 B9 B12 -136.62(9) . . . . ?
B4 B8 B12 B7 -99.75(8) . . . . ?
B4 B8 B12 B9 37.20(8) . . . . ?
B4 B8 B12 B10 1.80(11) . . . . ?
B4 B8 B12 B11 -62.46(10) . . . . ?
B4 B9 B10 B5 36.98(8) . . . . ?
B4 B9 B10 B6 -0.47(11) . . . . ?
B4 B9 B10 B11 -63.98(10) . . . . ?
B4 B9 B10 B12 -101.29(9) . . . . ?
B4 B9 B12 B7 -0.31(11) . . . . ?
B4 B9 B12 B8 -39.81(8) . . . . ?
B4 B9 B12 B10 101.06(9) . . . . ?
B4 B9 B12 B11 63.74(10) . . . . ?
C5 Ru3 C4 C3 119.32(10) . . . . ?
C5 Ru3 B4 C1 -40.32(5) . . . . ?
C5 Ru3 B4 B5 -61.96(8) . . . . ?
C5 Ru3 B4 B8 -161.70(5) . . . . ?
C5 Ru3 B4 B9 -132.76(8) . . . . ?
C5 Ru3 B7 C2 12.26(7) . . . . ?
C5 Ru3 B7 B8 133.30(7) . . . . ?
C5 Ru3 B7 B11 34.04(9) . . . . ?
C5 Ru3 B7 B12 104.02(8) . . . . ?
C5 Ru3 B8 B4 30.86(8) . . . . ?
C5 Ru3 B8 B7 -92.68(8) . . . . ?
C5 Ru3 B8 B9 3.44(11) . . . . ?
C5 Ru3 B8 B12 -64.59(11) . . . . ?
C5 Ru3 C31 O31 113(3) . . . . ?
C5 Ru3 C32 O32 -141.4(10) . . . . ?
B5 C1 C2 Ru3 123.39(7) . . . . ?
B5 C1 C2 C3 -149.28(8) . . . . ?
B5 C1 C2 B6 -38.95(11) . . . . ?
B5 C1 C2 B7 68.57(9) . . . . ?
B5 C1 C2 B11 0.45(12) . . . . ?
B5 C1 Ru3 C2 -99.83(10) . . . . ?
B5 C1 Ru3 C4 -165.00(8) . . . . ?
B5 C1 Ru3 B4 25.79(8) . . . . ?
B5 C1 Ru3 C5 160.65(9) . . . . ?
B5 C1 Ru3 B7 -63.03(8) . . . . ?
B5 C1 Ru3 B8 -14.37(8) . . . . ?
B5 C1 Ru3 C31 -113.95(12) . . . . ?
B5 C1 Ru3 C32 79.73(10) . . . . ?
B5 C1 B4 Ru3 -157.43(7) . . . . ?
B5 C1 B4 B8 -102.68(9) . . . . ?
B5 C1 B4 B9 -40.47(8) . . . . ?
B5 C1 C6 C5 -165.82(9) . . . . ?
B5 C1 B6 C2 138.90(12) . . . . ?
B5 C1 B6 B10 40.38(8) . . . . ?
B5 C1 B6 B11 103.16(12) . . . . ?
B5 B4 B8 Ru3 -114.07(8) . . . . ?
B5 B4 B8 B7 -62.17(10) . . . . ?
B5 B4 B8 B9 36.98(8) . . . . ?
B5 B4 B8 B12 -1.04(11) . . . . ?
B5 B4 B9 B8 -139.24(8) . . . . ?
B5 B4 B9 B10 -36.80(8) . . . . ?
B5 B4 B9 B12 -100.42(9) . . . . ?
B5 B6 B10 B9 37.61(8) . . . . ?
B5 B6 B10 B11 138.54(8) . . . . ?
B5 B6 B10 B12 101.22(9) . . . . ?
B5 B6 B11 C2 96.76(8) . . . . ?
B5 B6 B11 B7 62.72(11) . . . . ?
B5 B6 B11 B10 -37.59(8) . . . . ?
B5 B6 B11 B12 -0.29(11) . . . . ?
B5 B9 B10 B6 -37.45(8) . . . . ?
B5 B9 B10 B11 -100.96(9) . . . . ?
B5 B9 B10 B12 -138.28(8) . . . . ?
B5 B9 B12 B7 -64.15(10) . . . . ?
B5 B9 B12 B8 -103.66(9) . . . . ?
B5 B9 B12 B10 37.22(8) . . . . ?
B5 B9 B12 B11 -0.10(10) . . . . ?
B5 B10 B11 C2 -2.56(11) . . . . ?
B5 B10 B11 B6 37.06(7) . . . . ?
B5 B10 B11 B7 -64.96(11) . . . . ?
B5 B10 B11 B12 -101.16(9) . . . . ?
B5 B10 B12 B7 63.97(10) . . . . ?
B5 B10 B12 B8 -1.92(11) . . . . ?
B5 B10 B12 B9 -37.50(8) . . . . ?
B5 B10 B12 B11 100.75(9) . . . . ?
C6 C1 C2 Ru3 -87.32(7) . . . . ?
C6 C1 C2 C3 0.01(11) . . . . ?
C6 C1 C2 B6 110.34(11) . . . . ?
C6 C1 C2 B7 -142.14(9) . . . . ?
C6 C1 C2 B11 149.74(9) . . . . ?
C6 C1 Ru3 C2 111.48(9) . . . . ?
C6 C1 Ru3 C4 46.31(6) . . . . ?
C6 C1 Ru3 B4 -122.90(8) . . . . ?
C6 C1 Ru3 C5 11.96(6) . . . . ?
C6 C1 Ru3 B7 148.27(7) . . . . ?
C6 C1 Ru3 B8 -163.07(7) . . . . ?
C6 C1 Ru3 C31 97.35(11) . . . . ?
C6 C1 Ru3 C32 -68.97(8) . . . . ?
C6 C1 B4 Ru3 83.76(9) . . . . ?
C6 C1 B4 B5 -118.81(10) . . . . ?
C6 C1 B4 B8 138.51(9) . . . . ?
C6 C1 B4 B9 -159.28(9) . . . . ?
C6 C1 B5 B4 112.52(10) . . . . ?
C6 C1 B5 B6 -105.57(12) . . . . ?
C6 C1 B5 B9 152.31(9) . . . . ?
C6 C1 B5 B10 -145.60(10) . . . . ?
C6 C1 B6 C2 -101.18(11) . . . . ?
C6 C1 B6 B5 119.92(10) . . . . ?
C6 C1 B6 B10 160.30(9) . . . . ?
C6 C1 B6 B11 -136.93(10) . . . . ?
B6 C1 C2 Ru3 162.34(11) . . . . ?
B6 C1 C2 C3 -110.33(12) . . . . ?
B6 C1 C2 B7 107.52(12) . . . . ?
B6 C1 C2 B11 39.40(10) . . . . ?
B6 C1 Ru3 C2 -18.87(11) . . . . ?
B6 C1 Ru3 C4 -84.04(10) . . . . ?
B6 C1 Ru3 B4 106.75(12) . . . . ?
B6 C1 Ru3 C5 -118.39(11) . . . . ?
B6 C1 Ru3 B7 17.93(10) . . . . ?
B6 C1 Ru3 B8 66.59(10) . . . . ?
B6 C1 Ru3 C31 -32.99(16) . . . . ?
B6 C1 Ru3 C32 160.69(10) . . . . ?
B6 C1 B4 Ru3 -120.06(8) . . . . ?
B6 C1 B4 B5 37.36(8) . . . . ?
B6 C1 B4 B8 -65.32(10) . . . . ?
B6 C1 B4 B9 -3.11(11) . . . . ?
B6 C1 B5 B4 -141.91(10) . . . . ?
B6 C1 B5 B9 -102.12(10) . . . . ?
B6 C1 B5 B10 -40.03(9) . . . . ?
B6 C1 C6 C5 118.39(9) . . . . ?
B6 C2 Ru3 C1 18.83(12) . . . . ?
B6 C2 Ru3 C4 118.47(15) . . . . ?
B6 C2 Ru3 B4 -17.34(14) . . . . ?
B6 C2 Ru3 C5 84.01(14) . . . . ?
B6 C2 Ru3 B7 -106.35(16) . . . . ?
B6 C2 Ru3 B8 -66.14(14) . . . . ?
B6 C2 Ru3 C31 -167.00(13) . . . . ?
B6 C2 Ru3 C32 17.7(3) . . . . ?
B6 C2 C3 C4 -118.25(10) . . . . ?
B6 C2 B7 Ru3 120.18(7) . . . . ?
B6 C2 B7 B8 65.04(9) . . . . ?
B6 C2 B7 B11 -37.00(8) . . . . ?
B6 C2 B7 B12 3.26(10) . . . . ?
B6 C2 B11 B7 142.21(8) . . . . ?
B6 C2 B11 B10 39.63(8) . . . . ?
B6 C2 B11 B12 102.02(9) . . . . ?
B6 B5 B9 B4 -101.76(9) . . . . ?
B6 B5 B9 B8 -63.78(10) . . . . ?
B6 B5 B9 B10 37.18(8) . . . . ?
B6 B5 B9 B12 -0.08(11) . . . . ?
B6 B5 B10 B9 -138.05(8) . . . . ?
B6 B5 B10 B11 -37.14(8) . . . . ?
B6 B5 B10 B12 -100.58(9) . . . . ?
B6 B10 B11 C2 -39.62(8) . . . . ?
B6 B10 B11 B7 -102.02(8) . . . . ?
B6 B10 B11 B12 -138.22(8) . . . . ?
B6 B10 B12 B7 0.60(11) . . . . ?
B6 B10 B12 B8 -65.29(10) . . . . ?
B6 B10 B12 B9 -100.88(9) . . . . ?
B6 B10 B12 B11 37.37(8) . . . . ?
B6 B11 B12 B7 102.34(9) . . . . ?
B6 B11 B12 B8 64.45(10) . . . . ?
B6 B11 B12 B9 0.24(11) . . . . ?
B6 B11 B12 B10 -37.02(8) . . . . ?
B7 C2 Ru3 C1 125.18(8) . . . . ?
B7 C2 Ru3 C4 -135.18(6) . . . . ?
B7 C2 Ru3 B4 89.00(6) . . . . ?
B7 C2 Ru3 C5 -169.64(6) . . . . ?
B7 C2 Ru3 B8 40.21(6) . . . . ?
B7 C2 Ru3 C31 -60.65(7) . . . . ?
B7 C2 Ru3 C32 124.06(17) . . . . ?
B7 C2 C3 C4 86.13(11) . . . . ?
B7 C2 B6 C1 -101.05(9) . . . . ?
B7 C2 B6 B5 -65.86(13) . . . . ?
B7 C2 B6 B10 -2.92(10) . . . . ?
B7 C2 B6 B11 37.08(8) . . . . ?
B7 C2 B11 B6 -142.21(8) . . . . ?
B7 C2 B11 B10 -102.58(8) . . . . ?
B7 C2 B11 B12 -40.19(7) . . . . ?
B7 Ru3 C4 C3 -18.62(7) . . . . ?
B7 Ru3 C4 C5 -137.94(7) . . . . ?
B7 Ru3 B4 C1 82.84(5) . . . . ?
B7 Ru3 B4 B5 61.19(8) . . . . ?
B7 Ru3 B4 B8 -38.55(5) . . . . ?
B7 Ru3 B4 B9 -9.61(8) . . . . ?
B7 Ru3 C5 C4 52.76(8) . . . . ?
B7 Ru3 C5 C6 -66.65(8) . . . . ?
B7 Ru3 B8 B4 123.54(7) . . . . ?
B7 Ru3 B8 B9 96.12(8) . . . . ?
B7 Ru3 B8 B12 28.09(7) . . . . ?
B7 Ru3 C31 O31 -13(3) . . . . ?
B7 Ru3 C32 O32 24.0(10) . . . . ?
B7 B8 B9 B4 99.30(9) . . . . ?
B7 B8 B9 B5 62.07(10) . . . . ?
B7 B8 B9 B10 -1.97(11) . . . . ?
B7 B8 B9 B12 -37.32(8) . . . . ?
B7 B8 B12 B9 136.96(9) . . . . ?
B7 B8 B12 B10 101.56(9) . . . . ?
B7 B8 B12 B11 37.30(8) . . . . ?
B7 B11 B12 B8 -37.89(8) . . . . ?
B7 B11 B12 B9 -102.10(9) . . . . ?
B7 B11 B12 B10 -139.36(8) . . . . ?
B8 Ru3 C4 C3 4.75(11) . . . . ?
B8 Ru3 C4 C5 -114.57(9) . . . . ?
B8 Ru3 B4 C1 121.39(7) . . . . ?
B8 Ru3 B4 B5 99.74(9) . . . . ?
B8 Ru3 B4 B9 28.94(7) . . . . ?
B8 Ru3 C5 C4 115.53(8) . . . . ?
B8 Ru3 C5 C6 -3.87(10) . . . . ?
B8 Ru3 B7 C2 -121.04(7) . . . . ?
B8 Ru3 B7 B11 -99.27(9) . . . . ?
B8 Ru3 B7 B12 -29.28(7) . . . . ?
B8 Ru3 C31 O31 -57(3) . . . . ?
B8 Ru3 C32 O32 2.8(10) . . . . ?
B8 B4 B5 C1 97.03(8) . . . . ?
B8 B4 B5 B6 62.93(12) . . . . ?
B8 B4 B5 B9 -36.69(8) . . . . ?
B8 B4 B5 B10 -0.09(11) . . . . ?
B8 B4 B9 B5 139.24(8) . . . . ?
B8 B4 B9 B10 102.44(9) . . . . ?
B8 B4 B9 B12 38.81(8) . . . . ?
B8 B7 B11 C2 -97.12(8) . . . . ?
B8 B7 B11 B6 -63.14(11) . . . . ?
B8 B7 B11 B10 0.00(11) . . . . ?
B8 B7 B11 B12 36.45(8) . . . . ?
B8 B7 B12 B9 -38.85(8) . . . . ?
B8 B7 B12 B10 -102.56(9) . . . . ?
B8 B7 B12 B11 -139.17(9) . . . . ?
B8 B9 B10 B5 102.98(9) . . . . ?
B8 B9 B10 B6 65.53(11) . . . . ?
B8 B9 B10 B11 2.01(11) . . . . ?
B8 B9 B10 B12 -35.30(8) . . . . ?
B8 B9 B12 B7 39.51(8) . . . . ?
B8 B9 B12 B10 140.87(9) . . . . ?
B8 B9 B12 B11 103.56(9) . . . . ?
B9 B4 B5 C1 133.71(8) . . . . ?
B9 B4 B5 B6 99.61(11) . . . . ?
B9 B4 B5 B10 36.59(8) . . . . ?
B9 B4 B8 Ru3 -151.05(7) . . . . ?
B9 B4 B8 B7 -99.16(8) . . . . ?
B9 B4 B8 B12 -38.03(8) . . . . ?
B9 B5 B6 C1 96.53(9) . . . . ?
B9 B5 B6 C2 60.78(14) . . . . ?
B9 B5 B6 B10 -37.33(8) . . . . ?
B9 B5 B6 B11 0.23(11) . . . . ?
B9 B5 B10 B6 138.05(8) . . . . ?
B9 B5 B10 B11 100.91(9) . . . . ?
B9 B5 B10 B12 37.47(8) . . . . ?
B9 B8 B12 B7 -136.96(9) . . . . ?
B9 B8 B12 B10 -35.40(8) . . . . ?
B9 B8 B12 B11 -99.66(9) . . . . ?
B9 B10 B11 C2 61.18(11) . . . . ?
B9 B10 B11 B6 100.80(9) . . . . ?
B9 B10 B11 B7 -1.22(11) . . . . ?
B9 B10 B11 B12 -37.42(8) . . . . ?
B9 B10 B12 B7 101.47(9) . . . . ?
B9 B10 B12 B8 35.58(8) . . . . ?
B9 B10 B12 B11 138.25(9) . . . . ?
B10 B5 B6 C1 133.86(9) . . . . ?
B10 B5 B6 C2 98.11(13) . . . . ?
B10 B5 B6 B11 37.56(9) . . . . ?
B10 B5 B9 B4 -138.94(8) . . . . ?
B10 B5 B9 B8 -100.96(9) . . . . ?
B10 B5 B9 B12 -37.26(8) . . . . ?
B10 B6 B11 C2 134.34(8) . . . . ?
B10 B6 B11 B7 100.31(9) . . . . ?
B10 B6 B11 B12 37.29(8) . . . . ?
B10 B9 B12 B7 -101.37(9) . . . . ?
B10 B9 B12 B8 -140.87(9) . . . . ?
B10 B9 B12 B11 -37.32(8) . . . . ?
B10 B11 B12 B7 139.36(8) . . . . ?
B10 B11 B12 B8 101.48(9) . . . . ?
B10 B11 B12 B9 37.26(8) . . . . ?
B11 C2 Ru3 C1 99.43(9) . . . . ?
B11 C2 Ru3 C4 -160.93(9) . . . . ?
B11 C2 Ru3 B4 63.25(8) . . . . ?
B11 C2 Ru3 C5 164.61(8) . . . . ?
B11 C2 Ru3 B7 -25.75(8) . . . . ?
B11 C2 Ru3 B8 14.46(8) . . . . ?
B11 C2 Ru3 C31 -86.40(8) . . . . ?
B11 C2 Ru3 C32 98.31(19) . . . . ?
B11 C2 C3 C4 165.70(10) . . . . ?
B11 C2 B6 C1 -138.13(10) . . . . ?
B11 C2 B6 B5 -102.94(13) . . . . ?
B11 C2 B6 B10 -40.01(8) . . . . ?
B11 C2 B7 Ru3 157.18(6) . . . . ?
B11 C2 B7 B8 102.04(8) . . . . ?
B11 C2 B7 B12 40.26(7) . . . . ?
B11 B6 B10 B5 -138.54(8) . . . . ?
B11 B6 B10 B9 -100.92(9) . . . . ?
B11 B6 B10 B12 -37.31(7) . . . . ?
B11 B7 B8 Ru3 113.88(8) . . . . ?
B11 B7 B8 B4 61.87(10) . . . . ?
B11 B7 B8 B9 1.21(11) . . . . ?
B11 B7 B8 B12 -36.68(8) . . . . ?
B11 B7 B12 B8 139.17(9) . . . . ?
B11 B7 B12 B9 100.32(9) . . . . ?
B11 B7 B12 B10 36.61(8) . . . . ?
B11 B10 B12 B7 -36.78(8) . . . . ?
B11 B10 B12 B8 -102.67(9) . . . . ?
B11 B10 B12 B9 -138.25(9) . . . . ?
B12 B7 B8 Ru3 150.55(7) . . . . ?
B12 B7 B8 B4 98.54(9) . . . . ?
B12 B7 B8 B9 37.88(8) . . . . ?
B12 B7 B11 C2 -133.57(8) . . . . ?
B12 B7 B11 B6 -99.60(10) . . . . ?
B12 B7 B11 B10 -36.46(8) . . . . ?
B12 B8 B9 B4 136.62(9) . . . . ?
B12 B8 B9 B5 99.39(9) . . . . ?
B12 B8 B9 B10 35.34(8) . . . . ?
B12 B9 B10 B5 138.28(8) . . . . ?
B12 B9 B10 B6 100.83(9) . . . . ?
B12 B9 B10 B11 37.31(8) . . . . ?
B12 B10 B11 C2 98.60(9) . . . . ?
B12 B10 B11 B6 138.22(8) . . . . ?
B12 B10 B11 B7 36.20(8) . . . . ?
C31 Ru3 C4 C3 -104.59(7) . . . . ?
C31 Ru3 C4 C5 136.09(7) . . . . ?
C31 Ru3 B4 C1 151.12(7) . . . . ?
C31 Ru3 B4 B5 129.47(9) . . . . ?
C31 Ru3 B4 B8 29.73(10) . . . . ?
C31 Ru3 B4 B9 58.67(12) . . . . ?
C31 Ru3 C5 C4 -48.17(7) . . . . ?
C31 Ru3 C5 C6 -167.58(6) . . . . ?
C31 Ru3 B7 C2 126.21(6) . . . . ?
C31 Ru3 B7 B8 -112.74(6) . . . . ?
C31 Ru3 B7 B11 147.99(8) . . . . ?
C31 Ru3 B7 B12 -142.02(8) . . . . ?
C31 Ru3 B8 B4 -164.74(5) . . . . ?
C31 Ru3 B8 B7 71.72(6) . . . . ?
C31 Ru3 B8 B9 167.84(7) . . . . ?
C31 Ru3 B8 B12 99.81(8) . . . . ?
C31 Ru3 C32 O32 107.0(10) . . . . ?
C32 Ru3 C4 C3 168.32(6) . . . . ?
C32 Ru3 C4 C5 49.01(8) . . . . ?
C32 Ru3 B4 C1 -131.57(7) . . . . ?
C32 Ru3 B4 B5 -153.22(10) . . . . ?
C32 Ru3 B4 B8 107.04(7) . . . . ?
C32 Ru3 B4 B9 135.98(9) . . . . ?
C32 Ru3 C5 C4 -137.92(7) . . . . ?
C32 Ru3 C5 C6 102.67(7) . . . . ?
C32 Ru3 B7 C2 -150.00(6) . . . . ?
C32 Ru3 B7 B8 -28.95(9) . . . . ?
C32 Ru3 B7 B11 -128.22(8) . . . . ?
C32 Ru3 B7 B12 -58.23(11) . . . . ?
C32 Ru3 B8 B4 -73.74(6) . . . . ?
C32 Ru3 B8 B7 162.72(6) . . . . ?
C32 Ru3 B8 B9 -101.17(8) . . . . ?
C32 Ru3 B8 B12 -169.19(8) . . . . ?
C32 Ru3 C31 O31 -155(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5393
_database_code_depnum_ccdc_archive 'CCDC 1479548'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-06-07 downloaded from the CCDC.
;
_audit_creation_date             2016-01-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C11 H24 B9 O2 P Ru'
_chemical_formula_sum            'C11 H24 B9 O2 P Ru'
_chemical_formula_weight         417.63
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_H-M_alt        'P 1 n 1'
_space_group_name_Hall           'P -2yac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y, z+1/2'

_cell_length_a                   7.671(6)
_cell_length_b                   13.332(10)
_cell_length_c                   9.525(8)
_cell_angle_alpha                90
_cell_angle_beta                 103.45(2)
_cell_angle_gamma                90
_cell_volume                     947.5(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7066
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      32.653
_cell_measurement_theta_min      2.689
_shelx_estimated_absorpt_T_max   0.899
_shelx_estimated_absorpt_T_min   0.747
_exptl_absorpt_coefficient_mu    0.911
_exptl_absorpt_correction_T_max  0.7469
_exptl_absorpt_correction_T_min  0.6498
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0663 before and 0.0544 after correction.
The Ratio of minimum to maximum transmission is 0.8700.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_unetI/netI     0.0566
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            28499
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.883
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         34.925
_diffrn_reflns_theta_min         3.056
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.779
_reflns_Friedel_fraction_full    0.940
_reflns_Friedel_fraction_max     0.775
_reflns_number_gt                6472
_reflns_number_total             7350
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.516
_refine_diff_density_min         -0.744
_refine_diff_density_rms         0.101
_refine_ls_abs_structure_details 
;
 Flack x determined using 2470 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         7350
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0332
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0199P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0532
_refine_ls_wR_factor_ref         0.0554
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C6(H6A,H6B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4A), C5(H5A)
2.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7245(4) 0.3773(2) 0.2701(3) 0.0100(5) Uani 1 1 d . . . . .
P1 P 0.53377(10) 0.11431(5) 0.49725(7) 0.01196(13) Uani 1 1 d . . . . .
C2 C 0.5313(4) 0.3181(2) 0.2037(3) 0.0105(5) Uani 1 1 d . . . . .
C3 C 0.3561(4) 0.3696(2) 0.2138(3) 0.0127(5) Uani 1 1 d . . . . .
H3A H 0.2799 0.3775 0.1151 0.015 Uiso 1 1 calc R . . . .
H3B H 0.2914 0.3255 0.2682 0.015 Uiso 1 1 calc R . . . .
Ru3 Ru 0.67454(5) 0.25407(2) 0.42377(4) 0.00855(4) Uani 1 1 d . . . . .
B4 B 0.9000(4) 0.2927(2) 0.3150(3) 0.0117(5) Uani 1 1 d . . . . .
H4 H 1.031(4) 0.316(2) 0.394(3) 0.014 Uiso 1 1 d R . . . .
C4 C 0.3804(4) 0.4714(2) 0.2860(3) 0.0150(5) Uani 1 1 d . . . . .
H4A H 0.2744 0.5052 0.2949 0.018 Uiso 1 1 calc R . . . .
B5 B 0.8650(4) 0.3655(2) 0.1524(3) 0.0123(6) Uani 1 1 d . . . . .
H5 H 0.956(4) 0.425(2) 0.148(3) 0.015 Uiso 1 1 d R . . . .
C5 C 0.5340(4) 0.5185(2) 0.3382(3) 0.0148(5) Uani 1 1 d . . . . .
H5A H 0.5265 0.5825 0.3803 0.018 Uiso 1 1 calc R . . . .
B6 B 0.6338(4) 0.3828(2) 0.0842(3) 0.0118(5) Uani 1 1 d . . . . .
H6 H 0.574(4) 0.455(2) 0.048(3) 0.014 Uiso 1 1 d R . . . .
C6 C 0.7196(4) 0.4810(2) 0.3376(3) 0.0128(5) Uani 1 1 d . . . . .
H6A H 0.7915 0.4789 0.4383 0.015 Uiso 1 1 calc R . . . .
H6B H 0.7773 0.5297 0.2842 0.015 Uiso 1 1 calc R . . . .
B7 B 0.5637(4) 0.1900(2) 0.1989(3) 0.0118(5) Uani 1 1 d . . . . .
H7 H 0.441(4) 0.141(2) 0.195(3) 0.014 Uiso 1 1 d R . . . .
B8 B 0.8031(5) 0.1671(2) 0.2664(3) 0.0116(6) Uani 1 1 d . . . . .
H8 H 0.865(4) 0.094(2) 0.308(3) 0.014 Uiso 1 1 d R . . . .
B9 B 0.9122(5) 0.2348(2) 0.1472(3) 0.0126(6) Uani 1 1 d . . . . .
H9 H 1.041(4) 0.205(3) 0.136(3) 0.015 Uiso 1 1 d R . . . .
B10 B 0.7469(5) 0.2910(2) 0.0046(3) 0.0136(6) Uani 1 1 d . . . . .
H10 H 0.763(4) 0.305(2) -0.108(3) 0.016 Uiso 1 1 d R . . . .
C10 C 0.2903(4) 0.1203(2) 0.4483(3) 0.0177(6) Uani 1 1 d . . . . .
H10A H 0.2491 0.1256 0.3432 0.027 Uiso 1 1 calc GR . . . .
H10B H 0.2499 0.1790 0.4938 0.027 Uiso 1 1 calc GR . . . .
H10C H 0.2408 0.0593 0.4816 0.027 Uiso 1 1 calc GR . . . .
B11 B 0.5324(5) 0.2650(2) 0.0387(3) 0.0134(6) Uani 1 1 d . . . . .
H11 H 0.399(5) 0.257(2) -0.039(4) 0.016 Uiso 1 1 d R . . . .
C11 C 0.5796(5) 0.0968(2) 0.6926(3) 0.0214(6) Uani 1 1 d . . . . .
H11A H 0.5437 0.1571 0.7375 0.032 Uiso 1 1 calc GR . . . .
H11B H 0.7081 0.0849 0.7303 0.032 Uiso 1 1 calc GR . . . .
H11C H 0.5117 0.0390 0.7147 0.032 Uiso 1 1 calc GR . . . .
B12 B 0.7035(4) 0.1722(2) 0.0767(3) 0.0134(6) Uani 1 1 d . . . . .
H12 H 0.695(4) 0.102(2) 0.017(3) 0.016 Uiso 1 1 d R . . . .
C12 C 0.5920(4) -0.0075(2) 0.4347(3) 0.0188(6) Uani 1 1 d . . . . .
H12A H 0.7197 -0.0207 0.4742 0.028 Uiso 1 1 calc GR . . . .
H12B H 0.5670 -0.0077 0.3290 0.028 Uiso 1 1 calc GR . . . .
H12C H 0.5206 -0.0598 0.4672 0.028 Uiso 1 1 calc GR . . . .
C31 C 0.8673(4) 0.2343(2) 0.5864(3) 0.0163(6) Uani 1 1 d . . . . .
O31 O 0.9900(3) 0.2215(2) 0.6788(2) 0.0265(5) Uani 1 1 d . . . . .
C32 C 0.5466(4) 0.3285(2) 0.5432(3) 0.0135(5) Uani 1 1 d . . . . .
O32 O 0.4712(3) 0.36656(16) 0.6188(2) 0.0231(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1 C2 1.669(4) . ?
C1 Ru3 2.291(3) . ?
C1 B4 1.732(4) . ?
C1 B5 1.733(4) . ?
C1 B6 1.747(4) . ?
C1 C6 1.529(4) . ?
P1 Ru3 2.3408(14) . ?
P1 C10 1.819(3) . ?
P1 C11 1.826(3) . ?
P1 C12 1.822(3) . ?
C2 C3 1.533(4) . ?
C2 Ru3 2.294(3) . ?
C2 B6 1.753(4) . ?
C2 B7 1.727(4) . ?
C2 B11 1.726(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.513(4) . ?
Ru3 B4 2.272(3) . ?
Ru3 B7 2.278(3) . ?
Ru3 B8 2.292(3) . ?
Ru3 C31 1.895(3) . ?
Ru3 C32 1.940(3) . ?
B4 H4 1.15(3) . ?
B4 B5 1.794(4) . ?
B4 B8 1.846(5) . ?
B4 B9 1.797(4) . ?
C4 H4A 0.9500 . ?
C4 C5 1.325(4) . ?
B5 H5 1.07(3) . ?
B5 B6 1.756(5) . ?
B5 B9 1.783(4) . ?
B5 B10 1.787(4) . ?
C5 H5A 0.9500 . ?
C5 C6 1.511(4) . ?
B6 H6 1.09(3) . ?
B6 B10 1.769(5) . ?
B6 B11 1.761(4) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
B7 H7 1.14(3) . ?
B7 B8 1.825(5) . ?
B7 B11 1.793(4) . ?
B7 B12 1.773(4) . ?
B8 H8 1.12(3) . ?
B8 B9 1.801(4) . ?
B8 B12 1.792(4) . ?
B9 H9 1.09(3) . ?
B9 B10 1.793(5) . ?
B9 B12 1.792(5) . ?
B10 H10 1.12(3) . ?
B10 B11 1.784(5) . ?
B10 B12 1.789(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
B11 H11 1.12(4) . ?
B11 B12 1.779(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
B12 H12 1.08(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C31 O31 1.142(4) . ?
C32 O32 1.141(3) . ?

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
C2 C1 Ru3 68.73(13) . . ?
C2 C1 B4 110.9(2) . . ?
C2 C1 B5 110.0(2) . . ?
C2 C1 B6 61.71(16) . . ?
B4 C1 Ru3 67.12(14) . . ?
B4 C1 B5 62.37(17) . . ?
B4 C1 B6 112.4(2) . . ?
B5 C1 Ru3 124.73(17) . . ?
B5 C1 B6 60.62(18) . . ?
B6 C1 Ru3 126.24(17) . . ?
C6 C1 C2 118.7(2) . . ?
C6 C1 Ru3 110.83(17) . . ?
C6 C1 B4 125.4(2) . . ?
C6 C1 B5 115.7(2) . . ?
C6 C1 B6 110.2(2) . . ?
C10 P1 Ru3 113.98(10) . . ?
C10 P1 C11 102.11(14) . . ?
C10 P1 C12 105.68(14) . . ?
C11 P1 Ru3 114.42(11) . . ?
C12 P1 Ru3 116.54(11) . . ?
C12 P1 C11 102.45(15) . . ?
C1 C2 Ru3 68.58(12) . . ?
C1 C2 B6 61.35(17) . . ?
C1 C2 B7 110.9(2) . . ?
C1 C2 B11 110.3(2) . . ?
C3 C2 C1 118.6(2) . . ?
C3 C2 Ru3 110.48(16) . . ?
C3 C2 B6 110.7(2) . . ?
C3 C2 B7 125.3(2) . . ?
C3 C2 B11 115.6(2) . . ?
B6 C2 Ru3 125.78(18) . . ?
B7 C2 Ru3 67.34(13) . . ?
B7 C2 B6 112.37(19) . . ?
B11 C2 Ru3 125.25(18) . . ?
B11 C2 B6 60.83(17) . . ?
B11 C2 B7 62.59(16) . . ?
C2 C3 H3A 108.7 . . ?
C2 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C4 C3 C2 114.4(2) . . ?
C4 C3 H3A 108.7 . . ?
C4 C3 H3B 108.7 . . ?
C1 Ru3 P1 156.80(7) . . ?
C1 Ru3 C2 42.69(10) . . ?
C1 Ru3 B8 77.48(12) . . ?
C2 Ru3 P1 114.41(8) . . ?
B4 Ru3 C1 44.60(10) . . ?
B4 Ru3 P1 140.33(8) . . ?
B4 Ru3 C2 75.67(11) . . ?
B4 Ru3 B7 79.26(12) . . ?
B4 Ru3 B8 47.72(12) . . ?
B7 Ru3 C1 75.49(11) . . ?
B7 Ru3 P1 83.42(9) . . ?
B7 Ru3 C2 44.39(11) . . ?
B7 Ru3 B8 47.08(12) . . ?
B8 Ru3 P1 95.26(10) . . ?
B8 Ru3 C2 77.16(12) . . ?
C31 Ru3 C1 114.04(12) . . ?
C31 Ru3 P1 88.37(10) . . ?
C31 Ru3 C2 156.35(11) . . ?
C31 Ru3 B4 82.67(13) . . ?
C31 Ru3 B7 140.01(12) . . ?
C31 Ru3 B8 95.27(13) . . ?
C31 Ru3 C32 89.81(14) . . ?
C32 Ru3 C1 100.98(12) . . ?
C32 Ru3 P1 84.28(10) . . ?
C32 Ru3 C2 98.37(12) . . ?
C32 Ru3 B4 133.96(13) . . ?
C32 Ru3 B7 127.87(13) . . ?
C32 Ru3 B8 174.89(13) . . ?
C1 B4 Ru3 68.28(14) . . ?
C1 B4 H4 119.6(17) . . ?
C1 B4 B5 58.85(17) . . ?
C1 B4 B8 106.5(2) . . ?
C1 B4 B9 105.0(2) . . ?
Ru3 B4 H4 114.0(16) . . ?
B5 B4 Ru3 122.6(2) . . ?
B5 B4 H4 110.4(16) . . ?
B5 B4 B8 107.7(2) . . ?
B5 B4 B9 59.52(17) . . ?
B8 B4 Ru3 66.70(14) . . ?
B8 B4 H4 130.7(17) . . ?
B9 B4 Ru3 120.73(19) . . ?
B9 B4 H4 118.7(16) . . ?
B9 B4 B8 59.25(17) . . ?
C3 C4 H4A 116.5 . . ?
C5 C4 C3 126.9(3) . . ?
C5 C4 H4A 116.5 . . ?
C1 B5 B4 58.78(17) . . ?
C1 B5 H5 118.1(17) . . ?
C1 B5 B6 60.08(17) . . ?
C1 B5 B9 105.5(2) . . ?
C1 B5 B10 106.4(2) . . ?
B4 B5 H5 118.0(17) . . ?
B6 B5 B4 109.0(2) . . ?
B6 B5 H5 120.3(17) . . ?
B6 B5 B9 108.2(2) . . ?
B6 B5 B10 59.90(18) . . ?
B9 B5 B4 60.32(17) . . ?
B9 B5 H5 125.9(17) . . ?
B9 B5 B10 60.28(18) . . ?
B10 B5 B4 109.1(2) . . ?
B10 B5 H5 126.8(17) . . ?
C4 C5 H5A 116.6 . . ?
C4 C5 C6 126.7(3) . . ?
C6 C5 H5A 116.6 . . ?
C1 B6 C2 56.95(15) . . ?
C1 B6 B5 59.30(16) . . ?
C1 B6 H6 113.6(16) . . ?
C1 B6 B10 106.6(2) . . ?
C1 B6 B11 105.1(2) . . ?
C2 B6 B5 105.2(2) . . ?
C2 B6 H6 115.0(17) . . ?
C2 B6 B10 106.1(2) . . ?
C2 B6 B11 58.81(17) . . ?
B5 B6 H6 123.3(17) . . ?
B5 B6 B10 60.92(18) . . ?
B5 B6 B11 108.9(2) . . ?
B10 B6 H6 133.4(16) . . ?
B11 B6 H6 125.5(17) . . ?
B11 B6 B10 60.71(19) . . ?
C1 C6 H6A 108.6 . . ?
C1 C6 H6B 108.6 . . ?
C5 C6 C1 114.6(2) . . ?
C5 C6 H6A 108.6 . . ?
C5 C6 H6B 108.6 . . ?
H6A C6 H6B 107.6 . . ?
C2 B7 Ru3 68.27(13) . . ?
C2 B7 H7 116.7(16) . . ?
C2 B7 B8 107.2(2) . . ?
C2 B7 B11 58.66(16) . . ?
C2 B7 B12 105.2(2) . . ?
Ru3 B7 H7 112.0(15) . . ?
B8 B7 Ru3 66.84(14) . . ?
B8 B7 H7 132.1(16) . . ?
B11 B7 Ru3 122.56(19) . . ?
B11 B7 H7 110.2(16) . . ?
B11 B7 B8 108.5(2) . . ?
B12 B7 Ru3 121.1(2) . . ?
B12 B7 H7 121.2(15) . . ?
B12 B7 B8 59.71(18) . . ?
B12 B7 B11 59.83(18) . . ?
Ru3 B8 H8 114.7(15) . . ?
B4 B8 Ru3 65.58(14) . . ?
B4 B8 H8 126.2(17) . . ?
B7 B8 Ru3 66.08(14) . . ?
B7 B8 B4 104.5(2) . . ?
B7 B8 H8 125.4(17) . . ?
B9 B8 Ru3 119.52(19) . . ?
B9 B8 B4 59.01(17) . . ?
B9 B8 B7 105.7(2) . . ?
B9 B8 H8 116.3(16) . . ?
B12 B8 Ru3 119.5(2) . . ?
B12 B8 B4 105.8(2) . . ?
B12 B8 B7 58.70(17) . . ?
B12 B8 H8 116.1(16) . . ?
B12 B8 B9 59.84(18) . . ?
B4 B9 B8 61.74(18) . . ?
B4 B9 H9 118.6(17) . . ?
B5 B9 B4 60.16(17) . . ?
B5 B9 B8 110.2(2) . . ?
B5 B9 H9 123.7(18) . . ?
B5 B9 B10 59.99(18) . . ?
