# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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. 
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data_4976o
_database_code_depnum_ccdc_archive 'CCDC 1516776'
_audit_update_record             
;
2016-11-11 deposited with the CCDC.
2016-12-19 downloaded from the CCDC.
;
_audit_creation_date             2016-10-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_shelxl_version_number           2013-3
_chemical_name_common            ?
_chemical_formula_moiety         'C14 H30 B18 Co2, C2 H3 N'
_chemical_formula_sum            'C16 H33 B18 Co2 N'
_chemical_formula_weight         551.87
_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'
N N 0.0061 0.0033 '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           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   8.9085(6)
_cell_length_b                   13.5333(10)
_cell_length_c                   20.8343(16)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2511.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    874
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      15.70
_cell_measurement_theta_min      2.49
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.332
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5831
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'TWINABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.1202 before and 0.0853 after correction. The Ratio of minimum to maximum transmission is 0.7824. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0860
_diffrn_reflns_av_unetI/netI     0.1176
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            26419
_diffrn_reflns_point_group_measured_fraction_full 0.554
_diffrn_reflns_point_group_measured_fraction_max 0.568
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         25.761
_diffrn_reflns_theta_min         2.467
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.998
_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    0.000
_reflns_Friedel_fraction_max     0.000
_reflns_number_gt                2163
_reflns_number_total             2873
_reflns_special_details          
;
 _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    ?
_refine_diff_density_max         0.577
_refine_diff_density_min         -0.555
_refine_diff_density_rms         0.132
_refine_ls_abs_structure_details 
;
No quotients, so Flack parameter determined by classical intensity fit
;
_refine_ls_abs_structure_Flack   0.34(3)
_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     396
_refine_ls_number_reflns         2873
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0987
_refine_ls_R_factor_gt           0.0571
_refine_ls_restrained_S_all      1.032
_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)+(0.0256P)²+3.0532P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.1007
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.618(3) 0.382(3)
2. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Ternary CH refined with riding coordinates:
 C31(H31), C32(H32), C33(H33), C34(H34), C35(H35), C21'(H21'), C22'(H22'),
 C23'(H23'), C24'(H24'), C25'(H25')
3.b Idealised Me refined as rotating group:
 C1S(H1SA,H1SB,H1SC)
;
_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 -0.7648(9) -0.0326(5) -0.3186(4) 0.0164(19) Uani 1 1 d . . . . .
C2 C -0.7478(8) -0.1495(5) -0.3432(5) 0.0177(18) Uani 1 1 d . . . . .
H2 H -0.664(9) -0.192(5) -0.322(3) 0.021 Uiso 1 1 d R . . . .
Co3 Co -0.65605(12) -0.05408(8) -0.40875(5) 0.0151(3) Uani 1 1 d . . . . .
B4 B -0.8361(12) 0.0364(6) -0.3811(4) 0.018(2) Uani 1 1 d . . . . .
H4 H -0.814(9) 0.117(5) -0.386(3) 0.022 Uiso 1 1 d R . . . .
B5 B -0.9556(10) -0.0042(7) -0.3155(5) 0.018(2) Uani 1 1 d . . . . .
H5 H -1.005(8) 0.052(6) -0.280(3) 0.022 Uiso 1 1 d R . . . .
B6 B -0.8917(10) -0.1228(6) -0.2927(5) 0.017(2) Uani 1 1 d . . . . .
H6 H -0.898(9) -0.145(5) -0.246(3) 0.020 Uiso 1 1 d R . . . .
B7 B -0.8077(10) -0.1680(7) -0.4220(5) 0.020(2) Uani 1 1 d . . . . .
H7 H -0.754(9) -0.228(5) -0.449(4) 0.024 Uiso 1 1 d R . . . .
B8 B -0.8733(10) -0.0469(7) -0.4474(5) 0.021(2) Uani 1 1 d . . . . .
H8 H -0.873(8) -0.020(5) -0.498(3) 0.025 Uiso 1 1 d R . . . .
B9 B -1.0183(11) -0.0144(7) -0.3951(5) 0.019(2) Uani 1 1 d . . . . .
H9 H -1.082(8) 0.029(5) -0.409(4) 0.023 Uiso 1 1 d R . . . .
B10 B -1.0521(10) -0.1128(7) -0.3396(5) 0.018(2) Uani 1 1 d . . . . .
H10 H -1.161(9) -0.123(5) -0.320(3) 0.022 Uiso 1 1 d R . . . .
B11 B -0.9163(12) -0.2050(7) -0.3558(5) 0.022(2) Uani 1 1 d . . . . .
H11 H -0.925(9) -0.287(5) -0.340(4) 0.027 Uiso 1 1 d R . . . .
B12 B -1.0016(11) -0.1398(7) -0.4205(5) 0.022(2) Uani 1 1 d . . . . .
H12 H -1.088(9) -0.177(5) -0.454(3) 0.027 Uiso 1 1 d R . . . .
C31 C -0.5097(10) -0.1184(7) -0.4726(4) 0.030(2) Uani 1 1 d . . . . .
H31 H -0.5211 -0.1859 -0.4915 0.036 Uiso 1 1 calc R . . . .
C32 C -0.5720(10) -0.0307(7) -0.4983(4) 0.030(2) Uani 1 1 d . . . . .
H32 H -0.6318 -0.0254 -0.5388 0.036 Uiso 1 1 calc R . . . .
C33 C -0.5296(10) 0.0480(7) -0.4584(4) 0.030(2) Uani 1 1 d . . . . .
H33 H -0.5550 0.1193 -0.4650 0.036 Uiso 1 1 calc R . . . .
C34 C -0.4392(8) 0.0090(6) -0.4095(4) 0.0223(19) Uani 1 1 d . . . . .
H34 H -0.3931 0.0477 -0.3737 0.027 Uiso 1 1 calc R . . . .
C35 C -0.4268(10) -0.0957(6) -0.4184(4) 0.024(2) Uani 1 1 d . . . . .
H35 H -0.3702 -0.1432 -0.3906 0.029 Uiso 1 1 calc R . . . .
C1' C -0.6245(8) 0.0198(6) -0.1350(4) 0.019(2) Uani 1 1 d . . . . .
H1' H -0.651(8) -0.017(5) -0.087(3) 0.022 Uiso 1 1 d R . . . .
Co2' Co -0.41360(12) -0.01680(7) -0.15872(5) 0.0154(3) Uani 1 1 d . . . . .
B3' B -0.6108(11) -0.0603(7) -0.1984(5) 0.021(2) Uani 1 1 d . . . . .
H3' H -0.664(9) -0.136(5) -0.199(3) 0.025 Uiso 1 1 d R . . . .
B4' B -0.7657(10) 0.0230(7) -0.1894(5) 0.017(2) Uani 1 1 d . . . . .
H4' H -0.867(8) -0.003(5) -0.183(3) 0.021 Uiso 1 1 d R . . . .
B5' B -0.7004(10) 0.1315(6) -0.1532(6) 0.022(2) Uani 1 1 d . . . . .
H5' H -0.777(9) 0.166(6) -0.123(3) 0.026 Uiso 1 1 d R . . . .
B6' B -0.5027(11) 0.1210(7) -0.1402(5) 0.023(2) Uani 1 1 d . . . . .
H6' H -0.459(8) 0.162(5) -0.098(4) 0.027 Uiso 1 1 d R . . . .
B7' B -0.4812(11) -0.0037(7) -0.2529(5) 0.019(2) Uani 1 1 d . . . . .
H7' H -0.425(8) -0.050(5) -0.290(3) 0.023 Uiso 1 1 d R . . . .
C8' C -0.6746(9) 0.0121(6) -0.2620(3) 0.0135(18) Uani 1 1 d . . . . .
B9' B -0.7328(11) 0.1293(6) -0.2366(5) 0.017(2) Uani 1 1 d . . . . .
H9' H -0.830(9) 0.155(5) -0.260(3) 0.020 Uiso 1 1 d R . . . .
B10' B -0.5714(12) 0.1876(6) -0.2056(5) 0.020(2) Uani 1 1 d . . . . .
H10' H -0.565(9) 0.262(5) -0.214(3) 0.024 Uiso 1 1 d R . . . .
B11' B -0.4110(12) 0.1074(6) -0.2177(4) 0.018(2) Uani 1 1 d . . . . .
H11' H -0.276(9) 0.142(5) -0.234(3) 0.022 Uiso 1 1 d R . . . .
B12' B -0.5588(11) 0.1114(7) -0.2755(5) 0.021(2) Uani 1 1 d . . . . .
H12' H -0.543(8) 0.132(5) -0.327(4) 0.025 Uiso 1 1 d R . . . .
C21' C -0.2085(10) 0.0001(6) -0.1152(5) 0.032(3) Uani 1 1 d . . . . .