B5 B9 B12 107.2(2) . . ?
B8 B9 H9 116.1(17) . . ?
B10 B9 B4 108.7(2) . . ?
B10 B9 B8 109.7(2) . . ?
B10 B9 H9 125.1(16) . . ?
B12 B9 B4 107.9(2) . . ?
B12 B9 B8 59.83(18) . . ?
B12 B9 H9 122.8(18) . . ?
B12 B9 B10 59.89(19) . . ?
B5 B10 B9 59.73(18) . . ?
B5 B10 H10 121.1(17) . . ?
B5 B10 B12 107.2(2) . . ?
B6 B10 B5 59.18(18) . . ?
B6 B10 B9 107.2(2) . . ?
B6 B10 H10 118.1(17) . . ?
B6 B10 B11 59.42(17) . . ?
B6 B10 B12 107.1(2) . . ?
B9 B10 H10 125.3(17) . . ?
B11 B10 B5 106.5(2) . . ?
B11 B10 B9 107.5(2) . . ?
B11 B10 H10 120.9(17) . . ?
B11 B10 B12 59.71(18) . . ?
B12 B10 B9 60.05(18) . . ?
B12 B10 H10 125.5(17) . . ?
P1 C10 H10A 109.5 . . ?
P1 C10 H10B 109.5 . . ?
P1 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C2 B11 B6 60.36(16) . . ?
C2 B11 B7 58.75(17) . . ?
C2 B11 B10 106.6(2) . . ?
C2 B11 H11 116.2(19) . . ?
C2 B11 B12 105.1(2) . . ?
B6 B11 B7 108.9(2) . . ?
B6 B11 B10 59.87(18) . . ?
B6 B11 H11 121.8(15) . . ?
B6 B11 B12 107.9(2) . . ?
B7 B11 H11 115.6(17) . . ?
B10 B11 B7 108.5(2) . . ?
B10 B11 H11 129.6(19) . . ?
B12 B11 B7 59.53(17) . . ?
B12 B11 B10 60.29(19) . . ?
B12 B11 H11 126.1(16) . . ?
P1 C11 H11A 109.5 . . ?
P1 C11 H11B 109.5 . . ?
P1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
B7 B12 B8 61.59(18) . . ?
B7 B12 B9 108.4(2) . . ?
B7 B12 B10 109.1(2) . . ?
B7 B12 B11 60.65(18) . . ?
B7 B12 H12 119.2(16) . . ?
B8 B12 B9 60.33(18) . . ?
B8 B12 H12 117.3(17) . . ?
B9 B12 H12 122.5(17) . . ?
B10 B12 B8 110.2(2) . . ?
B10 B12 B9 60.06(18) . . ?
B10 B12 H12 123.5(16) . . ?
B11 B12 B8 110.7(2) . . ?
B11 B12 B9 107.7(2) . . ?
B11 B12 B10 60.00(18) . . ?
B11 B12 H12 122.4(17) . . ?
P1 C12 H12A 109.5 . . ?
P1 C12 H12B 109.5 . . ?
P1 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O31 C31 Ru3 175.8(3) . . ?
O32 C32 Ru3 175.4(2) . . ?

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
C1 C2 C3 C4 -0.2(3) . . . . ?
C1 C2 B6 B5 36.12(19) . . . . ?
C1 C2 B6 B10 99.6(2) . . . . ?
C1 C2 B6 B11 139.3(2) . . . . ?
C1 C2 B7 Ru3 54.33(15) . . . . ?
C1 C2 B7 B8 -1.2(2) . . . . ?
C1 C2 B7 B11 -102.7(2) . . . . ?
C1 C2 B7 B12 -63.6(2) . . . . ?
C1 C2 B11 B6 -37.6(2) . . . . ?
C1 C2 B11 B7 103.7(2) . . . . ?
C1 C2 B11 B10 1.8(3) . . . . ?
C1 C2 B11 B12 64.7(3) . . . . ?
C1 B4 B5 B6 -34.3(2) . . . . ?
C1 B4 B5 B9 -134.9(2) . . . . ?
C1 B4 B5 B10 -98.1(2) . . . . ?
C1 B4 B8 Ru3 -56.77(16) . . . . ?
C1 B4 B8 B7 -2.0(2) . . . . ?
C1 B4 B8 B9 97.9(2) . . . . ?
C1 B4 B8 B12 59.0(2) . . . . ?
C1 B4 B9 B5 38.9(2) . . . . ?
C1 B4 B9 B8 -100.6(2) . . . . ?
C1 B4 B9 B10 2.3(3) . . . . ?
C1 B4 B9 B12 -61.2(3) . . . . ?
C1 B5 B6 C2 -35.07(18) . . . . ?
C1 B5 B6 B10 -135.3(2) . . . . ?
C1 B5 B6 B11 -96.8(2) . . . . ?
C1 B5 B9 B4 -39.0(2) . . . . ?
C1 B5 B9 B8 -1.3(3) . . . . ?
C1 B5 B9 B10 100.3(2) . . . . ?
C1 B5 B9 B12 62.1(3) . . . . ?
C1 B5 B10 B6 39.47(19) . . . . ?
C1 B5 B10 B9 -98.8(2) . . . . ?
C1 B5 B10 B11 2.1(3) . . . . ?
C1 B5 B10 B12 -60.6(3) . . . . ?
C1 B6 B10 B5 -39.14(19) . . . . ?
C1 B6 B10 B9 -2.2(3) . . . . ?
C1 B6 B10 B11 98.4(2) . . . . ?
C1 B6 B10 B12 61.0(3) . . . . ?
C1 B6 B11 C2 34.48(19) . . . . ?
C1 B6 B11 B7 0.1(3) . . . . ?
C1 B6 B11 B10 -100.8(2) . . . . ?
C1 B6 B11 B12 -63.0(2) . . . . ?
C2 C1 B4 Ru3 -54.38(16) . . . . ?
C2 C1 B4 B5 102.4(2) . . . . ?
C2 C1 B4 B8 1.4(2) . . . . ?
C2 C1 B4 B9 63.2(2) . . . . ?
C2 C1 B5 B4 -103.7(2) . . . . ?
C2 C1 B5 B6 38.3(2) . . . . ?
C2 C1 B5 B9 -64.0(3) . . . . ?
C2 C1 B5 B10 -1.1(3) . . . . ?
C2 C1 B6 B5 -138.6(2) . . . . ?
C2 C1 B6 B10 -98.7(2) . . . . ?
C2 C1 B6 B11 -35.3(2) . . . . ?
C2 C1 C6 C5 0.8(3) . . . . ?
C2 C3 C4 C5 0.6(4) . . . . ?
C2 B6 B10 B5 -98.7(2) . . . . ?
C2 B6 B10 B9 -61.7(3) . . . . ?
C2 B6 B10 B11 38.77(19) . . . . ?
C2 B6 B10 B12 1.4(3) . . . . ?
C2 B6 B11 B7 -34.4(2) . . . . ?
C2 B6 B11 B10 -135.3(2) . . . . ?
C2 B6 B11 B12 -97.5(2) . . . . ?
C2 B7 B8 Ru3 56.38(15) . . . . ?
C2 B7 B8 B4 1.9(2) . . . . ?
C2 B7 B8 B9 -59.4(2) . . . . ?
C2 B7 B8 B12 -97.9(2) . . . . ?
C2 B7 B11 B6 35.1(2) . . . . ?
C2 B7 B11 B10 98.6(2) . . . . ?
C2 B7 B11 B12 135.2(2) . . . . ?
C2 B7 B12 B8 101.3(2) . . . . ?
C2 B7 B12 B9 61.9(3) . . . . ?
C2 B7 B12 B10 -2.0(3) . . . . ?
C2 B7 B12 B11 -38.58(19) . . . . ?
C2 B11 B12 B7 38.6(2) . . . . ?
C2 B11 B12 B8 1.3(3) . . . . ?
C2 B11 B12 B9 -62.9(2) . . . . ?
C2 B11 B12 B10 -100.8(2) . . . . ?
C3 C2 B6 C1 112.1(2) . . . . ?
C3 C2 B6 B5 148.3(2) . . . . ?
C3 C2 B6 B10 -148.2(2) . . . . ?
C3 C2 B6 B11 -108.5(2) . . . . ?
C3 C2 B7 Ru3 -99.7(2) . . . . ?
C3 C2 B7 B8 -155.2(2) . . . . ?
C3 C2 B7 B11 103.2(3) . . . . ?
C3 C2 B7 B12 142.4(2) . . . . ?
C3 C2 B11 B6 100.4(3) . . . . ?
C3 C2 B11 B7 -118.3(3) . . . . ?
C3 C2 B11 B10 139.8(2) . . . . ?
C3 C2 B11 B12 -157.3(2) . . . . ?
C3 C4 C5 C6 -0.1(5) . . . . ?
Ru3 C1 C2 C3 102.4(2) . . . . ?
Ru3 C1 C2 B6 -158.43(17) . . . . ?
Ru3 C1 C2 B7 -53.64(15) . . . . ?
Ru3 C1 C2 B11 -121.06(19) . . . . ?
Ru3 C1 B4 B5 156.76(17) . . . . ?
Ru3 C1 B4 B8 55.79(16) . . . . ?
Ru3 C1 B4 B9 117.6(2) . . . . ?
Ru3 C1 B5 B4 -26.3(2) . . . . ?
Ru3 C1 B5 B6 115.8(2) . . . . ?
Ru3 C1 B5 B9 13.4(3) . . . . ?
Ru3 C1 B5 B10 76.4(3) . . . . ?
Ru3 C1 B6 C2 25.14(19) . . . . ?
Ru3 C1 B6 B5 -113.4(2) . . . . ?
Ru3 C1 B6 B10 -73.5(3) . . . . ?
Ru3 C1 B6 B11 -10.2(3) . . . . ?
Ru3 C1 C6 C5 -75.6(2) . . . . ?
Ru3 C2 C3 C4 75.8(2) . . . . ?
Ru3 C2 B6 C1 -24.95(19) . . . . ?
Ru3 C2 B6 B5 11.2(3) . . . . ?
Ru3 C2 B6 B10 74.7(2) . . . . ?
Ru3 C2 B6 B11 114.4(2) . . . . ?
Ru3 C2 B7 B8 -55.51(15) . . . . ?
Ru3 C2 B7 B11 -157.07(19) . . . . ?
Ru3 C2 B7 B12 -117.9(2) . . . . ?
Ru3 C2 B11 B6 -115.2(2) . . . . ?
Ru3 C2 B11 B7 26.1(2) . . . . ?
Ru3 C2 B11 B10 -75.8(3) . . . . ?
Ru3 C2 B11 B12 -12.8(3) . . . . ?
Ru3 B4 B5 C1 25.80(19) . . . . ?
Ru3 B4 B5 B6 -8.5(3) . . . . ?
Ru3 B4 B5 B9 -109.1(2) . . . . ?
Ru3 B4 B5 B10 -72.3(3) . . . . ?
Ru3 B4 B8 B7 54.75(16) . . . . ?
Ru3 B4 B8 B9 154.65(19) . . . . ?
Ru3 B4 B8 B12 115.8(2) . . . . ?
Ru3 B4 B9 B5 112.2(2) . . . . ?
Ru3 B4 B9 B8 -27.2(2) . . . . ?
Ru3 B4 B9 B10 75.6(3) . . . . ?
Ru3 B4 B9 B12 12.2(3) . . . . ?
Ru3 B7 B8 B4 -54.44(15) . . . . ?
Ru3 B7 B8 B9 -115.8(2) . . . . ?
Ru3 B7 B8 B12 -154.30(19) . . . . ?
Ru3 B7 B11 C2 -25.4(2) . . . . ?
Ru3 B7 B11 B6 9.6(3) . . . . ?
Ru3 B7 B11 B10 73.2(3) . . . . ?
Ru3 B7 B11 B12 109.8(2) . . . . ?
Ru3 B7 B12 B8 27.8(2) . . . . ?
Ru3 B7 B12 B9 -11.6(3) . . . . ?
Ru3 B7 B12 B10 -75.5(3) . . . . ?
Ru3 B7 B12 B11 -112.1(2) . . . . ?
Ru3 B8 B9 B4 26.6(2) . . . . ?
Ru3 B8 B9 B5 -10.3(3) . . . . ?
Ru3 B8 B9 B10 -74.6(3) . . . . ?
Ru3 B8 B9 B12 -109.1(2) . . . . ?
Ru3 B8 B12 B7 -27.1(2) . . . . ?
Ru3 B8 B12 B9 109.0(2) . . . . ?
Ru3 B8 B12 B10 74.3(3) . . . . ?
Ru3 B8 B12 B11 9.8(3) . . . . ?
B4 C1 C2 C3 155.9(2) . . . . ?
B4 C1 C2 Ru3 53.48(16) . . . . ?
B4 C1 C2 B6 -104.9(2) . . . . ?
B4 C1 C2 B7 -0.2(3) . . . . ?
B4 C1 C2 B11 -67.6(2) . . . . ?
B4 C1 B5 B6 142.0(2) . . . . ?
B4 C1 B5 B9 39.7(2) . . . . ?
B4 C1 B5 B10 102.7(2) . . . . ?
B4 C1 B6 C2 102.5(2) . . . . ?
B4 C1 B6 B5 -36.1(2) . . . . ?
B4 C1 B6 B10 3.8(3) . . . . ?
B4 C1 B6 B11 67.2(3) . . . . ?
B4 C1 C6 C5 -151.7(2) . . . . ?
B4 B5 B6 C1 33.8(2) . . . . ?
B4 B5 B6 C2 -1.3(3) . . . . ?
B4 B5 B6 B10 -101.5(2) . . . . ?
B4 B5 B6 B11 -63.0(3) . . . . ?
B4 B5 B9 B8 37.6(2) . . . . ?
B4 B5 B9 B10 139.3(2) . . . . ?
B4 B5 B9 B12 101.1(2) . . . . ?
B4 B5 B10 B6 101.4(2) . . . . ?
B4 B5 B10 B9 -36.8(2) . . . . ?
B4 B5 B10 B11 64.1(3) . . . . ?
B4 B5 B10 B12 1.4(3) . . . . ?
B4 B8 B9 B5 -36.9(2) . . . . ?
B4 B8 B9 B10 -101.2(2) . . . . ?
B4 B8 B9 B12 -135.7(2) . . . . ?
B4 B8 B12 B7 -97.6(2) . . . . ?
B4 B8 B12 B9 38.5(2) . . . . ?
B4 B8 B12 B10 3.8(3) . . . . ?
B4 B8 B12 B11 -60.7(3) . . . . ?
B4 B9 B10 B5 36.7(2) . . . . ?
B4 B9 B10 B6 -0.1(3) . . . . ?
B4 B9 B10 B11 -62.6(3) . . . . ?
B4 B9 B10 B12 -100.3(2) . . . . ?
B4 B9 B12 B7 -0.3(3) . . . . ?
B4 B9 B12 B8 -40.3(2) . . . . ?
B4 B9 B12 B10 101.7(2) . . . . ?
B4 B9 B12 B11 63.8(3) . . . . ?
C4 C5 C6 C1 -0.6(4) . . . . ?
B5 C1 C2 C3 -137.1(2) . . . . ?
B5 C1 C2 Ru3 120.57(19) . . . . ?
B5 C1 C2 B6 -37.9(2) . . . . ?
B5 C1 C2 B7 66.9(2) . . . . ?
B5 C1 C2 B11 -0.5(3) . . . . ?
B5 C1 B4 Ru3 -156.76(17) . . . . ?
B5 C1 B4 B8 -101.0(2) . . . . ?
B5 C1 B4 B9 -39.2(2) . . . . ?
B5 C1 B6 C2 138.6(2) . . . . ?
B5 C1 B6 B10 39.9(2) . . . . ?
B5 C1 B6 B11 103.3(2) . . . . ?
B5 C1 C6 C5 135.1(2) . . . . ?
B5 B4 B8 Ru3 -118.6(2) . . . . ?
B5 B4 B8 B7 -63.9(2) . . . . ?
B5 B4 B8 B9 36.0(2) . . . . ?
B5 B4 B8 B12 -2.9(3) . . . . ?
B5 B4 B9 B8 -139.4(2) . . . . ?
B5 B4 B9 B10 -36.6(2) . . . . ?
B5 B4 B9 B12 -100.0(2) . . . . ?
B5 B6 B10 B9 37.0(2) . . . . ?
B5 B6 B10 B11 137.5(2) . . . . ?
B5 B6 B10 B12 100.1(2) . . . . ?
B5 B6 B11 C2 96.7(2) . . . . ?
B5 B6 B11 B7 62.3(3) . . . . ?
B5 B6 B11 B10 -38.6(2) . . . . ?
B5 B6 B11 B12 -0.8(3) . . . . ?
B5 B9 B10 B6 -36.7(2) . . . . ?
B5 B9 B10 B11 -99.3(2) . . . . ?
B5 B9 B10 B12 -136.9(2) . . . . ?
B5 B9 B12 B7 -63.7(3) . . . . ?
B5 B9 B12 B8 -103.7(2) . . . . ?
B5 B9 B12 B10 38.2(2) . . . . ?
B5 B9 B12 B11 0.4(3) . . . . ?
B5 B10 B11 C2 -2.4(3) . . . . ?
B5 B10 B11 B6 37.2(2) . . . . ?
B5 B10 B11 B7 -64.3(3) . . . . ?
B5 B10 B11 B12 -100.5(2) . . . . ?
B5 B10 B12 B7 62.6(3) . . . . ?
B5 B10 B12 B8 -3.3(3) . . . . ?
B5 B10 B12 B9 -38.1(2) . . . . ?
B5 B10 B12 B11 99.5(2) . . . . ?
B6 C1 C2 C3 -99.2(2) . . . . ?
B6 C1 C2 Ru3 158.43(17) . . . . ?
B6 C1 C2 B7 104.8(2) . . . . ?
B6 C1 C2 B11 37.4(2) . . . . ?
B6 C1 B4 Ru3 -121.34(19) . . . . ?
B6 C1 B4 B5 35.4(2) . . . . ?
B6 C1 B4 B8 -65.5(2) . . . . ?
B6 C1 B4 B9 -3.8(3) . . . . ?
B6 C1 B5 B4 -142.0(2) . . . . ?
B6 C1 B5 B9 -102.4(2) . . . . ?
B6 C1 B5 B10 -39.4(2) . . . . ?
B6 C1 C6 C5 68.9(3) . . . . ?
B6 C2 C3 C4 -68.0(3) . . . . ?
B6 C2 B7 Ru3 120.9(2) . . . . ?
B6 C2 B7 B8 65.4(2) . . . . ?
B6 C2 B7 B11 -36.2(2) . . . . ?
B6 C2 B7 B12 3.0(3) . . . . ?
B6 C2 B11 B7 141.3(2) . . . . ?
B6 C2 B11 B10 39.4(2) . . . . ?
B6 C2 B11 B12 102.3(2) . . . . ?
B6 B5 B9 B4 -102.0(2) . . . . ?
B6 B5 B9 B8 -64.4(3) . . . . ?
B6 B5 B9 B10 37.3(2) . . . . ?
B6 B5 B9 B12 -0.9(3) . . . . ?
B6 B5 B10 B9 -138.3(2) . . . . ?
B6 B5 B10 B11 -37.4(2) . . . . ?
B6 B5 B10 B12 -100.0(2) . . . . ?
B6 B10 B11 C2 -39.64(19) . . . . ?
B6 B10 B11 B7 -101.5(2) . . . . ?
B6 B10 B11 B12 -137.8(2) . . . . ?
B6 B10 B12 B7 0.3(3) . . . . ?
B6 B10 B12 B8 -65.5(3) . . . . ?
B6 B10 B12 B9 -100.3(2) . . . . ?
B6 B10 B12 B11 37.2(2) . . . . ?
B6 B11 B12 B7 101.8(2) . . . . ?
B6 B11 B12 B8 64.5(3) . . . . ?
B6 B11 B12 B9 0.2(3) . . . . ?
B6 B11 B12 B10 -37.6(2) . . . . ?
C6 C1 C2 C3 -0.4(3) . . . . ?
C6 C1 C2 Ru3 -102.8(2) . . . . ?
C6 C1 C2 B6 98.8(2) . . . . ?
C6 C1 C2 B7 -156.5(2) . . . . ?
C6 C1 C2 B11 136.1(2) . . . . ?
C6 C1 B4 Ru3 100.0(2) . . . . ?
C6 C1 B4 B5 -103.2(3) . . . . ?
C6 C1 B4 B8 155.8(2) . . . . ?
C6 C1 B4 B9 -142.4(2) . . . . ?
C6 C1 B5 B4 118.2(3) . . . . ?
C6 C1 B5 B6 -99.7(2) . . . . ?
C6 C1 B5 B9 157.9(2) . . . . ?
C6 C1 B5 B10 -139.1(2) . . . . ?
C6 C1 B6 C2 -112.6(2) . . . . ?
C6 C1 B6 B5 108.9(2) . . . . ?
C6 C1 B6 B10 148.8(2) . . . . ?
C6 C1 B6 B11 -147.9(2) . . . . ?
B7 C2 C3 C4 152.0(2) . . . . ?
B7 C2 B6 C1 -102.4(2) . . . . ?
B7 C2 B6 B5 -66.3(3) . . . . ?
B7 C2 B6 B10 -2.8(3) . . . . ?
B7 C2 B6 B11 36.9(2) . . . . ?
B7 C2 B11 B6 -141.3(2) . . . . ?
B7 C2 B11 B10 -101.9(2) . . . . ?
B7 C2 B11 B12 -39.0(2) . . . . ?
B7 B8 B9 B4 97.7(2) . . . . ?
B7 B8 B9 B5 60.7(3) . . . . ?
B7 B8 B9 B10 -3.5(3) . . . . ?
B7 B8 B9 B12 -38.0(2) . . . . ?
B7 B8 B12 B9 136.1(2) . . . . ?
B7 B8 B12 B10 101.4(2) . . . . ?
B7 B8 B12 B11 36.9(2) . . . . ?
B7 B11 B12 B8 -37.3(2) . . . . ?
B7 B11 B12 B9 -101.5(2) . . . . ?
B7 B11 B12 B10 -139.4(2) . . . . ?
B8 B4 B5 C1 99.0(2) . . . . ?
B8 B4 B5 B6 64.7(3) . . . . ?
B8 B4 B5 B9 -35.9(2) . . . . ?
B8 B4 B5 B10 0.9(3) . . . . ?
B8 B4 B9 B5 139.4(2) . . . . ?
B8 B4 B9 B10 102.8(3) . . . . ?
B8 B4 B9 B12 39.4(2) . . . . ?
B8 B7 B11 C2 -99.3(2) . . . . ?
B8 B7 B11 B6 -64.2(3) . . . . ?
B8 B7 B11 B10 -0.6(3) . . . . ?
B8 B7 B11 B12 36.0(2) . . . . ?
B8 B7 B12 B9 -39.4(2) . . . . ?
B8 B7 B12 B10 -103.2(2) . . . . ?
B8 B7 B12 B11 -139.8(2) . . . . ?
B8 B9 B10 B5 102.5(2) . . . . ?
B8 B9 B10 B6 65.7(3) . . . . ?
B8 B9 B10 B11 3.2(3) . . . . ?
B8 B9 B10 B12 -34.5(2) . . . . ?
B8 B9 B12 B7 40.0(2) . . . . ?
B8 B9 B12 B10 142.0(2) . . . . ?
B8 B9 B12 B11 104.1(2) . . . . ?
B9 B4 B5 C1 134.9(2) . . . . ?
B9 B4 B5 B6 100.6(2) . . . . ?
B9 B4 B5 B10 36.8(2) . . . . ?
B9 B4 B8 Ru3 -154.65(19) . . . . ?
B9 B4 B8 B7 -99.9(2) . . . . ?
B9 B4 B8 B12 -38.9(2) . . . . ?
B9 B5 B6 C1 97.8(2) . . . . ?
B9 B5 B6 C2 62.8(3) . . . . ?
B9 B5 B6 B10 -37.5(2) . . . . ?
B9 B5 B6 B11 1.1(3) . . . . ?
B9 B5 B10 B6 138.3(2) . . . . ?
B9 B5 B10 B11 100.9(2) . . . . ?
B9 B5 B10 B12 38.3(2) . . . . ?
B9 B8 B12 B7 -136.1(2) . . . . ?
B9 B8 B12 B10 -34.7(2) . . . . ?
B9 B8 B12 B11 -99.2(2) . . . . ?
B9 B10 B11 C2 60.4(3) . . . . ?
B9 B10 B11 B6 100.0(2) . . . . ?
B9 B10 B11 B7 -1.5(3) . . . . ?
B9 B10 B11 B12 -37.8(2) . . . . ?
B9 B10 B12 B7 100.7(2) . . . . ?
B9 B10 B12 B8 34.8(2) . . . . ?
B9 B10 B12 B11 137.6(2) . . . . ?
B10 B5 B6 C1 135.3(2) . . . . ?
B10 B5 B6 C2 100.2(2) . . . . ?
B10 B5 B6 B11 38.5(2) . . . . ?
B10 B5 B9 B4 -139.3(2) . . . . ?
B10 B5 B9 B8 -101.7(3) . . . . ?
B10 B5 B9 B12 -38.2(2) . . . . ?
B10 B6 B11 C2 135.3(2) . . . . ?
B10 B6 B11 B7 100.9(2) . . . . ?
B10 B6 B11 B12 37.8(2) . . . . ?
B10 B9 B12 B7 -102.0(2) . . . . ?
B10 B9 B12 B8 -142.0(2) . . . . ?
B10 B9 B12 B11 -37.8(2) . . . . ?
B10 B11 B12 B7 139.4(2) . . . . ?
B10 B11 B12 B8 102.1(2) . . . . ?
B10 B11 B12 B9 37.87(19) . . . . ?
B11 C2 C3 C4 -134.6(2) . . . . ?
B11 C2 B6 C1 -139.3(2) . . . . ?
B11 C2 B6 B5 -103.2(2) . . . . ?
B11 C2 B6 B10 -39.7(2) . . . . ?
B11 C2 B7 Ru3 157.07(19) . . . . ?
B11 C2 B7 B8 101.6(2) . . . . ?
B11 C2 B7 B12 39.1(2) . . . . ?
B11 B6 B10 B5 -137.5(2) . . . . ?
B11 B6 B10 B9 -100.5(2) . . . . ?
B11 B6 B10 B12 -37.4(2) . . . . ?
B11 B7 B8 Ru3 118.3(2) . . . . ?
B11 B7 B8 B4 63.9(2) . . . . ?
B11 B7 B8 B9 2.5(3) . . . . ?
B11 B7 B8 B12 -36.0(2) . . . . ?
B11 B7 B12 B8 139.8(2) . . . . ?
B11 B7 B12 B9 100.4(2) . . . . ?
B11 B7 B12 B10 36.6(2) . . . . ?
B11 B10 B12 B7 -36.9(2) . . . . ?
B11 B10 B12 B8 -102.8(2) . . . . ?
B11 B10 B12 B9 -137.6(2) . . . . ?
B12 B7 B8 Ru3 154.30(19) . . . . ?
B12 B7 B8 B4 99.9(2) . . . . ?
B12 B7 B8 B9 38.5(2) . . . . ?
B12 B7 B11 C2 -135.2(2) . . . . ?
B12 B7 B11 B6 -100.2(3) . . . . ?
B12 B7 B11 B10 -36.6(2) . . . . ?
B12 B8 B9 B4 135.7(2) . . . . ?
B12 B8 B9 B5 98.7(3) . . . . ?
B12 B8 B9 B10 34.5(2) . . . . ?
B12 B9 B10 B5 136.9(2) . . . . ?
B12 B9 B10 B6 100.2(2) . . . . ?
B12 B9 B10 B11 37.6(2) . . . . ?
B12 B10 B11 C2 98.2(2) . . . . ?
B12 B10 B11 B6 137.8(2) . . . . ?
B12 B10 B11 B7 36.3(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5412
_database_code_depnum_ccdc_archive 'CCDC 1479549'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-06-07 downloaded from the CCDC.
;
_audit_creation_date             2016-03-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C11 H24 B9 O5 P Ru'
_chemical_formula_sum            'C11 H24 B9 O5 P Ru'
_chemical_formula_weight         465.63
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   7.8271(4)
_cell_length_b                   15.8356(7)
_cell_length_c                   7.9871(4)
_cell_angle_alpha                90
_cell_angle_beta                 95.617(3)
_cell_angle_gamma                90
_cell_volume                     985.22(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9933
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      33.630
_cell_measurement_theta_min      2.562
_shelx_estimated_absorpt_T_max   0.900
_shelx_estimated_absorpt_T_min   0.694
_exptl_absorpt_coefficient_mu    0.896
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_correction_T_min  0.6260
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0743 before and 0.0588 after correction.
The Ratio of minimum to maximum transmission is 0.8384.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_unetI/netI     0.0506
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            27954
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         34.026
_diffrn_reflns_theta_min         2.562
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.900
_reflns_Friedel_fraction_full    0.992
_reflns_Friedel_fraction_max     0.948
_reflns_number_gt                7393
_reflns_number_total             7823
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         2.641
_refine_diff_density_min         -2.088
_refine_diff_density_rms         0.142
_refine_ls_abs_structure_details 
;
 Flack x determined using 3221 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.034(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         7823
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0399
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0319P)²+2.0589P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0941
_refine_ls_wR_factor_ref         0.0952
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C6(H6A,H6B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4A), C5(H5A)
2.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3981(6) 0.3980(3) 0.4006(6) 0.0118(7) Uani 1 1 d . . . . .
P1 P 0.1873(2) 0.19828(9) 0.26837(19) 0.0097(2) Uani 1 1 d . . . . .
C2 C 0.5486(6) 0.4120(3) 0.2712(6) 0.0108(8) Uani 1 1 d . . . . .
C3 C 0.7332(6) 0.3851(3) 0.3294(6) 0.0138(8) Uani 1 1 d . . . . .
H3A H 0.7727 0.3452 0.2459 0.017 Uiso 1 1 calc R . . . .
H3B H 0.8081 0.4355 0.3315 0.017 Uiso 1 1 calc R . . . .
Ru3 Ru 0.38218(4) 0.29578(2) 0.19944(4) 0.00848(7) Uani 1 1 d . . . . .
B4 B 0.1949(10) 0.3904(5) 0.2920(9) 0.0187(14) Uani 1 1 d . . . . .
H4 H 0.099(9) 0.364(5) 0.366(9) 0.022 Uiso 1 1 d R . . . .
C4 C 0.7548(6) 0.3440(3) 0.5002(6) 0.0156(8) Uani 1 1 d . . . . .
H4A H 0.8661 0.3234 0.5375 0.019 Uiso 1 1 calc R . . . .
B5 B 0.2663(7) 0.4852(3) 0.3970(7) 0.0134(9) Uani 1 1 d . . . . .
H5 H 0.235(9) 0.494(4) 0.506(8) 0.016 Uiso 1 1 d R . . . .
C5 C 0.6322(6) 0.3335(3) 0.6053(6) 0.0156(8) Uani 1 1 d . . . . .
H5A H 0.6661 0.3068 0.7098 0.019 Uiso 1 1 calc R . . . .
B6 B 0.4885(7) 0.4980(3) 0.3886(7) 0.0133(9) Uani 1 1 d . . . . .
H6 H 0.596(9) 0.507(4) 0.478(8) 0.016 Uiso 1 1 d R . . . .
C6 C 0.4473(6) 0.3594(3) 0.5744(6) 0.0136(8) Uani 1 1 d . . . . .
H6A H 0.4224 0.4011 0.6612 0.016 Uiso 1 1 calc R . . . .
H6B H 0.3742 0.3093 0.5878 0.016 Uiso 1 1 calc R . . . .
B7 B 0.4636(7) 0.4147(3) 0.0659(7) 0.0116(8) Uani 1 1 d . . . . .
H7 H 0.534(8) 0.402(4) -0.010(8) 0.014 Uiso 1 1 d R . . . .
B8 B 0.2293(7) 0.4039(3) 0.0671(6) 0.0119(8) Uani 1 1 d . . . . .
H8 H 0.152(8) 0.386(4) -0.043(8) 0.014 Uiso 1 1 d R . . . .
B9 B 0.1633(7) 0.4915(4) 0.1913(7) 0.0142(9) Uani 1 1 d . . . . .
H9 H 0.047(9) 0.520(4) 0.168(8) 0.017 Uiso 1 1 d R . . . .
B10 B 0.3430(7) 0.5569(3) 0.2513(7) 0.0140(9) Uani 1 1 d . . . . .
H10 H 0.318(9) 0.622(4) 0.270(8) 0.017 Uiso 1 1 d R . . . .
C10 C 0.0600(7) 0.1464(3) 0.5540(7) 0.0204(10) Uani 1 1 d . . . . .
H10A H 0.0524 0.1719 0.6649 0.031 Uiso 1 1 calc GR . . . .
H10B H 0.0973 0.0876 0.5679 0.031 Uiso 1 1 calc GR . . . .
H10C H -0.0529 0.1484 0.4892 0.031 Uiso 1 1 calc GR . . . .
O10 O 0.1830(5) 0.1930(2) 0.4654(4) 0.0164(6) Uani 1 1 d . . . . .
B11 B 0.5268(7) 0.5095(3) 0.1770(7) 0.0134(9) Uani 1 1 d . . . . .
H11 H 0.662(9) 0.533(4) 0.126(8) 0.016 Uiso 1 1 d R . . . .
C11 C -0.0716(7) 0.2140(3) 0.0325(6) 0.0189(9) Uani 1 1 d . . . . .
H11A H -0.1964 0.2060 0.0185 0.028 Uiso 1 1 calc GR . . . .
H11B H -0.0165 0.1696 -0.0288 0.028 Uiso 1 1 calc GR . . . .
H11C H -0.0430 0.2693 -0.0118 0.028 Uiso 1 1 calc GR . . . .
O11 O -0.0116(4) 0.2094(2) 0.2075(4) 0.0147(6) Uani 1 1 d . . . . .
B12 B 0.3282(7) 0.5056(3) 0.0511(7) 0.0141(9) Uani 1 1 d . . . . .
H12 H 0.315(9) 0.538(4) -0.063(9) 0.017 Uiso 1 1 d R . . . .
C12 C 0.1340(7) 0.0322(3) 0.2077(7) 0.0198(10) Uani 1 1 d . . . . .
H12A H 0.1638 0.0053 0.3171 0.030 Uiso 1 1 calc GR . . . .
H12B H 0.1589 -0.0066 0.1177 0.030 Uiso 1 1 calc GR . . . .
H12C H 0.0116 0.0464 0.1955 0.030 Uiso 1 1 calc GR . . . .
O12 O 0.2344(5) 0.1087(2) 0.1969(5) 0.0168(7) Uani 1 1 d . . . . .
C31 C 0.5464(6) 0.2118(3) 0.2923(6) 0.0127(8) Uani 1 1 d . . . . .
O31 O 0.6397(5) 0.1599(2) 0.3399(5) 0.0202(7) Uani 1 1 d . . . . .
C32 C 0.3784(6) 0.2438(3) -0.0129(6) 0.0138(8) Uani 1 1 d . . . . .
O32 O 0.3717(6) 0.2169(2) -0.1470(5) 0.0224(8) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1 C2 1.657(6) . ?
C1 Ru3 2.275(4) . ?
C1 B4 1.739(9) . ?
C1 B5 1.723(7) . ?
C1 B6 1.741(7) . ?
C1 C6 1.531(6) . ?
P1 Ru3 2.2756(15) . ?
P1 O10 1.580(4) . ?
P1 O11 1.594(4) . ?
P1 O12 1.586(4) . ?
C2 C3 1.534(7) . ?
C2 Ru3 2.295(5) . ?
C2 B6 1.743(7) . ?
C2 B7 1.709(7) . ?
C2 B11 1.718(7) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.506(7) . ?
Ru3 B4 2.270(8) . ?
Ru3 B7 2.285(5) . ?
Ru3 B8 2.287(5) . ?
Ru3 C31 1.946(5) . ?
Ru3 C32 1.883(5) . ?
B4 H4 1.08(8) . ?
B4 B5 1.783(10) . ?
B4 B8 1.855(9) . ?
B4 B9 1.798(10) . ?
C4 H4A 0.9500 . ?
C4 C5 1.346(7) . ?
B5 H5 0.94(7) . ?
B5 B6 1.759(8) . ?
B5 B9 1.761(8) . ?
B5 B10 1.772(8) . ?
C5 H5A 0.9500 . ?
C5 C6 1.501(7) . ?
B6 H6 1.06(7) . ?
B6 B10 1.768(7) . ?
B6 B11 1.755(7) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
B7 H7 0.88(7) . ?
B7 B8 1.843(7) . ?
B7 B11 1.789(7) . ?
B7 B12 1.784(7) . ?
B8 H8 1.05(6) . ?
B8 B9 1.810(8) . ?
B8 B12 1.797(7) . ?
B9 H9 1.02(7) . ?
B9 B10 1.774(8) . ?
B9 B12 1.803(8) . ?
B10 H10 1.06(7) . ?
B10 B11 1.775(8) . ?
B10 B12 1.787(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10 O10 1.451(6) . ?
B11 H11 1.22(7) . ?
B11 B12 1.768(8) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11 O11 1.432(6) . ?
B12 H12 1.04(7) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C12 O12 1.451(6) . ?
C31 O31 1.139(6) . ?
C32 O32 1.149(6) . ?

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
C2 C1 Ru3 69.4(2) . . ?
C2 C1 B4 111.7(4) . . ?
C2 C1 B5 110.1(3) . . ?
C2 C1 B6 61.7(3) . . ?
B4 C1 Ru3 67.3(3) . . ?
B4 C1 B6 113.1(4) . . ?
B5 C1 Ru3 124.6(3) . . ?
B5 C1 B4 62.0(4) . . ?
B5 C1 B6 61.0(3) . . ?
B6 C1 Ru3 127.1(3) . . ?
C6 C1 C2 119.2(4) . . ?
C6 C1 Ru3 110.4(3) . . ?
C6 C1 B4 124.1(4) . . ?
C6 C1 B5 115.6(4) . . ?
C6 C1 B6 110.1(4) . . ?
O10 P1 Ru3 110.93(15) . . ?
O10 P1 O11 101.2(2) . . ?
O10 P1 O12 109.9(2) . . ?
O11 P1 Ru3 120.58(15) . . ?
O12 P1 Ru3 109.55(16) . . ?
O12 P1 O11 104.1(2) . . ?
C1 C2 Ru3 68.1(2) . . ?
C1 C2 B6 61.5(3) . . ?
C1 C2 B7 111.6(3) . . ?
C1 C2 B11 110.3(4) . . ?
C3 C2 C1 118.7(4) . . ?
C3 C2 Ru3 110.3(3) . . ?
C3 C2 B6 110.5(4) . . ?
C3 C2 B7 124.4(4) . . ?
C3 C2 B11 115.6(4) . . ?
B6 C2 Ru3 125.7(3) . . ?