H21' H -0.1536 0.0635 -0.1077 0.039 Uiso 1 1 calc R . . . .
C22' C -0.3086(11) -0.0452(9) -0.0741(4) 0.050(3) Uani 1 1 d . . . . .
H22' H -0.3400 -0.0196 -0.0312 0.060 Uiso 1 1 calc R . . . .
C23' C -0.3553(11) -0.1335(8) -0.1014(7) 0.054(4) Uani 1 1 d . . . . .
H23' H -0.4262 -0.1820 -0.0817 0.065 Uiso 1 1 calc R . . . .
C24' C -0.2862(11) -0.1431(7) -0.1604(7) 0.048(3) Uani 1 1 d . . . . .
H24' H -0.2972 -0.1996 -0.1909 0.057 Uiso 1 1 calc R . . . .
C25' C -0.1980(10) -0.0607(9) -0.1689(5) 0.039(3) Uani 1 1 d . . . . .
H25' H -0.1337 -0.0475 -0.2073 0.047 Uiso 1 1 calc R . . . .
C1S C -0.9250(11) -0.2331(6) -0.0996(4) 0.035(2) Uani 1 1 d . . . . .
H1SA H -0.9197 -0.2797 -0.1355 0.052 Uiso 1 1 calc GR . . . .
H1SB H -0.9432 -0.1664 -0.1161 0.052 Uiso 1 1 calc GR . . . .
H1SC H -1.0072 -0.2521 -0.0708 0.052 Uiso 1 1 calc GR . . . .
C2S C -0.7850(12) -0.2347(6) -0.0646(5) 0.031(2) Uani 1 1 d . . . . .
N3S N -0.6747(10) -0.2355(6) -0.0355(4) 0.047(2) 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 1.670(10) . ?
C1 Co3 2.134(8) . ?
C1 B4 1.725(12) . ?
C1 B5 1.743(12) . ?
C1 B6 1.748(11) . ?
C1 C8' 1.549(10) . ?
C2 H2 1.04(8) . ?
C2 Co3 2.050(8) . ?
C2 B6 1.697(12) . ?
C2 B7 1.744(13) . ?
C2 B11 1.700(12) . ?
Co3 B4 2.098(9) . ?
Co3 B7 2.068(9) . ?
Co3 B8 2.099(9) . ?
Co3 C31 2.056(8) . ?
Co3 C32 2.036(8) . ?
Co3 C33 2.061(8) . ?
Co3 C34 2.112(7) . ?
Co3 C35 2.129(9) . ?
B4 H4 1.12(7) . ?
B4 B5 1.818(13) . ?
B4 B8 1.814(13) . ?
B4 B9 1.787(13) . ?
B5 H5 1.15(7) . ?
B5 B6 1.768(13) . ?
B5 B9 1.756(14) . ?
B5 B10 1.777(13) . ?
B6 H6 1.02(7) . ?
B6 B10 1.737(13) . ?
B6 B11 1.737(14) . ?
B7 H7 1.10(7) . ?
B7 B8 1.818(13) . ?
B7 B11 1.757(14) . ?
B7 B12 1.769(13) . ?
B8 H8 1.12(7) . ?
B8 B9 1.746(13) . ?
B8 B12 1.789(14) . ?
B9 H9 0.86(7) . ?
B9 B10 1.790(14) . ?
B9 B12 1.784(14) . ?
B10 H10 1.05(8) . ?
B10 B11 1.770(13) . ?
B10 B12 1.781(15) . ?
B11 H11 1.16(7) . ?
B11 B12 1.782(14) . ?
B12 H12 1.16(7) . ?
C31 H31 1.0000 . ?
C31 C32 1.415(12) . ?
C31 C35 1.384(12) . ?
C32 H32 1.0000 . ?
C32 C33 1.403(12) . ?
C33 H33 1.0000 . ?
C33 C34 1.403(11) . ?
C34 H34 1.0000 . ?
C34 C35 1.434(11) . ?
C35 H35 1.0000 . ?
C1' H1' 1.14(7) . ?
C1' Co2' 2.005(8) . ?
C1' B3' 1.714(12) . ?
C1' B4' 1.694(12) . ?
C1' B5' 1.698(11) . ?
C1' B6' 1.750(12) . ?
Co2' B3' 2.029(10) . ?
Co2' B6' 2.063(9) . ?
Co2' B7' 2.061(10) . ?
Co2' B11' 2.082(9) . ?
Co2' C21' 2.053(8) . ?
Co2' C22' 2.032(9) . ?
Co2' C23' 2.046(9) . ?
Co2' C24' 2.052(9) . ?
Co2' C25' 2.021(9) . ?
B3' H3' 1.13(7) . ?
B3' B4' 1.792(13) . ?
B3' B7' 1.792(14) . ?
B3' C8' 1.744(12) . ?
B4' H4' 0.98(7) . ?
B4' B5' 1.751(14) . ?
B4' C8' 1.723(12) . ?
B4' B9' 1.767(14) . ?
B5' H5' 1.04(8) . ?
B5' B6' 1.788(13) . ?
B5' B9' 1.762(15) . ?
B5' B10' 1.758(14) . ?
B6' H6' 1.12(8) . ?
B6' B10' 1.746(13) . ?
B6' B11' 1.820(14) . ?
B7' H7' 1.11(7) . ?
B7' C8' 1.746(12) . ?
B7' B11' 1.786(13) . ?
B7' B12' 1.768(13) . ?
C8' B9' 1.750(11) . ?
C8' B12' 1.717(12) . ?
B9' H9' 1.06(7) . ?
B9' B10' 1.762(14) . ?
B9' B12' 1.766(13) . ?
B10' H10' 1.03(7) . ?
B10' B11' 1.812(14) . ?
B10' B12' 1.788(14) . ?
B11' H11' 1.34(7) . ?
B11' B12' 1.785(14) . ?
B12' H12' 1.11(7) . ?
C21' H21' 1.0000 . ?
C21' C22' 1.379(13) . ?
C21' C25' 1.392(13) . ?
C22' H22' 1.0000 . ?
C22' C23' 1.387(15) . ?
C23' H23' 1.0000 . ?
C23' C24' 1.380(15) . ?
C24' H24' 1.0000 . ?
C24' C25' 1.375(13) . ?
C25' H25' 1.0000 . ?
C1S H1SA 0.9800 . ?
C1S H1SB 0.9800 . ?
C1S H1SC 0.9800 . ?
C1S C2S 1.444(13) . ?
C2S N3S 1.155(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 Co3 63.8(4) . . ?
C2 C1 B4 108.3(6) . . ?
C2 C1 B5 108.0(6) . . ?
C2 C1 B6 59.5(5) . . ?
B4 C1 Co3 64.9(4) . . ?
B4 C1 B5 63.2(6) . . ?
B4 C1 B6 111.9(6) . . ?
B5 C1 Co3 120.3(5) . . ?
B5 C1 B6 60.8(5) . . ?
B6 C1 Co3 118.0(5) . . ?
C8' C1 C2 123.8(6) . . ?
C8' C1 Co3 119.1(5) . . ?
C8' C1 B4 123.7(6) . . ?
C8' C1 B5 113.0(6) . . ?
C8' C1 B6 111.9(6) . . ?
C1 C2 H2 117(4) . . ?
C1 C2 Co3 69.2(4) . . ?
C1 C2 B6 62.6(5) . . ?
C1 C2 B7 113.4(6) . . ?
C1 C2 B11 112.7(6) . . ?
Co3 C2 H2 110(4) . . ?
B6 C2 H2 113(4) . . ?
B6 C2 Co3 125.5(5) . . ?
B6 C2 B7 112.5(6) . . ?
B6 C2 B11 61.5(5) . . ?
B7 C2 H2 123(4) . . ?
B7 C2 Co3 65.5(4) . . ?
B11 C2 H2 117(4) . . ?
B11 C2 Co3 121.9(6) . . ?
B11 C2 B7 61.4(5) . . ?
C2 Co3 C1 47.0(3) . . ?
C2 Co3 B4 83.1(3) . . ?
C2 Co3 B7 50.1(4) . . ?
C2 Co3 B8 85.3(4) . . ?
C2 Co3 C31 114.7(3) . . ?
C2 Co3 C33 167.1(4) . . ?
C2 Co3 C34 128.6(3) . . ?
C2 Co3 C35 106.2(3) . . ?
B4 Co3 C1 48.1(3) . . ?
B4 Co3 B8 51.2(4) . . ?
B4 Co3 C34 117.7(3) . . ?
B4 Co3 C35 156.1(3) . . ?
B7 Co3 C1 85.5(3) . . ?
B7 Co3 B4 88.4(4) . . ?