B7 C2 Ru3 67.8(2) . . ?
B7 C2 B6 113.4(4) . . ?
B7 C2 B11 62.9(3) . . ?
B11 C2 Ru3 125.6(3) . . ?
B11 C2 B6 60.9(3) . . ?
C2 C3 H3A 108.7 . . ?
C2 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C4 C3 C2 114.4(4) . . ?
C4 C3 H3A 108.7 . . ?
C4 C3 H3B 108.7 . . ?
C1 Ru3 P1 107.66(12) . . ?
C1 Ru3 C2 42.50(17) . . ?
C1 Ru3 B7 75.23(17) . . ?
C1 Ru3 B8 77.53(17) . . ?
P1 Ru3 C2 149.46(12) . . ?
P1 Ru3 B7 153.66(14) . . ?
P1 Ru3 B8 106.66(14) . . ?
B4 Ru3 C1 45.0(2) . . ?
B4 Ru3 P1 84.22(19) . . ?
B4 Ru3 C2 76.0(2) . . ?
B4 Ru3 B7 80.0(2) . . ?
B4 Ru3 B8 48.0(2) . . ?
B7 Ru3 C2 43.81(17) . . ?
B7 Ru3 B8 47.54(18) . . ?
B8 Ru3 C2 76.92(18) . . ?
C31 Ru3 C1 103.23(18) . . ?
C31 Ru3 P1 82.96(15) . . ?
C31 Ru3 C2 96.6(2) . . ?
C31 Ru3 B4 138.7(2) . . ?
C31 Ru3 B7 122.49(19) . . ?
C31 Ru3 B8 169.76(19) . . ?
C32 Ru3 C1 160.39(17) . . ?
C32 Ru3 P1 88.25(14) . . ?
C32 Ru3 C2 122.28(18) . . ?
C32 Ru3 B4 128.9(2) . . ?
C32 Ru3 B7 85.43(19) . . ?
C32 Ru3 B8 87.10(19) . . ?
C32 Ru3 C31 89.8(2) . . ?
C1 B4 Ru3 67.7(3) . . ?
C1 B4 H4 114(4) . . ?
C1 B4 B5 58.5(3) . . ?
C1 B4 B8 105.2(5) . . ?
C1 B4 B9 103.9(5) . . ?
Ru3 B4 H4 116(4) . . ?
B5 B4 Ru3 121.8(4) . . ?
B5 B4 H4 105(4) . . ?
B5 B4 B8 106.9(5) . . ?
B5 B4 B9 58.9(4) . . ?
B8 B4 Ru3 66.5(3) . . ?
B8 B4 H4 138(4) . . ?
B9 B4 Ru3 120.4(4) . . ?
B9 B4 H4 121(4) . . ?
B9 B4 B8 59.4(3) . . ?
C3 C4 H4A 116.8 . . ?
C5 C4 C3 126.5(4) . . ?
C5 C4 H4A 116.8 . . ?
C1 B5 B4 59.5(3) . . ?
C1 B5 H5 108(4) . . ?
C1 B5 B6 60.0(3) . . ?
C1 B5 B9 106.2(4) . . ?
C1 B5 B10 106.5(4) . . ?
B4 B5 H5 117(4) . . ?
B6 B5 B4 110.2(4) . . ?
B6 B5 H5 112(4) . . ?
B6 B5 B9 108.8(4) . . ?
B6 B5 B10 60.1(3) . . ?
B9 B5 B4 61.0(3) . . ?
B9 B5 H5 136(4) . . ?
B9 B5 B10 60.3(3) . . ?
B10 B5 B4 110.0(4) . . ?
B10 B5 H5 131(4) . . ?
C4 C5 H5A 116.6 . . ?
C4 C5 C6 126.8(4) . . ?
C6 C5 H5A 116.6 . . ?
C1 B6 C2 56.8(3) . . ?
C1 B6 B5 59.0(3) . . ?
C1 B6 H6 113(4) . . ?
C1 B6 B10 105.9(4) . . ?
C1 B6 B11 104.8(3) . . ?
C2 B6 B5 104.5(3) . . ?
C2 B6 H6 103(4) . . ?
C2 B6 B10 105.6(4) . . ?
C2 B6 B11 58.8(3) . . ?
B5 B6 H6 136(4) . . ?
B5 B6 B10 60.3(3) . . ?
B10 B6 H6 140(4) . . ?
B11 B6 B5 108.1(4) . . ?
B11 B6 H6 116(4) . . ?
B11 B6 B10 60.5(3) . . ?
C1 C6 H6A 108.7 . . ?
C1 C6 H6B 108.7 . . ?
C5 C6 C1 114.3(4) . . ?
C5 C6 H6A 108.7 . . ?
C5 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
C2 B7 Ru3 68.4(2) . . ?
C2 B7 H7 116(4) . . ?
C2 B7 B8 106.7(3) . . ?
C2 B7 B11 58.8(3) . . ?
C2 B7 B12 104.9(4) . . ?
Ru3 B7 H7 111(4) . . ?
B8 B7 Ru3 66.3(2) . . ?
B8 B7 H7 133(4) . . ?
B11 B7 Ru3 122.4(3) . . ?
B11 B7 H7 111(4) . . ?
B11 B7 B8 107.6(4) . . ?
B12 B7 Ru3 120.3(3) . . ?
B12 B7 H7 123(4) . . ?
B12 B7 B8 59.4(3) . . ?
B12 B7 B11 59.3(3) . . ?
Ru3 B8 H8 115(4) . . ?
B4 B8 Ru3 65.5(3) . . ?
B4 B8 H8 130(4) . . ?
B7 B8 Ru3 66.2(2) . . ?
B7 B8 B4 104.8(4) . . ?
B7 B8 H8 121(4) . . ?
B9 B8 Ru3 119.0(3) . . ?
B9 B8 B4 58.8(4) . . ?
B9 B8 B7 105.6(3) . . ?
B9 B8 H8 119(4) . . ?
B12 B8 Ru3 119.6(3) . . ?
B12 B8 B4 106.1(4) . . ?
B12 B8 B7 58.7(3) . . ?
B12 B8 H8 113(4) . . ?
B12 B8 B9 60.0(3) . . ?
B4 B9 B8 61.9(4) . . ?
B4 B9 H9 124(4) . . ?
B4 B9 B12 108.2(4) . . ?
B5 B9 B4 60.1(3) . . ?
B5 B9 B8 109.8(4) . . ?
B5 B9 H9 121(4) . . ?
B5 B9 B10 60.2(3) . . ?
B5 B9 B12 107.3(4) . . ?
B8 B9 H9 122(4) . . ?
B10 B9 B4 109.2(4) . . ?
B10 B9 B8 109.5(4) . . ?
B10 B9 H9 118(4) . . ?
B10 B9 B12 59.9(3) . . ?
B12 B9 B8 59.6(3) . . ?
B12 B9 H9 121(4) . . ?
B5 B10 B9 59.5(3) . . ?
B5 B10 H10 117(4) . . ?
B5 B10 B11 106.7(4) . . ?
B5 B10 B12 107.5(4) . . ?
B6 B10 B5 59.6(3) . . ?
B6 B10 B9 107.8(4) . . ?
B6 B10 H10 123(4) . . ?
B6 B10 B11 59.4(3) . . ?
B6 B10 B12 107.3(4) . . ?
B9 B10 H10 117(4) . . ?
B9 B10 B11 108.1(4) . . ?
B9 B10 B12 60.8(3) . . ?
B11 B10 H10 129(4) . . ?
B11 B10 B12 59.5(3) . . ?
B12 B10 H10 125(4) . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O10 C10 H10A 109.5 . . ?
O10 C10 H10B 109.5 . . ?
O10 C10 H10C 109.5 . . ?
C10 O10 P1 126.3(3) . . ?
C2 B11 B6 60.2(3) . . ?
C2 B11 B7 58.3(3) . . ?
C2 B11 B10 106.4(4) . . ?
C2 B11 H11 111(3) . . ?
C2 B11 B12 105.2(4) . . ?
B6 B11 B7 109.0(4) . . ?
B6 B11 B10 60.1(3) . . ?
B6 B11 H11 126(3) . . ?
B6 B11 B12 108.7(4) . . ?
B7 B11 H11 107(3) . . ?
B10 B11 B7 109.1(4) . . ?
B10 B11 H11 137(3) . . ?
B12 B11 B7 60.2(3) . . ?
B12 B11 B10 60.6(3) . . ?
B12 B11 H11 124(3) . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O11 C11 H11A 109.5 . . ?
O11 C11 H11B 109.5 . . ?
O11 C11 H11C 109.5 . . ?
C11 O11 P1 121.4(3) . . ?
B7 B12 B8 61.9(3) . . ?
B7 B12 B9 108.4(4) . . ?
B7 B12 B10 108.7(4) . . ?
B7 B12 H12 118(4) . . ?
B8 B12 B9 60.4(3) . . ?
B8 B12 H12 120(4) . . ?
B9 B12 H12 126(4) . . ?
B10 B12 B8 109.5(4) . . ?
B10 B12 B9 59.2(3) . . ?
B10 B12 H12 124(4) . . ?
B11 B12 B7 60.5(3) . . ?
B11 B12 B8 110.6(4) . . ?
B11 B12 B9 107.1(4) . . ?
B11 B12 B10 59.9(3) . . ?
B11 B12 H12 119(4) . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O12 C12 H12A 109.5 . . ?
O12 C12 H12B 109.5 . . ?
O12 C12 H12C 109.5 . . ?
C12 O12 P1 125.4(4) . . ?
O31 C31 Ru3 176.5(5) . . ?
O32 C32 Ru3 175.5(4) . . ?

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
C1 C2 C3 C4 2.8(6) . . . . ?
C1 C2 B6 B5 -36.3(3) . . . . ?
C1 C2 B6 B10 -99.0(4) . . . . ?
C1 C2 B6 B11 -138.9(4) . . . . ?
C1 C2 B7 Ru3 -53.5(3) . . . . ?
C1 C2 B7 B8 1.8(5) . . . . ?
C1 C2 B7 B11 102.6(4) . . . . ?
C1 C2 B7 B12 63.7(4) . . . . ?
C1 C2 B11 B6 38.0(3) . . . . ?
C1 C2 B11 B7 -104.6(4) . . . . ?
C1 C2 B11 B10 -1.9(5) . . . . ?
C1 C2 B11 B12 -65.2(4) . . . . ?
C1 B4 B5 B6 33.4(4) . . . . ?
C1 B4 B5 B9 134.3(4) . . . . ?
C1 B4 B5 B10 97.8(4) . . . . ?
C1 B4 B8 Ru3 56.8(4) . . . . ?
C1 B4 B8 B7 2.2(5) . . . . ?
C1 B4 B8 B9 -97.4(5) . . . . ?
C1 B4 B8 B12 -58.9(5) . . . . ?
C1 B4 B9 B5 -39.0(4) . . . . ?
C1 B4 B9 B8 99.7(5) . . . . ?
C1 B4 B9 B10 -2.8(6) . . . . ?
C1 B4 B9 B12 60.9(5) . . . . ?
C1 B5 B6 C2 35.3(3) . . . . ?
C1 B5 B6 B10 135.2(4) . . . . ?
C1 B5 B6 B11 96.7(4) . . . . ?
C1 B5 B9 B4 40.0(4) . . . . ?
C1 B5 B9 B8 1.7(5) . . . . ?
C1 B5 B9 B10 -100.0(4) . . . . ?
C1 B5 B9 B12 -61.5(4) . . . . ?
C1 B5 B10 B6 -39.5(3) . . . . ?
C1 B5 B10 B9 99.6(4) . . . . ?
C1 B5 B10 B11 -1.9(5) . . . . ?
C1 B5 B10 B12 60.7(4) . . . . ?
C1 B6 B10 B5 38.9(3) . . . . ?
C1 B6 B10 B9 2.5(5) . . . . ?
C1 B6 B10 B11 -98.4(4) . . . . ?
C1 B6 B10 B12 -61.6(4) . . . . ?
C1 B6 B11 C2 -34.6(3) . . . . ?
C1 B6 B11 B7 -1.5(5) . . . . ?
C1 B6 B11 B10 100.1(4) . . . . ?
C1 B6 B11 B12 62.5(4) . . . . ?
C2 C1 B4 Ru3 54.8(3) . . . . ?
C2 C1 B4 B5 -101.9(4) . . . . ?
C2 C1 B4 B8 -1.2(6) . . . . ?
C2 C1 B4 B9 -62.8(5) . . . . ?
C2 C1 B5 B4 104.6(4) . . . . ?
C2 C1 B5 B6 -38.8(3) . . . . ?
C2 C1 B5 B9 63.9(4) . . . . ?
C2 C1 B5 B10 0.8(5) . . . . ?
C2 C1 B6 B5 138.1(4) . . . . ?
C2 C1 B6 B10 98.6(4) . . . . ?
C2 C1 B6 B11 35.6(3) . . . . ?
C2 C1 C6 C5 -3.3(6) . . . . ?
C2 C3 C4 C5 -3.7(7) . . . . ?
C2 B6 B10 B5 98.1(4) . . . . ?
C2 B6 B10 B9 61.7(5) . . . . ?
C2 B6 B10 B11 -39.2(3) . . . . ?
C2 B6 B10 B12 -2.4(5) . . . . ?
C2 B6 B11 B7 33.1(3) . . . . ?
C2 B6 B11 B10 134.7(4) . . . . ?
C2 B6 B11 B12 97.2(4) . . . . ?
C2 B7 B8 Ru3 -56.6(3) . . . . ?
C2 B7 B8 B4 -2.4(5) . . . . ?
C2 B7 B8 B9 58.7(4) . . . . ?
C2 B7 B8 B12 97.7(4) . . . . ?
C2 B7 B11 B6 -33.9(3) . . . . ?
C2 B7 B11 B10 -97.9(4) . . . . ?
C2 B7 B11 B12 -135.1(4) . . . . ?
C2 B7 B12 B8 -100.8(4) . . . . ?
C2 B7 B12 B9 -61.0(4) . . . . ?
C2 B7 B12 B10 1.8(5) . . . . ?
C2 B7 B12 B11 38.7(3) . . . . ?
C2 B11 B12 B7 -38.5(3) . . . . ?
C2 B11 B12 B8 -0.7(5) . . . . ?
C2 B11 B12 B9 63.4(4) . . . . ?
C2 B11 B12 B10 100.5(4) . . . . ?
C3 C2 B6 C1 -112.4(4) . . . . ?
C3 C2 B6 B5 -148.6(4) . . . . ?
C3 C2 B6 B10 148.7(4) . . . . ?
C3 C2 B6 B11 108.7(4) . . . . ?
C3 C2 B7 Ru3 100.1(4) . . . . ?
C3 C2 B7 B8 155.4(4) . . . . ?
C3 C2 B7 B11 -103.8(5) . . . . ?
C3 C2 B7 B12 -142.7(4) . . . . ?
C3 C2 B11 B6 -100.2(4) . . . . ?
C3 C2 B11 B7 117.2(4) . . . . ?
C3 C2 B11 B10 -140.1(4) . . . . ?
C3 C2 B11 B12 156.6(4) . . . . ?
C3 C4 C5 C6 0.8(8) . . . . ?
Ru3 C1 C2 C3 -101.9(4) . . . . ?
Ru3 C1 C2 B6 159.0(3) . . . . ?
Ru3 C1 C2 B7 53.3(3) . . . . ?
Ru3 C1 C2 B11 121.3(3) . . . . ?
Ru3 C1 B4 B5 -156.7(3) . . . . ?
Ru3 C1 B4 B8 -56.0(4) . . . . ?
Ru3 C1 B4 B9 -117.6(4) . . . . ?
Ru3 C1 B5 B4 26.3(4) . . . . ?
Ru3 C1 B5 B6 -117.1(4) . . . . ?
Ru3 C1 B5 B9 -14.4(5) . . . . ?
Ru3 C1 B5 B10 -77.5(4) . . . . ?
Ru3 C1 B6 C2 -24.8(3) . . . . ?
Ru3 C1 B6 B5 113.3(4) . . . . ?
Ru3 C1 B6 B10 73.7(4) . . . . ?
Ru3 C1 B6 B11 10.8(5) . . . . ?
Ru3 C1 C6 C5 73.9(4) . . . . ?
Ru3 P1 O10 C10 171.3(4) . . . . ?
Ru3 P1 O11 C11 59.6(4) . . . . ?
Ru3 P1 O12 C12 -176.3(4) . . . . ?
Ru3 C2 C3 C4 -72.7(4) . . . . ?
Ru3 C2 B6 C1 24.1(3) . . . . ?
Ru3 C2 B6 B5 -12.1(5) . . . . ?
Ru3 C2 B6 B10 -74.8(4) . . . . ?
Ru3 C2 B6 B11 -114.8(4) . . . . ?
Ru3 C2 B7 B8 55.2(3) . . . . ?
Ru3 C2 B7 B11 156.1(3) . . . . ?
Ru3 C2 B7 B12 117.2(3) . . . . ?
Ru3 C2 B11 B6 115.1(4) . . . . ?
Ru3 C2 B11 B7 -27.5(3) . . . . ?
Ru3 C2 B11 B10 75.1(4) . . . . ?
Ru3 C2 B11 B12 11.9(5) . . . . ?
Ru3 B4 B5 C1 -25.5(4) . . . . ?
Ru3 B4 B5 B6 7.9(6) . . . . ?
Ru3 B4 B5 B9 108.8(5) . . . . ?
Ru3 B4 B5 B10 72.4(5) . . . . ?
Ru3 B4 B8 B7 -54.6(3) . . . . ?
Ru3 B4 B8 B9 -154.1(4) . . . . ?
Ru3 B4 B8 B12 -115.7(3) . . . . ?
Ru3 B4 B9 B5 -111.0(5) . . . . ?
Ru3 B4 B9 B8 27.7(4) . . . . ?
Ru3 B4 B9 B10 -74.8(5) . . . . ?
Ru3 B4 B9 B12 -11.1(6) . . . . ?
Ru3 B7 B8 B4 54.2(3) . . . . ?
Ru3 B7 B8 B9 115.3(3) . . . . ?
Ru3 B7 B8 B12 154.2(3) . . . . ?
Ru3 B7 B11 C2 26.6(3) . . . . ?
Ru3 B7 B11 B6 -7.4(5) . . . . ?
Ru3 B7 B11 B10 -71.3(5) . . . . ?
Ru3 B7 B11 B12 -108.5(4) . . . . ?
Ru3 B7 B12 B8 -27.5(3) . . . . ?
Ru3 B7 B12 B9 12.4(5) . . . . ?
Ru3 B7 B12 B10 75.2(4) . . . . ?
Ru3 B7 B12 B11 112.0(4) . . . . ?
Ru3 B8 B9 B4 -27.0(4) . . . . ?
Ru3 B8 B9 B5 10.5(5) . . . . ?
Ru3 B8 B9 B10 74.9(4) . . . . ?
Ru3 B8 B9 B12 109.4(4) . . . . ?
Ru3 B8 B12 B7 27.2(3) . . . . ?
Ru3 B8 B12 B9 -108.4(4) . . . . ?
Ru3 B8 B12 B10 -74.1(4) . . . . ?
Ru3 B8 B12 B11 -9.9(5) . . . . ?
B4 C1 C2 C3 -155.6(5) . . . . ?
B4 C1 C2 Ru3 -53.7(4) . . . . ?
B4 C1 C2 B6 105.4(4) . . . . ?
B4 C1 C2 B7 -0.3(5) . . . . ?
B4 C1 C2 B11 67.6(5) . . . . ?
B4 C1 B5 B6 -143.4(4) . . . . ?
B4 C1 B5 B9 -40.7(4) . . . . ?
B4 C1 B5 B10 -103.8(4) . . . . ?
B4 C1 B6 C2 -103.1(4) . . . . ?
B4 C1 B6 B5 34.9(4) . . . . ?
B4 C1 B6 B10 -4.6(5) . . . . ?
B4 C1 B6 B11 -67.6(5) . . . . ?
B4 C1 C6 C5 149.7(5) . . . . ?
B4 B5 B6 C1 -33.2(4) . . . . ?
B4 B5 B6 C2 2.1(5) . . . . ?
B4 B5 B6 B10 102.0(4) . . . . ?
B4 B5 B6 B11 63.6(5) . . . . ?
B4 B5 B9 B8 -38.3(4) . . . . ?
B4 B5 B9 B10 -140.0(5) . . . . ?
B4 B5 B9 B12 -101.5(5) . . . . ?
B4 B5 B10 B6 -102.4(4) . . . . ?
B4 B5 B10 B9 36.7(4) . . . . ?
B4 B5 B10 B11 -64.7(5) . . . . ?
B4 B5 B10 B12 -2.2(5) . . . . ?
B4 B8 B9 B5 37.5(4) . . . . ?
B4 B8 B9 B10 101.8(4) . . . . ?
B4 B8 B9 B12 136.4(4) . . . . ?
B4 B8 B12 B7 97.8(4) . . . . ?
B4 B8 B12 B9 -37.8(4) . . . . ?
B4 B8 B12 B10 -3.6(5) . . . . ?
B4 B8 B12 B11 60.6(5) . . . . ?
B4 B9 B10 B5 -36.2(4) . . . . ?
B4 B9 B10 B6 0.2(6) . . . . ?
B4 B9 B10 B11 62.9(5) . . . . ?
B4 B9 B10 B12 100.5(5) . . . . ?
B4 B9 B12 B7 -0.8(5) . . . . ?
B4 B9 B12 B8 39.8(4) . . . . ?
B4 B9 B12 B10 -102.0(4) . . . . ?
B4 B9 B12 B11 -64.6(5) . . . . ?
C4 C5 C6 C1 2.9(7) . . . . ?
B5 C1 C2 C3 137.5(4) . . . . ?
B5 C1 C2 Ru3 -120.5(3) . . . . ?
B5 C1 C2 B6 38.5(3) . . . . ?
B5 C1 C2 B7 -67.2(4) . . . . ?
B5 C1 C2 B11 0.7(5) . . . . ?
B5 C1 B4 Ru3 156.7(3) . . . . ?
B5 C1 B4 B8 100.7(5) . . . . ?
B5 C1 B4 B9 39.2(4) . . . . ?
B5 C1 B6 C2 -138.1(4) . . . . ?
B5 C1 B6 B10 -39.5(3) . . . . ?
B5 C1 B6 B11 -102.5(4) . . . . ?
B5 C1 C6 C5 -138.0(4) . . . . ?
B5 B4 B8 Ru3 117.9(4) . . . . ?
B5 B4 B8 B7 63.3(5) . . . . ?
B5 B4 B8 B9 -36.2(4) . . . . ?
B5 B4 B8 B12 2.2(5) . . . . ?
B5 B4 B9 B8 138.6(4) . . . . ?
B5 B4 B9 B10 36.2(4) . . . . ?
B5 B4 B9 B12 99.8(4) . . . . ?
B5 B6 B10 B9 -36.3(4) . . . . ?
B5 B6 B10 B11 -137.2(4) . . . . ?
B5 B6 B10 B12 -100.5(4) . . . . ?
B5 B6 B11 C2 -96.3(4) . . . . ?
B5 B6 B11 B7 -63.2(4) . . . . ?
B5 B6 B11 B10 38.4(3) . . . . ?
B5 B6 B11 B12 0.8(5) . . . . ?
B5 B9 B10 B6 36.4(4) . . . . ?
B5 B9 B10 B11 99.1(4) . . . . ?
B5 B9 B10 B12 136.6(4) . . . . ?
B5 B9 B12 B7 62.7(4) . . . . ?
B5 B9 B12 B8 103.3(4) . . . . ?
B5 B9 B12 B10 -38.6(3) . . . . ?
B5 B9 B12 B11 -1.1(5) . . . . ?
B5 B10 B11 C2 2.3(5) . . . . ?
B5 B10 B11 B6 -37.7(3) . . . . ?
B5 B10 B11 B7 63.7(5) . . . . ?
B5 B10 B11 B12 100.8(4) . . . . ?
B5 B10 B12 B7 -62.4(5) . . . . ?
B5 B10 B12 B8 3.6(5) . . . . ?
B5 B10 B12 B9 38.3(4) . . . . ?
B5 B10 B12 B11 -99.4(4) . . . . ?
B6 C1 C2 C3 99.0(4) . . . . ?
B6 C1 C2 Ru3 -159.0(3) . . . . ?
B6 C1 C2 B7 -105.7(4) . . . . ?
B6 C1 C2 B11 -37.8(3) . . . . ?
B6 C1 B4 Ru3 122.1(3) . . . . ?
B6 C1 B4 B5 -34.6(4) . . . . ?
B6 C1 B4 B8 66.1(5) . . . . ?
B6 C1 B4 B9 4.6(6) . . . . ?
B6 C1 B5 B4 143.4(4) . . . . ?
B6 C1 B5 B9 102.7(4) . . . . ?
B6 C1 B5 B10 39.5(3) . . . . ?
B6 C1 C6 C5 -71.3(5) . . . . ?
B6 C2 C3 C4 70.7(5) . . . . ?
B6 C2 B7 Ru3 -120.7(3) . . . . ?
B6 C2 B7 B8 -65.5(4) . . . . ?
B6 C2 B7 B11 35.4(4) . . . . ?
B6 C2 B7 B12 -3.6(5) . . . . ?
B6 C2 B11 B7 -142.6(4) . . . . ?
B6 C2 B11 B10 -39.9(3) . . . . ?
B6 C2 B11 B12 -103.2(4) . . . . ?
B6 B5 B9 B4 103.1(5) . . . . ?
B6 B5 B9 B8 64.9(5) . . . . ?
B6 B5 B9 B10 -36.8(4) . . . . ?
B6 B5 B9 B12 1.6(5) . . . . ?
B6 B5 B10 B9 139.1(4) . . . . ?
B6 B5 B10 B11 37.6(3) . . . . ?
B6 B5 B10 B12 100.2(4) . . . . ?
B6 B10 B11 C2 40.0(3) . . . . ?
B6 B10 B11 B7 101.4(4) . . . . ?
B6 B10 B11 B12 138.5(4) . . . . ?
B6 B10 B12 B7 0.4(5) . . . . ?
B6 B10 B12 B8 66.4(5) . . . . ?
B6 B10 B12 B9 101.1(4) . . . . ?
B6 B10 B12 B11 -36.7(3) . . . . ?
B6 B11 B12 B7 -101.7(4) . . . . ?
B6 B11 B12 B8 -63.9(5) . . . . ?
B6 B11 B12 B9 0.2(5) . . . . ?
B6 B11 B12 B10 37.4(3) . . . . ?
C6 C1 C2 C3 0.6(6) . . . . ?
C6 C1 C2 Ru3 102.5(4) . . . . ?
C6 C1 C2 B6 -98.4(4) . . . . ?
C6 C1 C2 B7 155.8(4) . . . . ?
C6 C1 C2 B11 -136.2(4) . . . . ?
C6 C1 B4 Ru3 -100.0(4) . . . . ?
C6 C1 B4 B5 103.3(5) . . . . ?
C6 C1 B4 B8 -156.0(4) . . . . ?
C6 C1 B4 B9 142.5(4) . . . . ?
C6 C1 B5 B4 -116.8(5) . . . . ?
C6 C1 B5 B6 99.9(4) . . . . ?
C6 C1 B5 B9 -157.5(4) . . . . ?
C6 C1 B5 B10 139.4(4) . . . . ?
C6 C1 B6 C2 113.1(4) . . . . ?
C6 C1 B6 B5 -108.8(4) . . . . ?
C6 C1 B6 B10 -148.3(4) . . . . ?
C6 C1 B6 B11 148.7(4) . . . . ?
B7 C2 C3 C4 -149.1(4) . . . . ?
B7 C2 B6 C1 102.8(4) . . . . ?
B7 C2 B6 B5 66.5(4) . . . . ?
B7 C2 B6 B10 3.8(5) . . . . ?
B7 C2 B6 B11 -36.1(4) . . . . ?
B7 C2 B11 B6 142.6(4) . . . . ?
B7 C2 B11 B10 102.6(4) . . . . ?
B7 C2 B11 B12 39.4(3) . . . . ?
B7 B8 B9 B4 -98.0(4) . . . . ?
B7 B8 B9 B5 -60.5(5) . . . . ?
B7 B8 B9 B10 3.8(5) . . . . ?
B7 B8 B9 B12 38.4(3) . . . . ?
B7 B8 B12 B9 -135.6(4) . . . . ?
B7 B8 B12 B10 -101.4(4) . . . . ?
B7 B8 B12 B11 -37.2(4) . . . . ?
B7 B11 B12 B8 37.8(4) . . . . ?
B7 B11 B12 B9 101.9(4) . . . . ?
B7 B11 B12 B10 139.0(4) . . . . ?
B8 B4 B5 C1 -97.8(5) . . . . ?
B8 B4 B5 B6 -64.4(5) . . . . ?
B8 B4 B5 B9 36.4(4) . . . . ?
B8 B4 B5 B10 0.0(6) . . . . ?
B8 B4 B9 B5 -138.6(4) . . . . ?
B8 B4 B9 B10 -102.5(4) . . . . ?
B8 B4 B9 B12 -38.8(4) . . . . ?
B8 B7 B11 C2 99.2(4) . . . . ?
B8 B7 B11 B6 65.3(4) . . . . ?
B8 B7 B11 B10 1.3(5) . . . . ?
B8 B7 B11 B12 -35.9(3) . . . . ?
B8 B7 B12 B9 39.8(3) . . . . ?
B8 B7 B12 B10 102.7(4) . . . . ?
B8 B7 B12 B11 139.5(4) . . . . ?
B8 B9 B10 B5 -102.2(4) . . . . ?
B8 B9 B10 B6 -65.8(5) . . . . ?
B8 B9 B10 B11 -3.1(5) . . . . ?
B8 B9 B10 B12 34.4(4) . . . . ?
B8 B9 B12 B7 -40.6(3) . . . . ?
B8 B9 B12 B10 -141.9(4) . . . . ?
B8 B9 B12 B11 -104.4(4) . . . . ?
B9 B4 B5 C1 -134.3(4) . . . . ?
B9 B4 B5 B6 -100.9(4) . . . . ?
B9 B4 B5 B10 -36.5(4) . . . . ?
B9 B4 B8 Ru3 154.1(4) . . . . ?
B9 B4 B8 B7 99.5(4) . . . . ?
B9 B4 B8 B12 38.4(4) . . . . ?
B9 B5 B6 C1 -98.3(4) . . . . ?
B9 B5 B6 C2 -63.0(4) . . . . ?
B9 B5 B6 B10 36.9(4) . . . . ?
B9 B5 B6 B11 -1.5(5) . . . . ?
B9 B5 B10 B6 -139.1(4) . . . . ?
B9 B5 B10 B11 -101.5(4) . . . . ?
B9 B5 B10 B12 -38.9(4) . . . . ?
B9 B8 B12 B7 135.6(4) . . . . ?
B9 B8 B12 B10 34.3(4) . . . . ?
B9 B8 B12 B11 98.5(4) . . . . ?
B9 B10 B11 C2 -60.4(5) . . . . ?
B9 B10 B11 B6 -100.4(4) . . . . ?
B9 B10 B11 B7 1.1(5) . . . . ?
B9 B10 B11 B12 38.1(4) . . . . ?
B9 B10 B12 B7 -100.7(4) . . . . ?
B9 B10 B12 B8 -34.7(4) . . . . ?
B9 B10 B12 B11 -137.8(4) . . . . ?
B10 B5 B6 C1 -135.2(4) . . . . ?
B10 B5 B6 C2 -99.9(4) . . . . ?
B10 B5 B6 B11 -38.5(3) . . . . ?
B10 B5 B9 B4 140.0(5) . . . . ?
B10 B5 B9 B8 101.7(4) . . . . ?
B10 B5 B9 B12 38.5(3) . . . . ?
B10 B6 B11 C2 -134.7(4) . . . . ?
B10 B6 B11 B7 -101.6(4) . . . . ?
B10 B6 B11 B12 -37.6(3) . . . . ?
B10 B9 B12 B7 101.3(4) . . . . ?
B10 B9 B12 B8 141.9(4) . . . . ?
B10 B9 B12 B11 37.5(3) . . . . ?
B10 B11 B12 B7 -139.0(4) . . . . ?
B10 B11 B12 B8 -101.2(4) . . . . ?
B10 B11 B12 B9 -37.2(3) . . . . ?
O10 P1 O11 C11 -177.7(4) . . . . ?
O10 P1 O12 C12 61.6(5) . . . . ?
B11 C2 C3 C4 137.3(4) . . . . ?
B11 C2 B6 C1 138.9(4) . . . . ?
B11 C2 B6 B5 102.7(4) . . . . ?
B11 C2 B6 B10 40.0(3) . . . . ?
B11 C2 B7 Ru3 -156.1(3) . . . . ?
B11 C2 B7 B8 -100.8(4) . . . . ?
B11 C2 B7 B12 -38.9(3) . . . . ?
B11 B6 B10 B5 137.2(4) . . . . ?
B11 B6 B10 B9 100.9(4) . . . . ?
B11 B6 B10 B12 36.7(3) . . . . ?
B11 B7 B8 Ru3 -118.3(3) . . . . ?
B11 B7 B8 B4 -64.2(5) . . . . ?
B11 B7 B8 B9 -3.1(5) . . . . ?
B11 B7 B8 B12 35.9(3) . . . . ?
B11 B7 B12 B8 -139.5(4) . . . . ?
B11 B7 B12 B9 -99.6(4) . . . . ?
B11 B7 B12 B10 -36.8(3) . . . . ?
B11 B10 B12 B7 37.1(3) . . . . ?
B11 B10 B12 B8 103.1(4) . . . . ?
B11 B10 B12 B9 137.8(4) . . . . ?
O11 P1 O10 C10 42.2(5) . . . . ?
O11 P1 O12 C12 -46.1(5) . . . . ?
B12 B7 B8 Ru3 -154.2(3) . . . . ?
B12 B7 B8 B4 -100.1(4) . . . . ?
B12 B7 B8 B9 -39.0(3) . . . . ?
B12 B7 B11 C2 135.1(4) . . . . ?
B12 B7 B11 B6 101.2(4) . . . . ?
B12 B7 B11 B10 37.2(4) . . . . ?
B12 B8 B9 B4 -136.4(4) . . . . ?
B12 B8 B9 B5 -98.9(4) . . . . ?
B12 B8 B9 B10 -34.5(4) . . . . ?
B12 B9 B10 B5 -136.6(4) . . . . ?
B12 B9 B10 B6 -100.3(4) . . . . ?
B12 B9 B10 B11 -37.5(4) . . . . ?
B12 B10 B11 C2 -98.5(4) . . . . ?
B12 B10 B11 B6 -138.5(4) . . . . ?
B12 B10 B11 B7 -37.0(3) . . . . ?
O12 P1 O10 C10 -67.4(5) . . . . ?
O12 P1 O11 C11 -63.7(4) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_x85421_0m
_database_code_depnum_ccdc_archive 'CCDC 1479550'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-06-07 downloaded from the CCDC.
;
_audit_creation_date             2016-04-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C13 H24 B9 N O2 Ru'
_chemical_formula_sum            'C13 H24 B9 N O2 Ru'
_chemical_formula_weight         424.69
_chemical_melting_point          ?
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'
N N 0.0061 0.0033 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_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'

_cell_length_a                   9.3786(4)
_cell_length_b                   17.9449(7)
_cell_length_c                   12.1827(5)
_cell_angle_alpha                90
_cell_angle_beta                 102.484(2)
_cell_angle_gamma                90
_cell_volume                     2001.85(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9936
_cell_measurement_temperature    200.0
_cell_measurement_theta_max      30.909
_cell_measurement_theta_min      2.497
_shelx_estimated_absorpt_T_max   0.925
_shelx_estimated_absorpt_T_min   0.703
_exptl_absorpt_coefficient_mu    0.789
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.7051
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0746 before and 0.0491 after correction.
The Ratio of minimum to maximum transmission is 0.9449.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_av_unetI/netI     0.0286
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            45111
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         31.175
_diffrn_reflns_theta_min         2.054
_diffrn_ambient_temperature      200.0
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_special_details          'crystals shattered at 100K and 160K'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5367
_reflns_number_total             6407
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.375
_refine_diff_density_min         -0.448
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         6407
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0265
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0259P)²+0.6349P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0577
_refine_ls_wR_factor_ref         0.0612
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(C35A)=Sof(H35D)=Sof(H35E)=Sof(H35F)=Sof(C37A)=Sof(H37D)=Sof(H37E)=
 Sof(H37F)=Sof(C36A)=Sof(H36D)=Sof(H36E)=Sof(H36F)=1-FVAR(1)
 Sof(C35)=Sof(H35A)=Sof(H35B)=Sof(H35C)=Sof(C36)=Sof(H36A)=Sof(H36B)=Sof(H36C)=
 Sof(C37)=Sof(H37A)=Sof(H37B)=Sof(H37C)=FVAR(1)
3.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C6(H6A,H6B)
3.b Aromatic/amide H refined with riding coordinates:
 C4(H4A), C5(H5A)
3.c Idealised Me refined as rotating group:
 C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C35A(H35D,H35E,
 H35F), C37A(H37D,H37E,H37F), C36A(H36D,H36E,H36F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.40754(16) 0.28697(8) 0.27726(13) 0.0209(3) Uani 1 1 d . . . . .
C2 C 0.32639(17) 0.27316(8) 0.14385(13) 0.0227(3) Uani 1 1 d . . . . .
Ru3 Ru 0.31145(2) 0.17062(2) 0.24757(2) 0.02088(4) Uani 1 1 d . . . . .
C3 C 0.42178(19) 0.25893(10) 0.05862(14) 0.0320(4) Uani 1 1 d . . . . .
H3A H 0.3967 0.2095 0.0238 0.038 Uiso 1 1 calc R . . . .
H3B H 0.3982 0.2967 -0.0018 0.038 Uiso 1 1 calc R . . . .
C6 C 0.57407(17) 0.28379(9) 0.31010(14) 0.0273(3) Uani 1 1 d . . . . .
H6A H 0.6104 0.3310 0.3480 0.033 Uiso 1 1 calc R . . . .
H6B H 0.6029 0.2430 0.3651 0.033 Uiso 1 1 calc R . . . .
B4 B 0.29315(19) 0.26670(10) 0.36559(15) 0.0226(3) Uani 1 1 d . . . . .
H4 H 0.3408(19) 0.2505(10) 0.4526(15) 0.027 Uiso 1 1 d R . . . .
C4 C 0.5824(2) 0.26120(10) 0.10739(16) 0.0352(4) Uani 1 1 d . . . . .
H4A H 0.6447 0.2543 0.0562 0.042 Uiso 1 1 calc R . . . .
B5 B 0.3287(2) 0.36069(10) 0.33252(16) 0.0261(4) Uani 1 1 d . . . . .
H5 H 0.399(2) 0.3956(10) 0.3946(15) 0.031 Uiso 1 1 d R . . . .