B7 Co3 B8 51.7(4) . . ?
B7 Co3 C34 153.9(3) . . ?
B7 Co3 C35 114.6(3) . . ?
B8 Co3 C1 85.0(3) . . ?
B8 Co3 C34 145.3(4) . . ?
B8 Co3 C35 149.4(3) . . ?
C31 Co3 C1 156.3(3) . . ?
C31 Co3 B4 155.4(4) . . ?
C31 Co3 B7 90.7(4) . . ?
C31 Co3 B8 110.8(4) . . ?
C31 Co3 C33 67.2(4) . . ?
C31 Co3 C34 65.6(3) . . ?
C31 Co3 C35 38.6(3) . . ?
C32 Co3 C1 162.4(3) . . ?
C32 Co3 C2 148.8(3) . . ?
C32 Co3 B4 116.2(4) . . ?
C32 Co3 B7 103.5(4) . . ?
C32 Co3 B8 88.8(4) . . ?
C32 Co3 C31 40.5(3) . . ?
C32 Co3 C33 40.0(3) . . ?
C32 Co3 C34 66.1(3) . . ?
C32 Co3 C35 66.5(3) . . ?
C33 Co3 C1 126.8(3) . . ?
C33 Co3 B4 99.4(3) . . ?
C33 Co3 B7 142.2(4) . . ?
C33 Co3 B8 106.3(4) . . ?
C33 Co3 C34 39.3(3) . . ?
C33 Co3 C35 66.8(3) . . ?
C34 Co3 C1 111.5(3) . . ?
C34 Co3 C35 39.5(3) . . ?
C35 Co3 C1 123.7(3) . . ?
C1 B4 Co3 67.0(4) . . ?
C1 B4 H4 123(4) . . ?
C1 B4 B5 58.9(5) . . ?
C1 B4 B8 107.8(6) . . ?
C1 B4 B9 104.4(6) . . ?
Co3 B4 H4 114(4) . . ?
B5 B4 Co3 118.5(5) . . ?
B5 B4 H4 118(4) . . ?
B8 B4 Co3 64.4(4) . . ?
B8 B4 H4 124(4) . . ?
B8 B4 B5 106.1(6) . . ?
B9 B4 Co3 115.2(5) . . ?
B9 B4 H4 121(4) . . ?
B9 B4 B5 58.3(5) . . ?
B9 B4 B8 58.0(5) . . ?
C1 B5 B4 57.9(5) . . ?
C1 B5 H5 123(4) . . ?
C1 B5 B6 59.7(5) . . ?
C1 B5 B9 104.9(6) . . ?
C1 B5 B10 106.2(6) . . ?
B4 B5 H5 121(4) . . ?
B6 B5 B4 106.7(6) . . ?
B6 B5 H5 123(4) . . ?
B6 B5 B10 58.7(5) . . ?
B9 B5 B4 59.9(5) . . ?
B9 B5 H5 123(4) . . ?
B9 B5 B6 106.6(7) . . ?
B9 B5 B10 60.9(6) . . ?
B10 B5 B4 108.7(7) . . ?
B10 B5 H5 123(4) . . ?
C1 B6 B5 59.4(5) . . ?
C1 B6 H6 123(4) . . ?
C2 B6 C1 58.0(4) . . ?
C2 B6 B5 105.7(7) . . ?
C2 B6 H6 125(4) . . ?
C2 B6 B10 106.8(7) . . ?
C2 B6 B11 59.3(5) . . ?
B5 B6 H6 121(4) . . ?
B10 B6 C1 107.7(7) . . ?
B10 B6 B5 60.9(5) . . ?
B10 B6 H6 121(5) . . ?
B11 B6 C1 107.2(7) . . ?
B11 B6 B5 109.7(7) . . ?
B11 B6 H6 121(4) . . ?
B11 B6 B10 61.3(6) . . ?
C2 B7 Co3 64.4(4) . . ?
C2 B7 H7 117(4) . . ?
C2 B7 B8 104.1(6) . . ?
C2 B7 B11 58.1(5) . . ?
C2 B7 B12 104.6(7) . . ?
Co3 B7 H7 110(4) . . ?
B8 B7 Co3 65.0(4) . . ?
B8 B7 H7 131(4) . . ?
B11 B7 Co3 117.9(6) . . ?
B11 B7 H7 115(4) . . ?
B11 B7 B8 108.0(6) . . ?
B11 B7 B12 60.7(6) . . ?
B12 B7 Co3 118.4(6) . . ?
B12 B7 H7 126(4) . . ?
B12 B7 B8 59.8(5) . . ?
Co3 B8 H8 112(4) . . ?
B4 B8 Co3 64.4(4) . . ?
B4 B8 B7 106.2(7) . . ?
B4 B8 H8 121(4) . . ?
B7 B8 Co3 63.3(4) . . ?
B7 B8 H8 125(4) . . ?
B9 B8 Co3 117.0(6) . . ?
B9 B8 B4 60.2(5) . . ?
B9 B8 B7 106.4(7) . . ?
B9 B8 H8 121(4) . . ?
B9 B8 B12 60.6(5) . . ?
B12 B8 Co3 115.9(6) . . ?
B12 B8 B4 108.3(7) . . ?
B12 B8 B7 58.7(5) . . ?
B12 B8 H8 122(4) . . ?
B4 B9 H9 113(5) . . ?
B4 B9 B10 109.5(7) . . ?
B5 B9 B4 61.8(5) . . ?
B5 B9 H9 118(5) . . ?
B5 B9 B10 60.1(5) . . ?
B5 B9 B12 109.2(7) . . ?
B8 B9 B4 61.8(5) . . ?
B8 B9 B5 112.0(7) . . ?
B8 B9 H9 117(5) . . ?
B8 B9 B10 109.9(7) . . ?
B8 B9 B12 60.9(6) . . ?
B10 B9 H9 127(5) . . ?
B12 B9 B4 109.8(7) . . ?
B12 B9 H9 126(5) . . ?
B12 B9 B10 59.8(6) . . ?
B5 B10 B9 59.0(5) . . ?
B5 B10 H10 116(4) . . ?
B5 B10 B12 108.4(7) . . ?
B6 B10 B5 60.4(5) . . ?
B6 B10 B9 106.4(6) . . ?
B6 B10 H10 122(4) . . ?
B6 B10 B11 59.4(5) . . ?
B6 B10 B12 108.0(6) . . ?
B9 B10 H10 120(4) . . ?
B11 B10 B5 107.9(6) . . ?
B11 B10 B9 106.7(7) . . ?
B11 B10 H10 127(4) . . ?
B11 B10 B12 60.2(6) . . ?
B12 B10 B9 59.9(6) . . ?
B12 B10 H10 124(4) . . ?
C2 B11 B6 59.2(5) . . ?
C2 B11 B7 60.6(6) . . ?
C2 B11 B10 105.2(6) . . ?
C2 B11 H11 116(4) . . ?
C2 B11 B12 105.9(7) . . ?
B6 B11 B7 109.9(7) . . ?
B6 B11 B10 59.4(5) . . ?
B6 B11 H11 114(4) . . ?
B6 B11 B12 108.0(7) . . ?
B7 B11 B10 108.9(7) . . ?
B7 B11 H11 122(4) . . ?
B7 B11 B12 60.0(5) . . ?
B10 B11 H11 125(4) . . ?
B10 B11 B12 60.2(6) . . ?
B12 B11 H11 131(4) . . ?
B7 B12 B8 61.5(5) . . ?
B7 B12 B9 106.9(7) . . ?
B7 B12 B10 107.9(7) . . ?
B7 B12 B11 59.3(6) . . ?
B7 B12 H12 123(4) . . ?
B8 B12 H12 123(4) . . ?
B9 B12 B8 58.5(5) . . ?
B9 B12 H12 123(4) . . ?
B10 B12 B8 108.3(7) . . ?
B10 B12 B9 60.3(5) . . ?
B10 B12 B11 59.6(5) . . ?
B10 B12 H12 119(4) . . ?
B11 B12 B8 108.3(7) . . ?
B11 B12 B9 106.4(7) . . ?
B11 B12 H12 122(4) . . ?
Co3 C31 H31 125.3 . . ?
C32 C31 Co3 69.0(5) . . ?
C32 C31 H31 125.3 . . ?
C35 C31 Co3 73.5(5) . . ?
C35 C31 H31 125.3 . . ?
C35 C31 C32 109.4(8) . . ?
Co3 C32 H32 126.0 . . ?
C31 C32 Co3 70.5(5) . . ?
C31 C32 H32 126.0 . . ?
C33 C32 Co3 71.0(5) . . ?
C33 C32 C31 107.9(8) . . ?
C33 C32 H32 126.0 . . ?
Co3 C33 H33 126.2 . . ?
C32 C33 Co3 69.0(5) . . ?
C32 C33 H33 126.2 . . ?
C32 C33 C34 107.4(8) . . ?
C34 C33 Co3 72.3(5) . . ?
C34 C33 H33 126.2 . . ?
Co3 C34 H34 125.6 . . ?
C33 C34 Co3 68.4(5) . . ?
C33 C34 H34 125.6 . . ?
C33 C34 C35 108.8(8) . . ?
C35 C34 Co3 70.9(5) . . ?
C35 C34 H34 125.6 . . ?
Co3 C35 H35 126.8 . . ?
C31 C35 Co3 67.9(5) . . ?
C31 C35 C34 106.5(8) . . ?
C31 C35 H35 126.8 . . ?
C34 C35 Co3 69.6(5) . . ?
C34 C35 H35 126.8 . . ?
Co2' C1' H1' 108(3) . . ?
B3' C1' H1' 115(3) . . ?
B3' C1' Co2' 65.6(4) . . ?
B3' C1' B6' 113.8(6) . . ?
B4' C1' H1' 116(4) . . ?
B4' C1' Co2' 122.5(5) . . ?
B4' C1' B3' 63.5(5) . . ?
B4' C1' B5' 62.1(6) . . ?
B4' C1' B6' 113.5(7) . . ?
B5' C1' H1' 120(3) . . ?
B5' C1' Co2' 122.5(5) . . ?
B5' C1' B3' 114.8(7) . . ?
B5' C1' B6' 62.4(5) . . ?
B6' C1' H1' 121(3) . . ?
B6' C1' Co2' 66.2(4) . . ?
C1' Co2' B3' 50.3(3) . . ?
C1' Co2' B6' 51.0(3) . . ?
C1' Co2' B7' 86.5(4) . . ?
C1' Co2' B11' 87.5(4) . . ?
C1' Co2' C21' 134.2(4) . . ?
C1' Co2' C22' 105.3(3) . . ?
C1' Co2' C23' 106.5(4) . . ?
C1' Co2' C24' 136.7(4) . . ?
C1' Co2' C25' 171.4(4) . . ?
B3' Co2' B6' 90.3(4) . . ?
B3' Co2' B7' 52.0(4) . . ?
B3' Co2' B11' 90.2(4) . . ?
B3' Co2' C21' 169.4(4) . . ?
B3' Co2' C22' 134.2(5) . . ?
B3' Co2' C23' 103.5(4) . . ?
B3' Co2' C24' 103.3(4) . . ?
B6' Co2' B11' 52.1(4) . . ?
B7' Co2' B6' 89.3(4) . . ?
B7' Co2' B11' 51.1(4) . . ?
C21' Co2' B6' 99.1(4) . . ?
C21' Co2' B7' 132.2(4) . . ?
C21' Co2' B11' 99.3(4) . . ?
C22' Co2' B6' 100.7(4) . . ?
C22' Co2' B7' 167.7(4) . . ?
C22' Co2' B11' 131.3(5) . . ?
C22' Co2' C21' 39.5(4) . . ?
C22' Co2' C23' 39.8(4) . . ?
C22' Co2' C24' 66.6(4) . . ?
C23' Co2' B6' 133.3(5) . . ?
C23' Co2' B7' 134.1(5) . . ?
C23' Co2' B11' 164.6(4) . . ?
C23' Co2' C21' 66.6(4) . . ?
C23' Co2' C24' 39.4(4) . . ?
C24' Co2' B6' 165.6(4) . . ?
C24' Co2' B7' 102.6(4) . . ?
C24' Co2' B11' 131.0(5) . . ?
C24' Co2' C21' 66.9(3) . . ?
C25' Co2' B3' 134.0(4) . . ?
C25' Co2' B6' 130.6(4) . . ?
C25' Co2' B7' 101.7(4) . . ?
C25' Co2' B11' 99.5(4) . . ?
C25' Co2' C21' 39.9(4) . . ?
C25' Co2' C22' 66.3(4) . . ?
C25' Co2' C23' 66.0(4) . . ?
C25' Co2' C24' 39.4(4) . . ?
C1' B3' Co2' 64.2(4) . . ?
C1' B3' H3' 123(4) . . ?
C1' B3' B4' 57.7(5) . . ?
C1' B3' B7' 105.3(7) . . ?
C1' B3' C8' 101.9(6) . . ?
Co2' B3' H3' 129(4) . . ?
B4' B3' Co2' 116.2(6) . . ?
B4' B3' H3' 104(4) . . ?
B7' B3' Co2' 65.0(5) . . ?
B7' B3' H3' 131(4) . . ?
B7' B3' B4' 107.1(7) . . ?
C8' B3' Co2' 115.4(6) . . ?
C8' B3' H3' 112(4) . . ?
C8' B3' B4' 58.3(5) . . ?
C8' B3' B7' 59.2(5) . . ?
C1' B4' B3' 58.8(5) . . ?
C1' B4' H4' 126(4) . . ?
C1' B4' B5' 59.1(5) . . ?
C1' B4' C8' 103.6(6) . . ?
C1' B4' B9' 105.6(7) . . ?
B3' B4' H4' 120(4) . . ?
B5' B4' B3' 108.4(6) . . ?
B5' B4' H4' 123(4) . . ?
B5' B4' B9' 60.1(6) . . ?
C8' B4' B3' 59.5(5) . . ?
C8' B4' H4' 122(4) . . ?
C8' B4' B5' 107.0(7) . . ?
C8' B4' B9' 60.2(5) . . ?
B9' B4' B3' 109.0(7) . . ?
B9' B4' H4' 121(4) . . ?
C1' B5' B4' 58.8(5) . . ?
C1' B5' H5' 122(4) . . ?
C1' B5' B6' 60.2(5) . . ?
C1' B5' B9' 105.7(7) . . ?
C1' B5' B10' 105.3(6) . . ?
B4' B5' H5' 115(4) . . ?
B4' B5' B6' 109.0(7) . . ?
B4' B5' B9' 60.4(6) . . ?
B4' B5' B10' 108.2(8) . . ?
B6' B5' H5' 126(4) . . ?
B9' B5' H5' 120(4) . . ?
B9' B5' B6' 108.0(8) . . ?
B10' B5' H5' 128(4) . . ?
B10' B5' B6' 59.0(6) . . ?
B10' B5' B9' 60.1(6) . . ?
C1' B6' Co2' 62.8(4) . . ?
C1' B6' B5' 57.4(5) . . ?
C1' B6' H6' 124(4) . . ?
C1' B6' B11' 104.7(6) . . ?
Co2' B6' H6' 118(4) . . ?
B5' B6' Co2' 115.0(6) . . ?
B5' B6' H6' 115(4) . . ?
B5' B6' B11' 108.4(8) . . ?
B10' B6' C1' 103.6(7) . . ?
B10' B6' Co2' 117.1(6) . . ?
B10' B6' B5' 59.7(6) . . ?
B10' B6' H6' 119(4) . . ?
B10' B6' B11' 61.1(6) . . ?
B11' B6' Co2' 64.5(4) . . ?
B11' B6' H6' 127(4) . . ?
Co2' B7' H7' 118(4) . . ?
B3' B7' Co2' 63.1(5) . . ?
B3' B7' H7' 119(4) . . ?
C8' B7' Co2' 113.7(6) . . ?
C8' B7' B3' 59.1(5) . . ?
C8' B7' H7' 116(4) . . ?
C8' B7' B11' 106.7(7) . . ?
C8' B7' B12' 58.5(5) . . ?
B11' B7' Co2' 65.1(4) . . ?
B11' B7' B3' 109.0(7) . . ?
B11' B7' H7' 127(4) . . ?
B12' B7' Co2' 116.3(6) . . ?
B12' B7' B3' 107.1(7) . . ?
B12' B7' H7' 120(4) . . ?
B12' B7' B11' 60.3(5) . . ?
C1 C8' B3' 121.8(6) . . ?
C1 C8' B4' 117.2(6) . . ?
C1 C8' B7' 123.1(7) . . ?
C1 C8' B9' 115.5(6) . . ?
C1 C8' B12' 119.5(6) . . ?
B3' C8' B7' 61.8(5) . . ?
B3' C8' B9' 112.1(6) . . ?
B4' C8' B3' 62.2(5) . . ?
B4' C8' B7' 112.3(6) . . ?
B4' C8' B9' 61.2(5) . . ?
B7' C8' B9' 111.7(6) . . ?
B12' C8' B3' 111.6(6) . . ?
B12' C8' B4' 111.1(6) . . ?
B12' C8' B7' 61.4(5) . . ?
B12' C8' B9' 61.2(5) . . ?
B4' B9' H9' 113(4) . . ?