C5 C 0.64709(19) 0.27177(10) 0.21361(17) 0.0330(4) Uani 1 1 d . . . . .
H5A H 0.7508 0.2718 0.2308 0.040 Uiso 1 1 calc R . . . .
B6 B 0.3506(2) 0.36415(10) 0.19333(17) 0.0275(4) Uani 1 1 d . . . . .
H6 H 0.435(2) 0.3961(10) 0.1663(15) 0.033 Uiso 1 1 d R . . . .
B7 B 0.1480(2) 0.24236(10) 0.13394(16) 0.0252(3) Uani 1 1 d . . . . .
H7 H 0.095(2) 0.2123(10) 0.0602(15) 0.030 Uiso 1 1 d R . . . .
B8 B 0.11786(19) 0.23939(10) 0.27556(16) 0.0244(3) Uani 1 1 d . . . . .
H8 H 0.0288(19) 0.2066(10) 0.2998(15) 0.029 Uiso 1 1 d R . . . .
B9 B 0.1472(2) 0.33133(11) 0.32951(17) 0.0273(4) Uani 1 1 d . . . . .
H9 H 0.087(2) 0.3511(10) 0.3913(16) 0.033 Uiso 1 1 d R . . . .
B10 B 0.1833(2) 0.39185(11) 0.22347(17) 0.0290(4) Uani 1 1 d . . . . .
H10 H 0.153(2) 0.4490(11) 0.2144(16) 0.035 Uiso 1 1 d R . . . .
B11 B 0.1868(2) 0.33632(11) 0.10349(17) 0.0282(4) Uani 1 1 d . . . . .
H11 H 0.164(2) 0.3574(11) 0.0155(16) 0.034 Uiso 1 1 d R . . . .
B12 B 0.0584(2) 0.31712(10) 0.18656(17) 0.0279(4) Uani 1 1 d . . . . .
H12 H -0.056(2) 0.3259(10) 0.1531(17) 0.033 Uiso 1 1 d R . . . .
O31 O 0.16165(18) 0.05210(8) 0.08558(15) 0.0589(4) Uani 1 1 d . . . . .
C31 C 0.2205(2) 0.09513(10) 0.14791(17) 0.0355(4) Uani 1 1 d . . . . .
C32 C 0.2988(2) 0.11058(10) 0.37321(17) 0.0376(4) Uani 1 1 d . . . . .
O32 O 0.2849(2) 0.07686(9) 0.44865(14) 0.0669(5) Uani 1 1 d . . . . .
N33 N 0.60570(17) 0.08633(8) 0.23840(15) 0.0383(4) Uani 1 1 d . . . . .
C33 C 0.50302(19) 0.11958(9) 0.24227(16) 0.0309(4) Uani 1 1 d . . . . .
C34 C 0.7357(2) 0.04262(11) 0.2307(2) 0.0439(5) Uani 1 1 d . . . . .
C35 C 0.7997(9) 0.0758(6) 0.1393(6) 0.0625(19) Uani 0.776(13) 1 d . . P A 1
H35A H 0.8267 0.1278 0.1577 0.094 Uiso 0.776(13) 1 calc GR . P A 1
H35B H 0.7276 0.0737 0.0679 0.094 Uiso 0.776(13) 1 calc GR . P A 1
H35C H 0.8868 0.0476 0.1324 0.094 Uiso 0.776(13) 1 calc GR . P A 1
C36 C 0.8495(4) 0.0531(3) 0.3463(4) 0.0553(11) Uani 0.776(13) 1 d . . P A 1
H36A H 0.8063 0.0356 0.4080 0.083 Uiso 0.776(13) 1 calc GR . P A 1
H36B H 0.8748 0.1060 0.3573 0.083 Uiso 0.776(13) 1 calc GR . P A 1
H36C H 0.9379 0.0242 0.3451 0.083 Uiso 0.776(13) 1 calc GR . P A 1
C37 C 0.6926(5) -0.03673(19) 0.2179(8) 0.083(3) Uani 0.776(13) 1 d . . P A 1
H37A H 0.7797 -0.0676 0.2212 0.125 Uiso 0.776(13) 1 calc GR . P A 1
H37B H 0.6249 -0.0440 0.1453 0.125 Uiso 0.776(13) 1 calc GR . P A 1
H37C H 0.6447 -0.0511 0.2787 0.125 Uiso 0.776(13) 1 calc GR . P A 1
C35A C 0.819(3) 0.0823(17) 0.164(3) 0.090(11) Uani 0.224(13) 1 d . . P A 2
H35D H 0.8600 0.1273 0.2044 0.135 Uiso 0.224(13) 1 calc GR . P A 2
H35E H 0.7547 0.0964 0.0924 0.135 Uiso 0.224(13) 1 calc GR . P A 2
H35F H 0.8976 0.0505 0.1501 0.135 Uiso 0.224(13) 1 calc GR . P A 2
C37A C 0.6517(18) -0.0206(13) 0.124(3) 0.108(10) Uani 0.224(13) 1 d . . P A 2
H37D H 0.7242 -0.0568 0.1106 0.162 Uiso 0.224(13) 1 calc GR . P A 2
H37E H 0.6121 0.0069 0.0550 0.162 Uiso 0.224(13) 1 calc GR . P A 2
H37F H 0.5724 -0.0469 0.1488 0.162 Uiso 0.224(13) 1 calc GR . P A 2
C36A C 0.776(4) 0.005(2) 0.3227(15) 0.147(19) Uani 0.224(13) 1 d . . P A 2
H36D H 0.8826 0.0048 0.3450 0.221 Uiso 0.224(13) 1 calc GR . P A 2
H36E H 0.7397 -0.0461 0.3107 0.221 Uiso 0.224(13) 1 calc GR . P A 2
H36F H 0.7353 0.0284 0.3821 0.221 Uiso 0.224(13) 1 calc GR . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1 C2 1.658(2) . ?
C1 Ru3 2.2719(15) . ?
C1 C6 1.527(2) . ?
C1 B4 1.715(2) . ?
C1 B5 1.722(2) . ?
C1 B6 1.736(2) . ?
C2 Ru3 2.2536(15) . ?
C2 C3 1.531(2) . ?
C2 B6 1.738(2) . ?
C2 B7 1.741(2) . ?
C2 B11 1.721(2) . ?
Ru3 B4 2.2750(17) . ?
Ru3 B7 2.2375(19) . ?
Ru3 B8 2.2810(17) . ?
Ru3 C31 1.8945(19) . ?
Ru3 C32 1.8964(19) . ?
Ru3 C33 2.0301(17) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.496(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C5 1.498(2) . ?
B4 H4 1.096(18) . ?
B4 B5 1.782(3) . ?
B4 B8 1.835(3) . ?
B4 B9 1.775(3) . ?
C4 H4A 0.9500 . ?
C4 C5 1.319(3) . ?
B5 H5 1.089(19) . ?
B5 B6 1.753(3) . ?
B5 B9 1.775(3) . ?
B5 B10 1.776(3) . ?
C5 H5A 0.9500 . ?
B6 H6 1.087(19) . ?
B6 B10 1.758(3) . ?
B6 B11 1.755(3) . ?
B7 H7 1.073(18) . ?
B7 B8 1.808(3) . ?
B7 B11 1.781(3) . ?
B7 B12 1.774(3) . ?
B8 H8 1.112(18) . ?
B8 B9 1.775(3) . ?
B8 B12 1.781(3) . ?
B9 H9 1.093(19) . ?
B9 B10 1.775(3) . ?
B9 B12 1.779(3) . ?
B10 H10 1.06(2) . ?
B10 B11 1.775(3) . ?
B10 B12 1.773(3) . ?
B11 H11 1.113(19) . ?
B11 B12 1.766(3) . ?
B12 H12 1.08(2) . ?
O31 C31 1.138(2) . ?
C32 O32 1.131(2) . ?
N33 C33 1.142(2) . ?
N33 C34 1.470(2) . ?
C34 C35 1.498(7) . ?
C34 C36 1.583(5) . ?
C34 C37 1.479(4) . ?
C34 C35A 1.43(2) . ?
C34 C37A 1.774(18) . ?
C34 C36A 1.290(18) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C35A H35D 0.9800 . ?
C35A H35E 0.9800 . ?
C35A H35F 0.9800 . ?
C37A H37D 0.9800 . ?
C37A H37E 0.9800 . ?
C37A H37F 0.9800 . ?
C36A H36D 0.9800 . ?
C36A H36E 0.9800 . ?
C36A H36F 0.9800 . ?

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
C2 C1 Ru3 67.93(7) . . ?
C2 C1 B4 111.51(11) . . ?
C2 C1 B5 110.69(12) . . ?
C2 C1 B6 61.58(10) . . ?
C6 C1 C2 118.57(12) . . ?
C6 C1 Ru3 110.81(10) . . ?
C6 C1 B4 124.80(13) . . ?
C6 C1 B5 115.30(13) . . ?
C6 C1 B6 110.56(12) . . ?
B4 C1 Ru3 67.94(8) . . ?
B4 C1 B5 62.48(10) . . ?
B4 C1 B6 112.60(12) . . ?
B5 C1 Ru3 125.40(10) . . ?
B5 C1 B6 60.91(10) . . ?
B6 C1 Ru3 125.35(10) . . ?
C1 C2 Ru3 69.10(7) . . ?
C1 C2 B6 61.43(10) . . ?
C1 C2 B7 110.25(11) . . ?
C1 C2 B11 109.96(12) . . ?
C3 C2 C1 118.56(13) . . ?
C3 C2 Ru3 111.11(11) . . ?
C3 C2 B6 109.88(13) . . ?
C3 C2 B7 126.40(14) . . ?
C3 C2 B11 115.84(13) . . ?
B6 C2 Ru3 126.29(10) . . ?
B6 C2 B7 111.94(12) . . ?
B7 C2 Ru3 66.70(8) . . ?
B11 C2 Ru3 124.22(10) . . ?
B11 C2 B6 60.97(11) . . ?
B11 C2 B7 61.91(10) . . ?
C1 Ru3 B4 44.31(6) . . ?
C1 Ru3 B8 77.30(6) . . ?
C2 Ru3 C1 42.97(5) . . ?
C2 Ru3 B4 75.99(6) . . ?
C2 Ru3 B8 77.88(6) . . ?
B4 Ru3 B8 47.49(6) . . ?
B7 Ru3 C1 76.40(6) . . ?
B7 Ru3 C2 45.63(6) . . ?
B7 Ru3 B4 79.62(7) . . ?
B7 Ru3 B8 47.17(7) . . ?
C31 Ru3 C1 150.15(7) . . ?
C31 Ru3 C2 107.37(7) . . ?
C31 Ru3 B4 149.53(7) . . ?
C31 Ru3 B7 82.04(8) . . ?
C31 Ru3 B8 102.71(7) . . ?
C31 Ru3 C32 90.74(8) . . ?
C31 Ru3 C33 86.33(8) . . ?
C32 Ru3 C1 119.05(7) . . ?
C32 Ru3 C2 159.85(7) . . ?
C32 Ru3 B4 83.92(7) . . ?
C32 Ru3 B7 132.23(8) . . ?
C32 Ru3 B8 89.77(7) . . ?
C32 Ru3 C33 88.83(8) . . ?
C33 Ru3 C1 95.53(6) . . ?
C33 Ru3 C2 100.83(6) . . ?
C33 Ru3 B4 123.38(7) . . ?
C33 Ru3 B7 137.11(7) . . ?
C33 Ru3 B8 170.87(7) . . ?
C2 C3 H3A 108.7 . . ?
C2 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C4 C3 C2 114.33(14) . . ?
C4 C3 H3A 108.7 . . ?
C4 C3 H3B 108.7 . . ?
C1 C6 H6A 108.6 . . ?
C1 C6 H6B 108.6 . . ?
H6A C6 H6B 107.6 . . ?
C5 C6 C1 114.50(14) . . ?
C5 C6 H6A 108.6 . . ?
C5 C6 H6B 108.6 . . ?
C1 B4 Ru3 67.75(7) . . ?
C1 B4 H4 118.9(9) . . ?
C1 B4 B5 58.95(10) . . ?
C1 B4 B8 106.43(12) . . ?
C1 B4 B9 105.04(12) . . ?
Ru3 B4 H4 109.8(9) . . ?
B5 B4 Ru3 122.07(11) . . ?
B5 B4 H4 114.3(9) . . ?
B5 B4 B8 107.76(13) . . ?
B8 B4 Ru3 66.43(8) . . ?
B8 B4 H4 129.2(9) . . ?
B9 B4 Ru3 119.87(11) . . ?
B9 B4 H4 122.9(9) . . ?
B9 B4 B5 59.85(10) . . ?
B9 B4 B8 58.89(10) . . ?
C3 C4 H4A 116.4 . . ?
C5 C4 C3 127.13(15) . . ?
C5 C4 H4A 116.4 . . ?
C1 B5 B4 58.57(9) . . ?
C1 B5 H5 117.8(10) . . ?
C1 B5 B6 59.94(10) . . ?
C1 B5 B9 104.76(12) . . ?
C1 B5 B10 105.93(13) . . ?
B4 B5 H5 120.2(10) . . ?
B6 B5 B4 108.60(13) . . ?
B6 B5 H5 118.2(10) . . ?
B6 B5 B9 107.63(14) . . ?
B6 B5 B10 59.77(11) . . ?
B9 B5 B4 59.88(10) . . ?
B9 B5 H5 128.3(10) . . ?
B9 B5 B10 60.00(11) . . ?
B10 B5 B4 108.42(13) . . ?
B10 B5 H5 126.3(10) . . ?
C6 C5 H5A 116.6 . . ?
C4 C5 C6 126.82(16) . . ?
C4 C5 H5A 116.6 . . ?
C1 B6 C2 56.99(9) . . ?
C1 B6 B5 59.15(10) . . ?
C1 B6 H6 116.5(10) . . ?
C1 B6 B10 106.10(12) . . ?
C1 B6 B11 104.87(12) . . ?
C2 B6 B5 105.57(12) . . ?
C2 B6 H6 116.1(10) . . ?
C2 B6 B10 106.40(13) . . ?
C2 B6 B11 59.02(10) . . ?
B5 B6 H6 123.9(10) . . ?
B5 B6 B10 60.77(11) . . ?
B5 B6 B11 108.89(13) . . ?
B10 B6 H6 131.2(10) . . ?
B11 B6 H6 124.1(10) . . ?
B11 B6 B10 60.70(11) . . ?
C2 B7 Ru3 67.68(8) . . ?
C2 B7 H7 118.8(10) . . ?
C2 B7 B8 106.81(12) . . ?
C2 B7 B11 58.47(10) . . ?
C2 B7 B12 104.93(13) . . ?
Ru3 B7 H7 111.1(10) . . ?
B8 B7 Ru3 67.68(8) . . ?
B8 B7 H7 130.1(10) . . ?
B11 B7 Ru3 122.00(11) . . ?
B11 B7 H7 112.3(10) . . ?
B11 B7 B8 107.93(13) . . ?
B12 B7 Ru3 121.74(12) . . ?
B12 B7 H7 120.8(10) . . ?
B12 B7 B8 59.59(10) . . ?
B12 B7 B11 59.58(11) . . ?
Ru3 B8 H8 114.9(10) . . ?
B4 B8 Ru3 66.08(8) . . ?
B4 B8 H8 127.6(9) . . ?
B7 B8 Ru3 65.15(8) . . ?
B7 B8 B4 104.94(11) . . ?
B7 B8 H8 123.4(9) . . ?
B9 B8 Ru3 119.56(11) . . ?
B9 B8 B4 58.88(10) . . ?
B9 B8 B7 106.38(12) . . ?
B9 B8 H8 117.3(10) . . ?
B9 B8 B12 60.03(11) . . ?
B12 B8 Ru3 119.16(11) . . ?
B12 B8 B4 106.07(13) . . ?
B12 B8 B7 59.26(10) . . ?
B12 B8 H8 114.9(9) . . ?
B4 B9 B8 62.23(10) . . ?
B4 B9 H9 121.8(10) . . ?
B4 B9 B10 108.77(12) . . ?
B4 B9 B12 108.75(13) . . ?
B5 B9 B4 60.27(10) . . ?
B5 B9 B8 110.79(12) . . ?
B5 B9 H9 121.7(10) . . ?
B5 B9 B10 60.03(11) . . ?
B5 B9 B12 107.86(13) . . ?
B8 B9 H9 119.6(10) . . ?
B8 B9 B10 109.75(13) . . ?
B8 B9 B12 60.13(11) . . ?
B10 B9 H9 120.7(10) . . ?
B10 B9 B12 59.86(11) . . ?
B12 B9 H9 121.3(10) . . ?
B5 B10 H10 121.7(11) . . ?
B6 B10 B5 59.46(11) . . ?
B6 B10 B9 107.35(13) . . ?
B6 B10 H10 118.7(10) . . ?
B6 B10 B11 59.55(11) . . ?
B6 B10 B12 107.67(13) . . ?
B9 B10 B5 59.96(11) . . ?
B9 B10 H10 125.3(10) . . ?
B11 B10 B5 106.93(13) . . ?
B11 B10 B9 107.23(13) . . ?
B11 B10 H10 120.5(11) . . ?
B12 B10 B5 108.05(13) . . ?
B12 B10 B9 60.16(11) . . ?
B12 B10 H10 123.9(11) . . ?
B12 B10 B11 59.71(11) . . ?
C2 B11 B6 60.01(10) . . ?
C2 B11 B7 59.61(10) . . ?
C2 B11 B10 106.43(13) . . ?
C2 B11 H11 118.5(10) . . ?
C2 B11 B12 106.17(12) . . ?
B6 B11 B7 109.30(13) . . ?
B6 B11 B10 59.75(11) . . ?
B6 B11 H11 117.8(10) . . ?
B6 B11 B12 108.14(14) . . ?
B7 B11 H11 121.1(10) . . ?
B10 B11 B7 108.59(13) . . ?
B10 B11 H11 124.6(10) . . ?
B12 B11 B7 60.03(10) . . ?
B12 B11 B10 60.10(11) . . ?
B12 B11 H11 127.0(10) . . ?
B7 B12 B8 61.15(10) . . ?
B7 B12 B9 107.70(13) . . ?
B7 B12 H12 119.1(10) . . ?
B8 B12 H12 120.0(10) . . ?
B9 B12 B8 59.83(11) . . ?
B9 B12 H12 124.6(11) . . ?
B10 B12 B7 108.97(13) . . ?
B10 B12 B8 109.59(14) . . ?
B10 B12 B9 59.97(11) . . ?
B10 B12 H12 122.5(10) . . ?
B11 B12 B7 60.39(11) . . ?
B11 B12 B8 109.83(13) . . ?
B11 B12 B9 107.46(14) . . ?
B11 B12 B10 60.20(11) . . ?
B11 B12 H12 120.3(10) . . ?
O31 C31 Ru3 176.95(18) . . ?
O32 C32 Ru3 176.37(19) . . ?
C33 N33 C34 178.5(2) . . ?
N33 C33 Ru3 175.29(15) . . ?
N33 C34 C35 107.8(4) . . ?
N33 C34 C36 106.8(2) . . ?
N33 C34 C37 108.0(2) . . ?
N33 C34 C37A 98.3(6) . . ?
C35 C34 C36 108.2(3) . . ?
C37 C34 C35 116.6(5) . . ?
C37 C34 C36 108.9(3) . . ?
C35A C34 N33 109.3(13) . . ?
C35A C34 C37A 96.6(14) . . ?
C36A C34 N33 108.2(8) . . ?
C36A C34 C35A 131(2) . . ?
C36A C34 C37A 107.5(15) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C35A H35D 109.5 . . ?
C34 C35A H35E 109.5 . . ?
C34 C35A H35F 109.5 . . ?
H35D C35A H35E 109.5 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.5 . . ?
C34 C37A H37D 109.5 . . ?
C34 C37A H37E 109.5 . . ?
C34 C37A H37F 109.5 . . ?
H37D C37A H37E 109.5 . . ?
H37D C37A H37F 109.5 . . ?
H37E C37A H37F 109.5 . . ?
C34 C36A H36D 109.5 . . ?
C34 C36A H36E 109.5 . . ?
C34 C36A H36F 109.5 . . ?
H36D C36A H36E 109.5 . . ?
H36D C36A H36F 109.5 . . ?
H36E C36A H36F 109.5 . . ?

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
C1 C2 C3 C4 -1.5(2) . . . . ?
C1 C2 B6 B5 -35.34(11) . . . . ?
C1 C2 B6 B10 -98.83(13) . . . . ?
C1 C2 B6 B11 -138.33(12) . . . . ?
C1 C2 B7 Ru3 -55.05(10) . . . . ?
C1 C2 B7 B8 1.38(16) . . . . ?
C1 C2 B7 B11 102.45(13) . . . . ?
C1 C2 B7 B12 63.57(15) . . . . ?
C1 C2 B11 B6 38.40(12) . . . . ?
C1 C2 B11 B7 -102.92(12) . . . . ?
C1 C2 B11 B10 -0.65(16) . . . . ?
C1 C2 B11 B12 -63.54(16) . . . . ?
C1 C6 C5 C4 -2.7(3) . . . . ?
C1 B4 B5 B6 34.39(12) . . . . ?
C1 B4 B5 B9 134.41(13) . . . . ?
C1 B4 B5 B10 97.79(14) . . . . ?
C1 B4 B8 Ru3 55.98(9) . . . . ?
C1 B4 B8 B7 2.43(15) . . . . ?
C1 B4 B8 B9 -97.93(13) . . . . ?
C1 B4 B8 B12 -59.29(15) . . . . ?
C1 B4 B9 B5 -39.32(12) . . . . ?
C1 B4 B9 B8 100.37(13) . . . . ?
C1 B4 B9 B10 -2.60(17) . . . . ?
C1 B4 B9 B12 61.00(16) . . . . ?
C1 B5 B6 C2 34.41(11) . . . . ?
C1 B5 B6 B10 134.78(13) . . . . ?
C1 B5 B6 B11 96.41(13) . . . . ?
C1 B5 B9 B4 39.07(12) . . . . ?
C1 B5 B9 B8 1.32(18) . . . . ?
C1 B5 B9 B10 -100.12(14) . . . . ?
C1 B5 B9 B12 -62.75(16) . . . . ?
C1 B5 B10 B6 -39.71(11) . . . . ?
C1 B5 B10 B9 98.11(13) . . . . ?
C1 B5 B10 B11 -2.35(16) . . . . ?
C1 B5 B10 B12 60.57(15) . . . . ?
C1 B6 B10 B5 39.37(12) . . . . ?
C1 B6 B10 B9 1.85(18) . . . . ?
C1 B6 B10 B11 -98.30(14) . . . . ?
C1 B6 B10 B12 -61.56(17) . . . . ?
C1 B6 B11 C2 -35.23(11) . . . . ?
C1 B6 B11 B7 -0.40(17) . . . . ?
C1 B6 B11 B10 100.37(13) . . . . ?
C1 B6 B11 B12 63.35(15) . . . . ?
C2 C1 C6 C5 2.9(2) . . . . ?
C2 C1 B4 Ru3 53.45(10) . . . . ?
C2 C1 B4 B5 -102.88(13) . . . . ?
C2 C1 B4 B8 -1.71(16) . . . . ?
C2 C1 B4 B9 -63.12(15) . . . . ?
C2 C1 B5 B4 104.19(13) . . . . ?
C2 C1 B5 B6 -37.61(12) . . . . ?
C2 C1 B5 B9 64.48(15) . . . . ?
C2 C1 B5 B10 2.02(16) . . . . ?
C2 C1 B6 B5 139.53(13) . . . . ?
C2 C1 B6 B10 99.38(14) . . . . ?
C2 C1 B6 B11 36.14(11) . . . . ?
C2 C3 C4 C5 2.1(3) . . . . ?
C2 B6 B10 B5 98.97(14) . . . . ?
C2 B6 B10 B9 61.45(17) . . . . ?
C2 B6 B10 B11 -38.70(12) . . . . ?
C2 B6 B10 B12 -1.96(18) . . . . ?
C2 B6 B11 B7 34.83(12) . . . . ?
C2 B6 B11 B10 135.60(13) . . . . ?
C2 B6 B11 B12 98.58(13) . . . . ?
C2 B7 B8 Ru3 -56.43(10) . . . . ?
C2 B7 B8 B4 -2.31(15) . . . . ?
C2 B7 B8 B9 59.07(15) . . . . ?
C2 B7 B8 B12 97.75(14) . . . . ?
C2 B7 B11 B6 -35.00(12) . . . . ?
C2 B7 B11 B10 -98.55(14) . . . . ?
C2 B7 B11 B12 -135.30(14) . . . . ?
C2 B7 B12 B8 -100.98(13) . . . . ?
C2 B7 B12 B9 -62.07(15) . . . . ?
C2 B7 B12 B10 1.46(17) . . . . ?
C2 B7 B12 B11 38.35(12) . . . . ?
C2 B11 B12 B7 -39.18(12) . . . . ?
C2 B11 B12 B8 -1.83(18) . . . . ?
C2 B11 B12 B9 61.65(16) . . . . ?
C2 B11 B12 B10 99.96(14) . . . . ?
Ru3 C1 C2 C3 -103.37(13) . . . . ?
Ru3 C1 C2 B6 158.32(9) . . . . ?
Ru3 C1 C2 B7 53.69(10) . . . . ?
Ru3 C1 C2 B11 120.12(11) . . . . ?
Ru3 C1 C6 C5 78.36(15) . . . . ?
Ru3 C1 B4 B5 -156.33(11) . . . . ?
Ru3 C1 B4 B8 -55.17(9) . . . . ?
Ru3 C1 B4 B9 -116.57(12) . . . . ?
Ru3 C1 B5 B4 27.16(12) . . . . ?
Ru3 C1 B5 B6 -114.64(13) . . . . ?
Ru3 C1 B5 B9 -12.56(17) . . . . ?
Ru3 C1 B5 B10 -75.01(15) . . . . ?
Ru3 C1 B6 C2 -24.81(11) . . . . ?
Ru3 C1 B6 B5 114.71(12) . . . . ?
Ru3 C1 B6 B10 74.57(15) . . . . ?
Ru3 C1 B6 B11 11.33(17) . . . . ?
Ru3 C2 C3 C4 -78.50(16) . . . . ?
Ru3 C2 B6 C1 25.35(11) . . . . ?
Ru3 C2 B6 B5 -10.00(18) . . . . ?
Ru3 C2 B6 B10 -73.49(16) . . . . ?
Ru3 C2 B6 B11 -112.98(13) . . . . ?
Ru3 C2 B7 B8 56.43(10) . . . . ?
Ru3 C2 B7 B11 157.50(11) . . . . ?
Ru3 C2 B7 B12 118.62(12) . . . . ?
Ru3 C2 B11 B6 116.17(13) . . . . ?
Ru3 C2 B11 B7 -25.15(12) . . . . ?
Ru3 C2 B11 B10 77.12(15) . . . . ?
Ru3 C2 B11 B12 14.23(18) . . . . ?
Ru3 B4 B5 C1 -26.00(11) . . . . ?
Ru3 B4 B5 B6 8.39(18) . . . . ?
Ru3 B4 B5 B9 108.41(14) . . . . ?
Ru3 B4 B5 B10 71.78(15) . . . . ?
Ru3 B4 B8 B7 -53.55(9) . . . . ?
Ru3 B4 B8 B9 -153.91(11) . . . . ?
Ru3 B4 B8 B12 -115.27(11) . . . . ?
Ru3 B4 B9 B5 -111.99(13) . . . . ?
Ru3 B4 B9 B8 27.70(11) . . . . ?
Ru3 B4 B9 B10 -75.27(15) . . . . ?
Ru3 B4 B9 B12 -11.67(17) . . . . ?
Ru3 B7 B8 B4 54.12(9) . . . . ?
Ru3 B7 B8 B9 115.50(11) . . . . ?
Ru3 B7 B8 B12 154.18(11) . . . . ?
Ru3 B7 B11 C2 24.67(12) . . . . ?
Ru3 B7 B11 B6 -10.33(18) . . . . ?
Ru3 B7 B11 B10 -73.88(16) . . . . ?
Ru3 B7 B11 B12 -110.63(14) . . . . ?
Ru3 B7 B12 B8 -28.28(12) . . . . ?
Ru3 B7 B12 B9 10.64(18) . . . . ?
Ru3 B7 B12 B10 74.17(16) . . . . ?
Ru3 B7 B12 B11 111.06(14) . . . . ?
Ru3 B8 B9 B4 -27.53(11) . . . . ?
Ru3 B8 B9 B5 9.41(18) . . . . ?
Ru3 B8 B9 B10 73.85(16) . . . . ?
Ru3 B8 B9 B12 108.64(13) . . . . ?
Ru3 B8 B12 B7 26.91(12) . . . . ?
Ru3 B8 B12 B9 -109.29(13) . . . . ?
Ru3 B8 B12 B10 -74.50(16) . . . . ?
Ru3 B8 B12 B11 -10.12(19) . . . . ?
C3 C2 B6 C1 -112.45(14) . . . . ?
C3 C2 B6 B5 -147.79(14) . . . . ?
C3 C2 B6 B10 148.72(14) . . . . ?
C3 C2 B6 B11 109.23(14) . . . . ?
C3 C2 B7 Ru3 99.77(15) . . . . ?
C3 C2 B7 B8 156.20(15) . . . . ?
C3 C2 B7 B11 -102.73(17) . . . . ?
C3 C2 B7 B12 -141.61(16) . . . . ?
C3 C2 B11 B6 -99.41(15) . . . . ?
C3 C2 B11 B7 119.27(15) . . . . ?
C3 C2 B11 B10 -138.46(14) . . . . ?
C3 C2 B11 B12 158.65(14) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
C6 C1 C2 Ru3 102.46(13) . . . . ?
C6 C1 C2 C3 -0.9(2) . . . . ?
C6 C1 C2 B6 -99.21(14) . . . . ?
C6 C1 C2 B7 156.15(13) . . . . ?
C6 C1 C2 B11 -137.42(14) . . . . ?
C6 C1 B4 Ru3 -100.68(14) . . . . ?
C6 C1 B4 B5 102.99(16) . . . . ?
C6 C1 B4 B8 -155.84(14) . . . . ?
C6 C1 B4 B9 142.75(15) . . . . ?
C6 C1 B5 B4 -117.75(15) . . . . ?
C6 C1 B5 B6 100.46(14) . . . . ?
C6 C1 B5 B9 -157.46(13) . . . . ?
C6 C1 B5 B10 140.09(14) . . . . ?
C6 C1 B6 C2 112.19(13) . . . . ?
C6 C1 B6 B5 -108.28(14) . . . . ?
C6 C1 B6 B10 -148.43(13) . . . . ?
C6 C1 B6 B11 148.33(13) . . . . ?
B4 C1 C2 Ru3 -53.46(10) . . . . ?
B4 C1 C2 C3 -156.83(13) . . . . ?
B4 C1 C2 B6 104.86(13) . . . . ?
B4 C1 C2 B7 0.23(16) . . . . ?
B4 C1 C2 B11 66.66(15) . . . . ?
B4 C1 C6 C5 155.35(14) . . . . ?
B4 C1 B5 B6 -141.79(13) . . . . ?
B4 C1 B5 B9 -39.71(12) . . . . ?
B4 C1 B5 B10 -102.16(14) . . . . ?
B4 C1 B6 C2 -103.08(13) . . . . ?
B4 C1 B6 B5 36.45(13) . . . . ?
B4 C1 B6 B10 -3.70(17) . . . . ?
B4 C1 B6 B11 -66.93(16) . . . . ?
B4 B5 B6 C1 -33.84(12) . . . . ?
B4 B5 B6 C2 0.57(17) . . . . ?
B4 B5 B6 B10 100.94(14) . . . . ?
B4 B5 B6 B11 62.57(16) . . . . ?
B4 B5 B9 B8 -37.75(13) . . . . ?
B4 B5 B9 B10 -139.19(14) . . . . ?
B4 B5 B9 B12 -101.82(14) . . . . ?
B4 B5 B10 B6 -101.25(14) . . . . ?
B4 B5 B10 B9 36.57(12) . . . . ?
B4 B5 B10 B11 -63.89(16) . . . . ?
B4 B5 B10 B12 -0.97(17) . . . . ?
B4 B8 B9 B5 36.93(12) . . . . ?
B4 B8 B9 B10 101.38(14) . . . . ?
B4 B8 B9 B12 136.16(13) . . . . ?
B4 B8 B12 B7 98.10(12) . . . . ?
B4 B8 B12 B9 -38.10(11) . . . . ?
B4 B8 B12 B10 -3.31(17) . . . . ?
B4 B8 B12 B11 61.07(16) . . . . ?
B4 B9 B10 B5 -36.83(13) . . . . ?
B4 B9 B10 B6 0.46(18) . . . . ?
B4 B9 B10 B11 63.13(17) . . . . ?
B4 B9 B10 B12 101.26(14) . . . . ?
B4 B9 B12 B7 0.81(17) . . . . ?
B4 B9 B12 B8 40.33(12) . . . . ?
B4 B9 B12 B10 -101.29(14) . . . . ?
B4 B9 B12 B11 -62.88(16) . . . . ?
B5 C1 C2 Ru3 -121.00(10) . . . . ?
B5 C1 C2 C3 135.63(14) . . . . ?
B5 C1 C2 B6 37.33(12) . . . . ?
B5 C1 C2 B7 -67.31(15) . . . . ?
B5 C1 C2 B11 -0.88(16) . . . . ?
B5 C1 C6 C5 -131.74(15) . . . . ?
B5 C1 B4 Ru3 156.33(11) . . . . ?
B5 C1 B4 B8 101.17(13) . . . . ?
B5 C1 B4 B9 39.76(12) . . . . ?
B5 C1 B6 C2 -139.53(13) . . . . ?
B5 C1 B6 B10 -40.15(13) . . . . ?
B5 C1 B6 B11 -103.39(14) . . . . ?
B5 B4 B8 Ru3 117.94(11) . . . . ?
B5 B4 B8 B7 64.39(14) . . . . ?
B5 B4 B8 B9 -35.97(12) . . . . ?
B5 B4 B8 B12 2.67(16) . . . . ?
B5 B4 B9 B8 139.69(13) . . . . ?
B5 B4 B9 B10 36.73(13) . . . . ?
B5 B4 B9 B12 100.32(14) . . . . ?
B5 B6 B10 B9 -37.52(13) . . . . ?
B5 B6 B10 B11 -137.67(14) . . . . ?
B5 B6 B10 B12 -100.93(14) . . . . ?
B5 B6 B11 C2 -97.20(13) . . . . ?
B5 B6 B11 B7 -62.37(16) . . . . ?
B5 B6 B11 B10 38.40(13) . . . . ?
B5 B6 B11 B12 1.38(18) . . . . ?
B5 B9 B10 B6 37.29(13) . . . . ?
B5 B9 B10 B11 99.96(14) . . . . ?
B5 B9 B10 B12 138.09(13) . . . . ?
B5 B9 B12 B7 64.65(16) . . . . ?
B5 B9 B12 B8 104.17(14) . . . . ?
B5 B9 B12 B10 -37.44(12) . . . . ?
B5 B9 B12 B11 0.97(17) . . . . ?
B5 B10 B11 C2 1.86(17) . . . . ?
B5 B10 B11 B6 -37.32(12) . . . . ?
B5 B10 B11 B7 64.65(17) . . . . ?
B5 B10 B11 B12 101.38(14) . . . . ?
B5 B10 B12 B7 -62.49(17) . . . . ?
B5 B10 B12 B8 2.72(18) . . . . ?
B5 B10 B12 B9 37.46(12) . . . . ?
B5 B10 B12 B11 -99.46(14) . . . . ?
B6 C1 C2 Ru3 -158.32(9) . . . . ?
B6 C1 C2 C3 98.31(15) . . . . ?
B6 C1 C2 B7 -104.63(13) . . . . ?
B6 C1 C2 B11 -38.21(12) . . . . ?
B6 C1 C6 C5 -65.13(18) . . . . ?
B6 C1 B4 Ru3 120.50(12) . . . . ?
B6 C1 B4 B5 -35.84(13) . . . . ?
B6 C1 B4 B8 65.33(15) . . . . ?
B6 C1 B4 B9 3.92(17) . . . . ?
B6 C1 B5 B4 141.79(13) . . . . ?
B6 C1 B5 B9 102.08(14) . . . . ?
B6 C1 B5 B10 39.63(12) . . . . ?
B6 C2 C3 C4 66.02(18) . . . . ?
B6 C2 B7 Ru3 -121.41(11) . . . . ?
B6 C2 B7 B8 -64.98(15) . . . . ?
B6 C2 B7 B11 36.09(13) . . . . ?
B6 C2 B7 B12 -2.79(17) . . . . ?
B6 C2 B11 B7 -141.32(13) . . . . ?
B6 C2 B11 B10 -39.05(12) . . . . ?
B6 C2 B11 B12 -101.95(14) . . . . ?
B6 B5 B9 B4 101.69(14) . . . . ?
B6 B5 B9 B8 63.94(17) . . . . ?
B6 B5 B9 B10 -37.50(12) . . . . ?
B6 B5 B9 B12 -0.13(17) . . . . ?
B6 B5 B10 B9 137.82(14) . . . . ?
B6 B5 B10 B11 37.36(12) . . . . ?
B6 B5 B10 B12 100.27(14) . . . . ?
B6 B10 B11 C2 39.18(12) . . . . ?
B6 B10 B11 B7 101.97(14) . . . . ?
B6 B10 B11 B12 138.70(14) . . . . ?
B6 B10 B12 B7 0.31(18) . . . . ?
B6 B10 B12 B8 65.52(17) . . . . ?
B6 B10 B12 B9 100.25(14) . . . . ?
B6 B10 B12 B11 -36.67(13) . . . . ?
B6 B11 B12 B7 -102.27(14) . . . . ?
B6 B11 B12 B8 -64.92(17) . . . . ?
B6 B11 B12 B9 -1.44(17) . . . . ?
B6 B11 B12 B10 36.87(13) . . . . ?
B7 C2 C3 C4 -154.49(15) . . . . ?
B7 C2 B6 C1 101.86(13) . . . . ?
B7 C2 B6 B5 66.51(16) . . . . ?
B7 C2 B6 B10 3.02(17) . . . . ?
B7 C2 B6 B11 -36.47(13) . . . . ?
B7 C2 B11 B6 141.32(13) . . . . ?
B7 C2 B11 B10 102.27(14) . . . . ?
B7 C2 B11 B12 39.38(13) . . . . ?
B7 B8 B9 B4 -97.84(12) . . . . ?
B7 B8 B9 B5 -60.91(17) . . . . ?
B7 B8 B9 B10 3.53(17) . . . . ?
B7 B8 B9 B12 38.32(12) . . . . ?
B7 B8 B12 B9 -136.20(13) . . . . ?
B7 B8 B12 B10 -101.41(14) . . . . ?
B7 B8 B12 B11 -37.03(13) . . . . ?
B7 B11 B12 B8 37.35(13) . . . . ?
B7 B11 B12 B9 100.83(14) . . . . ?
B7 B11 B12 B10 139.14(14) . . . . ?
B8 B4 B5 C1 -98.85(12) . . . . ?
B8 B4 B5 B6 -64.46(15) . . . . ?
B8 B4 B5 B9 35.56(12) . . . . ?
B8 B4 B5 B10 -1.06(16) . . . . ?
B8 B4 B9 B5 -139.69(13) . . . . ?
B8 B4 B9 B10 -102.96(14) . . . . ?
B8 B4 B9 B12 -39.37(12) . . . . ?
B8 B7 B11 C2 99.09(13) . . . . ?
B8 B7 B11 B6 64.10(16) . . . . ?
B8 B7 B11 B10 0.54(17) . . . . ?
B8 B7 B11 B12 -36.21(13) . . . . ?
B8 B7 B12 B9 38.91(12) . . . . ?
B8 B7 B12 B10 102.44(15) . . . . ?
B8 B7 B12 B11 139.33(14) . . . . ?
B8 B9 B10 B5 -103.20(14) . . . . ?
B8 B9 B10 B6 -65.91(17) . . . . ?
B8 B9 B10 B11 -3.23(18) . . . . ?
B8 B9 B10 B12 34.90(12) . . . . ?
B8 B9 B12 B7 -39.52(12) . . . . ?
B8 B9 B12 B10 -141.62(13) . . . . ?
B8 B9 B12 B11 -103.21(14) . . . . ?
B9 B4 B5 C1 -134.41(13) . . . . ?
B9 B4 B5 B6 -100.02(15) . . . . ?
B9 B4 B5 B10 -36.63(13) . . . . ?
B9 B4 B8 Ru3 153.91(11) . . . . ?
B9 B4 B8 B7 100.36(13) . . . . ?
B9 B4 B8 B12 38.64(12) . . . . ?
B9 B5 B6 C1 -97.18(13) . . . . ?
B9 B5 B6 C2 -62.77(15) . . . . ?
B9 B5 B6 B10 37.60(12) . . . . ?
B9 B5 B6 B11 -0.77(17) . . . . ?
B9 B5 B10 B6 -137.82(14) . . . . ?
B9 B5 B10 B11 -100.46(14) . . . . ?
B9 B5 B10 B12 -37.55(12) . . . . ?
B9 B8 B12 B7 136.20(13) . . . . ?
B9 B8 B12 B10 34.79(12) . . . . ?
B9 B8 B12 B11 99.17(15) . . . . ?
B9 B10 B11 C2 -61.18(16) . . . . ?
B9 B10 B11 B6 -100.36(14) . . . . ?
B9 B10 B11 B7 1.62(18) . . . . ?
B9 B10 B11 B12 38.34(13) . . . . ?
B9 B10 B12 B7 -99.95(14) . . . . ?
B9 B10 B12 B8 -34.74(12) . . . . ?
B9 B10 B12 B11 -136.92(14) . . . . ?
B10 B5 B6 C1 -134.78(13) . . . . ?
B10 B5 B6 C2 -100.37(14) . . . . ?
B10 B5 B6 B11 -38.37(13) . . . . ?
B10 B5 B9 B4 139.19(14) . . . . ?
B10 B5 B9 B8 101.44(15) . . . . ?
B10 B5 B9 B12 37.37(13) . . . . ?
B10 B6 B11 C2 -135.60(13) . . . . ?
B10 B6 B11 B7 -100.77(14) . . . . ?
B10 B6 B11 B12 -37.02(13) . . . . ?
B10 B9 B12 B7 102.10(14) . . . . ?
B10 B9 B12 B8 141.62(13) . . . . ?
B10 B9 B12 B11 38.41(12) . . . . ?
B10 B11 B12 B7 -139.14(14) . . . . ?
B10 B11 B12 B8 -101.79(15) . . . . ?
B10 B11 B12 B9 -38.31(13) . . . . ?
B11 C2 C3 C4 132.54(16) . . . . ?
B11 C2 B6 C1 138.33(12) . . . . ?
B11 C2 B6 B5 102.98(14) . . . . ?
B11 C2 B6 B10 39.50(13) . . . . ?
B11 C2 B7 Ru3 -157.50(11) . . . . ?
B11 C2 B7 B8 -101.07(14) . . . . ?
B11 C2 B7 B12 -38.89(12) . . . . ?
B11 B6 B10 B5 137.67(14) . . . . ?
B11 B6 B10 B9 100.15(15) . . . . ?
B11 B6 B10 B12 36.74(13) . . . . ?
B11 B7 B8 Ru3 -117.98(12) . . . . ?
B11 B7 B8 B4 -63.86(15) . . . . ?
B11 B7 B8 B9 -2.48(17) . . . . ?
B11 B7 B8 B12 36.20(13) . . . . ?
B11 B7 B12 B8 -139.33(14) . . . . ?
B11 B7 B12 B9 -100.42(15) . . . . ?
B11 B7 B12 B10 -36.89(13) . . . . ?
B11 B10 B12 B7 36.97(13) . . . . ?
B11 B10 B12 B8 102.18(14) . . . . ?
B11 B10 B12 B9 136.92(14) . . . . ?
B12 B7 B8 Ru3 -154.18(11) . . . . ?
B12 B7 B8 B4 -100.06(13) . . . . ?
B12 B7 B8 B9 -38.68(12) . . . . ?
B12 B7 B11 C2 135.30(14) . . . . ?
B12 B7 B11 B6 100.30(15) . . . . ?
B12 B7 B11 B10 36.75(13) . . . . ?
B12 B8 B9 B4 -136.16(13) . . . . ?
B12 B8 B9 B5 -99.23(15) . . . . ?
B12 B8 B9 B10 -34.79(13) . . . . ?
B12 B9 B10 B5 -138.09(13) . . . . ?
B12 B9 B10 B6 -100.80(15) . . . . ?
B12 B9 B10 B11 -38.13(13) . . . . ?
B12 B10 B11 C2 -99.52(13) . . . . ?
B12 B10 B11 B6 -138.70(14) . . . . ?
B12 B10 B11 B7 -36.72(13) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_pca21
_database_code_depnum_ccdc_archive 'CCDC 1479551'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-06-07 downloaded from the CCDC.
;
_audit_creation_date             2016-04-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H22 B9 Co'
_chemical_formula_sum            'C19 H22 B9 Co'
_chemical_formula_weight         406.58
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -y, z'

_cell_length_a                   21.4471(12)
_cell_length_b                   13.2284(8)
_cell_length_c                   13.4064(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3803.5(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7392
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.410
_cell_measurement_theta_min      2.432
_shelx_estimated_absorpt_T_max   0.965
_shelx_estimated_absorpt_T_min   0.725
_exptl_absorpt_coefficient_mu    0.905
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6604
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0818 before and 0.0688 after correction.
The Ratio of minimum to maximum transmission is 0.8856.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0778
_diffrn_reflns_av_unetI/netI     0.0619
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            65654
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.611
_diffrn_reflns_theta_min         2.362
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.920
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                7791
_reflns_number_total             9696
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.506
_refine_diff_density_min         -0.649
_refine_diff_density_rms         0.070
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.49(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     584
_refine_ls_number_reflns         9696
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0484
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0495P)²+0.3674P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.1077
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.51(2) 0.49(2)
2. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
3.a Ternary CH refined with riding coordinates:
 C31'(H31'), C32'(H32'), C33'(H33'), C34'(H34'), C35'(H35'), C31(H31),
 C32(H32), C33(H33), C34(H34), C35(H35)
3.b Aromatic/amide H refined with riding coordinates:
 C12'(H12A), C13'(H13'), C14'(H14'), C18'(H18'), C19'(H19'), C20'(H20'),
 C21'(H21'), C12(H12B), C13(H13), C14(H14), C18(H18), C19(H19), C20(H20),
 C21(H21)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1' C 0.0820(2) -0.0060(3) 0.4847(4) 0.0153(10) Uani 1 1 d . . . . .
C2' C 0.1324(2) -0.0703(4) 0.4216(4) 0.0177(11) Uani 1 1 d . . . . .
Co3' Co 0.13277(3) 0.07890(5) 0.38712(4) 0.01667(16) Uani 1 1 d . . . . .
B4' B 0.1153(3) 0.1026(5) 0.5368(5) 0.0200(13) Uani 1 1 d . . . . .
H4' H 0.085(2) 0.171(4) 0.551(4) 0.024 Uiso 1 1 d R . . . .
B5' B 0.0994(3) -0.0078(5) 0.6107(4) 0.0209(12) Uani 1 1 d . . . . .
H5' H 0.057(2) -0.001(4) 0.652(4) 0.025 Uiso 1 1 d R . . . .
B6' B 0.1098(3) -0.1170(5) 0.5391(4) 0.0196(12) Uani 1 1 d . . . . .
H6' H 0.080(2) -0.179(4) 0.541(4) 0.024 Uiso 1 1 d R . . . .
B7' B 0.2056(3) -0.0151(5) 0.4257(4) 0.0200(12) Uani 1 1 d . . . . .
H7' H 0.239(2) -0.027(3) 0.370(4) 0.024 Uiso 1 1 d R . . . .
B8' B 0.1975(3) 0.0959(5) 0.5032(5) 0.0243(13) Uani 1 1 d . . . . .
H8' H 0.223(2) 0.151(4) 0.496(4) 0.029 Uiso 1 1 d R . . . .
B9' B 0.1719(3) 0.0537(5) 0.6225(5) 0.0249(13) Uani 1 1 d . . . . .
H9' H 0.182(2) 0.100(4) 0.697(5) 0.030 Uiso 1 1 d R . . . .
B10' B 0.1680(3) -0.0803(5) 0.6216(5) 0.0262(14) Uani 1 1 d . . . . .
C10' C 0.0154(2) -0.0141(3) 0.4544(4) 0.0147(9) Uani 1 1 d . . . . .
H10' H 0.175(2) -0.131(4) 0.692(4) 0.018 Uiso 1 1 d R . . . .
B11' B 0.1877(3) -0.1235(5) 0.5014(5) 0.0227(12) Uani 1 1 d . . . . .
C11' C -0.0289(2) 0.0443(4) 0.5045(4) 0.0199(11) Uani 1 1 d . . . . .
H11A H -0.013(2) 0.096(4) 0.556(4) 0.024 Uiso 1 1 d R . . . .
B12' B 0.2274(3) -0.0185(5) 0.5529(5) 0.0260(14) Uani 1 1 d . . . . .
H12' H 0.275(3) -0.028(4) 0.577(4) 0.031 Uiso 1 1 d R . . . .
C12' C -0.0915(2) 0.0365(4) 0.4816(4) 0.0230(11) Uani 1 1 d . . . . .
H12A H -0.1213 0.0769 0.5156 0.028 Uiso 1 1 calc R . . . .
C13' C -0.1105(2) -0.0311(4) 0.4080(4) 0.0236(12) Uani 1 1 d . . . . .
H13' H -0.1535 -0.0383 0.3927 0.028 Uiso 1 1 calc R . . . .
C14' C -0.0670(2) -0.0874(3) 0.3578(4) 0.0197(11) Uani 1 1 d . . . . .
H14' H -0.0808 -0.1335 0.3082 0.024 Uiso 1 1 calc R . . . .
C15' C -0.0031(2) -0.0800(3) 0.3766(4) 0.0160(9) Uani 1 1 d . . . . .
C16' C 0.04353(19) -0.1373(3) 0.3170(4) 0.0160(9) Uani 1 1 d . . . . .
C17' C 0.1080(2) -0.1328(3) 0.3374(3) 0.0153(10) Uani 1 1 d . . . . .
C18' C 0.1504(2) -0.1833(4) 0.2764(4) 0.0221(11) Uani 1 1 d . . . . .
H18' H 0.1938 -0.1794 0.2905 0.026 Uiso 1 1 calc R . . . .
C19' C 0.1300(2) -0.2393(4) 0.1952(4) 0.0256(12) Uani 1 1 d . . . . .
H19' H 0.1592 -0.2735 0.1540 0.031 Uiso 1 1 calc R . . . .
C20' C 0.0670(3) -0.2450(4) 0.1746(4) 0.0268(12) Uani 1 1 d . . . . .
H20' H 0.0528 -0.2837 0.1194 0.032 Uiso 1 1 calc R . . . .
C21' C 0.0248(2) -0.1945(4) 0.2344(4) 0.0211(11) Uani 1 1 d . . . . .
H21' H -0.0183 -0.1988 0.2190 0.025 Uiso 1 1 calc R . . . .
C31' C 0.0786(3) 0.1039(5) 0.2622(5) 0.0389(16) Uani 1 1 d . . . . .
H31' H 0.0422 0.0621 0.2406 0.047 Uiso 1 1 calc R . . . .
C32' C 0.1398(4) 0.0890(5) 0.2345(5) 0.046(2) Uani 1 1 d . . . . .
H32' H 0.1554 0.0349 0.1888 0.056 Uiso 1 1 calc R . . . .
C33' C 0.1754(3) 0.1617(6) 0.2805(5) 0.047(2) Uani 1 1 d . . . . .
H33' H 0.2216 0.1696 0.2728 0.057 Uiso 1 1 calc R . . . .
C34' C 0.1372(3) 0.2237(4) 0.3373(5) 0.0474(19) Uani 1 1 d . . . . .
H34' H 0.1505 0.2843 0.3766 0.057 Uiso 1 1 calc R . . . .
C35' C 0.0763(3) 0.1872(5) 0.3262(5) 0.0422(16) Uani 1 1 d . . . . .
H35' H 0.0379 0.2164 0.3574 0.051 Uiso 1 1 calc R . . . .
H11' H 0.203(3) -0.199(5) 0.473(5) 0.051 Uiso 1 1 d R . . . .
C1 C 0.4107(2) 0.4962(3) 0.2254(3) 0.0153(10) Uani 1 1 d . . . . .
C2 C 0.3572(2) 0.4399(4) 0.2907(3) 0.0142(10) Uani 1 1 d . . . . .
Co3 Co 0.36355(3) 0.59295(5) 0.31693(4) 0.01540(15) Uani 1 1 d . . . . .
B4 B 0.3821(3) 0.6031(5) 0.1656(5) 0.0195(13) Uani 1 1 d . . . . .
H4 H 0.413(2) 0.662(4) 0.148(4) 0.023 Uiso 1 1 d R . . . .
B5 B 0.3951(3) 0.4872(4) 0.1007(4) 0.0213(12) Uani 1 1 d . . . . .
H5 H 0.439(2) 0.473(4) 0.049(4) 0.026 Uiso 1 1 d R . . . .
B6 B 0.3789(3) 0.3834(5) 0.1789(4) 0.0219(12) Uani 1 1 d . . . . .
H6 H 0.412(2) 0.312(4) 0.185(4) 0.026 Uiso 1 1 d R . . . .
B7 B 0.2860(3) 0.5062(4) 0.2828(5) 0.0205(13) Uani 1 1 d . . . . .
H7 H 0.256(2) 0.502(3) 0.350(4) 0.025 Uiso 1 1 d R . . . .
B8 B 0.3005(3) 0.6103(5) 0.1985(5) 0.0222(13) Uani 1 1 d . . . . .
H8 H 0.271(2) 0.683(4) 0.203(4) 0.027 Uiso 1 1 d R . . . .
B9 B 0.3255(3) 0.5571(5) 0.0820(5) 0.0239(13) Uani 1 1 d . . . . .
H9 H 0.313(2) 0.601(4) 0.017(5) 0.029 Uiso 1 1 d R . . . .
B10 B 0.3221(3) 0.4228(5) 0.0900(5) 0.0241(14) Uani 1 1 d . . . . .
H10 H 0.311(2) 0.375(4) 0.028(4) 0.029 Uiso 1 1 d R . . . .
C10 C 0.4767(2) 0.4831(3) 0.2592(4) 0.0148(10) Uani 1 1 d . . . . .
B11 B 0.3001(3) 0.3924(5) 0.2143(5) 0.0229(13) Uani 1 1 d . . . . .
H11 H 0.278(2) 0.320(4) 0.236(4) 0.028 Uiso 1 1 d R . . . .
C11 C 0.5233(2) 0.5338(4) 0.2078(4) 0.0210(11) Uani 1 1 d . . . . .
H11B H 0.515(2) 0.574(4) 0.156(5) 0.025 Uiso 1 1 d R . . . .
B12 B 0.2654(3) 0.4973(5) 0.1543(5) 0.0230(13) Uani 1 1 d . . . . .
H12 H 0.216(2) 0.493(4) 0.133(4) 0.028 Uiso 1 1 d R . . . .
C12 C 0.5852(2) 0.5263(4) 0.2359(4) 0.0209(11) Uani 1 1 d . . . . .
H12B H 0.6166 0.5626 0.2009 0.025 Uiso 1 1 calc R . . . .
C13 C 0.6007(2) 0.4648(4) 0.3160(5) 0.0242(10) Uani 1 1 d . . . . .
H13 H 0.6430 0.4584 0.3360 0.029 Uiso 1 1 calc R . . . .
C14 C 0.5547(2) 0.4130(3) 0.3668(4) 0.0191(10) Uani 1 1 d . . . . .
H14 H 0.5663 0.3705 0.4209 0.023 Uiso 1 1 calc R . . . .
C15 C 0.4915(2) 0.4211(3) 0.3412(4) 0.0154(10) Uani 1 1 d . . . . .
C16 C 0.4419(2) 0.3705(3) 0.4005(4) 0.0158(10) Uani 1 1 d . . . . .
C17 C 0.3785(2) 0.3807(3) 0.3791(4) 0.0167(9) Uani 1 1 d . . . . .
C18 C 0.3333(2) 0.3367(4) 0.4404(4) 0.0216(11) Uani 1 1 d . . . . .
H18 H 0.2903 0.3456 0.4254 0.026 Uiso 1 1 calc R . . . .
C19 C 0.3504(2) 0.2806(4) 0.5227(4) 0.0259(11) Uani 1 1 d . . . . .
H19 H 0.3196 0.2504 0.5640 0.031 Uiso 1 1 calc R . . . .
C20 C 0.4136(2) 0.2686(4) 0.5445(4) 0.0251(11) Uani 1 1 d . . . . .
H20 H 0.4259 0.2303 0.6010 0.030 Uiso 1 1 calc R . . . .
C21 C 0.4579(2) 0.3120(3) 0.4844(4) 0.0205(10) Uani 1 1 d . . . . .
H21 H 0.5007 0.3022 0.4999 0.025 Uiso 1 1 calc R . . . .
C31 C 0.4323(2) 0.6532(5) 0.4080(5) 0.0351(15) Uani 1 1 d . . . . .
H31 H 0.4778 0.6370 0.4043 0.042 Uiso 1 1 calc R . . . .
C32 C 0.3886(4) 0.6030(4) 0.4664(4) 0.0375(17) Uani 1 1 d . . . . .
H32 H 0.3974 0.5446 0.5117 0.045 Uiso 1 1 calc R . . . .
C33 C 0.3299(3) 0.6477(5) 0.4505(4) 0.0351(15) Uani 1 1 d . . . . .
H33 H 0.2899 0.6281 0.4834 0.042 Uiso 1 1 calc R . . . .
C34 C 0.3382(2) 0.7269(4) 0.3804(5) 0.0308(12) Uani 1 1 d . . . . .
H34 H 0.3051 0.7737 0.3556 0.037 Uiso 1 1 calc R . . . .
C35 C 0.4020(3) 0.7301(4) 0.3544(4) 0.0331(13) Uani 1 1 d . . . . .
H35 H 0.4220 0.7791 0.3076 0.040 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1' C2' 1.615(6) . ?
C1' Co3' 2.039(5) . ?
C1' B4' 1.750(8) . ?
C1' B5' 1.730(8) . ?
C1' B6' 1.745(7) . ?
C1' C10' 1.488(6) . ?
C2' Co3' 2.027(5) . ?
C2' B6' 1.760(8) . ?
C2' B7' 1.733(7) . ?
C2' B11' 1.746(8) . ?
C2' C17' 1.494(6) . ?
Co3' B4' 2.065(6) . ?
Co3' B7' 2.063(6) . ?
Co3' B8' 2.097(6) . ?
Co3' C31' 2.064(6) . ?
Co3' C32' 2.056(7) . ?
Co3' C33' 2.020(6) . ?
Co3' C34' 2.031(5) . ?
Co3' C35' 2.046(5) . ?
B4' H4' 1.12(5) . ?
B4' B5' 1.797(9) . ?
B4' B8' 1.820(9) . ?
B4' B9' 1.792(9) . ?
B5' H5' 1.07(5) . ?
B5' B6' 1.749(9) . ?
B5' B9' 1.763(8) . ?
B5' B10' 1.763(9) . ?
B6' H6' 1.05(5) . ?
B6' B10' 1.737(9) . ?
B6' B11' 1.748(8) . ?
B7' H7' 1.04(5) . ?
B7' B8' 1.808(9) . ?
B7' B11' 1.798(9) . ?
B7' B12' 1.769(9) . ?
B8' H8' 0.92(5) . ?
B8' B9' 1.781(9) . ?
B8' B12' 1.774(9) . ?
B9' H9' 1.19(6) . ?
B9' B10' 1.775(9) . ?
B9' B12' 1.789(9) . ?
B10' H10' 1.17(5) . ?
B10' B11' 1.761(9) . ?
B10' B12' 1.771(9) . ?
C10' C11' 1.397(7) . ?
C10' C15' 1.416(7) . ?
B11' B12' 1.770(9) . ?
B11' H11' 1.11(6) . ?
C11' H11A 1.04(5) . ?
C11' C12' 1.381(7) . ?
B12' H12' 1.08(5) . ?
C12' H12A 0.9500 . ?
C12' C13' 1.392(7) . ?
C13' H13' 0.9500 . ?
C13' C14' 1.371(7) . ?
C14' H14' 0.9500 . ?
C14' C15' 1.395(6) . ?
C15' C16' 1.488(7) . ?
C16' C17' 1.411(6) . ?
C16' C21' 1.400(7) . ?
C17' C18' 1.394(6) . ?
C18' H18' 0.9500 . ?
C18' C19' 1.387(7) . ?
C19' H19' 0.9500 . ?
C19' C20' 1.380(7) . ?
C20' H20' 0.9500 . ?
C20' C21' 1.382(7) . ?
C21' H21' 0.9500 . ?
C31' H31' 1.0000 . ?
C31' C32' 1.377(9) . ?
C31' C35' 1.398(9) . ?
C32' H32' 1.0000 . ?
C32' C33' 1.375(10) . ?
C33' H33' 1.0000 . ?
C33' C34' 1.387(9) . ?
C34' H34' 1.0000 . ?
C34' C35' 1.401(8) . ?
C35' H35' 1.0000 . ?
C1 C2 1.625(6) . ?
C1 Co3 2.042(5) . ?
C1 B4 1.738(8) . ?
C1 B5 1.709(8) . ?
C1 B6 1.756(7) . ?
C1 C10 1.495(6) . ?
C2 Co3 2.060(5) . ?
C2 B6 1.738(8) . ?
C2 B7 1.763(7) . ?
C2 B11 1.714(7) . ?
C2 C17 1.492(6) . ?
Co3 B4 2.072(6) . ?
Co3 B7 2.071(6) . ?
Co3 B8 2.098(6) . ?
Co3 C31 2.074(5) . ?
Co3 C32 2.079(6) . ?
Co3 C33 2.062(5) . ?
Co3 C34 2.040(5) . ?
Co3 C35 2.055(5) . ?
B4 H4 1.05(5) . ?
B4 B5 1.785(9) . ?
B4 B8 1.807(9) . ?
B4 B9 1.760(9) . ?
B5 H5 1.19(5) . ?
B5 B6 1.762(9) . ?
B5 B9 1.773(8) . ?
B5 B10 1.787(9) . ?
B6 H6 1.18(5) . ?
B6 B10 1.782(8) . ?
B6 B11 1.758(8) . ?
B7 H7 1.11(5) . ?
B7 B8 1.809(9) . ?
B7 B11 1.789(8) . ?
B7 B12 1.782(9) . ?
B8 H8 1.16(5) . ?
B8 B9 1.795(9) . ?
B8 B12 1.776(9) . ?
B9 H9 1.08(6) . ?
B9 B10 1.782(9) . ?
B9 B12 1.796(9) . ?
B10 H10 1.07(5) . ?
B10 B11 1.778(9) . ?
B10 B12 1.787(9) . ?
C10 C11 1.388(7) . ?
C10 C15 1.408(7) . ?
B11 H11 1.11(5) . ?
B11 B12 1.768(9) . ?
C11 H11B 0.89(6) . ?
C11 C12 1.383(7) . ?
B12 H12 1.10(5) . ?
C12 H12B 0.9500 . ?
C12 C13 1.388(8) . ?
C13 H13 0.9500 . ?
C13 C14 1.380(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.403(6) . ?
C15 C16 1.488(6) . ?
C16 C17 1.396(6) . ?
C16 C21 1.408(6) . ?
C17 C18 1.399(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.380(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.394(7) . ?
C20 H20 0.9500 . ?
C20 C21 1.372(7) . ?
C21 H21 0.9500 . ?
C31 H31 1.0000 . ?
C31 C32 1.390(9) . ?
C31 C35 1.405(8) . ?
C32 H32 1.0000 . ?
C32 C33 1.408(9) . ?
C33 H33 1.0000 . ?
C33 C34 1.418(8) . ?
C34 H34 1.0000 . ?
C34 C35 1.411(7) . ?
C35 H35 1.0000 . ?

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
C2' C1' Co3' 66.2(2) . . ?
C2' C1' B4' 111.6(4) . . ?
C2' C1' B5' 111.1(4) . . ?
C2' C1' B6' 63.0(3) . . ?
B4' C1' Co3' 65.5(3) . . ?
B5' C1' Co3' 121.2(3) . . ?
B5' C1' B4' 62.2(3) . . ?
B5' C1' B6' 60.4(3) . . ?
B6' C1' Co3' 123.3(3) . . ?
B6' C1' B4' 112.6(4) . . ?
C10' C1' C2' 117.5(4) . . ?
C10' C1' Co3' 112.2(3) . . ?
C10' C1' B4' 124.1(4) . . ?
C10' C1' B5' 118.2(4) . . ?
C10' C1' B6' 112.4(4) . . ?
C1' C2' Co3' 67.0(2) . . ?
C1' C2' B6' 62.1(3) . . ?
C1' C2' B7' 111.6(4) . . ?
C1' C2' B11' 110.3(4) . . ?
B6' C2' Co3' 123.2(3) . . ?
B7' C2' Co3' 66.0(3) . . ?
B7' C2' B6' 111.6(4) . . ?
B7' C2' B11' 62.2(3) . . ?
B11' C2' Co3' 122.0(3) . . ?
B11' C2' B6' 59.8(3) . . ?
C17' C2' C1' 117.0(4) . . ?
C17' C2' Co3' 111.6(3) . . ?
C17' C2' B6' 112.7(4) . . ?
C17' C2' B7' 125.0(4) . . ?
C17' C2' B11' 118.5(4) . . ?
C1' Co3' B4' 50.5(2) . . ?
C1' Co3' B7' 84.9(2) . . ?
C1' Co3' B8' 86.4(2) . . ?
C1' Co3' C31' 107.9(2) . . ?
C1' Co3' C32' 135.5(3) . . ?
C1' Co3' C35' 109.0(2) . . ?
C2' Co3' C1' 46.81(18) . . ?
C2' Co3' B4' 85.7(2) . . ?
C2' Co3' B7' 50.1(2) . . ?
C2' Co3' B8' 86.4(2) . . ?
C2' Co3' C31' 109.8(2) . . ?
C2' Co3' C32' 106.9(2) . . ?
C2' Co3' C34' 173.5(2) . . ?
C2' Co3' C35' 140.4(2) . . ?
B4' Co3' B8' 51.9(2) . . ?
B7' Co3' B4' 89.1(2) . . ?
B7' Co3' B8' 51.5(2) . . ?
B7' Co3' C31' 136.6(3) . . ?
C31' Co3' B4' 131.5(3) . . ?
C31' Co3' B8' 163.1(2) . . ?
C32' Co3' B4' 166.0(3) . . ?
C32' Co3' B7' 103.5(2) . . ?
C32' Co3' B8' 133.1(3) . . ?
C32' Co3' C31' 39.1(3) . . ?
C33' Co3' C1' 174.0(3) . . ?
C33' Co3' C2' 133.7(3) . . ?
C33' Co3' B4' 133.4(3) . . ?
C33' Co3' B7' 99.3(2) . . ?
C33' Co3' B8' 99.6(3) . . ?
C33' Co3' C31' 66.0(2) . . ?
C33' Co3' C32' 39.4(3) . . ?
C33' Co3' C34' 40.1(3) . . ?
C33' Co3' C35' 66.8(2) . . ?
C34' Co3' C1' 139.1(3) . . ?
C34' Co3' B4' 100.7(3) . . ?
C34' Co3' B7' 128.0(3) . . ?
C34' Co3' B8' 96.4(2) . . ?
C34' Co3' C31' 67.0(2) . . ?
C34' Co3' C32' 66.9(3) . . ?
C34' Co3' C35' 40.2(2) . . ?
C35' Co3' B4' 100.0(3) . . ?
C35' Co3' B7' 166.1(2) . . ?
C35' Co3' B8' 127.8(3) . . ?
C35' Co3' C31' 39.8(3) . . ?
C35' Co3' C32' 66.5(2) . . ?
C1' B4' Co3' 64.0(3) . . ?
C1' B4' H4' 119(3) . . ?
C1' B4' B5' 58.4(3) . . ?
C1' B4' B8' 104.9(4) . . ?
C1' B4' B9' 103.7(4) . . ?
Co3' B4' H4' 113(3) . . ?
B5' B4' Co3' 116.6(4) . . ?
B5' B4' H4' 117(3) . . ?
B5' B4' B8' 106.3(5) . . ?
B8' B4' Co3' 65.0(3) . . ?
B8' B4' H4' 130(3) . . ?
B9' B4' Co3' 116.5(4) . . ?
B9' B4' H4' 125(3) . . ?
B9' B4' B5' 58.8(3) . . ?
B9' B4' B8' 59.1(4) . . ?
C1' B5' B4' 59.4(3) . . ?
C1' B5' H5' 109(3) . . ?
C1' B5' B6' 60.2(3) . . ?
C1' B5' B9' 105.8(4) . . ?
C1' B5' B10' 105.6(4) . . ?
B4' B5' H5' 113(3) . . ?
B6' B5' B4' 110.1(4) . . ?
B6' B5' H5' 117(3) . . ?
B6' B5' B9' 108.5(5) . . ?
B6' B5' B10' 59.3(3) . . ?
B9' B5' B4' 60.4(4) . . ?
B9' B5' H5' 132(3) . . ?
B9' B5' B10' 60.4(4) . . ?
B10' B5' B4' 109.2(4) . . ?
B10' B5' H5' 135(3) . . ?
C1' B6' C2' 54.9(3) . . ?
C1' B6' B5' 59.4(3) . . ?
C1' B6' H6' 117(3) . . ?
C1' B6' B11' 104.4(4) . . ?
C2' B6' H6' 118(3) . . ?
B5' B6' C2' 103.7(4) . . ?
B5' B6' H6' 124(3) . . ?
B10' B6' C1' 106.1(4) . . ?
B10' B6' C2' 105.9(4) . . ?
B10' B6' B5' 60.8(4) . . ?
B10' B6' H6' 130(3) . . ?
B10' B6' B11' 60.7(4) . . ?
B11' B6' C2' 59.7(3) . . ?
B11' B6' B5' 108.8(4) . . ?
B11' B6' H6' 124(3) . . ?
C2' B7' Co3' 63.8(2) . . ?
C2' B7' H7' 122(3) . . ?
C2' B7' B8' 105.8(4) . . ?
C2' B7' B11' 59.2(3) . . ?
C2' B7' B12' 105.1(4) . . ?
Co3' B7' H7' 116(3) . . ?
B8' B7' Co3' 65.2(3) . . ?
B8' B7' H7' 127(3) . . ?
B11' B7' Co3' 117.4(3) . . ?
B11' B7' H7' 115(3) . . ?
B11' B7' B8' 107.7(4) . . ?
B12' B7' Co3' 117.2(4) . . ?
B12' B7' H7' 120(3) . . ?
B12' B7' B8' 59.5(4) . . ?
B12' B7' B11' 59.5(3) . . ?
Co3' B8' H8' 114(4) . . ?
B4' B8' Co3' 63.2(3) . . ?
B4' B8' H8' 125(3) . . ?
B7' B8' Co3' 63.3(3) . . ?
B7' B8' B4' 106.0(4) . . ?
B7' B8' H8' 122(3) . . ?
B9' B8' Co3' 115.4(3) . . ?
B9' B8' B4' 59.7(3) . . ?
B9' B8' B7' 106.9(4) . . ?
B9' B8' H8' 122(4) . . ?
B12' B8' Co3' 115.3(4) . . ?
B12' B8' B4' 107.4(5) . . ?
B12' B8' B7' 59.2(4) . . ?
B12' B8' H8' 120(3) . . ?
B12' B8' B9' 60.4(4) . . ?
B4' B9' H9' 118(3) . . ?
B5' B9' B4' 60.7(3) . . ?
B5' B9' B8' 109.6(4) . . ?
B5' B9' H9' 118(3) . . ?
B5' B9' B10' 59.8(4) . . ?
B5' B9' B12' 107.1(5) . . ?
B8' B9' B4' 61.3(3) . . ?
B8' B9' H9' 122(3) . . ?
B8' B9' B12' 59.6(4) . . ?
B10' B9' B4' 108.9(4) . . ?
B10' B9' B8' 108.7(4) . . ?
B10' B9' H9' 122(3) . . ?
B10' B9' B12' 59.6(4) . . ?
B12' B9' B4' 108.0(4) . . ?
B12' B9' H9' 126(2) . . ?
B5' B10' B9' 59.8(3) . . ?
B5' B10' H10' 120(2) . . ?
B5' B10' B12' 107.8(5) . . ?
B6' B10' B5' 59.9(3) . . ?
B6' B10' B9' 108.5(4) . . ?
B6' B10' H10' 117(2) . . ?
B6' B10' B11' 59.9(4) . . ?
B6' B10' B12' 108.4(5) . . ?
B9' B10' H10' 124(2) . . ?
B11' B10' B5' 107.5(4) . . ?
B11' B10' B9' 108.7(5) . . ?
B11' B10' H10' 121(2) . . ?
B11' B10' B12' 60.1(4) . . ?
B12' B10' B9' 60.6(4) . . ?
B12' B10' H10' 126(2) . . ?
C11' C10' C1' 118.8(4) . . ?
C11' C10' C15' 120.3(4) . . ?
C15' C10' C1' 120.9(4) . . ?
C2' B11' B6' 60.5(3) . . ?
C2' B11' B7' 58.5(3) . . ?
C2' B11' B10' 105.5(4) . . ?
C2' B11' B12' 104.4(4) . . ?
C2' B11' H11' 110(3) . . ?
B6' B11' B7' 109.1(4) . . ?
B6' B11' B10' 59.3(3) . . ?
B6' B11' B12' 107.9(4) . . ?
B6' B11' H11' 115(3) . . ?
B7' B11' H11' 117(3) . . ?
B10' B11' B7' 108.0(4) . . ?
B10' B11' B12' 60.2(4) . . ?
B10' B11' H11' 132(3) . . ?
B12' B11' B7' 59.4(3) . . ?
B12' B11' H11' 134(3) . . ?
C10' C11' H11A 118(3) . . ?
C12' C11' C10' 120.9(5) . . ?
C12' C11' H11A 121(3) . . ?
B7' B12' B8' 61.4(4) . . ?
B7' B12' B9' 108.3(4) . . ?
B7' B12' B10' 108.8(4) . . ?
B7' B12' B11' 61.1(4) . . ?
B7' B12' H12' 123(3) . . ?
B8' B12' B9' 60.0(4) . . ?
B8' B12' H12' 124(3) . . ?
B9' B12' H12' 122(3) . . ?
B10' B12' B8' 109.2(4) . . ?
B10' B12' B9' 59.8(4) . . ?
B10' B12' H12' 118(3) . . ?
B11' B12' B8' 110.4(4) . . ?
B11' B12' B9' 107.6(4) . . ?
B11' B12' B10' 59.6(4) . . ?
B11' B12' H12' 119(3) . . ?
C11' C12' H12A 120.3 . . ?
C11' C12' C13' 119.3(5) . . ?
C13' C12' H12A 120.3 . . ?
C12' C13' H13' 120.1 . . ?
C14' C13' C12' 119.9(5) . . ?
C14' C13' H13' 120.1 . . ?
C13' C14' H14' 118.6 . . ?
C13' C14' C15' 122.8(5) . . ?
C15' C14' H14' 118.6 . . ?
C10' C15' C16' 121.4(4) . . ?
C14' C15' C10' 116.8(4) . . ?
C14' C15' C16' 121.8(5) . . ?
C17' C16' C15' 122.3(4) . . ?
C21' C16' C15' 120.5(4) . . ?
C21' C16' C17' 117.2(4) . . ?
C16' C17' C2' 120.8(4) . . ?
C18' C17' C2' 118.7(4) . . ?
C18' C17' C16' 120.4(4) . . ?
C17' C18' H18' 119.7 . . ?
C19' C18' C17' 120.7(5) . . ?
C19' C18' H18' 119.7 . . ?
C18' C19' H19' 120.1 . . ?
C20' C19' C18' 119.7(5) . . ?
C20' C19' H19' 120.1 . . ?
C19' C20' H20' 120.1 . . ?
C19' C20' C21' 119.9(5) . . ?
C21' C20' H20' 120.1 . . ?
C16' C21' H21' 118.9 . . ?
C20' C21' C16' 122.2(5) . . ?
C20' C21' H21' 118.9 . . ?
Co3' C31' H31' 125.9 . . ?
C32' C31' Co3' 70.2(4) . . ?
C32' C31' H31' 125.9 . . ?
C32' C31' C35' 108.2(6) . . ?
C35' C31' Co3' 69.4(3) . . ?
C35' C31' H31' 125.9 . . ?
Co3' C32' H32' 126.0 . . ?
C31' C32' Co3' 70.8(4) . . ?
C31' C32' H32' 126.0 . . ?
C33' C32' Co3' 68.9(4) . . ?
C33' C32' C31' 108.0(6) . . ?
C33' C32' H32' 126.0 . . ?
Co3' C33' H33' 125.3 . . ?
C32' C33' Co3' 71.7(4) . . ?
C32' C33' H33' 125.3 . . ?
C32' C33' C34' 109.3(6) . . ?
C34' C33' Co3' 70.4(3) . . ?
C34' C33' H33' 125.3 . . ?
Co3' C34' H34' 126.6 . . ?
C33' C34' Co3' 69.6(3) . . ?
C33' C34' H34' 126.6 . . ?
C33' C34' C35' 106.8(5) . . ?
C35' C34' Co3' 70.5(3) . . ?
C35' C34' H34' 126.6 . . ?