B5' B9' B4' 59.5(5) . . ?
B5' B9' H9' 126(4) . . ?
B5' B9' B10' 59.9(5) . . ?
B5' B9' B12' 108.2(7) . . ?
C8' B9' B4' 58.7(5) . . ?
C8' B9' B5' 105.4(6) . . ?
C8' B9' H9' 114(4) . . ?
C8' B9' B10' 106.0(6) . . ?
C8' B9' B12' 58.5(5) . . ?
B10' B9' B4' 107.3(7) . . ?
B10' B9' H9' 134(4) . . ?
B10' B9' B12' 60.9(6) . . ?
B12' B9' B4' 106.8(6) . . ?
B12' B9' H9' 124(4) . . ?
B5' B10' B9' 60.0(6) . . ?
B5' B10' H10' 124(4) . . ?
B5' B10' B11' 110.0(6) . . ?
B5' B10' B12' 107.3(7) . . ?
B6' B10' B5' 61.4(5) . . ?
B6' B10' B9' 109.9(7) . . ?
B6' B10' H10' 128(4) . . ?
B6' B10' B11' 61.5(5) . . ?
B6' B10' B12' 108.4(7) . . ?
B9' B10' H10' 115(4) . . ?
B9' B10' B11' 108.9(6) . . ?
B9' B10' B12' 59.6(5) . . ?
B11' B10' H10' 122(5) . . ?
B12' B10' H10' 115(4) . . ?
B12' B10' B11' 59.4(5) . . ?
Co2' B11' H11' 116(3) . . ?
B6' B11' Co2' 63.4(4) . . ?
B6' B11' H11' 127(3) . . ?
B7' B11' Co2' 63.9(4) . . ?
B7' B11' B6' 107.0(7) . . ?
B7' B11' B10' 106.6(7) . . ?
B7' B11' H11' 120(3) . . ?
B10' B11' Co2' 113.1(6) . . ?
B10' B11' B6' 57.5(5) . . ?
B10' B11' H11' 122(3) . . ?
B12' B11' Co2' 114.5(6) . . ?
B12' B11' B6' 105.4(7) . . ?
B12' B11' B7' 59.3(5) . . ?
B12' B11' B10' 59.6(5) . . ?
B12' B11' H11' 119(3) . . ?
B7' B12' B10' 108.4(7) . . ?
B7' B12' B11' 60.4(5) . . ?
B7' B12' H12' 115(4) . . ?
C8' B12' B7' 60.1(5) . . ?
C8' B12' B9' 60.3(5) . . ?
C8' B12' B10' 106.3(7) . . ?
C8' B12' B11' 108.0(7) . . ?
C8' B12' H12' 115(4) . . ?
B9' B12' B7' 110.0(7) . . ?
B9' B12' B10' 59.5(5) . . ?
B9' B12' B11' 110.0(7) . . ?
B9' B12' H12' 121(4) . . ?
B10' B12' H12' 130(4) . . ?
B11' B12' B10' 61.0(5) . . ?
B11' B12' H12' 124(4) . . ?
Co2' C21' H21' 126.9 . . ?
C22' C21' Co2' 69.5(5) . . ?
C22' C21' H21' 126.9 . . ?
C22' C21' C25' 106.2(8) . . ?
C25' C21' Co2' 68.8(5) . . ?
C25' C21' H21' 126.9 . . ?
Co2' C22' H22' 125.6 . . ?
C21' C22' Co2' 71.1(5) . . ?
C21' C22' H22' 125.6 . . ?
C21' C22' C23' 108.8(9) . . ?
C23' C22' Co2' 70.7(6) . . ?
C23' C22' H22' 125.6 . . ?
Co2' C23' H23' 125.9 . . ?
C22' C23' Co2' 69.6(5) . . ?
C22' C23' H23' 125.9 . . ?
C24' C23' Co2' 70.5(5) . . ?
C24' C23' C22' 108.2(9) . . ?
C24' C23' H23' 125.9 . . ?
Co2' C24' H24' 126.5 . . ?
C23' C24' Co2' 70.1(5) . . ?
C23' C24' H24' 126.5 . . ?
C25' C24' Co2' 69.1(5) . . ?
C25' C24' C23' 107.1(9) . . ?
C25' C24' H24' 126.5 . . ?
Co2' C25' H25' 125.1 . . ?
C21' C25' Co2' 71.2(5) . . ?
C21' C25' H25' 125.1 . . ?
C24' C25' Co2' 71.5(5) . . ?
C24' C25' C21' 109.7(9) . . ?
C24' C25' H25' 125.1 . . ?
H1SA C1S H1SB 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
C2S C1S H1SA 109.5 . . ?
C2S C1S H1SB 109.5 . . ?
C2S C1S H1SC 109.5 . . ?
N3S C2S C1S 178.6(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 B6 B5 37.0(6) . . . . ?
C1 C2 B6 B10 100.7(7) . . . . ?
C1 C2 B6 B11 141.0(7) . . . . ?
C1 C2 B7 Co3 51.5(5) . . . . ?
C1 C2 B7 B8 -1.4(8) . . . . ?
C1 C2 B7 B11 -104.1(7) . . . . ?
C1 C2 B7 B12 -63.4(8) . . . . ?
C1 C2 B11 B6 -37.3(7) . . . . ?
C1 C2 B11 B7 105.2(7) . . . . ?
C1 C2 B11 B10 1.8(9) . . . . ?
C1 C2 B11 B12 64.5(9) . . . . ?
C1 B4 B5 B6 -35.9(6) . . . . ?
C1 B4 B5 B9 -135.6(7) . . . . ?
C1 B4 B5 B10 -97.8(7) . . . . ?
C1 B4 B8 Co3 -52.5(5) . . . . ?
C1 B4 B8 B7 -3.8(9) . . . . ?
C1 B4 B8 B9 96.2(7) . . . . ?
C1 B4 B8 B12 58.0(8) . . . . ?
C1 B4 B9 B5 38.2(6) . . . . ?
C1 B4 B9 B8 -102.3(7) . . . . ?
C1 B4 B9 B10 0.4(8) . . . . ?
C1 B4 B9 B12 -63.5(8) . . . . ?
C1 B5 B6 C2 -36.4(6) . . . . ?
C1 B5 B6 B10 -137.1(7) . . . . ?
C1 B5 B6 B11 -98.8(7) . . . . ?
C1 B5 B9 B4 -37.8(6) . . . . ?
C1 B5 B9 B8 -0.6(9) . . . . ?
C1 B5 B9 B10 100.5(7) . . . . ?
C1 B5 B9 B12 64.9(8) . . . . ?
C1 B5 B10 B6 37.7(6) . . . . ?
C1 B5 B10 B9 -98.4(7) . . . . ?
C1 B5 B10 B11 0.7(9) . . . . ?
C1 B5 B10 B12 -63.0(8) . . . . ?
C1 B6 B10 B5 -37.9(6) . . . . ?
C1 B6 B10 B9 0.3(8) . . . . ?
C1 B6 B10 B11 100.3(7) . . . . ?
C1 B6 B10 B12 63.4(8) . . . . ?
C1 B6 B11 C2 33.9(6) . . . . ?
C1 B6 B11 B7 -0.4(9) . . . . ?
C1 B6 B11 B10 -101.1(7) . . . . ?
C1 B6 B11 B12 -64.2(8) . . . . ?
C1 C8' B9' B4' 108.3(7) . . . . ?
C1 C8' B9' B5' 146.7(7) . . . . ?
C1 C8' B9' B10' -150.9(7) . . . . ?
C1 C8' B9' B12' -111.2(7) . . . . ?
C1 C8' B12' B7' -114.0(8) . . . . ?
C1 C8' B12' B9' 104.7(8) . . . . ?
C1 C8' B12' B10' 143.8(7) . . . . ?
C1 C8' B12' B11' -152.1(7) . . . . ?
C2 C1 B4 Co3 -48.1(5) . . . . ?
C2 C1 B4 B5 101.4(6) . . . . ?
C2 C1 B4 B8 3.0(9) . . . . ?
C2 C1 B4 B9 63.5(7) . . . . ?
C2 C1 B5 B4 -101.9(7) . . . . ?
C2 C1 B5 B6 37.6(6) . . . . ?
C2 C1 B5 B9 -63.1(8) . . . . ?
C2 C1 B5 B10 0.3(9) . . . . ?
C2 C1 B6 B5 -137.7(7) . . . . ?
C2 C1 B6 B10 -99.1(7) . . . . ?
C2 C1 B6 B11 -34.5(6) . . . . ?
C2 C1 C8' B3' -28.2(11) . . . . ?
C2 C1 C8' B4' -100.8(9) . . . . ?