Co3' C35' H35' 126.2 . . ?
C31' C35' Co3' 70.8(3) . . ?
C31' C35' C34' 107.6(5) . . ?
C31' C35' H35' 126.2 . . ?
C34' C35' Co3' 69.3(3) . . ?
C34' C35' H35' 126.2 . . ?
C2 C1 Co3 67.2(2) . . ?
C2 C1 B4 111.8(4) . . ?
C2 C1 B5 110.8(4) . . ?
C2 C1 B6 61.7(3) . . ?
B4 C1 Co3 65.9(3) . . ?
B4 C1 B6 112.9(4) . . ?
B5 C1 Co3 122.3(3) . . ?
B5 C1 B4 62.3(3) . . ?
B5 C1 B6 61.1(3) . . ?
B6 C1 Co3 123.6(3) . . ?
C10 C1 C2 116.9(4) . . ?
C10 C1 Co3 111.0(3) . . ?
C10 C1 B4 124.7(4) . . ?
C10 C1 B5 118.3(4) . . ?
C10 C1 B6 112.2(4) . . ?
C1 C2 Co3 66.1(2) . . ?
C1 C2 B6 62.9(3) . . ?
C1 C2 B7 110.6(4) . . ?
C1 C2 B11 110.5(4) . . ?
B6 C2 Co3 123.5(3) . . ?
B6 C2 B7 113.2(4) . . ?
B7 C2 Co3 65.1(2) . . ?
B11 C2 Co3 120.6(3) . . ?
B11 C2 B6 61.2(3) . . ?
B11 C2 B7 61.9(3) . . ?
C17 C2 C1 116.9(4) . . ?
C17 C2 Co3 111.1(3) . . ?
C17 C2 B6 112.2(4) . . ?
C17 C2 B7 125.0(4) . . ?
C17 C2 B11 120.1(4) . . ?
C1 Co3 C2 46.67(18) . . ?
C1 Co3 B4 50.0(2) . . ?
C1 Co3 B7 85.3(2) . . ?
C1 Co3 B8 86.2(2) . . ?
C1 Co3 C31 104.0(2) . . ?
C1 Co3 C32 119.4(2) . . ?
C1 Co3 C33 156.3(2) . . ?
C1 Co3 C35 120.1(2) . . ?
C2 Co3 B4 84.8(2) . . ?
C2 Co3 B7 50.5(2) . . ?
C2 Co3 B8 86.3(2) . . ?
C2 Co3 C31 121.7(2) . . ?
C2 Co3 C32 104.2(2) . . ?
C2 Co3 C33 118.1(2) . . ?
B4 Co3 B8 51.3(2) . . ?
B4 Co3 C31 114.6(3) . . ?
B4 Co3 C32 152.9(2) . . ?
B7 Co3 B4 88.5(3) . . ?
B7 Co3 B8 51.4(2) . . ?
B7 Co3 C31 156.0(3) . . ?
B7 Co3 C32 117.1(3) . . ?
C31 Co3 B8 149.5(3) . . ?
C31 Co3 C32 39.1(3) . . ?
C32 Co3 B8 152.7(3) . . ?
C33 Co3 B4 153.5(3) . . ?
C33 Co3 B7 96.1(2) . . ?
C33 Co3 B8 113.1(2) . . ?
C33 Co3 C31 66.6(2) . . ?
C33 Co3 C32 39.7(3) . . ?
C34 Co3 C1 158.0(2) . . ?
C34 Co3 C2 155.2(2) . . ?
C34 Co3 B4 113.8(3) . . ?
C34 Co3 B7 111.1(2) . . ?
C34 Co3 B8 92.8(2) . . ?
C34 Co3 C31 67.0(2) . . ?
C34 Co3 C32 67.1(2) . . ?
C34 Co3 C33 40.5(2) . . ?
C34 Co3 C35 40.3(2) . . ?
C35 Co3 C2 159.4(2) . . ?
C35 Co3 B4 96.1(2) . . ?
C35 Co3 B7 149.9(2) . . ?
C35 Co3 B8 110.3(3) . . ?
C35 Co3 C31 39.8(2) . . ?
C35 Co3 C32 66.7(2) . . ?
C35 Co3 C33 67.5(2) . . ?
C1 B4 Co3 64.1(3) . . ?
C1 B4 H4 119(3) . . ?
C1 B4 B5 58.0(3) . . ?
C1 B4 B8 105.9(4) . . ?
C1 B4 B9 104.9(4) . . ?
Co3 B4 H4 113(3) . . ?
B5 B4 Co3 116.9(4) . . ?
B5 B4 H4 115(3) . . ?
B5 B4 B8 108.4(5) . . ?
B8 B4 Co3 65.1(3) . . ?
B8 B4 H4 129(3) . . ?
B9 B4 Co3 118.0(4) . . ?
B9 B4 H4 123(3) . . ?
B9 B4 B5 60.0(4) . . ?
B9 B4 B8 60.4(4) . . ?
C1 B5 B4 59.6(3) . . ?
C1 B5 H5 116(3) . . ?
C1 B5 B6 60.8(3) . . ?
C1 B5 B9 105.5(4) . . ?
C1 B5 B10 106.5(4) . . ?
B4 B5 H5 123(2) . . ?
B4 B5 B10 108.2(4) . . ?
B6 B5 B4 110.4(4) . . ?
B6 B5 H5 113(2) . . ?
B6 B5 B9 109.0(5) . . ?
B6 B5 B10 60.3(3) . . ?
B9 B5 B4 59.3(3) . . ?
B9 B5 H5 132(3) . . ?
B9 B5 B10 60.1(4) . . ?
B10 B5 H5 125(2) . . ?
C1 B6 B5 58.1(3) . . ?
C1 B6 H6 115(3) . . ?
C1 B6 B10 104.8(4) . . ?
C1 B6 B11 102.7(4) . . ?
C2 B6 C1 55.4(3) . . ?
C2 B6 B5 103.3(4) . . ?
C2 B6 H6 116(3) . . ?
C2 B6 B10 105.5(4) . . ?
C2 B6 B11 58.7(3) . . ?
B5 B6 H6 123(3) . . ?
B5 B6 B10 60.6(4) . . ?
B10 B6 H6 133(3) . . ?
B11 B6 B5 107.2(4) . . ?
B11 B6 H6 128(3) . . ?
B11 B6 B10 60.3(4) . . ?
C2 B7 Co3 64.4(2) . . ?
C2 B7 H7 116(3) . . ?
C2 B7 B8 105.5(4) . . ?
C2 B7 B11 57.7(3) . . ?
C2 B7 B12 103.9(4) . . ?
Co3 B7 H7 109(2) . . ?
B8 B7 Co3 65.1(3) . . ?
B8 B7 H7 130(2) . . ?
B11 B7 Co3 116.4(3) . . ?
B11 B7 H7 118(2) . . ?
B11 B7 B8 106.9(4) . . ?
B12 B7 Co3 116.7(4) . . ?
B12 B7 H7 129(3) . . ?
B12 B7 B8 59.3(4) . . ?
B12 B7 B11 59.3(3) . . ?
Co3 B8 H8 114(3) . . ?
B4 B8 Co3 63.6(3) . . ?
B4 B8 B7 106.1(4) . . ?
B4 B8 H8 126(2) . . ?
B7 B8 Co3 63.5(3) . . ?
B7 B8 H8 120(3) . . ?
B9 B8 Co3 115.0(3) . . ?
B9 B8 B4 58.5(3) . . ?
B9 B8 B7 107.2(4) . . ?
B9 B8 H8 123(3) . . ?
B12 B8 Co3 115.7(4) . . ?
B12 B8 B4 106.5(4) . . ?
B12 B8 B7 59.6(4) . . ?
B12 B8 H8 119(3) . . ?
B12 B8 B9 60.4(4) . . ?
B4 B9 B5 60.7(3) . . ?
B4 B9 B8 61.1(3) . . ?
B4 B9 H9 120(3) . . ?
B4 B9 B10 109.6(4) . . ?
B4 B9 B12 107.6(4) . . ?
B5 B9 B8 109.5(4) . . ?
B5 B9 H9 127(3) . . ?
B5 B9 B10 60.4(4) . . ?
B5 B9 B12 107.3(4) . . ?
B8 B9 H9 115(3) . . ?
B10 B9 B8 109.1(4) . . ?
B10 B9 H9 125(3) . . ?
B10 B9 B12 59.9(4) . . ?
B12 B9 B8 59.3(4) . . ?
B12 B9 H9 119(3) . . ?
B5 B10 H10 122(3) . . ?
B6 B10 B5 59.2(3) . . ?
B6 B10 H10 120(3) . . ?
B6 B10 B12 107.7(4) . . ?
B9 B10 B5 59.6(3) . . ?
B9 B10 B6 107.7(4) . . ?
B9 B10 H10 123(3) . . ?
B9 B10 B12 60.4(4) . . ?
B11 B10 B5 105.3(4) . . ?
B11 B10 B6 59.2(3) . . ?
B11 B10 B9 107.0(4) . . ?
B11 B10 H10 123(3) . . ?
B11 B10 B12 59.5(4) . . ?
B12 B10 B5 107.1(4) . . ?
B12 B10 H10 123(3) . . ?
C11 C10 C1 118.4(4) . . ?
C11 C10 C15 120.4(4) . . ?
C15 C10 C1 121.2(4) . . ?
C2 B11 B6 60.1(3) . . ?
C2 B11 B7 60.4(3) . . ?
C2 B11 B10 106.7(4) . . ?
C2 B11 H11 118(3) . . ?
C2 B11 B12 106.5(4) . . ?
B6 B11 B7 111.0(4) . . ?
B6 B11 B10 60.5(3) . . ?
B6 B11 H11 115(3) . . ?
B6 B11 B12 109.6(4) . . ?
B7 B11 H11 121(3) . . ?
B10 B11 B7 109.7(5) . . ?
B10 B11 H11 124(3) . . ?
B12 B11 B7 60.1(4) . . ?
B12 B11 B10 60.5(4) . . ?
B12 B11 H11 128(3) . . ?
C10 C11 H11B 123(4) . . ?
C12 C11 C10 121.5(5) . . ?
C12 C11 H11B 116(4) . . ?
B7 B12 B9 108.4(4) . . ?
B7 B12 B10 109.5(4) . . ?
B7 B12 H12 119(3) . . ?
B8 B12 B7 61.1(3) . . ?
B8 B12 B9 60.4(4) . . ?
B8 B12 B10 109.7(4) . . ?
B8 B12 H12 122(3) . . ?
B9 B12 H12 125(3) . . ?
B10 B12 B9 59.6(4) . . ?
B10 B12 H12 120(3) . . ?
B11 B12 B7 60.5(3) . . ?
B11 B12 B8 109.3(4) . . ?
B11 B12 B9 106.8(4) . . ?
B11 B12 B10 60.0(4) . . ?
B11 B12 H12 119(3) . . ?
C11 C12 H12B 120.6 . . ?
C11 C12 C13 118.8(5) . . ?
C13 C12 H12B 120.6 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.2(5) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 119.0 . . ?
C13 C14 C15 122.1(5) . . ?
C15 C14 H14 119.0 . . ?
C10 C15 C16 121.2(4) . . ?
C14 C15 C10 117.0(4) . . ?
C14 C15 C16 121.7(4) . . ?
C17 C16 C15 122.9(4) . . ?
C17 C16 C21 117.1(4) . . ?
C21 C16 C15 120.0(4) . . ?
C16 C17 C2 120.8(4) . . ?
C16 C17 C18 120.9(4) . . ?
C18 C17 C2 118.2(4) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.6(5) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 120.4 . . ?
C18 C19 C20 119.2(5) . . ?
C20 C19 H19 120.4 . . ?
C19 C20 H20 119.9 . . ?
C21 C20 C19 120.2(5) . . ?
C21 C20 H20 119.9 . . ?
C16 C21 H21 119.0 . . ?
C20 C21 C16 122.0(5) . . ?
C20 C21 H21 119.0 . . ?
Co3 C31 H31 125.6 . . ?
C32 C31 Co3 70.7(3) . . ?
C32 C31 H31 125.6 . . ?
C32 C31 C35 108.8(5) . . ?
C35 C31 Co3 69.4(3) . . ?
C35 C31 H31 125.6 . . ?
Co3 C32 H32 125.8 . . ?
C31 C32 Co3 70.2(3) . . ?
C31 C32 H32 125.8 . . ?
C31 C32 C33 108.5(5) . . ?
C33 C32 Co3 69.5(3) . . ?
C33 C32 H32 125.8 . . ?
Co3 C33 H33 126.3 . . ?
C32 C33 Co3 70.8(3) . . ?
C32 C33 H33 126.3 . . ?
C32 C33 C34 107.3(5) . . ?
C34 C33 Co3 68.9(3) . . ?
C34 C33 H33 126.3 . . ?
Co3 C34 H34 126.0 . . ?
C33 C34 Co3 70.6(3) . . ?
C33 C34 H34 126.0 . . ?
C35 C34 Co3 70.4(3) . . ?
C35 C34 C33 107.9(5) . . ?
C35 C34 H34 126.0 . . ?
Co3 C35 H35 126.3 . . ?
C31 C35 Co3 70.8(3) . . ?
C31 C35 C34 107.5(5) . . ?
C31 C35 H35 126.3 . . ?
C34 C35 Co3 69.3(3) . . ?
C34 C35 H35 126.3 . . ?

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
C1' C2' B6' B5' -35.7(4) . . . . ?
C1' C2' B6' B10' -98.7(4) . . . . ?
C1' C2' B6' B11' -139.7(4) . . . . ?
C1' C2' B7' Co3' -50.5(3) . . . . ?
C1' C2' B7' B8' 0.9(5) . . . . ?
C1' C2' B7' B11' 102.3(4) . . . . ?
C1' C2' B7' B12' 62.8(5) . . . . ?
C1' C2' B11' B6' 37.6(4) . . . . ?
C1' C2' B11' B7' -104.4(4) . . . . ?
C1' C2' B11' B10' -2.6(5) . . . . ?
C1' C2' B11' B12' -65.1(5) . . . . ?
C1' C2' C17' C16' -2.0(7) . . . . ?
C1' C2' C17' C18' 175.2(4) . . . . ?
C1' B4' B5' B6' 33.8(4) . . . . ?
C1' B4' B5' B9' 134.3(4) . . . . ?
C1' B4' B5' B10' 97.2(4) . . . . ?
C1' B4' B8' Co3' 51.3(3) . . . . ?
C1' B4' B8' B7' 3.3(6) . . . . ?
C1' B4' B8' B9' -97.3(5) . . . . ?
C1' B4' B8' B12' -58.7(5) . . . . ?
C1' B4' B9' B5' -38.9(4) . . . . ?
C1' B4' B9' B8' 99.4(4) . . . . ?
C1' B4' B9' B10' -2.1(5) . . . . ?
C1' B4' B9' B12' 61.0(5) . . . . ?
C1' B5' B6' C2' 33.7(3) . . . . ?
C1' B5' B6' B10' 134.4(4) . . . . ?
C1' B5' B6' B11' 95.9(4) . . . . ?
C1' B5' B9' B4' 39.8(4) . . . . ?
C1' B5' B9' B8' 1.5(6) . . . . ?
C1' B5' B9' B10' -99.2(4) . . . . ?
C1' B5' B9' B12' -61.6(5) . . . . ?
C1' B5' B10' B6' -40.0(4) . . . . ?
C1' B5' B10' B9' 99.6(4) . . . . ?
C1' B5' B10' B11' -2.2(6) . . . . ?
C1' B5' B10' B12' 61.3(5) . . . . ?
C1' B6' B10' B5' 39.7(4) . . . . ?
C1' B6' B10' B9' 3.6(5) . . . . ?
C1' B6' B10' B11' -97.7(4) . . . . ?
C1' B6' B10' B12' -60.7(5) . . . . ?
C1' B6' B11' C2' -33.1(3) . . . . ?
C1' B6' B11' B7' 0.6(5) . . . . ?
C1' B6' B11' B10' 100.6(4) . . . . ?
C1' B6' B11' B12' 63.6(5) . . . . ?
C1' C10' C11' C12' -177.5(5) . . . . ?
C1' C10' C15' C14' 175.9(4) . . . . ?
C1' C10' C15' C16' -4.9(7) . . . . ?
C2' C1' B4' Co3' 48.9(3) . . . . ?
C2' C1' B4' B5' -103.2(4) . . . . ?
C2' C1' B4' B8' -3.0(6) . . . . ?
C2' C1' B4' B9' -64.1(5) . . . . ?
C2' C1' B5' B4' 104.0(4) . . . . ?
C2' C1' B5' B6' -39.0(4) . . . . ?
C2' C1' B5' B9' 63.7(5) . . . . ?
C2' C1' B5' B10' 0.6(5) . . . . ?
C2' C1' B6' B5' 138.8(4) . . . . ?
C2' C1' B6' B10' 98.4(4) . . . . ?
C2' C1' B6' B11' 35.2(4) . . . . ?
C2' C1' C10' C11' -177.0(4) . . . . ?
C2' C1' C10' C15' 3.3(7) . . . . ?
C2' B6' B10' B5' 97.0(4) . . . . ?
C2' B6' B10' B9' 60.9(5) . . . . ?
C2' B6' B10' B11' -40.4(4) . . . . ?
C2' B6' B10' B12' -3.4(6) . . . . ?
C2' B6' B11' B7' 33.7(4) . . . . ?
C2' B6' B11' B10' 133.7(4) . . . . ?
C2' B6' B11' B12' 96.8(4) . . . . ?
C2' B7' B8' Co3' -50.5(3) . . . . ?
C2' B7' B8' B4' -2.6(6) . . . . ?
C2' B7' B8' B9' 59.9(5) . . . . ?
C2' B7' B8' B12' 98.4(4) . . . . ?
C2' B7' B11' B6' -34.5(4) . . . . ?
C2' B7' B11' B10' -97.5(4) . . . . ?
C2' B7' B11' B12' -134.5(4) . . . . ?
C2' B7' B12' B8' -99.7(4) . . . . ?
C2' B7' B12' B9' -61.1(5) . . . . ?
C2' B7' B12' B10' 2.3(6) . . . . ?
C2' B7' B12' B11' 39.4(4) . . . . ?
C2' B11' B12' B7' -38.9(4) . . . . ?
C2' B11' B12' B8' -1.1(6) . . . . ?
C2' B11' B12' B9' 62.7(5) . . . . ?
C2' B11' B12' B10' 99.8(4) . . . . ?
C2' C17' C18' C19' -177.7(5) . . . . ?
Co3' C1' C2' B6' 153.8(3) . . . . ?
Co3' C1' C2' B7' 50.0(3) . . . . ?
Co3' C1' C2' B11' 117.2(4) . . . . ?
Co3' C1' C2' C17' -103.5(4) . . . . ?
Co3' C1' B4' B5' -152.2(4) . . . . ?
Co3' C1' B4' B8' -51.9(3) . . . . ?
Co3' C1' B4' B9' -113.1(4) . . . . ?
Co3' C1' B5' B4' 29.8(4) . . . . ?
Co3' C1' B5' B6' -113.2(4) . . . . ?
Co3' C1' B5' B9' -10.5(6) . . . . ?
Co3' C1' B5' B10' -73.6(5) . . . . ?
Co3' C1' B6' C2' -28.9(3) . . . . ?
Co3' C1' B6' B5' 109.9(4) . . . . ?
Co3' C1' B6' B10' 69.5(5) . . . . ?
Co3' C1' B6' B11' 6.3(5) . . . . ?
Co3' C1' C10' C11' -103.2(5) . . . . ?
Co3' C1' C10' C15' 77.0(5) . . . . ?
Co3' C2' B6' C1' 29.1(3) . . . . ?
Co3' C2' B6' B5' -6.6(5) . . . . ?
Co3' C2' B6' B10' -69.7(5) . . . . ?
Co3' C2' B6' B11' -110.6(4) . . . . ?
Co3' C2' B7' B8' 51.4(3) . . . . ?
Co3' C2' B7' B11' 152.8(3) . . . . ?
Co3' C2' B7' B12' 113.3(4) . . . . ?
Co3' C2' B11' B6' 112.5(4) . . . . ?
Co3' C2' B11' B7' -29.5(4) . . . . ?
Co3' C2' B11' B10' 72.3(5) . . . . ?
Co3' C2' B11' B12' 9.8(5) . . . . ?
Co3' C2' C17' C16' -76.4(5) . . . . ?
Co3' C2' C17' C18' 100.8(4) . . . . ?
Co3' B4' B5' C1' -28.0(3) . . . . ?
Co3' B4' B5' B6' 5.8(6) . . . . ?
Co3' B4' B5' B9' 106.3(4) . . . . ?
Co3' B4' B5' B10' 69.2(5) . . . . ?
Co3' B4' B8' B7' -48.0(3) . . . . ?
Co3' B4' B8' B9' -148.6(4) . . . . ?
Co3' B4' B8' B12' -110.0(4) . . . . ?
Co3' B4' B9' B5' -106.4(5) . . . . ?
Co3' B4' B9' B8' 31.8(4) . . . . ?
Co3' B4' B9' B10' -69.7(5) . . . . ?
Co3' B4' B9' B12' -6.5(6) . . . . ?
Co3' B7' B8' B4' 47.9(3) . . . . ?
Co3' B7' B8' B9' 110.5(4) . . . . ?
Co3' B7' B8' B12' 149.0(4) . . . . ?
Co3' B7' B11' C2' 27.5(3) . . . . ?
Co3' B7' B11' B6' -7.0(6) . . . . ?
Co3' B7' B11' B10' -69.9(5) . . . . ?
Co3' B7' B11' B12' -107.0(4) . . . . ?
Co3' B7' B12' B8' -31.8(4) . . . . ?
Co3' B7' B12' B9' 6.9(6) . . . . ?
Co3' B7' B12' B10' 70.3(5) . . . . ?
Co3' B7' B12' B11' 107.4(4) . . . . ?
Co3' B8' B9' B4' -31.0(4) . . . . ?
Co3' B8' B9' B5' 7.1(6) . . . . ?
Co3' B8' B9' B10' 70.8(5) . . . . ?
Co3' B8' B9' B12' 105.9(4) . . . . ?
Co3' B8' B12' B7' 30.6(4) . . . . ?
Co3' B8' B12' B9' -106.2(4) . . . . ?
Co3' B8' B12' B10' -70.9(5) . . . . ?
Co3' B8' B12' B11' -7.1(6) . . . . ?
Co3' C31' C32' C33' -59.0(5) . . . . ?
Co3' C31' C35' C34' 59.8(4) . . . . ?
Co3' C32' C33' C34' -60.6(4) . . . . ?
Co3' C33' C34' C35' -61.0(4) . . . . ?
Co3' C34' C35' C31' -60.8(4) . . . . ?
B4' C1' C2' Co3' -48.6(3) . . . . ?
B4' C1' C2' B6' 105.2(4) . . . . ?
B4' C1' C2' B7' 1.4(6) . . . . ?
B4' C1' C2' B11' 68.6(5) . . . . ?
B4' C1' C2' C17' -152.1(4) . . . . ?
B4' C1' B5' B6' -143.0(4) . . . . ?
B4' C1' B5' B9' -40.3(4) . . . . ?
B4' C1' B5' B10' -103.4(5) . . . . ?
B4' C1' B6' C2' -103.6(4) . . . . ?
B4' C1' B6' B5' 35.2(4) . . . . ?
B4' C1' B6' B10' -5.2(5) . . . . ?
B4' C1' B6' B11' -68.3(5) . . . . ?
B4' C1' C10' C11' -28.5(7) . . . . ?
B4' C1' C10' C15' 151.7(5) . . . . ?
B4' B5' B6' C1' -33.5(4) . . . . ?
B4' B5' B6' C2' 0.1(5) . . . . ?
B4' B5' B6' B10' 100.9(5) . . . . ?
B4' B5' B6' B11' 62.4(5) . . . . ?
B4' B5' B9' B8' -38.3(4) . . . . ?
B4' B5' B9' B10' -139.1(4) . . . . ?
B4' B5' B9' B12' -101.4(5) . . . . ?
B4' B5' B10' B6' -102.5(5) . . . . ?
B4' B5' B10' B9' 37.1(4) . . . . ?
B4' B5' B10' B11' -64.7(5) . . . . ?
B4' B5' B10' B12' -1.2(6) . . . . ?
B4' B8' B9' B5' 38.1(4) . . . . ?
B4' B8' B9' B10' 101.8(5) . . . . ?
B4' B8' B9' B12' 136.9(5) . . . . ?
B4' B8' B12' B7' 98.6(4) . . . . ?
B4' B8' B12' B9' -38.2(4) . . . . ?
B4' B8' B12' B10' -2.9(6) . . . . ?
B4' B8' B12' B11' 60.9(6) . . . . ?
B4' B9' B10' B5' -37.1(4) . . . . ?
B4' B9' B10' B6' -0.9(6) . . . . ?
B4' B9' B10' B11' 62.7(5) . . . . ?
B4' B9' B10' B12' 100.2(5) . . . . ?
B4' B9' B12' B7' -0.2(6) . . . . ?
B4' B9' B12' B8' 39.1(4) . . . . ?
B4' B9' B12' B10' -101.8(5) . . . . ?
B4' B9' B12' B11' -64.8(6) . . . . ?
B5' C1' C2' Co3' -115.9(4) . . . . ?
B5' C1' C2' B6' 37.9(4) . . . . ?
B5' C1' C2' B7' -65.9(5) . . . . ?
B5' C1' C2' B11' 1.2(5) . . . . ?
B5' C1' C2' C17' 140.6(4) . . . . ?
B5' C1' B4' Co3' 152.2(4) . . . . ?
B5' C1' B4' B8' 100.2(5) . . . . ?
B5' C1' B4' B9' 39.1(4) . . . . ?
B5' C1' B6' C2' -138.8(4) . . . . ?
B5' C1' B6' B10' -40.4(4) . . . . ?
B5' C1' B6' B11' -103.6(4) . . . . ?
B5' C1' C10' C11' 45.4(6) . . . . ?
B5' C1' C10' C15' -134.3(5) . . . . ?
B5' B4' B8' Co3' 112.2(4) . . . . ?
B5' B4' B8' B7' 64.2(5) . . . . ?
B5' B4' B8' B9' -36.4(4) . . . . ?
B5' B4' B8' B12' 2.1(6) . . . . ?
B5' B4' B9' B8' 138.2(5) . . . . ?
B5' B4' B9' B10' 36.7(4) . . . . ?
B5' B4' B9' B12' 99.9(5) . . . . ?
B5' B6' B10' B9' -36.2(4) . . . . ?
B5' B6' B10' B11' -137.5(5) . . . . ?
B5' B6' B10' B12' -100.4(5) . . . . ?
B5' B6' B11' C2' -95.2(4) . . . . ?
B5' B6' B11' B7' -61.5(5) . . . . ?
B5' B6' B11' B10' 38.5(4) . . . . ?
B5' B6' B11' B12' 1.6(6) . . . . ?
B5' B9' B10' B6' 36.2(4) . . . . ?
B5' B9' B10' B11' 99.9(5) . . . . ?
B5' B9' B10' B12' 137.4(5) . . . . ?
B5' B9' B12' B7' 63.8(6) . . . . ?
B5' B9' B12' B8' 103.1(5) . . . . ?
B5' B9' B12' B10' -37.8(4) . . . . ?
B5' B9' B12' B11' -0.8(6) . . . . ?
B5' B10' B11' C2' 2.9(6) . . . . ?
B5' B10' B11' B6' -37.8(4) . . . . ?
B5' B10' B11' B7' 64.2(5) . . . . ?
B5' B10' B11' B12' 100.9(5) . . . . ?
B5' B10' B12' B7' -62.7(6) . . . . ?
B5' B10' B12' B8' 2.6(6) . . . . ?
B5' B10' B12' B9' 37.9(4) . . . . ?
B5' B10' B12' B11' -100.4(5) . . . . ?
B6' C1' C2' Co3' -153.8(3) . . . . ?
B6' C1' C2' B7' -103.8(4) . . . . ?
B6' C1' C2' B11' -36.6(4) . . . . ?
B6' C1' C2' C17' 102.8(5) . . . . ?
B6' C1' B4' Co3' 117.6(4) . . . . ?
B6' C1' B4' B5' -34.6(4) . . . . ?
B6' C1' B4' B8' 65.7(5) . . . . ?
B6' C1' B4' B9' 4.5(5) . . . . ?
B6' C1' B5' B4' 143.0(4) . . . . ?
B6' C1' B5' B9' 102.6(5) . . . . ?
B6' C1' B5' B10' 39.6(4) . . . . ?
B6' C1' C10' C11' 112.8(5) . . . . ?
B6' C1' C10' C15' -66.9(6) . . . . ?
B6' C2' B7' Co3' -117.9(4) . . . . ?
B6' C2' B7' B8' -66.5(5) . . . . ?
B6' C2' B7' B11' 34.9(4) . . . . ?
B6' C2' B7' B12' -4.6(6) . . . . ?
B6' C2' B11' B7' -142.0(4) . . . . ?
B6' C2' B11' B10' -40.2(4) . . . . ?
B6' C2' B11' B12' -102.7(5) . . . . ?
B6' C2' C17' C16' 67.1(6) . . . . ?
B6' C2' C17' C18' -115.7(5) . . . . ?
B6' B5' B9' B4' 103.1(5) . . . . ?
B6' B5' B9' B8' 64.8(6) . . . . ?
B6' B5' B9' B10' -36.0(4) . . . . ?
B6' B5' B9' B12' 1.7(6) . . . . ?
B6' B5' B10' B9' 139.6(4) . . . . ?
B6' B5' B10' B11' 37.8(4) . . . . ?
B6' B5' B10' B12' 101.3(5) . . . . ?
B6' B10' B11' C2' 40.7(4) . . . . ?
B6' B10' B11' B7' 102.0(4) . . . . ?
B6' B10' B11' B12' 138.8(5) . . . . ?
B6' B10' B12' B7' 0.7(6) . . . . ?
B6' B10' B12' B8' 66.0(6) . . . . ?
B6' B10' B12' B9' 101.4(5) . . . . ?
B6' B10' B12' B11' -37.0(4) . . . . ?
B6' B11' B12' B7' -102.1(4) . . . . ?
B6' B11' B12' B8' -64.3(6) . . . . ?
B6' B11' B12' B9' -0.5(6) . . . . ?
B6' B11' B12' B10' 36.6(4) . . . . ?
B7' C2' B6' C1' 103.8(4) . . . . ?
B7' C2' B6' B5' 68.1(5) . . . . ?
B7' C2' B6' B10' 5.1(5) . . . . ?
B7' C2' B6' B11' -35.9(4) . . . . ?
B7' C2' B11' B6' 142.0(4) . . . . ?
B7' C2' B11' B10' 101.9(5) . . . . ?
B7' C2' B11' B12' 39.3(4) . . . . ?
B7' C2' C17' C16' -151.5(5) . . . . ?
B7' C2' C17' C18' 25.7(7) . . . . ?
B7' B8' B9' B4' -98.9(4) . . . . ?
B7' B8' B9' B5' -60.8(6) . . . . ?
B7' B8' B9' B10' 2.8(5) . . . . ?
B7' B8' B9' B12' 37.9(4) . . . . ?
B7' B8' B12' B9' -136.8(4) . . . . ?
B7' B8' B12' B10' -101.5(5) . . . . ?
B7' B8' B12' B11' -37.7(4) . . . . ?
B7' B11' B12' B8' 37.8(4) . . . . ?
B7' B11' B12' B9' 101.6(5) . . . . ?
B7' B11' B12' B10' 138.7(4) . . . . ?
B8' B4' B5' C1' -97.7(4) . . . . ?
B8' B4' B5' B6' -63.9(5) . . . . ?
B8' B4' B5' B9' 36.5(4) . . . . ?
B8' B4' B5' B10' -0.6(6) . . . . ?
B8' B4' B9' B5' -138.2(5) . . . . ?
B8' B4' B9' B10' -101.5(5) . . . . ?
B8' B4' B9' B12' -38.3(4) . . . . ?
B8' B7' B11' C2' 98.3(4) . . . . ?
B8' B7' B11' B6' 63.7(5) . . . . ?
B8' B7' B11' B10' 0.8(5) . . . . ?
B8' B7' B11' B12' -36.3(4) . . . . ?
B8' B7' B12' B9' 38.6(4) . . . . ?
B8' B7' B12' B10' 102.1(5) . . . . ?
B8' B7' B12' B11' 139.1(4) . . . . ?
B8' B9' B10' B5' -102.3(5) . . . . ?
B8' B9' B10' B6' -66.0(5) . . . . ?
B8' B9' B10' B11' -2.4(6) . . . . ?
B8' B9' B10' B12' 35.1(4) . . . . ?
B8' B9' B12' B7' -39.3(4) . . . . ?
B8' B9' B12' B10' -140.9(4) . . . . ?
B8' B9' B12' B11' -103.8(5) . . . . ?
B9' B4' B5' C1' -134.3(4) . . . . ?
B9' B4' B5' B6' -100.5(5) . . . . ?
B9' B4' B5' B10' -37.1(4) . . . . ?
B9' B4' B8' Co3' 148.6(4) . . . . ?
B9' B4' B8' B7' 100.6(5) . . . . ?
B9' B4' B8' B12' 38.6(4) . . . . ?
B9' B5' B6' C1' -98.0(4) . . . . ?
B9' B5' B6' C2' -64.3(5) . . . . ?
B9' B5' B6' B10' 36.5(4) . . . . ?
B9' B5' B6' B11' -2.1(6) . . . . ?
B9' B5' B10' B6' -139.6(4) . . . . ?
B9' B5' B10' B11' -101.8(5) . . . . ?
B9' B5' B10' B12' -38.3(4) . . . . ?
B9' B8' B12' B7' 136.8(4) . . . . ?
B9' B8' B12' B10' 35.3(4) . . . . ?
B9' B8' B12' B11' 99.1(5) . . . . ?
B9' B10' B11' C2' -60.3(5) . . . . ?
B9' B10' B11' B6' -101.1(5) . . . . ?
B9' B10' B11' B7' 1.0(6) . . . . ?
B9' B10' B11' B12' 37.7(4) . . . . ?
B9' B10' B12' B7' -100.7(5) . . . . ?
B9' B10' B12' B8' -35.4(4) . . . . ?
B9' B10' B12' B11' -138.3(4) . . . . ?
B10' B5' B6' C1' -134.4(4) . . . . ?
B10' B5' B6' C2' -100.8(4) . . . . ?
B10' B5' B6' B11' -38.5(4) . . . . ?
B10' B5' B9' B4' 139.1(4) . . . . ?
B10' B5' B9' B8' 100.8(5) . . . . ?
B10' B5' B9' B12' 37.7(4) . . . . ?
B10' B6' B11' C2' -133.7(4) . . . . ?
B10' B6' B11' B7' -100.0(5) . . . . ?
B10' B6' B11' B12' -37.0(4) . . . . ?
B10' B9' B12' B7' 101.6(5) . . . . ?
B10' B9' B12' B8' 140.9(4) . . . . ?
B10' B9' B12' B11' 37.0(4) . . . . ?
B10' B11' B12' B7' -138.7(4) . . . . ?
B10' B11' B12' B8' -100.9(5) . . . . ?
B10' B11' B12' B9' -37.1(4) . . . . ?
C10' C1' C2' Co3' 103.6(4) . . . . ?
C10' C1' C2' B6' -102.6(4) . . . . ?
C10' C1' C2' B7' 153.6(4) . . . . ?
C10' C1' C2' B11' -139.2(4) . . . . ?
C10' C1' C2' C17' 0.2(6) . . . . ?
C10' C1' B4' Co3' -101.1(4) . . . . ?
C10' C1' B4' B5' 106.7(5) . . . . ?
C10' C1' B4' B8' -153.0(5) . . . . ?
C10' C1' B4' B9' 145.8(5) . . . . ?
C10' C1' B5' B4' -115.9(5) . . . . ?
C10' C1' B5' B6' 101.2(5) . . . . ?
C10' C1' B5' B9' -156.2(4) . . . . ?
C10' C1' B5' B10' 140.7(4) . . . . ?
C10' C1' B6' C2' 110.5(4) . . . . ?
C10' C1' B6' B5' -110.7(5) . . . . ?
C10' C1' B6' B10' -151.1(4) . . . . ?
C10' C1' B6' B11' 145.7(4) . . . . ?
C10' C11' C12' C13' 0.5(8) . . . . ?
C10' C15' C16' C17' 3.0(7) . . . . ?
C10' C15' C16' C21' -173.9(4) . . . . ?
B11' C2' B6' C1' 139.7(4) . . . . ?
B11' C2' B6' B5' 104.0(4) . . . . ?
B11' C2' B6' B10' 40.9(4) . . . . ?
B11' C2' B7' Co3' -152.8(3) . . . . ?
B11' C2' B7' B8' -101.4(5) . . . . ?
B11' C2' B7' B12' -39.5(4) . . . . ?
B11' C2' C17' C16' 133.9(5) . . . . ?
B11' C2' C17' C18' -48.9(6) . . . . ?
B11' B6' B10' B5' 137.5(5) . . . . ?
B11' B6' B10' B9' 101.3(5) . . . . ?
B11' B6' B10' B12' 37.1(4) . . . . ?
B11' B7' B8' Co3' -112.7(4) . . . . ?
B11' B7' B8' B4' -64.7(5) . . . . ?
B11' B7' B8' B9' -2.2(5) . . . . ?
B11' B7' B8' B12' 36.3(4) . . . . ?
B11' B7' B12' B8' -139.1(4) . . . . ?
B11' B7' B12' B9' -100.5(5) . . . . ?
B11' B7' B12' B10' -37.0(4) . . . . ?
B11' B10' B12' B7' 37.6(4) . . . . ?
B11' B10' B12' B8' 103.0(5) . . . . ?
B11' B10' B12' B9' 138.3(4) . . . . ?
C11' C10' C15' C14' -3.8(7) . . . . ?
C11' C10' C15' C16' 175.4(4) . . . . ?
C11' C12' C13' C14' -1.4(8) . . . . ?
B12' B7' B8' Co3' -149.0(4) . . . . ?
B12' B7' B8' B4' -101.0(5) . . . . ?
B12' B7' B8' B9' -38.5(4) . . . . ?
B12' B7' B11' C2' 134.5(4) . . . . ?
B12' B7' B11' B6' 100.0(5) . . . . ?
B12' B7' B11' B10' 37.1(4) . . . . ?
B12' B8' B9' B4' -136.9(5) . . . . ?
B12' B8' B9' B5' -98.8(5) . . . . ?
B12' B8' B9' B10' -35.1(4) . . . . ?
B12' B9' B10' B5' -137.4(5) . . . . ?
B12' B9' B10' B6' -101.1(5) . . . . ?
B12' B9' B10' B11' -37.5(4) . . . . ?
B12' B10' B11' C2' -98.0(5) . . . . ?
B12' B10' B11' B6' -138.8(5) . . . . ?
B12' B10' B11' B7' -36.7(4) . . . . ?