C2 C1 C8' B7' 46.8(11) . . . . ?
C2 C1 C8' B9' -170.0(7) . . . . ?
C2 C1 C8' B12' 120.0(8) . . . . ?
C2 B6 B10 B5 -98.9(7) . . . . ?
C2 B6 B10 B9 -60.6(8) . . . . ?
C2 B6 B10 B11 39.4(6) . . . . ?
C2 B6 B10 B12 2.4(8) . . . . ?
C2 B6 B11 B7 -34.4(6) . . . . ?
C2 B6 B11 B10 -135.1(7) . . . . ?
C2 B6 B11 B12 -98.2(7) . . . . ?
C2 B7 B8 Co3 52.5(4) . . . . ?
C2 B7 B8 B4 3.1(8) . . . . ?
C2 B7 B8 B9 -59.9(7) . . . . ?
C2 B7 B8 B12 -98.9(7) . . . . ?
C2 B7 B11 B6 33.8(6) . . . . ?
C2 B7 B11 B10 97.2(7) . . . . ?
C2 B7 B11 B12 133.6(6) . . . . ?
C2 B7 B12 B8 98.1(6) . . . . ?
C2 B7 B12 B9 60.0(8) . . . . ?
C2 B7 B12 B10 -3.5(8) . . . . ?
C2 B7 B12 B11 -39.4(6) . . . . ?
C2 B11 B12 B7 41.0(6) . . . . ?
C2 B11 B12 B8 2.3(9) . . . . ?
C2 B11 B12 B9 -59.3(8) . . . . ?
C2 B11 B12 B10 -98.7(7) . . . . ?
Co3 C1 C2 B6 -153.8(5) . . . . ?
Co3 C1 C2 B7 -49.6(5) . . . . ?
Co3 C1 C2 B11 -117.0(7) . . . . ?
Co3 C1 B4 B5 149.5(5) . . . . ?
Co3 C1 B4 B8 51.0(5) . . . . ?
Co3 C1 B4 B9 111.6(5) . . . . ?
Co3 C1 B5 B4 -32.2(5) . . . . ?
Co3 C1 B5 B6 107.3(6) . . . . ?
Co3 C1 B5 B9 6.6(8) . . . . ?
Co3 C1 B5 B10 70.0(8) . . . . ?
Co3 C1 B6 C2 26.7(5) . . . . ?
Co3 C1 B6 B5 -111.0(6) . . . . ?
Co3 C1 B6 B10 -72.4(7) . . . . ?
Co3 C1 B6 B11 -7.8(8) . . . . ?
Co3 C1 C8' B3' -104.6(7) . . . . ?
Co3 C1 C8' B4' -177.3(5) . . . . ?
Co3 C1 C8' B7' -29.7(9) . . . . ?
Co3 C1 C8' B9' 113.5(6) . . . . ?
Co3 C1 C8' B12' 43.6(8) . . . . ?
Co3 C2 B6 C1 -30.4(6) . . . . ?
Co3 C2 B6 B5 6.6(9) . . . . ?
Co3 C2 B6 B10 70.3(8) . . . . ?
Co3 C2 B6 B11 110.6(7) . . . . ?
Co3 C2 B7 B8 -52.9(5) . . . . ?
Co3 C2 B7 B11 -155.5(5) . . . . ?
Co3 C2 B7 B12 -114.8(6) . . . . ?
Co3 C2 B11 B6 -116.1(6) . . . . ?
Co3 C2 B11 B7 26.3(6) . . . . ?
Co3 C2 B11 B10 -77.1(8) . . . . ?
Co3 C2 B11 B12 -14.3(8) . . . . ?
Co3 B4 B5 C1 32.2(5) . . . . ?
Co3 B4 B5 B6 -3.7(8) . . . . ?
Co3 B4 B5 B9 -103.5(6) . . . . ?
Co3 B4 B5 B10 -65.6(8) . . . . ?
Co3 B4 B8 B7 48.8(5) . . . . ?
Co3 B4 B8 B9 148.7(6) . . . . ?
Co3 B4 B8 B12 110.5(6) . . . . ?
Co3 B4 B9 B5 109.3(6) . . . . ?
Co3 B4 B9 B8 -31.2(6) . . . . ?
Co3 B4 B9 B10 71.5(8) . . . . ?
Co3 B4 B9 B12 7.6(9) . . . . ?
Co3 B7 B8 B4 -49.4(5) . . . . ?
Co3 B7 B8 B9 -112.4(6) . . . . ?
Co3 B7 B8 B12 -151.3(6) . . . . ?
Co3 B7 B11 C2 -25.0(5) . . . . ?
Co3 B7 B11 B6 8.8(9) . . . . ?
Co3 B7 B11 B10 72.2(8) . . . . ?
Co3 B7 B11 B12 108.6(7) . . . . ?
Co3 B7 B12 B8 29.6(6) . . . . ?
Co3 B7 B12 B9 -8.5(10) . . . . ?
Co3 B7 B12 B10 -72.0(9) . . . . ?
Co3 B7 B12 B11 -107.9(7) . . . . ?
Co3 B8 B9 B4 31.7(6) . . . . ?
Co3 B8 B9 B5 -5.5(10) . . . . ?
Co3 B8 B9 B10 -70.4(8) . . . . ?
Co3 B8 B9 B12 -105.9(7) . . . . ?
Co3 B8 B12 B7 -28.4(6) . . . . ?
Co3 B8 B12 B9 107.8(7) . . . . ?
Co3 B8 B12 B10 72.4(8) . . . . ?
Co3 B8 B12 B11 9.3(9) . . . . ?
Co3 C31 C32 C33 61.5(6) . . . . ?
Co3 C31 C35 C34 -59.2(6) . . . . ?
Co3 C32 C33 C34 62.5(6) . . . . ?
Co3 C33 C34 C35 59.5(6) . . . . ?
Co3 C34 C35 C31 58.1(6) . . . . ?
B4 C1 C2 Co3 48.6(5) . . . . ?
B4 C1 C2 B6 -105.2(7) . . . . ?
B4 C1 C2 B7 -1.0(8) . . . . ?
B4 C1 C2 B11 -68.3(9) . . . . ?
B4 C1 B5 B6 139.5(6) . . . . ?
B4 C1 B5 B9 38.8(6) . . . . ?
B4 C1 B5 B10 102.2(7) . . . . ?
B4 C1 B6 C2 99.0(7) . . . . ?
B4 C1 B6 B5 -38.7(6) . . . . ?
B4 C1 B6 B10 -0.1(8) . . . . ?
B4 C1 B6 B11 64.4(8) . . . . ?
B4 C1 C8' B3' 177.7(7) . . . . ?
B4 C1 C8' B4' 105.0(8) . . . . ?
B4 C1 C8' B7' -107.4(9) . . . . ?
B4 C1 C8' B9' 35.8(10) . . . . ?
B4 C1 C8' B12' -34.1(11) . . . . ?
B4 B5 B6 C1 35.1(6) . . . . ?
B4 B5 B6 C2 -1.3(8) . . . . ?
B4 B5 B6 B10 -102.1(7) . . . . ?
B4 B5 B6 B11 -63.7(8) . . . . ?
B4 B5 B9 B8 37.2(7) . . . . ?
B4 B5 B9 B10 138.3(6) . . . . ?
B4 B5 B9 B12 102.7(7) . . . . ?
B4 B5 B10 B6 98.6(7) . . . . ?
B4 B5 B10 B9 -37.5(6) . . . . ?
B4 B5 B10 B11 61.6(8) . . . . ?
B4 B5 B10 B12 -2.1(8) . . . . ?
B4 B8 B9 B5 -37.2(7) . . . . ?
B4 B8 B9 B10 -102.1(7) . . . . ?
B4 B8 B9 B12 -137.7(7) . . . . ?
B4 B8 B12 B7 -98.2(7) . . . . ?
B4 B8 B12 B9 38.0(6) . . . . ?
B4 B8 B12 B10 2.7(9) . . . . ?
B4 B8 B12 B11 -60.5(8) . . . . ?
B4 B9 B10 B5 38.5(6) . . . . ?
B4 B9 B10 B6 -0.5(9) . . . . ?
B4 B9 B10 B11 -62.7(8) . . . . ?
B4 B9 B10 B12 -102.1(7) . . . . ?
B4 B9 B12 B7 0.3(10) . . . . ?
B4 B9 B12 B8 -39.1(7) . . . . ?
B4 B9 B12 B10 101.6(7) . . . . ?
B4 B9 B12 B11 62.6(9) . . . . ?
B5 C1 C2 Co3 115.6(6) . . . . ?
B5 C1 C2 B6 -38.2(7) . . . . ?
B5 C1 C2 B7 66.0(8) . . . . ?