C12' C13' C14' C15' -0.4(8) . . . . ?
C13' C14' C15' C10' 2.9(7) . . . . ?
C13' C14' C15' C16' -176.2(5) . . . . ?
C14' C15' C16' C17' -177.9(4) . . . . ?
C14' C15' C16' C21' 5.2(7) . . . . ?
C15' C10' C11' C12' 2.2(8) . . . . ?
C15' C16' C17' C2' 0.6(7) . . . . ?
C15' C16' C17' C18' -176.5(4) . . . . ?
C15' C16' C21' C20' 177.1(5) . . . . ?
C16' C17' C18' C19' -0.5(7) . . . . ?
C17' C2' B6' C1' -109.6(4) . . . . ?
C17' C2' B6' B5' -145.2(4) . . . . ?
C17' C2' B6' B10' 151.7(4) . . . . ?
C17' C2' B6' B11' 110.8(4) . . . . ?
C17' C2' B7' Co3' 100.4(5) . . . . ?
C17' C2' B7' B8' 151.7(5) . . . . ?
C17' C2' B7' B11' -106.8(5) . . . . ?
C17' C2' B7' B12' -146.3(5) . . . . ?
C17' C2' B11' B6' -101.1(5) . . . . ?
C17' C2' B11' B7' 116.9(5) . . . . ?
C17' C2' B11' B10' -141.2(4) . . . . ?
C17' C2' B11' B12' 156.2(4) . . . . ?
C17' C16' C21' C20' 0.0(7) . . . . ?
C17' C18' C19' C20' 0.0(8) . . . . ?
C18' C19' C20' C21' 0.5(8) . . . . ?
C19' C20' C21' C16' -0.5(8) . . . . ?
C21' C16' C17' C2' 177.6(4) . . . . ?
C21' C16' C17' C18' 0.5(7) . . . . ?
C31' C32' C33' Co3' 60.3(5) . . . . ?
C31' C32' C33' C34' -0.4(7) . . . . ?
C32' C31' C35' Co3' -59.6(4) . . . . ?
C32' C31' C35' C34' 0.2(7) . . . . ?
C32' C33' C34' Co3' 61.4(5) . . . . ?
C32' C33' C34' C35' 0.5(7) . . . . ?
C33' C34' C35' Co3' 60.4(4) . . . . ?
C33' C34' C35' C31' -0.4(7) . . . . ?
C35' C31' C32' Co3' 59.2(4) . . . . ?
C35' C31' C32' C33' 0.1(7) . . . . ?
C1 C2 B6 B5 -34.7(3) . . . . ?
C1 C2 B6 B10 -97.4(4) . . . . ?
C1 C2 B6 B11 -137.0(4) . . . . ?
C1 C2 B7 Co3 -49.3(3) . . . . ?
C1 C2 B7 B8 2.5(5) . . . . ?
C1 C2 B7 B11 102.9(4) . . . . ?
C1 C2 B7 B12 63.9(5) . . . . ?
C1 C2 B11 B6 40.4(4) . . . . ?
C1 C2 B11 B7 -103.1(4) . . . . ?
C1 C2 B11 B10 0.4(5) . . . . ?
C1 C2 B11 B12 -63.1(5) . . . . ?
C1 C2 C17 C16 -3.4(6) . . . . ?
C1 C2 C17 C18 176.0(4) . . . . ?
C1 B4 B5 B6 34.7(4) . . . . ?
C1 B4 B5 B9 135.1(5) . . . . ?
C1 B4 B5 B10 98.9(4) . . . . ?
C1 B4 B8 Co3 50.8(3) . . . . ?
C1 B4 B8 B7 2.2(6) . . . . ?
C1 B4 B8 B9 -98.4(5) . . . . ?
C1 B4 B8 B12 -60.2(5) . . . . ?
C1 B4 B9 B5 -38.3(4) . . . . ?
C1 B4 B9 B8 100.0(5) . . . . ?
C1 B4 B9 B10 -1.5(6) . . . . ?
C1 B4 B9 B12 62.1(5) . . . . ?
C1 B5 B6 C2 33.5(3) . . . . ?
C1 B5 B6 B10 134.0(4) . . . . ?
C1 B5 B6 B11 94.5(4) . . . . ?
C1 B5 B9 B4 39.2(4) . . . . ?
C1 B5 B9 B8 1.0(6) . . . . ?
C1 B5 B9 B10 -100.4(4) . . . . ?
C1 B5 B9 B12 -61.7(5) . . . . ?
C1 B5 B10 B6 -40.9(4) . . . . ?
C1 B5 B10 B9 98.7(4) . . . . ?
C1 B5 B10 B11 -2.3(5) . . . . ?
C1 B5 B10 B12 59.9(5) . . . . ?
C1 B6 B10 B5 39.2(4) . . . . ?
C1 B6 B10 B9 3.2(5) . . . . ?
C1 B6 B10 B11 -96.4(4) . . . . ?
C1 B6 B10 B12 -60.6(5) . . . . ?
C1 B6 B11 C2 -35.1(3) . . . . ?
C1 B6 B11 B7 -1.4(5) . . . . ?
C1 B6 B11 B10 99.9(4) . . . . ?
C1 B6 B11 B12 63.1(5) . . . . ?
C1 C10 C11 C12 179.1(5) . . . . ?
C1 C10 C15 C14 179.6(4) . . . . ?
C1 C10 C15 C16 -3.3(7) . . . . ?
C2 C1 B4 Co3 50.6(3) . . . . ?
C2 C1 B4 B5 -102.9(4) . . . . ?
C2 C1 B4 B8 -0.7(5) . . . . ?
C2 C1 B4 B9 -63.7(5) . . . . ?
C2 C1 B5 B4 104.4(4) . . . . ?
C2 C1 B5 B6 -37.9(4) . . . . ?
C2 C1 B5 B9 65.4(5) . . . . ?
C2 C1 B5 B10 2.7(5) . . . . ?
C2 C1 B6 B5 139.3(4) . . . . ?
C2 C1 B6 B10 98.9(4) . . . . ?
C2 C1 B6 B11 36.7(4) . . . . ?
C2 C1 C10 C11 -177.2(4) . . . . ?
C2 C1 C10 C15 2.8(6) . . . . ?
C2 B6 B10 B5 96.7(4) . . . . ?
C2 B6 B10 B9 60.8(5) . . . . ?
C2 B6 B10 B11 -38.8(4) . . . . ?
C2 B6 B10 B12 -3.0(5) . . . . ?
C2 B6 B11 B7 33.7(4) . . . . ?
C2 B6 B11 B10 135.0(4) . . . . ?
C2 B6 B11 B12 98.3(4) . . . . ?
C2 B7 B8 Co3 -51.4(3) . . . . ?
C2 B7 B8 B4 -2.8(5) . . . . ?
C2 B7 B8 B9 58.5(5) . . . . ?
C2 B7 B8 B12 97.1(4) . . . . ?
C2 B7 B11 B6 -33.6(4) . . . . ?
C2 B7 B11 B10 -98.6(4) . . . . ?
C2 B7 B11 B12 -134.7(4) . . . . ?
C2 B7 B12 B8 -100.0(4) . . . . ?
C2 B7 B12 B9 -61.1(5) . . . . ?
C2 B7 B12 B10 2.3(5) . . . . ?
C2 B7 B12 B11 38.2(4) . . . . ?
C2 B11 B12 B7 -40.1(4) . . . . ?
C2 B11 B12 B8 -1.9(6) . . . . ?
C2 B11 B12 B9 61.8(5) . . . . ?
C2 B11 B12 B10 100.2(4) . . . . ?
C2 C17 C18 C19 179.4(4) . . . . ?
Co3 C1 C2 B6 155.1(3) . . . . ?
Co3 C1 C2 B7 48.8(3) . . . . ?
Co3 C1 C2 B11 115.4(4) . . . . ?
Co3 C1 C2 C17 -102.5(4) . . . . ?
Co3 C1 B4 B5 -153.5(4) . . . . ?
Co3 C1 B4 B8 -51.3(3) . . . . ?
Co3 C1 B4 B9 -114.3(4) . . . . ?
Co3 C1 B5 B4 28.8(4) . . . . ?
Co3 C1 B5 B6 -113.5(4) . . . . ?
Co3 C1 B5 B9 -10.2(6) . . . . ?
Co3 C1 B5 B10 -72.9(5) . . . . ?
Co3 C1 B6 C2 -27.8(3) . . . . ?
Co3 C1 B6 B5 111.4(4) . . . . ?
Co3 C1 B6 B10 71.1(5) . . . . ?
Co3 C1 B6 B11 8.9(5) . . . . ?
Co3 C1 C10 C11 -102.8(5) . . . . ?
Co3 C1 C10 C15 77.2(5) . . . . ?
Co3 C2 B6 C1 27.5(3) . . . . ?
Co3 C2 B6 B5 -7.2(5) . . . . ?
Co3 C2 B6 B10 -69.9(5) . . . . ?
Co3 C2 B6 B11 -109.5(4) . . . . ?
Co3 C2 B7 B8 51.8(3) . . . . ?
Co3 C2 B7 B11 152.2(4) . . . . ?
Co3 C2 B7 B12 113.2(4) . . . . ?
Co3 C2 B11 B6 114.0(4) . . . . ?
Co3 C2 B11 B7 -29.4(4) . . . . ?
Co3 C2 B11 B10 74.1(5) . . . . ?
Co3 C2 B11 B12 10.6(5) . . . . ?
Co3 C2 C17 C16 -76.4(5) . . . . ?
Co3 C2 C17 C18 103.0(4) . . . . ?
Co3 B4 B5 C1 -26.8(4) . . . . ?
Co3 B4 B5 B6 7.9(6) . . . . ?
Co3 B4 B5 B9 108.4(5) . . . . ?
Co3 B4 B5 B10 72.1(5) . . . . ?
Co3 B4 B8 B7 -48.5(3) . . . . ?
Co3 B4 B8 B9 -149.1(4) . . . . ?
Co3 B4 B8 B12 -110.9(4) . . . . ?
Co3 B4 B9 B5 -106.5(4) . . . . ?
Co3 B4 B9 B8 31.8(4) . . . . ?
Co3 B4 B9 B10 -69.7(5) . . . . ?
Co3 B4 B9 B12 -6.2(6) . . . . ?
Co3 B7 B8 B4 48.6(3) . . . . ?
Co3 B7 B8 B9 109.9(4) . . . . ?
Co3 B7 B8 B12 148.5(4) . . . . ?
Co3 B7 B11 C2 28.0(3) . . . . ?
Co3 B7 B11 B6 -5.6(6) . . . . ?
Co3 B7 B11 B10 -70.6(5) . . . . ?
Co3 B7 B11 B12 -106.8(4) . . . . ?
Co3 B7 B12 B8 -32.0(4) . . . . ?
Co3 B7 B12 B9 6.9(6) . . . . ?
Co3 B7 B12 B10 70.3(5) . . . . ?
Co3 B7 B12 B11 106.2(4) . . . . ?
Co3 B8 B9 B4 -30.5(4) . . . . ?
Co3 B8 B9 B5 7.5(6) . . . . ?
Co3 B8 B9 B10 71.9(5) . . . . ?
Co3 B8 B9 B12 106.5(4) . . . . ?
Co3 B8 B12 B7 31.2(4) . . . . ?
Co3 B8 B12 B9 -105.4(4) . . . . ?
Co3 B8 B12 B10 -70.7(5) . . . . ?
Co3 B8 B12 B11 -6.6(6) . . . . ?
Co3 C31 C32 C33 -59.2(4) . . . . ?
Co3 C31 C35 C34 59.8(4) . . . . ?
Co3 C32 C33 C34 -59.5(4) . . . . ?
Co3 C33 C34 C35 -60.9(4) . . . . ?
Co3 C34 C35 C31 -60.8(4) . . . . ?
B4 C1 C2 Co3 -49.9(3) . . . . ?
B4 C1 C2 B6 105.2(4) . . . . ?
B4 C1 C2 B7 -1.1(5) . . . . ?
B4 C1 C2 B11 65.5(5) . . . . ?
B4 C1 C2 C17 -152.4(4) . . . . ?
B4 C1 B5 B6 -142.4(4) . . . . ?
B4 C1 B5 B9 -39.0(4) . . . . ?
B4 C1 B5 B10 -101.7(5) . . . . ?
B4 C1 B6 C2 -103.3(4) . . . . ?
B4 C1 B6 B5 36.0(4) . . . . ?
B4 C1 B6 B10 -4.4(5) . . . . ?
B4 C1 B6 B11 -66.6(5) . . . . ?
B4 C1 C10 C11 -28.3(7) . . . . ?
B4 C1 C10 C15 151.8(5) . . . . ?
B4 B5 B6 C1 -34.2(4) . . . . ?
B4 B5 B6 C2 -0.7(5) . . . . ?
B4 B5 B6 B10 99.8(5) . . . . ?
B4 B5 B6 B11 60.3(5) . . . . ?
B4 B5 B9 B8 -38.1(4) . . . . ?
B4 B5 B9 B10 -139.6(5) . . . . ?
B4 B5 B9 B12 -100.9(5) . . . . ?
B4 B5 B10 B6 -103.6(5) . . . . ?
B4 B5 B10 B9 35.9(4) . . . . ?
B4 B5 B10 B11 -65.0(5) . . . . ?
B4 B5 B10 B12 -2.9(6) . . . . ?
B4 B8 B9 B5 38.0(4) . . . . ?
B4 B8 B9 B10 102.3(4) . . . . ?
B4 B8 B9 B12 137.0(4) . . . . ?
B4 B8 B12 B7 99.4(4) . . . . ?
B4 B8 B12 B9 -37.3(4) . . . . ?
B4 B8 B12 B10 -2.6(6) . . . . ?
B4 B8 B12 B11 61.5(5) . . . . ?
B4 B9 B10 B5 -36.9(4) . . . . ?
B4 B9 B10 B6 -1.1(6) . . . . ?
B4 B9 B10 B11 61.2(5) . . . . ?
B4 B9 B10 B12 99.6(5) . . . . ?
B4 B9 B12 B7 -0.5(6) . . . . ?
B4 B9 B12 B8 38.8(4) . . . . ?
B4 B9 B12 B10 -102.8(5) . . . . ?
B4 B9 B12 B11 -64.3(5) . . . . ?
B5 C1 C2 Co3 -117.4(4) . . . . ?
B5 C1 C2 B6 37.7(4) . . . . ?
B5 C1 C2 B7 -68.6(5) . . . . ?
B5 C1 C2 B11 -2.0(5) . . . . ?
B5 C1 C2 C17 140.1(4) . . . . ?
B5 C1 B4 Co3 153.5(4) . . . . ?
B5 C1 B4 B8 102.1(5) . . . . ?
B5 C1 B4 B9 39.2(4) . . . . ?
B5 C1 B6 C2 -139.3(4) . . . . ?
B5 C1 B6 B10 -40.4(4) . . . . ?
B5 C1 B6 B11 -102.6(4) . . . . ?
B5 C1 C10 C11 46.2(6) . . . . ?
B5 C1 C10 C15 -133.8(5) . . . . ?
B5 B4 B8 Co3 111.7(4) . . . . ?
B5 B4 B8 B7 63.2(5) . . . . ?
B5 B4 B8 B9 -37.4(4) . . . . ?
B5 B4 B8 B12 0.8(5) . . . . ?
B5 B4 B9 B8 138.3(5) . . . . ?
B5 B4 B9 B10 36.8(4) . . . . ?
B5 B4 B9 B12 100.3(5) . . . . ?
B5 B6 B10 B9 -36.0(4) . . . . ?
B5 B6 B10 B11 -135.6(5) . . . . ?
B5 B6 B10 B12 -99.7(5) . . . . ?
B5 B6 B11 C2 -95.4(4) . . . . ?
B5 B6 B11 B7 -61.7(5) . . . . ?
B5 B6 B11 B10 39.7(4) . . . . ?
B5 B6 B11 B12 2.9(6) . . . . ?
B5 B9 B10 B6 35.8(4) . . . . ?
B5 B9 B10 B11 98.1(4) . . . . ?
B5 B9 B10 B12 136.4(5) . . . . ?
B5 B9 B12 B7 63.5(5) . . . . ?
B5 B9 B12 B8 102.7(4) . . . . ?
B5 B9 B12 B10 -38.9(4) . . . . ?
B5 B9 B12 B11 -0.3(6) . . . . ?
B5 B10 B11 C2 1.2(5) . . . . ?
B5 B10 B11 B6 -38.6(4) . . . . ?
B5 B10 B11 B7 65.0(5) . . . . ?
B5 B10 B11 B12 101.1(4) . . . . ?
B5 B10 B12 B7 -61.9(5) . . . . ?
B5 B10 B12 B8 3.4(6) . . . . ?
B5 B10 B12 B9 38.4(4) . . . . ?
B5 B10 B12 B11 -98.0(4) . . . . ?
B6 C1 C2 Co3 -155.1(3) . . . . ?
B6 C1 C2 B7 -106.3(4) . . . . ?
B6 C1 C2 B11 -39.7(4) . . . . ?
B6 C1 C2 C17 102.5(4) . . . . ?
B6 C1 B4 Co3 118.0(4) . . . . ?
B6 C1 B4 B5 -35.5(4) . . . . ?
B6 C1 B4 B8 66.6(5) . . . . ?
B6 C1 B4 B9 3.7(6) . . . . ?
B6 C1 B5 B4 142.4(4) . . . . ?
B6 C1 B5 B9 103.4(5) . . . . ?
B6 C1 B5 B10 40.6(4) . . . . ?
B6 C1 C10 C11 114.3(5) . . . . ?
B6 C1 C10 C15 -65.7(6) . . . . ?
B6 C2 B7 Co3 -117.6(4) . . . . ?
B6 C2 B7 B8 -65.9(5) . . . . ?
B6 C2 B7 B11 34.6(4) . . . . ?
B6 C2 B7 B12 -4.4(5) . . . . ?
B6 C2 B11 B7 -143.4(4) . . . . ?
B6 C2 B11 B10 -40.0(4) . . . . ?
B6 C2 B11 B12 -103.4(5) . . . . ?
B6 C2 C17 C16 66.4(6) . . . . ?
B6 C2 C17 C18 -114.3(5) . . . . ?
B6 B5 B9 B4 103.0(5) . . . . ?
B6 B5 B9 B8 64.9(5) . . . . ?
B6 B5 B9 B10 -36.5(4) . . . . ?
B6 B5 B9 B12 2.1(6) . . . . ?
B6 B5 B10 B9 139.6(4) . . . . ?
B6 B5 B10 B11 38.6(4) . . . . ?
B6 B5 B10 B12 100.7(5) . . . . ?
B6 B10 B11 C2 39.7(4) . . . . ?
B6 B10 B11 B7 103.6(4) . . . . ?
B6 B10 B11 B12 139.6(4) . . . . ?
B6 B10 B12 B7 0.4(6) . . . . ?
B6 B10 B12 B8 65.7(5) . . . . ?
B6 B10 B12 B9 100.7(4) . . . . ?
B6 B10 B12 B11 -35.7(4) . . . . ?
B6 B11 B12 B7 -103.6(4) . . . . ?
B6 B11 B12 B8 -65.4(5) . . . . ?
B6 B11 B12 B9 -1.6(6) . . . . ?
B6 B11 B12 B10 36.8(4) . . . . ?
B7 C2 B6 C1 102.1(4) . . . . ?
B7 C2 B6 B5 67.4(5) . . . . ?
B7 C2 B6 B10 4.7(5) . . . . ?
B7 C2 B6 B11 -34.9(4) . . . . ?
B7 C2 B11 B6 143.4(4) . . . . ?
B7 C2 B11 B10 103.5(5) . . . . ?
B7 C2 B11 B12 40.0(4) . . . . ?
B7 C2 C17 C16 -150.0(4) . . . . ?
B7 C2 C17 C18 29.3(7) . . . . ?
B7 B8 B9 B4 -98.7(4) . . . . ?
B7 B8 B9 B5 -60.8(5) . . . . ?
B7 B8 B9 B10 3.6(5) . . . . ?
B7 B8 B9 B12 38.3(4) . . . . ?
B7 B8 B12 B9 -136.7(4) . . . . ?
B7 B8 B12 B10 -102.0(5) . . . . ?
B7 B8 B12 B11 -37.9(4) . . . . ?
B7 B11 B12 B8 38.2(4) . . . . ?
B7 B11 B12 B9 102.0(4) . . . . ?
B7 B11 B12 B10 140.3(4) . . . . ?
B8 B4 B5 C1 -97.6(4) . . . . ?
B8 B4 B5 B6 -62.9(5) . . . . ?
B8 B4 B5 B9 37.6(4) . . . . ?
B8 B4 B5 B10 1.3(6) . . . . ?
B8 B4 B9 B5 -138.3(5) . . . . ?
B8 B4 B9 B10 -101.5(5) . . . . ?
B8 B4 B9 B12 -38.0(4) . . . . ?
B8 B7 B11 C2 98.0(4) . . . . ?
B8 B7 B11 B6 64.4(5) . . . . ?
B8 B7 B11 B10 -0.6(5) . . . . ?
B8 B7 B11 B12 -36.7(4) . . . . ?
B8 B7 B12 B9 38.9(4) . . . . ?
B8 B7 B12 B10 102.3(5) . . . . ?
B8 B7 B12 B11 138.3(4) . . . . ?
B8 B9 B10 B5 -102.0(4) . . . . ?
B8 B9 B10 B6 -66.3(5) . . . . ?
B8 B9 B10 B11 -3.9(5) . . . . ?
B8 B9 B10 B12 34.4(4) . . . . ?
B8 B9 B12 B7 -39.3(4) . . . . ?
B8 B9 B12 B10 -141.6(4) . . . . ?
B8 B9 B12 B11 -103.1(4) . . . . ?
B9 B4 B5 C1 -135.1(5) . . . . ?
B9 B4 B5 B6 -100.5(5) . . . . ?
B9 B4 B5 B10 -36.3(4) . . . . ?
B9 B4 B8 Co3 149.1(4) . . . . ?
B9 B4 B8 B7 100.6(5) . . . . ?
B9 B4 B8 B12 38.2(4) . . . . ?
B9 B5 B6 C1 -97.6(4) . . . . ?
B9 B5 B6 C2 -64.1(5) . . . . ?
B9 B5 B6 B10 36.5(4) . . . . ?
B9 B5 B6 B11 -3.1(6) . . . . ?
B9 B5 B10 B6 -139.6(4) . . . . ?
B9 B5 B10 B11 -101.0(5) . . . . ?
B9 B5 B10 B12 -38.8(4) . . . . ?
B9 B8 B12 B7 136.7(4) . . . . ?
B9 B8 B12 B10 34.7(4) . . . . ?
B9 B8 B12 B11 98.8(5) . . . . ?
B9 B10 B11 C2 -61.1(5) . . . . ?
B9 B10 B11 B6 -100.8(4) . . . . ?
B9 B10 B11 B7 2.8(5) . . . . ?
B9 B10 B11 B12 38.8(4) . . . . ?
B9 B10 B12 B7 -100.3(5) . . . . ?
B9 B10 B12 B8 -35.0(4) . . . . ?
B9 B10 B12 B11 -136.5(4) . . . . ?
B10 B5 B6 C1 -134.0(4) . . . . ?
B10 B5 B6 C2 -100.5(4) . . . . ?
B10 B5 B6 B11 -39.5(4) . . . . ?
B10 B5 B9 B4 139.6(5) . . . . ?
B10 B5 B9 B8 101.4(5) . . . . ?
B10 B5 B9 B12 38.7(4) . . . . ?
B10 B6 B11 C2 -135.0(4) . . . . ?
B10 B6 B11 B7 -101.4(5) . . . . ?
B10 B6 B11 B12 -36.8(4) . . . . ?
B10 B9 B12 B7 102.3(5) . . . . ?
B10 B9 B12 B8 141.6(4) . . . . ?
B10 B9 B12 B11 38.5(4) . . . . ?
B10 B11 B12 B7 -140.3(4) . . . . ?
B10 B11 B12 B8 -102.2(5) . . . . ?
B10 B11 B12 B9 -38.4(4) . . . . ?
C10 C1 C2 Co3 102.9(4) . . . . ?
C10 C1 C2 B6 -102.0(5) . . . . ?
C10 C1 C2 B7 151.7(4) . . . . ?
C10 C1 C2 B11 -141.7(4) . . . . ?
C10 C1 C2 C17 0.5(6) . . . . ?
C10 C1 B4 Co3 -99.7(4) . . . . ?
C10 C1 B4 B5 106.8(5) . . . . ?
C10 C1 B4 B8 -151.1(5) . . . . ?
C10 C1 B4 B9 146.0(5) . . . . ?
C10 C1 B5 B4 -116.5(5) . . . . ?
C10 C1 B5 B6 101.1(5) . . . . ?
C10 C1 B5 B9 -155.5(4) . . . . ?
C10 C1 B5 B10 141.7(4) . . . . ?
C10 C1 B6 C2 109.6(4) . . . . ?
C10 C1 B6 B5 -111.1(5) . . . . ?
C10 C1 B6 B10 -151.5(4) . . . . ?
C10 C1 B6 B11 146.3(4) . . . . ?
C10 C11 C12 C13 1.4(8) . . . . ?
C10 C15 C16 C17 0.2(7) . . . . ?
C10 C15 C16 C21 -177.6(4) . . . . ?
B11 C2 B6 C1 137.0(4) . . . . ?
B11 C2 B6 B5 102.3(4) . . . . ?
B11 C2 B6 B10 39.6(4) . . . . ?
B11 C2 B7 Co3 -152.2(4) . . . . ?
B11 C2 B7 B8 -100.5(5) . . . . ?
B11 C2 B7 B12 -39.0(4) . . . . ?
B11 C2 C17 C16 135.0(5) . . . . ?
B11 C2 C17 C18 -45.6(6) . . . . ?
B11 B6 B10 B5 135.6(5) . . . . ?
B11 B6 B10 B9 99.6(5) . . . . ?
B11 B6 B10 B12 35.8(4) . . . . ?
B11 B7 B8 Co3 -111.7(4) . . . . ?
B11 B7 B8 B4 -63.2(5) . . . . ?
B11 B7 B8 B9 -1.9(5) . . . . ?
B11 B7 B8 B12 36.8(4) . . . . ?
B11 B7 B12 B8 -138.3(4) . . . . ?
B11 B7 B12 B9 -99.3(5) . . . . ?
B11 B7 B12 B10 -35.9(4) . . . . ?
B11 B10 B12 B7 36.1(4) . . . . ?
B11 B10 B12 B8 101.5(5) . . . . ?
B11 B10 B12 B9 136.5(4) . . . . ?
C11 C10 C15 C14 -0.4(7) . . . . ?
C11 C10 C15 C16 176.7(4) . . . . ?
C11 C12 C13 C14 -0.5(8) . . . . ?
B12 B7 B8 Co3 -148.5(4) . . . . ?
B12 B7 B8 B4 -99.9(5) . . . . ?
B12 B7 B8 B9 -38.6(4) . . . . ?
B12 B7 B11 C2 134.7(4) . . . . ?
B12 B7 B11 B6 101.2(5) . . . . ?
B12 B7 B11 B10 36.2(4) . . . . ?
B12 B8 B9 B4 -137.0(4) . . . . ?
B12 B8 B9 B5 -99.0(5) . . . . ?
B12 B8 B9 B10 -34.7(4) . . . . ?
B12 B9 B10 B5 -136.4(5) . . . . ?
B12 B9 B10 B6 -100.7(5) . . . . ?
B12 B9 B10 B11 -38.3(4) . . . . ?
B12 B10 B11 C2 -99.9(5) . . . . ?
B12 B10 B11 B6 -139.6(4) . . . . ?
B12 B10 B11 B7 -36.0(4) . . . . ?
C12 C13 C14 C15 -0.9(8) . . . . ?
C13 C14 C15 C10 1.4(7) . . . . ?
C13 C14 C15 C16 -175.8(5) . . . . ?
C14 C15 C16 C17 177.2(4) . . . . ?
C14 C15 C16 C21 -0.6(7) . . . . ?
C15 C10 C11 C12 -1.0(8) . . . . ?
C15 C16 C17 C2 3.2(7) . . . . ?
C15 C16 C17 C18 -176.1(4) . . . . ?
C15 C16 C21 C20 176.3(4) . . . . ?
C16 C17 C18 C19 -1.2(7) . . . . ?
C17 C2 B6 C1 -109.8(4) . . . . ?
C17 C2 B6 B5 -144.6(4) . . . . ?
C17 C2 B6 B10 152.7(4) . . . . ?
C17 C2 B6 B11 113.2(4) . . . . ?
C17 C2 B7 Co3 99.1(4) . . . . ?
C17 C2 B7 B8 150.9(4) . . . . ?
C17 C2 B7 B11 -108.6(5) . . . . ?
C17 C2 B7 B12 -147.6(5) . . . . ?
C17 C2 B11 B6 -100.3(5) . . . . ?
C17 C2 B11 B7 116.2(5) . . . . ?
C17 C2 B11 B10 -140.3(4) . . . . ?
C17 C2 B11 B12 156.2(4) . . . . ?
C17 C16 C21 C20 -1.6(7) . . . . ?
C17 C18 C19 C20 0.4(7) . . . . ?
C18 C19 C20 C21 -0.3(8) . . . . ?
C19 C20 C21 C16 0.9(7) . . . . ?
C21 C16 C17 C2 -178.9(4) . . . . ?
C21 C16 C17 C18 1.7(7) . . . . ?
C31 C32 C33 Co3 59.6(4) . . . . ?
C31 C32 C33 C34 0.2(6) . . . . ?
C32 C31 C35 Co3 -59.9(4) . . . . ?
C32 C31 C35 C34 -0.1(6) . . . . ?
C32 C33 C34 Co3 60.7(4) . . . . ?
C32 C33 C34 C35 -0.2(6) . . . . ?
C33 C34 C35 Co3 61.0(4) . . . . ?
C33 C34 C35 C31 0.2(6) . . . . ?
C35 C31 C32 Co3 59.1(4) . . . . ?
C35 C31 C32 C33 0.0(6) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.51(2)
2 0.49(2)

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_pb1
_database_code_depnum_ccdc_archive 'CCDC 1479552'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-06-07 downloaded from the CCDC.
;
_audit_creation_date             2016-04-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H17 B9 O3 Ru'
_chemical_formula_sum            'C17 H17 B9 O3 Ru'
_chemical_formula_weight         467.66
_chemical_melting_point          ?
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.2120(10)
_cell_length_b                   10.3136(10)
_cell_length_c                   10.3514(10)
_cell_angle_alpha                115.178(5)
_cell_angle_beta                 90.018(5)
_cell_angle_gamma                90.089(5)
_cell_volume                     986.65(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9447
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      40.469
_cell_measurement_theta_min      2.335
_shelx_estimated_absorpt_T_max   0.712
_shelx_estimated_absorpt_T_min   0.678
_exptl_absorpt_coefficient_mu    0.811
_exptl_absorpt_correction_T_max  0.7482
_exptl_absorpt_correction_T_min  0.7083
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0457 before and 0.0387 after correction.
The Ratio of minimum to maximum transmission is 0.9467.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             464
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.45
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.871
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            37564
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.871
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         41.778
_diffrn_reflns_theta_min         2.174
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.871
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11170
_reflns_number_total             11330
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.533
_refine_diff_density_min         -0.880
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         11330
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0201
_refine_ls_R_factor_gt           0.0194
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0182P)²+0.0705P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0422
_refine_ls_wR_factor_ref         0.0424
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.592 0.408
2. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C11(H11A), C12(H12A), C13(H13), C14(H14), C17(H17), C18(H18), C19(H19),
 C20(H20)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.27750(8) 0.36670(9) 0.25657(9) 0.01015(13) Uani 1 1 d . . . . .
C2 C 0.26180(8) 0.33372(9) 0.09206(9) 0.00988(13) Uani 1 1 d . . . . .
Ru3 Ru 0.05439(2) 0.33901(2) 0.19334(2) 0.00875(1) Uani 1 1 d . . . . .
B4 B 0.17498(10) 0.50972(11) 0.36702(10) 0.01169(15) Uani 1 1 d . . . . .
H4 H 0.1479(15) 0.5171(17) 0.4719(16) 0.014 Uiso 1 1 d R . . . .
B5 B 0.34919(10) 0.53141(11) 0.35165(11) 0.01250(16) Uani 1 1 d . . . . .
H5 H 0.4094(15) 0.5428(16) 0.4414(16) 0.015 Uiso 1 1 d R . . . .
B6 B 0.40494(10) 0.42008(11) 0.17699(11) 0.01210(16) Uani 1 1 d . . . . .
H6 H 0.4901(15) 0.3587(16) 0.1553(16) 0.015 Uiso 1 1 d R . . . .
B7 B 0.14645(10) 0.44949(11) 0.06788(10) 0.01125(15) Uani 1 1 d . . . . .
H7 H 0.1031(15) 0.4167(17) -0.0322(16) 0.013 Uiso 1 1 d R . . . .
B8 B 0.09395(10) 0.57326(11) 0.24763(11) 0.01206(15) Uani 1 1 d . . . . .
H8 H 0.0100(15) 0.6368(17) 0.2681(16) 0.014 Uiso 1 1 d R . . . .
B9 B 0.23933(11) 0.66053(11) 0.34222(11) 0.01275(16) Uani 1 1 d . . . . .
H9 H 0.2350(16) 0.7696(17) 0.4292(16) 0.015 Uiso 1 1 d R . . . .
C10 C 0.31493(8) 0.24413(10) 0.29084(9) 0.01075(13) Uani 1 1 d . . . . .
B10 B 0.37643(11) 0.60462(11) 0.22496(12) 0.01334(16) Uani 1 1 d . . . . .
H10 H 0.4625(16) 0.6692(16) 0.2335(16) 0.016 Uiso 1 1 d R . . . .
B11 B 0.32062(10) 0.47173(11) 0.05692(11) 0.01222(16) Uani 1 1 d . . . . .
H11 H 0.3702(15) 0.4477(16) -0.0465(16) 0.015 Uiso 1 1 d R . . . .
C11 C 0.33174(10) 0.27103(10) 0.43473(10) 0.01384(15) Uani 1 1 d . . . . .
H11A H 0.3203 0.3654 0.5071 0.017 Uiso 1 1 calc R . . . .
B12 B 0.22104(11) 0.62262(11) 0.15666(11) 0.01273(16) Uani 1 1 d . . . . .
H12 H 0.2086(16) 0.6989(17) 0.1129(16) 0.015 Uiso 1 1 d R . . . .
C12 C 0.36503(10) 0.16063(11) 0.47261(11) 0.01646(16) Uani 1 1 d . . . . .
H12A H 0.3762 0.1796 0.5701 0.020 Uiso 1 1 calc R . . . .
C13 C 0.38174(10) 0.02205(11) 0.36588(12) 0.01682(16) Uani 1 1 d . . . . .
H13 H 0.4038 -0.0538 0.3908 0.020 Uiso 1 1 calc R . . . .
C14 C 0.36609(10) -0.00508(11) 0.22309(11) 0.01531(16) Uani 1 1 d . . . . .
H14 H 0.3784 -0.0999 0.1518 0.018 Uiso 1 1 calc R . . . .
C15 C 0.33246(9) 0.10391(9) 0.18094(10) 0.01108(13) Uani 1 1 d . . . . .
C16 C 0.31519(8) 0.07267(9) 0.02798(10) 0.01093(13) Uani 1 1 d . . . . .
C17 C 0.32820(10) -0.06843(10) -0.08042(11) 0.01448(15) Uani 1 1 d . . . . .
H17 H 0.3500 -0.1436 -0.0542 0.017 Uiso 1 1 calc R . . . .
C18 C 0.31002(10) -0.10042(11) -0.22385(11) 0.01637(17) Uani 1 1 d . . . . .
H18 H 0.3197 -0.1962 -0.2940 0.020 Uiso 1 1 calc R . . . .
C19 C 0.27745(10) 0.00864(11) -0.26499(10) 0.01585(16) Uani 1 1 d . . . . .
H19 H 0.2641 -0.0128 -0.3628 0.019 Uiso 1 1 calc R . . . .
C20 C 0.26484(10) 0.14877(10) -0.16099(10) 0.01349(14) Uani 1 1 d . . . . .
H20 H 0.2440 0.2231 -0.1887 0.016 Uiso 1 1 calc R . . . .
C21 C 0.28254(8) 0.18173(9) -0.01550(9) 0.01046(13) Uani 1 1 d . . . . .
O31 O 0.00758(9) 0.18061(10) 0.38700(9) 0.02077(15) Uani 1 1 d . . . . .
C31 C 0.02186(9) 0.23460(11) 0.31254(10) 0.01408(15) Uani 1 1 d . . . . .
C32 C -0.00552(9) 0.17706(10) 0.01918(10) 0.01278(14) Uani 1 1 d . . . . .
O32 O -0.03849(8) 0.08763(8) -0.08573(8) 0.01808(14) Uani 1 1 d . . . . .
O33 O -0.22402(8) 0.45136(9) 0.23937(9) 0.01940(14) Uani 1 1 d . . . . .
C33 C -0.11949(9) 0.40830(10) 0.22281(10) 0.01337(14) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1 C2 1.5963(12) . ?
C1 Ru3 2.3535(9) . ?
C1 B4 1.7747(13) . ?
C1 B5 1.7215(14) . ?
C1 B6 1.7492(14) . ?
C1 C10 1.5010(13) . ?
C2 Ru3 2.3540(9) . ?
C2 B6 1.7412(14) . ?
C2 B7 1.7705(13) . ?
C2 B11 1.7196(14) . ?
C2 C21 1.5027(12) . ?
Ru3 B4 2.2688(10) . ?
Ru3 B7 2.2639(10) . ?
Ru3 B8 2.2710(11) . ?
Ru3 C31 1.9804(10) . ?
Ru3 C32 1.9618(10) . ?
Ru3 C33 1.8909(10) . ?
B4 H4 1.091(14) . ?
B4 B5 1.8081(15) . ?
B4 B8 1.8253(15) . ?
B4 B9 1.8038(15) . ?
B5 H5 1.078(15) . ?
B5 B6 1.7741(14) . ?
B5 B9 1.7767(15) . ?
B5 B10 1.7915(16) . ?
B6 H6 1.043(15) . ?
B6 B10 1.7753(15) . ?
B6 B11 1.7703(15) . ?
B7 H7 1.042(15) . ?
B7 B8 1.8332(14) . ?
B7 B11 1.8028(15) . ?
B7 B12 1.7923(15) . ?
B8 H8 1.046(15) . ?
B8 B9 1.7939(15) . ?
B8 B12 1.7992(15) . ?
B9 H9 1.103(16) . ?
B9 B10 1.7816(15) . ?
B9 B12 1.7994(15) . ?
C10 C11 1.4047(13) . ?
C10 C15 1.4209(13) . ?
B10 H10 1.082(16) . ?
B10 B11 1.7881(15) . ?