B5 C1 C2 B11 -1.3(9) . . . . ?
B5 C1 B4 Co3 -149.5(5) . . . . ?
B5 C1 B4 B8 -98.4(7) . . . . ?
B5 C1 B4 B9 -37.9(6) . . . . ?
B5 C1 B6 C2 137.7(7) . . . . ?
B5 C1 B6 B10 38.6(6) . . . . ?
B5 C1 B6 B11 103.2(8) . . . . ?
B5 C1 C8' B3' 105.4(8) . . . . ?
B5 C1 C8' B4' 32.7(9) . . . . ?
B5 C1 C8' B7' -179.7(7) . . . . ?
B5 C1 C8' B9' -36.4(9) . . . . ?
B5 C1 C8' B12' -106.4(8) . . . . ?
B5 B4 B8 Co3 -114.4(6) . . . . ?
B5 B4 B8 B7 -65.6(7) . . . . ?
B5 B4 B8 B9 34.3(6) . . . . ?
B5 B4 B8 B12 -3.8(8) . . . . ?
B5 B4 B9 B8 -140.4(7) . . . . ?
B5 B4 B9 B10 -37.8(6) . . . . ?
B5 B4 B9 B12 -101.7(8) . . . . ?
B5 B6 B10 B9 38.3(6) . . . . ?
B5 B6 B10 B11 138.3(7) . . . . ?
B5 B6 B10 B12 101.3(7) . . . . ?
B5 B6 B11 C2 96.9(7) . . . . ?
B5 B6 B11 B7 62.5(8) . . . . ?
B5 B6 B11 B10 -38.2(6) . . . . ?
B5 B6 B11 B12 -1.2(9) . . . . ?
B5 B9 B10 B6 -39.0(6) . . . . ?
B5 B9 B10 B11 -101.2(7) . . . . ?
B5 B9 B10 B12 -140.6(7) . . . . ?
B5 B9 B12 B7 -65.6(9) . . . . ?
B5 B9 B12 B8 -105.1(7) . . . . ?
B5 B9 B12 B10 35.7(6) . . . . ?
B5 B9 B12 B11 -3.4(9) . . . . ?
B5 B10 B11 C2 -1.5(9) . . . . ?
B5 B10 B11 B6 37.5(7) . . . . ?
B5 B10 B11 B7 -65.0(9) . . . . ?
B5 B10 B11 B12 -101.3(8) . . . . ?
B5 B10 B12 B7 64.7(8) . . . . ?
B5 B10 B12 B8 -0.3(9) . . . . ?
B5 B10 B12 B9 -35.0(6) . . . . ?
B5 B10 B12 B11 100.5(7) . . . . ?
B6 C1 C2 Co3 153.8(5) . . . . ?
B6 C1 C2 B7 104.2(7) . . . . ?
B6 C1 C2 B11 36.8(7) . . . . ?
B6 C1 B4 Co3 -111.8(5) . . . . ?
B6 C1 B4 B5 37.7(6) . . . . ?
B6 C1 B4 B8 -60.7(8) . . . . ?
B6 C1 B4 B9 -0.2(8) . . . . ?
B6 C1 B5 B4 -139.5(6) . . . . ?
B6 C1 B5 B9 -100.7(7) . . . . ?
B6 C1 B5 B10 -37.3(6) . . . . ?
B6 C1 C8' B3' 38.9(10) . . . . ?
B6 C1 C8' B4' -33.7(8) . . . . ?
B6 C1 C8' B7' 113.9(8) . . . . ?
B6 C1 C8' B9' -102.9(7) . . . . ?
B6 C1 C8' B12' -172.9(6) . . . . ?
B6 C2 B7 Co3 120.1(6) . . . . ?
B6 C2 B7 B8 67.2(7) . . . . ?
B6 C2 B7 B11 -35.4(6) . . . . ?
B6 C2 B7 B12 5.3(8) . . . . ?
B6 C2 B11 B7 142.4(7) . . . . ?
B6 C2 B11 B10 39.0(6) . . . . ?
B6 C2 B11 B12 101.8(7) . . . . ?
B6 B5 B9 B4 -100.1(6) . . . . ?
B6 B5 B9 B8 -62.8(8) . . . . ?
B6 B5 B9 B10 38.2(6) . . . . ?
B6 B5 B9 B12 2.7(8) . . . . ?
B6 B5 B10 B9 -136.1(7) . . . . ?
B6 B5 B10 B11 -37.0(7) . . . . ?
B6 B5 B10 B12 -100.7(7) . . . . ?
B6 B10 B11 C2 -38.9(6) . . . . ?
B6 B10 B11 B7 -102.5(7) . . . . ?
B6 B10 B11 B12 -138.8(7) . . . . ?
B6 B10 B12 B7 0.8(9) . . . . ?
B6 B10 B12 B8 -64.3(8) . . . . ?
B6 B10 B12 B9 -98.9(7) . . . . ?
B6 B10 B12 B11 36.6(6) . . . . ?
B6 B11 B12 B7 103.1(7) . . . . ?
B6 B11 B12 B8 64.4(8) . . . . ?
B6 B11 B12 B9 2.8(9) . . . . ?
B6 B11 B12 B10 -36.6(6) . . . . ?
B7 C2 B6 C1 -105.6(7) . . . . ?
B7 C2 B6 B5 -68.6(7) . . . . ?
B7 C2 B6 B10 -4.9(8) . . . . ?
B7 C2 B6 B11 35.4(6) . . . . ?
B7 C2 B11 B6 -142.4(7) . . . . ?
B7 C2 B11 B10 -103.4(7) . . . . ?
B7 C2 B11 B12 -40.7(6) . . . . ?
B7 B8 B9 B4 99.6(7) . . . . ?
B7 B8 B9 B5 62.4(9) . . . . ?
B7 B8 B9 B10 -2.5(9) . . . . ?
B7 B8 B9 B12 -38.1(6) . . . . ?
B7 B8 B12 B9 136.2(8) . . . . ?
B7 B8 B12 B10 100.8(8) . . . . ?
B7 B8 B12 B11 37.7(6) . . . . ?
B7 B11 B12 B8 -38.7(6) . . . . ?
B7 B11 B12 B9 -100.3(7) . . . . ?
B7 B11 B12 B10 -139.7(7) . . . . ?
B8 B4 B5 C1 101.4(6) . . . . ?
B8 B4 B5 B6 65.6(8) . . . . ?
B8 B4 B5 B9 -34.2(6) . . . . ?
B8 B4 B5 B10 3.6(8) . . . . ?
B8 B4 B9 B5 140.4(7) . . . . ?
B8 B4 B9 B10 102.7(8) . . . . ?
B8 B4 B9 B12 38.7(7) . . . . ?
B8 B7 B11 C2 -95.7(7) . . . . ?
B8 B7 B11 B6 -61.9(9) . . . . ?
B8 B7 B11 B10 1.5(9) . . . . ?
B8 B7 B11 B12 37.9(6) . . . . ?
B8 B7 B12 B9 -38.1(7) . . . . ?
B8 B7 B12 B10 -101.6(7) . . . . ?
B8 B7 B12 B11 -137.5(7) . . . . ?
B8 B9 B10 B5 104.6(7) . . . . ?
B8 B9 B10 B6 65.6(8) . . . . ?
B8 B9 B10 B11 3.4(9) . . . . ?
B8 B9 B10 B12 -36.0(6) . . . . ?
B8 B9 B12 B7 39.5(7) . . . . ?
B8 B9 B12 B10 140.7(7) . . . . ?
B8 B9 B12 B11 101.7(7) . . . . ?
B9 B4 B5 C1 135.6(7) . . . . ?
B9 B4 B5 B6 99.8(7) . . . . ?
B9 B4 B5 B10 37.9(6) . . . . ?
B9 B4 B8 Co3 -148.7(6) . . . . ?
B9 B4 B8 B7 -99.9(7) . . . . ?
B9 B4 B8 B12 -38.2(6) . . . . ?
B9 B5 B6 C1 97.9(6) . . . . ?
B9 B5 B6 C2 61.6(8) . . . . ?
B9 B5 B6 B10 -39.2(6) . . . . ?
B9 B5 B6 B11 -0.9(8) . . . . ?
B9 B5 B10 B6 136.1(7) . . . . ?
B9 B5 B10 B11 99.1(8) . . . . ?
B9 B5 B10 B12 35.4(6) . . . . ?
B9 B8 B12 B7 -136.2(8) . . . . ?
B9 B8 B12 B10 -35.4(6) . . . . ?
B9 B8 B12 B11 -98.5(7) . . . . ?
B9 B10 B11 C2 60.6(8) . . . . ?
B9 B10 B11 B6 99.5(7) . . . . ?