B10 B12 1.7788(16) . ?
B11 H11 1.113(15) . ?
B11 B12 1.7777(15) . ?
C11 H11A 0.9500 . ?
C11 C12 1.3952(14) . ?
B12 H12 1.069(16) . ?
C12 H12A 0.9500 . ?
C12 C13 1.3963(15) . ?
C13 H13 0.9500 . ?
C13 C14 1.3916(15) . ?
C14 H14 0.9500 . ?
C14 C15 1.4107(13) . ?
C15 C16 1.4857(13) . ?
C16 C17 1.4163(13) . ?
C16 C21 1.4180(13) . ?
C17 H17 0.9500 . ?
C17 C18 1.3894(14) . ?
C18 H18 0.9500 . ?
C18 C19 1.4021(16) . ?
C19 H19 0.9500 . ?
C19 C20 1.3933(13) . ?
C20 H20 0.9500 . ?
C20 C21 1.4073(13) . ?
O31 C31 1.1360(13) . ?
C32 O32 1.1358(12) . ?
O33 C33 1.1414(12) . ?

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
C2 C1 Ru3 70.20(4) . . ?
C2 C1 B4 111.70(7) . . ?
C2 C1 B5 111.27(7) . . ?
C2 C1 B6 62.53(6) . . ?
B4 C1 Ru3 64.92(4) . . ?
B5 C1 Ru3 122.85(6) . . ?
B5 C1 B4 62.26(6) . . ?
B5 C1 B6 61.48(6) . . ?
B6 C1 Ru3 127.88(6) . . ?
B6 C1 B4 113.66(7) . . ?
C10 C1 C2 117.32(7) . . ?
C10 C1 Ru3 107.38(6) . . ?
C10 C1 B4 123.49(7) . . ?
C10 C1 B5 118.81(7) . . ?
C10 C1 B6 112.73(7) . . ?
C1 C2 Ru3 70.16(4) . . ?
C1 C2 B6 63.04(6) . . ?
C1 C2 B7 111.52(6) . . ?
C1 C2 B11 111.78(7) . . ?
B6 C2 Ru3 128.30(6) . . ?
B6 C2 B7 113.53(7) . . ?
B7 C2 Ru3 64.79(4) . . ?
B11 C2 Ru3 122.89(6) . . ?
B11 C2 B6 61.53(6) . . ?
B11 C2 B7 62.18(6) . . ?
C21 C2 C1 117.25(7) . . ?
C21 C2 Ru3 106.12(6) . . ?
C21 C2 B6 113.75(7) . . ?
C21 C2 B7 122.96(7) . . ?
C21 C2 B11 119.34(7) . . ?
C1 Ru3 C2 39.64(3) . . ?
B4 Ru3 C1 45.11(3) . . ?
B4 Ru3 C2 74.27(3) . . ?
B4 Ru3 B8 47.42(4) . . ?
B7 Ru3 C1 74.16(3) . . ?
B7 Ru3 C2 45.04(3) . . ?
B7 Ru3 B4 79.62(4) . . ?
B7 Ru3 B8 47.69(4) . . ?
B8 Ru3 C1 76.72(3) . . ?
B8 Ru3 C2 76.84(3) . . ?
C31 Ru3 C1 91.28(4) . . ?
C31 Ru3 C2 120.81(3) . . ?
C31 Ru3 B4 92.36(4) . . ?
C31 Ru3 B7 165.12(4) . . ?
C31 Ru3 B8 132.72(4) . . ?
C32 Ru3 C1 120.73(3) . . ?
C32 Ru3 C2 91.18(3) . . ?
C32 Ru3 B4 165.13(4) . . ?
C32 Ru3 B7 92.35(4) . . ?
C32 Ru3 B8 133.02(4) . . ?
C32 Ru3 C31 92.56(4) . . ?
C33 Ru3 C1 150.67(4) . . ?
C33 Ru3 C2 148.55(4) . . ?
C33 Ru3 B4 105.56(4) . . ?
C33 Ru3 B7 103.55(4) . . ?
C33 Ru3 B8 80.58(4) . . ?
C33 Ru3 C31 90.62(4) . . ?
C33 Ru3 C32 88.41(4) . . ?
C1 B4 Ru3 69.97(4) . . ?
C1 B4 H4 118.6(8) . . ?
C1 B4 B5 57.42(5) . . ?
C1 B4 B8 105.75(7) . . ?
C1 B4 B9 102.96(7) . . ?
Ru3 B4 H4 110.7(8) . . ?
B5 B4 Ru3 123.10(6) . . ?
B5 B4 H4 112.2(8) . . ?
B5 B4 B8 107.05(7) . . ?
B8 B4 Ru3 66.36(5) . . ?
B8 B4 H4 131.7(8) . . ?
B9 B4 Ru3 120.61(6) . . ?
B9 B4 H4 122.3(8) . . ?
B9 B4 B5 58.93(6) . . ?
B9 B4 B8 59.25(6) . . ?
C1 B5 B4 60.31(6) . . ?
C1 B5 H5 117.0(8) . . ?
C1 B5 B6 60.03(6) . . ?
C1 B5 B9 106.33(7) . . ?
C1 B5 B10 105.53(7) . . ?
B4 B5 H5 117.2(8) . . ?
B6 B5 B4 110.86(7) . . ?
B6 B5 H5 118.7(8) . . ?
B6 B5 B9 108.85(7) . . ?
B6 B5 B10 59.72(6) . . ?
B9 B5 B4 60.41(6) . . ?
B9 B5 H5 126.8(8) . . ?
B9 B5 B10 59.91(6) . . ?
B10 B5 B4 108.86(7) . . ?
B10 B5 H5 128.1(8) . . ?
C1 B6 B5 58.49(6) . . ?
C1 B6 H6 116.0(8) . . ?
C1 B6 B10 105.06(7) . . ?
C1 B6 B11 102.58(7) . . ?
C2 B6 C1 54.43(5) . . ?
C2 B6 B5 102.39(7) . . ?
C2 B6 H6 117.2(8) . . ?
C2 B6 B10 105.04(7) . . ?
C2 B6 B11 58.64(6) . . ?
B5 B6 H6 124.0(9) . . ?
B5 B6 B10 60.63(6) . . ?
B10 B6 H6 132.8(8) . . ?
B11 B6 B5 107.52(7) . . ?
B11 B6 H6 126.2(9) . . ?
B11 B6 B10 60.57(6) . . ?
C2 B7 Ru3 70.18(4) . . ?
C2 B7 H7 118.1(9) . . ?
C2 B7 B8 105.82(7) . . ?
C2 B7 B11 57.53(5) . . ?
C2 B7 B12 103.31(7) . . ?
Ru3 B7 H7 111.4(9) . . ?
B8 B7 Ru3 66.36(5) . . ?
B8 B7 H7 132.5(8) . . ?
B11 B7 Ru3 123.62(6) . . ?
B11 B7 H7 110.6(8) . . ?
B11 B7 B8 107.54(7) . . ?
B12 B7 Ru3 121.08(6) . . ?
B12 B7 H7 121.4(9) . . ?
B12 B7 B8 59.49(6) . . ?
B12 B7 B11 59.27(6) . . ?
Ru3 B8 H8 114.5(9) . . ?
B4 B8 Ru3 66.23(5) . . ?
B4 B8 B7 104.98(7) . . ?
B4 B8 H8 127.6(9) . . ?
B7 B8 Ru3 65.95(5) . . ?
B7 B8 H8 123.5(8) . . ?
B9 B8 Ru3 120.97(6) . . ?
B9 B8 B4 59.78(6) . . ?
B9 B8 B7 106.39(7) . . ?
B9 B8 H8 116.3(8) . . ?
B9 B8 B12 60.11(6) . . ?
B12 B8 Ru3 120.37(6) . . ?
B12 B8 B4 106.88(7) . . ?
B12 B8 B7 59.12(6) . . ?
B12 B8 H8 113.9(9) . . ?
B4 B9 H9 120.7(8) . . ?
B5 B9 B4 60.66(6) . . ?
B5 B9 B8 109.82(7) . . ?
B5 B9 H9 120.7(9) . . ?
B5 B9 B10 60.46(6) . . ?
B5 B9 B12 107.23(7) . . ?
B8 B9 B4 60.97(6) . . ?
B8 B9 H9 120.7(9) . . ?
B8 B9 B12 60.09(6) . . ?
B10 B9 B4 109.50(7) . . ?
B10 B9 B8 109.66(7) . . ?
B10 B9 H9 120.8(9) . . ?
B10 B9 B12 59.57(6) . . ?
B12 B9 B4 107.79(7) . . ?
B12 B9 H9 123.3(8) . . ?
C11 C10 C1 118.39(8) . . ?
C11 C10 C15 120.53(8) . . ?
C15 C10 C1 121.08(8) . . ?
B5 B10 H10 120.1(8) . . ?
B6 B10 B5 59.65(6) . . ?
B6 B10 B9 108.58(8) . . ?
B6 B10 H10 116.0(8) . . ?
B6 B10 B11 59.58(6) . . ?
B6 B10 B12 108.51(7) . . ?
B9 B10 B5 59.64(6) . . ?
B9 B10 H10 124.9(8) . . ?
B9 B10 B11 107.77(8) . . ?
B11 B10 B5 106.00(7) . . ?
B11 B10 H10 121.8(8) . . ?
B12 B10 B5 107.49(8) . . ?
B12 B10 B9 60.72(6) . . ?
B12 B10 H10 126.3(8) . . ?
B12 B10 B11 59.79(6) . . ?
C2 B11 B6 59.83(6) . . ?
C2 B11 B7 60.29(6) . . ?
C2 B11 B10 105.40(7) . . ?
C2 B11 H11 119.7(8) . . ?
C2 B11 B12 106.05(7) . . ?
B6 B11 B7 110.58(7) . . ?
B6 B11 B10 59.85(6) . . ?
B6 B11 H11 116.3(8) . . ?
B6 B11 B12 108.78(7) . . ?
B7 B11 H11 121.8(8) . . ?
B10 B11 B7 108.49(7) . . ?
B10 B11 H11 123.8(8) . . ?
B12 B11 B7 60.07(6) . . ?
B12 B11 B10 59.85(6) . . ?
B12 B11 H11 127.0(8) . . ?
C10 C11 H11A 119.6 . . ?
C12 C11 C10 120.74(9) . . ?
C12 C11 H11A 119.6 . . ?
B7 B12 B8 61.39(6) . . ?
B7 B12 B9 107.92(7) . . ?
B7 B12 H12 119.0(9) . . ?
B8 B12 H12 123.9(9) . . ?
B9 B12 B8 59.80(6) . . ?
B9 B12 H12 126.8(8) . . ?
B10 B12 B7 109.38(7) . . ?
B10 B12 B8 109.55(7) . . ?
B10 B12 B9 59.72(6) . . ?
B10 B12 H12 119.7(9) . . ?
B11 B12 B7 60.66(6) . . ?
B11 B12 B8 110.17(7) . . ?
B11 B12 B9 107.44(7) . . ?
B11 B12 B10 60.37(6) . . ?
B11 B12 H12 116.3(8) . . ?
C11 C12 H12A 120.3 . . ?
C11 C12 C13 119.41(9) . . ?
C13 C12 H12A 120.3 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.12(9) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 119.0 . . ?
C13 C14 C15 121.99(9) . . ?
C15 C14 H14 119.0 . . ?
C10 C15 C16 121.57(8) . . ?
C14 C15 C10 117.20(8) . . ?
C14 C15 C16 121.22(8) . . ?
C17 C16 C15 121.13(8) . . ?
C17 C16 C21 117.23(8) . . ?
C21 C16 C15 121.63(8) . . ?
C16 C17 H17 119.0 . . ?
C18 C17 C16 122.06(9) . . ?
C18 C17 H17 119.0 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 119.99(9) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.36(9) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 119.5 . . ?
C19 C20 C21 120.91(9) . . ?
C21 C20 H20 119.5 . . ?
C16 C21 C2 121.12(8) . . ?
C20 C21 C2 118.40(8) . . ?
C20 C21 C16 120.45(8) . . ?
O31 C31 Ru3 175.96(9) . . ?
O32 C32 Ru3 176.19(9) . . ?
O33 C33 Ru3 178.90(9) . . ?

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
C1 C2 B6 B5 -35.42(6) . . . . ?
C1 C2 B6 B10 -97.97(7) . . . . ?
C1 C2 B6 B11 -138.54(7) . . . . ?
C1 C2 B7 Ru3 -53.92(6) . . . . ?
C1 C2 B7 B8 3.04(9) . . . . ?
C1 C2 B7 B11 104.06(8) . . . . ?
C1 C2 B7 B12 64.67(9) . . . . ?
C1 C2 B11 B6 39.46(7) . . . . ?
C1 C2 B11 B7 -103.64(7) . . . . ?
C1 C2 B11 B10 -0.84(9) . . . . ?
C1 C2 B11 B12 -63.27(9) . . . . ?
C1 C2 C21 C16 -0.23(12) . . . . ?
C1 C2 C21 C20 177.83(8) . . . . ?
C1 B4 B5 B6 33.64(7) . . . . ?
C1 B4 B5 B9 134.09(7) . . . . ?
C1 B4 B5 B10 97.53(7) . . . . ?
C1 B4 B8 Ru3 59.20(5) . . . . ?
C1 B4 B8 B7 4.56(9) . . . . ?
C1 B4 B8 B9 -95.93(7) . . . . ?
C1 B4 B8 B12 -57.14(9) . . . . ?
C1 B4 B9 B5 -38.40(6) . . . . ?
C1 B4 B9 B8 100.79(7) . . . . ?
C1 B4 B9 B10 -1.44(9) . . . . ?
C1 B4 B9 B12 61.77(8) . . . . ?
C1 B5 B6 C2 33.57(6) . . . . ?
C1 B5 B6 B10 134.01(7) . . . . ?
C1 B5 B6 B11 94.26(7) . . . . ?
C1 B5 B9 B4 40.56(6) . . . . ?
C1 B5 B9 B8 3.15(10) . . . . ?
C1 B5 B9 B10 -98.79(8) . . . . ?
C1 B5 B9 B12 -60.55(9) . . . . ?
C1 B5 B10 B6 -40.29(7) . . . . ?
C1 B5 B10 B9 100.14(8) . . . . ?
C1 B5 B10 B11 -1.39(9) . . . . ?
C1 B5 B10 B12 61.31(9) . . . . ?
C1 B6 B10 B5 39.42(7) . . . . ?
C1 B6 B10 B9 3.99(9) . . . . ?
C1 B6 B10 B11 -96.15(7) . . . . ?
C1 B6 B10 B12 -60.44(9) . . . . ?
C1 B6 B11 C2 -33.49(6) . . . . ?
C1 B6 B11 B7 0.36(9) . . . . ?
C1 B6 B11 B10 100.36(7) . . . . ?
C1 B6 B11 B12 64.56(9) . . . . ?
C1 C10 C11 C12 179.26(9) . . . . ?
C1 C10 C15 C14 -179.26(8) . . . . ?
C1 C10 C15 C16 0.27(13) . . . . ?
C2 C1 B4 Ru3 53.92(6) . . . . ?
C2 C1 B4 B5 -103.40(8) . . . . ?
C2 C1 B4 B8 -2.96(9) . . . . ?
C2 C1 B4 B9 -64.26(9) . . . . ?
C2 C1 B5 B4 104.10(7) . . . . ?
C2 C1 B5 B6 -39.20(7) . . . . ?
C2 C1 B5 B9 63.50(9) . . . . ?
C2 C1 B5 B10 0.94(9) . . . . ?
C2 C1 B6 B5 138.40(7) . . . . ?
C2 C1 B6 B10 97.93(7) . . . . ?
C2 C1 B6 B11 35.40(6) . . . . ?
C2 C1 C10 C11 178.82(8) . . . . ?
C2 C1 C10 C15 -1.47(12) . . . . ?
C2 B6 B10 B5 95.96(7) . . . . ?
C2 B6 B10 B9 60.52(9) . . . . ?
C2 B6 B10 B11 -39.61(6) . . . . ?
C2 B6 B10 B12 -3.91(9) . . . . ?
C2 B6 B11 B7 33.85(6) . . . . ?
C2 B6 B11 B10 133.85(7) . . . . ?
C2 B6 B11 B12 98.05(8) . . . . ?
C2 B7 B8 Ru3 -59.42(5) . . . . ?
C2 B7 B8 B4 -4.61(9) . . . . ?
C2 B7 B8 B9 57.72(9) . . . . ?
C2 B7 B8 B12 96.36(7) . . . . ?
C2 B7 B11 B6 -33.67(7) . . . . ?
C2 B7 B11 B10 -97.56(8) . . . . ?
C2 B7 B11 B12 -134.08(7) . . . . ?
C2 B7 B12 B8 -100.70(7) . . . . ?
C2 B7 B12 B9 -61.83(8) . . . . ?
C2 B7 B12 B10 1.55(9) . . . . ?
C2 B7 B12 B11 38.52(6) . . . . ?
C2 B11 B12 B7 -40.48(6) . . . . ?
C2 B11 B12 B8 -2.84(10) . . . . ?
C2 B11 B12 B9 60.66(9) . . . . ?
C2 B11 B12 B10 98.77(8) . . . . ?
Ru3 C1 C2 B6 157.33(5) . . . . ?
Ru3 C1 C2 B7 51.02(6) . . . . ?
Ru3 C1 C2 B11 118.52(6) . . . . ?
Ru3 C1 C2 C21 -98.41(7) . . . . ?
Ru3 C1 B4 B5 -157.33(6) . . . . ?
Ru3 C1 B4 B8 -56.88(5) . . . . ?
Ru3 C1 B4 B9 -118.18(6) . . . . ?
Ru3 C1 B5 B4 24.56(6) . . . . ?
Ru3 C1 B5 B6 -118.75(7) . . . . ?
Ru3 C1 B5 B9 -16.05(9) . . . . ?
Ru3 C1 B5 B10 -78.61(8) . . . . ?
Ru3 C1 B6 C2 -27.35(6) . . . . ?
Ru3 C1 B6 B5 111.06(8) . . . . ?
Ru3 C1 B6 B10 70.58(9) . . . . ?
Ru3 C1 B6 B11 8.05(9) . . . . ?
Ru3 C1 C10 C11 -104.94(8) . . . . ?
Ru3 C1 C10 C15 74.76(9) . . . . ?
Ru3 C2 B6 C1 27.51(7) . . . . ?
Ru3 C2 B6 B5 -7.91(10) . . . . ?
Ru3 C2 B6 B10 -70.46(9) . . . . ?
Ru3 C2 B6 B11 -111.03(8) . . . . ?
Ru3 C2 B7 B8 56.96(5) . . . . ?
Ru3 C2 B7 B11 157.98(6) . . . . ?
Ru3 C2 B7 B12 118.59(6) . . . . ?
Ru3 C2 B11 B6 119.27(7) . . . . ?
Ru3 C2 B11 B7 -23.83(6) . . . . ?
Ru3 C2 B11 B10 78.97(8) . . . . ?
Ru3 C2 B11 B12 16.55(9) . . . . ?
Ru3 C2 C21 C16 -75.85(9) . . . . ?
Ru3 C2 C21 C20 102.22(8) . . . . ?
Ru3 B4 B5 C1 -25.62(7) . . . . ?
Ru3 B4 B5 B6 8.02(11) . . . . ?
Ru3 B4 B5 B9 108.47(8) . . . . ?
Ru3 B4 B5 B10 71.91(9) . . . . ?
Ru3 B4 B8 B7 -54.64(6) . . . . ?
Ru3 B4 B8 B9 -155.14(6) . . . . ?
Ru3 B4 B8 B12 -116.34(6) . . . . ?
Ru3 B4 B9 B5 -112.60(7) . . . . ?
Ru3 B4 B9 B8 26.58(6) . . . . ?
Ru3 B4 B9 B10 -75.64(9) . . . . ?
Ru3 B4 B9 B12 -12.43(9) . . . . ?
Ru3 B7 B8 B4 54.81(6) . . . . ?
Ru3 B7 B8 B9 117.14(7) . . . . ?
Ru3 B7 B8 B12 155.78(6) . . . . ?
Ru3 B7 B11 C2 25.06(6) . . . . ?
Ru3 B7 B11 B6 -8.61(10) . . . . ?
Ru3 B7 B11 B10 -72.50(9) . . . . ?
Ru3 B7 B11 B12 -109.02(8) . . . . ?
Ru3 B7 B12 B8 -26.03(6) . . . . ?
Ru3 B7 B12 B9 12.84(10) . . . . ?
Ru3 B7 B12 B10 76.22(9) . . . . ?
Ru3 B7 B12 B11 113.19(7) . . . . ?
Ru3 B8 B9 B4 -26.66(6) . . . . ?
Ru3 B8 B9 B5 10.61(10) . . . . ?
Ru3 B8 B9 B10 75.28(9) . . . . ?
Ru3 B8 B9 B12 109.58(7) . . . . ?
Ru3 B8 B12 B7 25.74(6) . . . . ?
Ru3 B8 B12 B9 -110.56(7) . . . . ?
Ru3 B8 B12 B10 -76.22(9) . . . . ?
Ru3 B8 B12 B11 -11.60(10) . . . . ?
B4 C1 C2 Ru3 -51.08(6) . . . . ?
B4 C1 C2 B6 106.26(8) . . . . ?
B4 C1 C2 B7 -0.06(10) . . . . ?
B4 C1 C2 B11 67.44(9) . . . . ?
B4 C1 C2 C21 -149.49(7) . . . . ?
B4 C1 B5 B6 -143.30(7) . . . . ?
B4 C1 B5 B9 -40.61(7) . . . . ?
B4 C1 B5 B10 -103.16(8) . . . . ?
B4 C1 B6 C2 -103.13(8) . . . . ?
B4 C1 B6 B5 35.27(7) . . . . ?
B4 C1 B6 B10 -5.20(9) . . . . ?
B4 C1 B6 B11 -67.73(8) . . . . ?
B4 C1 C10 C11 -33.94(12) . . . . ?
B4 C1 C10 C15 145.76(8) . . . . ?
B4 B5 B6 C1 -33.75(7) . . . . ?
B4 B5 B6 C2 -0.18(9) . . . . ?
B4 B5 B6 B10 100.26(8) . . . . ?
B4 B5 B6 B11 60.51(9) . . . . ?
B4 B5 B9 B8 -37.41(7) . . . . ?
B4 B5 B9 B10 -139.35(7) . . . . ?
B4 B5 B9 B12 -101.11(8) . . . . ?
B4 B5 B10 B6 -103.66(8) . . . . ?
B4 B5 B10 B9 36.77(7) . . . . ?
B4 B5 B10 B11 -64.76(9) . . . . ?
B4 B5 B10 B12 -2.06(9) . . . . ?
B4 B8 B9 B5 37.27(7) . . . . ?
B4 B8 B9 B10 101.95(8) . . . . ?
B4 B8 B9 B12 136.25(7) . . . . ?
B4 B8 B12 B7 97.66(7) . . . . ?
B4 B8 B12 B9 -38.64(7) . . . . ?
B4 B8 B12 B10 -4.31(9) . . . . ?
B4 B8 B12 B11 60.32(9) . . . . ?
B4 B9 B10 B5 -37.04(7) . . . . ?
B4 B9 B10 B6 -1.60(10) . . . . ?
B4 B9 B10 B11 61.45(9) . . . . ?
B4 B9 B10 B12 99.67(8) . . . . ?
B4 B9 B12 B7 -0.18(9) . . . . ?
B4 B9 B12 B8 39.42(7) . . . . ?
B4 B9 B12 B10 -102.59(8) . . . . ?
B4 B9 B12 B11 -64.19(9) . . . . ?
B5 C1 C2 Ru3 -118.58(6) . . . . ?
B5 C1 C2 B6 38.75(7) . . . . ?
B5 C1 C2 B7 -67.57(9) . . . . ?
B5 C1 C2 B11 -0.06(9) . . . . ?
B5 C1 C2 C21 143.00(8) . . . . ?
B5 C1 B4 Ru3 157.33(6) . . . . ?
B5 C1 B4 B8 100.44(8) . . . . ?
B5 C1 B4 B9 39.15(7) . . . . ?
B5 C1 B6 C2 -138.40(7) . . . . ?
B5 C1 B6 B10 -40.47(7) . . . . ?
B5 C1 B6 B11 -103.00(7) . . . . ?
B5 C1 C10 C11 40.22(12) . . . . ?
B5 C1 C10 C15 -140.08(9) . . . . ?
B5 B4 B8 Ru3 119.29(6) . . . . ?
B5 B4 B8 B7 64.65(8) . . . . ?
B5 B4 B8 B9 -35.84(7) . . . . ?
B5 B4 B8 B12 2.95(9) . . . . ?
B5 B4 B9 B8 139.19(7) . . . . ?
B5 B4 B9 B10 36.96(7) . . . . ?
B5 B4 B9 B12 100.17(8) . . . . ?
B5 B6 B10 B9 -35.43(7) . . . . ?
B5 B6 B10 B11 -135.57(8) . . . . ?
B5 B6 B10 B12 -99.86(8) . . . . ?
B5 B6 B11 C2 -94.08(7) . . . . ?
B5 B6 B11 B7 -60.23(9) . . . . ?
B5 B6 B11 B10 39.77(7) . . . . ?
B5 B6 B11 B12 3.97(10) . . . . ?
B5 B9 B10 B6 35.44(7) . . . . ?
B5 B9 B10 B11 98.49(8) . . . . ?
B5 B9 B10 B12 136.71(8) . . . . ?
B5 B9 B12 B7 63.76(9) . . . . ?
B5 B9 B12 B8 103.36(8) . . . . ?
B5 B9 B12 B10 -38.65(7) . . . . ?
B5 B9 B12 B11 -0.25(10) . . . . ?
B5 B10 B11 C2 1.36(9) . . . . ?
B5 B10 B11 B6 -38.94(7) . . . . ?
B5 B10 B11 B7 64.62(9) . . . . ?
B5 B10 B11 B12 101.24(8) . . . . ?
B5 B10 B12 B7 -61.59(9) . . . . ?
B5 B10 B12 B8 3.97(10) . . . . ?
B5 B10 B12 B9 38.34(7) . . . . ?
B5 B10 B12 B11 -98.68(8) . . . . ?
B6 C1 C2 Ru3 -157.33(5) . . . . ?
B6 C1 C2 B7 -106.32(8) . . . . ?
B6 C1 C2 B11 -38.81(7) . . . . ?
B6 C1 C2 C21 104.25(8) . . . . ?
B6 C1 B4 Ru3 122.35(6) . . . . ?
B6 C1 B4 B5 -34.98(7) . . . . ?
B6 C1 B4 B8 65.47(9) . . . . ?
B6 C1 B4 B9 4.17(9) . . . . ?
B6 C1 B5 B4 143.30(7) . . . . ?
B6 C1 B5 B9 102.70(8) . . . . ?
B6 C1 B5 B10 40.14(7) . . . . ?
B6 C1 C10 C11 109.09(9) . . . . ?
B6 C1 C10 C15 -71.20(10) . . . . ?
B6 C2 B7 Ru3 -122.83(6) . . . . ?
B6 C2 B7 B8 -65.87(9) . . . . ?
B6 C2 B7 B11 35.15(7) . . . . ?
B6 C2 B7 B12 -4.24(9) . . . . ?
B6 C2 B11 B7 -143.10(7) . . . . ?
B6 C2 B11 B10 -40.30(7) . . . . ?
B6 C2 B11 B12 -102.73(8) . . . . ?
B6 C2 C21 C16 70.46(10) . . . . ?
B6 C2 C21 C20 -111.48(9) . . . . ?
B6 B5 B9 B4 103.81(8) . . . . ?
B6 B5 B9 B8 66.40(9) . . . . ?
B6 B5 B9 B10 -35.53(7) . . . . ?
B6 B5 B9 B12 2.71(10) . . . . ?
B6 B5 B10 B9 140.44(8) . . . . ?
B6 B5 B10 B11 38.90(7) . . . . ?
B6 B5 B10 B12 101.61(8) . . . . ?
B6 B10 B11 C2 40.29(7) . . . . ?
B6 B10 B11 B7 103.56(8) . . . . ?
B6 B10 B11 B12 140.17(8) . . . . ?
B6 B10 B12 B7 1.47(10) . . . . ?
B6 B10 B12 B8 67.03(9) . . . . ?
B6 B10 B12 B9 101.39(8) . . . . ?
B6 B10 B12 B11 -35.62(7) . . . . ?
B6 B11 B12 B7 -103.45(8) . . . . ?
B6 B11 B12 B8 -65.80(9) . . . . ?
B6 B11 B12 B9 -2.31(10) . . . . ?
B6 B11 B12 B10 35.80(7) . . . . ?
B7 C2 B6 C1 103.14(7) . . . . ?
B7 C2 B6 B5 67.73(8) . . . . ?
B7 C2 B6 B10 5.18(9) . . . . ?
B7 C2 B6 B11 -35.39(7) . . . . ?
B7 C2 B11 B6 143.10(7) . . . . ?
B7 C2 B11 B10 102.80(7) . . . . ?
B7 C2 B11 B12 40.38(7) . . . . ?
B7 C2 C21 C16 -145.91(8) . . . . ?
B7 C2 C21 C20 32.16(12) . . . . ?
B7 B8 B9 B4 -98.07(7) . . . . ?
B7 B8 B9 B5 -60.80(9) . . . . ?
B7 B8 B9 B10 3.88(10) . . . . ?
B7 B8 B9 B12 38.18(7) . . . . ?
B7 B8 B12 B9 -136.30(7) . . . . ?
B7 B8 B12 B10 -101.97(8) . . . . ?
B7 B8 B12 B11 -37.34(7) . . . . ?
B7 B11 B12 B8 37.65(7) . . . . ?
B7 B11 B12 B9 101.15(8) . . . . ?
B7 B11 B12 B10 139.26(8) . . . . ?
B8 B4 B5 C1 -98.11(7) . . . . ?
B8 B4 B5 B6 -64.47(9) . . . . ?
B8 B4 B5 B9 35.98(7) . . . . ?
B8 B4 B5 B10 -0.58(9) . . . . ?
B8 B4 B9 B5 -139.19(7) . . . . ?
B8 B4 B9 B10 -102.23(8) . . . . ?
B8 B4 B9 B12 -39.02(7) . . . . ?
B8 B7 B11 C2 97.91(7) . . . . ?
B8 B7 B11 B6 64.24(9) . . . . ?
B8 B7 B11 B10 0.35(9) . . . . ?
B8 B7 B11 B12 -36.17(7) . . . . ?
B8 B7 B12 B9 38.87(7) . . . . ?
B8 B7 B12 B10 102.25(8) . . . . ?
B8 B7 B12 B11 139.22(7) . . . . ?
B8 B9 B10 B5 -102.20(8) . . . . ?
B8 B9 B10 B6 -66.76(9) . . . . ?
B8 B9 B10 B11 -3.71(10) . . . . ?
B8 B9 B10 B12 34.51(7) . . . . ?
B8 B9 B12 B7 -39.60(7) . . . . ?
B8 B9 B12 B10 -142.01(8) . . . . ?
B8 B9 B12 B11 -103.61(8) . . . . ?
B9 B4 B5 C1 -134.09(7) . . . . ?
B9 B4 B5 B6 -100.45(8) . . . . ?
B9 B4 B5 B10 -36.56(7) . . . . ?
B9 B4 B8 Ru3 155.14(6) . . . . ?
B9 B4 B8 B7 100.50(7) . . . . ?
B9 B4 B8 B12 38.79(7) . . . . ?
B9 B5 B6 C1 -98.39(8) . . . . ?
B9 B5 B6 C2 -64.83(9) . . . . ?
B9 B5 B6 B10 35.61(7) . . . . ?
B9 B5 B6 B11 -4.13(10) . . . . ?
B9 B5 B10 B6 -140.44(8) . . . . ?
B9 B5 B10 B11 -101.54(8) . . . . ?
B9 B5 B10 B12 -38.83(7) . . . . ?
B9 B8 B12 B7 136.30(7) . . . . ?
B9 B8 B12 B10 34.33(7) . . . . ?
B9 B8 B12 B11 98.96(8) . . . . ?
B9 B10 B11 C2 -61.23(9) . . . . ?
B9 B10 B11 B6 -101.53(8) . . . . ?
B9 B10 B11 B7 2.03(10) . . . . ?
B9 B10 B11 B12 38.64(7) . . . . ?
B9 B10 B12 B7 -99.92(8) . . . . ?
B9 B10 B12 B8 -34.37(7) . . . . ?
B9 B10 B12 B11 -137.01(8) . . . . ?
C10 C1 C2 Ru3 99.86(7) . . . . ?
C10 C1 C2 B6 -102.81(8) . . . . ?
C10 C1 C2 B7 150.88(7) . . . . ?
C10 C1 C2 B11 -141.62(8) . . . . ?
C10 C1 C2 C21 1.45(11) . . . . ?
C10 C1 B4 Ru3 -94.92(8) . . . . ?
C10 C1 B4 B5 107.76(9) . . . . ?
C10 C1 B4 B8 -151.80(8) . . . . ?
C10 C1 B4 B9 146.91(8) . . . . ?
C10 C1 B5 B4 -114.98(8) . . . . ?
C10 C1 B5 B6 101.72(8) . . . . ?
C10 C1 B5 B9 -155.59(8) . . . . ?
C10 C1 B5 B10 141.86(8) . . . . ?
C10 C1 B6 C2 110.06(8) . . . . ?
C10 C1 B6 B5 -111.53(8) . . . . ?
C10 C1 B6 B10 -152.01(7) . . . . ?
C10 C1 B6 B11 145.46(7) . . . . ?
C10 C11 C12 C13 0.01(15) . . . . ?
C10 C15 C16 C17 -177.67(9) . . . . ?
C10 C15 C16 C21 1.06(13) . . . . ?
B10 B5 B6 C1 -134.01(7) . . . . ?
B10 B5 B6 C2 -100.44(8) . . . . ?
B10 B5 B6 B11 -39.74(7) . . . . ?
B10 B5 B9 B4 139.35(7) . . . . ?
B10 B5 B9 B8 101.94(8) . . . . ?
B10 B5 B9 B12 38.24(7) . . . . ?
B10 B6 B11 C2 -133.85(7) . . . . ?
B10 B6 B11 B7 -100.00(8) . . . . ?
B10 B6 B11 B12 -35.80(7) . . . . ?
B10 B9 B12 B7 102.41(8) . . . . ?
B10 B9 B12 B8 142.01(8) . . . . ?
B10 B9 B12 B11 38.40(7) . . . . ?
B10 B11 B12 B7 -139.26(8) . . . . ?
B10 B11 B12 B8 -101.61(8) . . . . ?
B10 B11 B12 B9 -38.11(7) . . . . ?
B11 C2 B6 C1 138.54(7) . . . . ?
B11 C2 B6 B5 103.12(8) . . . . ?
B11 C2 B6 B10 40.57(7) . . . . ?
B11 C2 B7 Ru3 -157.98(6) . . . . ?
B11 C2 B7 B8 -101.01(8) . . . . ?
B11 C2 B7 B12 -39.39(6) . . . . ?
B11 C2 C21 C16 139.97(8) . . . . ?
B11 C2 C21 C20 -41.97(12) . . . . ?
B11 B6 B10 B5 135.57(8) . . . . ?
B11 B6 B10 B9 100.14(8) . . . . ?
B11 B6 B10 B12 35.71(7) . . . . ?
B11 B7 B8 Ru3 -119.70(6) . . . . ?
B11 B7 B8 B4 -64.89(9) . . . . ?
B11 B7 B8 B9 -2.56(9) . . . . ?
B11 B7 B8 B12 36.07(7) . . . . ?
B11 B7 B12 B8 -139.22(7) . . . . ?
B11 B7 B12 B9 -100.35(8) . . . . ?
B11 B7 B12 B10 -36.97(7) . . . . ?
B11 B10 B12 B7 37.09(7) . . . . ?
B11 B10 B12 B8 102.65(8) . . . . ?
B11 B10 B12 B9 137.01(8) . . . . ?
C11 C10 C15 C14 0.43(13) . . . . ?
C11 C10 C15 C16 179.97(9) . . . . ?
C11 C12 C13 C14 0.42(16) . . . . ?
B12 B7 B8 Ru3 -155.78(6) . . . . ?
B12 B7 B8 B4 -100.96(8) . . . . ?
B12 B7 B8 B9 -38.63(7) . . . . ?
B12 B7 B11 C2 134.08(7) . . . . ?
B12 B7 B11 B6 100.41(8) . . . . ?
B12 B7 B11 B10 36.52(7) . . . . ?
B12 B8 B9 B4 -136.25(7) . . . . ?
B12 B8 B9 B5 -98.97(8) . . . . ?
B12 B8 B9 B10 -34.30(7) . . . . ?
B12 B9 B10 B5 -136.71(8) . . . . ?
B12 B9 B10 B6 -101.27(8) . . . . ?
B12 B9 B10 B11 -38.22(7) . . . . ?
B12 B10 B11 C2 -99.88(7) . . . . ?
B12 B10 B11 B6 -140.17(8) . . . . ?
B12 B10 B11 B7 -36.61(7) . . . . ?
C12 C13 C14 C15 -0.44(16) . . . . ?
C13 C14 C15 C10 0.00(14) . . . . ?
C13 C14 C15 C16 -179.53(9) . . . . ?
C14 C15 C16 C17 1.85(14) . . . . ?
C14 C15 C16 C21 -179.43(9) . . . . ?
C15 C10 C11 C12 -0.45(14) . . . . ?
C15 C16 C17 C18 178.77(9) . . . . ?
C15 C16 C21 C2 -1.02(13) . . . . ?
C15 C16 C21 C20 -179.05(8) . . . . ?
C16 C17 C18 C19 -0.15(15) . . . . ?
C17 C16 C21 C2 177.75(8) . . . . ?
C17 C16 C21 C20 -0.27(13) . . . . ?
C17 C18 C19 C20 0.60(15) . . . . ?
C18 C19 C20 C21 -0.89(15) . . . . ?
C19 C20 C21 C2 -177.34(9) . . . . ?
C19 C20 C21 C16 0.74(14) . . . . ?
C21 C2 B6 C1 -109.72(8) . . . . ?
C21 C2 B6 B5 -145.14(7) . . . . ?
C21 C2 B6 B10 152.31(7) . . . . ?
C21 C2 B6 B11 111.74(8) . . . . ?
C21 C2 B7 Ru3 93.47(8) . . . . ?
C21 C2 B7 B8 150.43(8) . . . . ?
C21 C2 B7 B11 -108.55(9) . . . . ?
C21 C2 B7 B12 -147.94(8) . . . . ?
C21 C2 B11 B6 -102.75(9) . . . . ?
C21 C2 B11 B7 114.15(9) . . . . ?
C21 C2 B11 B10 -143.05(8) . . . . ?
C21 C2 B11 B12 154.53(8) . . . . ?
C21 C16 C17 C18 -0.01(14) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.5920(3)
2 0.4080(3)