B9 B10 B11 B7 -3.0(9) . . . . ?
B9 B10 B11 B12 -39.3(6) . . . . ?
B9 B10 B12 B7 99.7(7) . . . . ?
B9 B10 B12 B8 34.6(6) . . . . ?
B9 B10 B12 B11 135.5(7) . . . . ?
B10 B5 B6 C1 137.1(7) . . . . ?
B10 B5 B6 C2 100.8(7) . . . . ?
B10 B5 B6 B11 38.3(7) . . . . ?
B10 B5 B9 B4 -138.3(6) . . . . ?
B10 B5 B9 B8 -101.0(8) . . . . ?
B10 B5 B9 B12 -35.5(6) . . . . ?
B10 B6 B11 C2 135.1(7) . . . . ?
B10 B6 B11 B7 100.7(7) . . . . ?
B10 B6 B11 B12 36.9(6) . . . . ?
B10 B9 B12 B7 -101.3(8) . . . . ?
B10 B9 B12 B8 -140.7(7) . . . . ?
B10 B9 B12 B11 -39.1(6) . . . . ?
B10 B11 B12 B7 139.7(7) . . . . ?
B10 B11 B12 B8 101.0(7) . . . . ?
B10 B11 B12 B9 39.4(6) . . . . ?
B11 C2 B6 C1 -141.0(7) . . . . ?
B11 C2 B6 B5 -104.0(7) . . . . ?
B11 C2 B6 B10 -40.3(6) . . . . ?
B11 C2 B7 Co3 155.5(5) . . . . ?
B11 C2 B7 B8 102.7(7) . . . . ?
B11 C2 B7 B12 40.7(6) . . . . ?
B11 B6 B10 B5 -138.3(7) . . . . ?
B11 B6 B10 B9 -100.0(7) . . . . ?
B11 B6 B10 B12 -36.9(6) . . . . ?
B11 B7 B8 Co3 113.1(6) . . . . ?
B11 B7 B8 B4 63.6(8) . . . . ?
B11 B7 B8 B9 0.6(9) . . . . ?
B11 B7 B8 B12 -38.3(6) . . . . ?
B11 B7 B12 B8 137.5(7) . . . . ?
B11 B7 B12 B9 99.4(8) . . . . ?
B11 B7 B12 B10 35.9(6) . . . . ?
B11 B10 B12 B7 -35.8(6) . . . . ?
B11 B10 B12 B8 -100.9(7) . . . . ?
B11 B10 B12 B9 -135.5(7) . . . . ?
B12 B7 B8 Co3 151.3(6) . . . . ?
B12 B7 B8 B4 101.9(7) . . . . ?
B12 B7 B8 B9 38.9(7) . . . . ?
B12 B7 B11 C2 -133.6(6) . . . . ?
B12 B7 B11 B6 -99.8(8) . . . . ?
B12 B7 B11 B10 -36.4(7) . . . . ?
B12 B8 B9 B4 137.7(7) . . . . ?
B12 B8 B9 B5 100.4(8) . . . . ?
B12 B8 B9 B10 35.6(7) . . . . ?
B12 B9 B10 B5 140.6(7) . . . . ?
B12 B9 B10 B6 101.6(7) . . . . ?
B12 B9 B10 B11 39.4(6) . . . . ?
B12 B10 B11 C2 99.9(7) . . . . ?
B12 B10 B11 B6 138.8(7) . . . . ?
B12 B10 B11 B7 36.3(6) . . . . ?
C31 C32 C33 Co3 -61.2(6) . . . . ?
C31 C32 C33 C34 1.3(10) . . . . ?
C32 C31 C35 Co3 60.0(6) . . . . ?
C32 C31 C35 C34 0.8(10) . . . . ?
C32 C33 C34 Co3 -60.4(6) . . . . ?
C32 C33 C34 C35 -0.8(10) . . . . ?
C33 C34 C35 Co3 -58.0(6) . . . . ?
C33 C34 C35 C31 0.0(10) . . . . ?
C35 C31 C32 Co3 -62.8(6) . . . . ?
C35 C31 C32 C33 -1.3(10) . . . . ?
C1' B3' B4' B5' 33.3(7) . . . . ?
C1' B3' B4' C8' 132.6(7) . . . . ?
C1' B3' B4' B9' 97.2(7) . . . . ?
C1' B3' B7' Co2' 51.2(5) . . . . ?
C1' B3' B7' C8' -94.9(7) . . . . ?
C1' B3' B7' B11' 3.5(8) . . . . ?
C1' B3' B7' B12' -60.2(8) . . . . ?
C1' B3' C8' C1 -145.8(7) . . . . ?
C1' B3' C8' B4' -39.5(6) . . . . ?
C1' B3' C8' B7' 100.9(7) . . . . ?
C1' B3' C8' B9' -2.8(9) . . . . ?
C1' B3' C8' B12' 63.8(8) . . . . ?
C1' B4' B5' B6' 34.6(7) . . . . ?
C1' B4' B5' B9' 135.0(7) . . . . ?
C1' B4' B5' B10' 97.2(7) . . . . ?
C1' B4' C8' C1 153.9(6) . . . . ?
C1' B4' C8' B3' 40.4(6) . . . . ?
C1' B4' C8' B7' 2.9(8) . . . . ?
C1' B4' C8' B9' -100.4(7) . . . . ?
C1' B4' C8' B12' -63.7(8) . . . . ?
C1' B4' B9' B5' -39.0(6) . . . . ?
C1' B4' B9' C8' 97.0(6) . . . . ?
C1' B4' B9' B10' -1.5(8) . . . . ?
C1' B4' B9' B12' 62.5(8) . . . . ?
C1' B5' B6' Co2' 26.2(6) . . . . ?
C1' B5' B6' B10' 134.3(7) . . . . ?
C1' B5' B6' B11' 96.0(7) . . . . ?
C1' B5' B9' B4' 38.9(6) . . . . ?
C1' B5' B9' C8' 1.0(8) . . . . ?
C1' B5' B9' B10' -98.9(7) . . . . ?
C1' B5' B9' B12' -60.3(8) . . . . ?
C1' B5' B10' B6' -40.1(6) . . . . ?
C1' B5' B10' B9' 99.6(7) . . . . ?
C1' B5' B10' B11' -1.2(9) . . . . ?
C1' B5' B10' B12' 61.8(8) . . . . ?
C1' B6' B10' B5' 38.3(6) . . . . ?
C1' B6' B10' B9' 1.7(9) . . . . ?
C1' B6' B10' B11' -99.5(7) . . . . ?
C1' B6' B10' B12' -61.8(8) . . . . ?
C1' B6' B11' Co2' -49.6(5) . . . . ?
C1' B6' B11' B7' -1.5(8) . . . . ?
C1' B6' B11' B10' 97.6(7) . . . . ?
C1' B6' B11' B12' 60.5(7) . . . . ?
Co2' C1' B3' B4' -152.4(6) . . . . ?
Co2' C1' B3' B7' -51.6(5) . . . . ?
Co2' C1' B3' C8' -112.6(6) . . . . ?
Co2' C1' B4' B3' 30.0(6) . . . . ?
Co2' C1' B4' B5' -112.6(7) . . . . ?
Co2' C1' B4' C8' -10.7(9) . . . . ?
Co2' C1' B4' B9' -73.1(8) . . . . ?
Co2' C1' B5' B4' 112.5(7) . . . . ?
Co2' C1' B5' B6' -29.3(7) . . . . ?
Co2' C1' B5' B9' 72.8(7) . . . . ?
Co2' C1' B5' B10' 10.2(9) . . . . ?
Co2' C1' B6' B5' 153.2(7) . . . . ?
Co2' C1' B6' B10' 113.8(6) . . . . ?
Co2' C1' B6' B11' 50.6(5) . . . . ?
Co2' B3' B4' C1' -27.7(6) . . . . ?
Co2' B3' B4' B5' 5.6(9) . . . . ?
Co2' B3' B4' C8' 104.9(7) . . . . ?
Co2' B3' B4' B9' 69.5(8) . . . . ?
Co2' B3' B7' C8' -146.1(6) . . . . ?
Co2' B3' B7' B11' -47.6(5) . . . . ?
Co2' B3' B7' B12' -111.4(6) . . . . ?
Co2' B3' C8' C1 147.4(6) . . . . ?
Co2' B3' C8' B4' -106.4(7) . . . . ?
Co2' B3' C8' B7' 34.0(6) . . . . ?
Co2' B3' C8' B9' -69.6(8) . . . . ?
Co2' B3' C8' B12' -3.1(9) . . . . ?
Co2' B6' B10' B5' 104.5(7) . . . . ?
Co2' B6' B10' B9' 67.9(9) . . . . ?
Co2' B6' B10' B11' -33.3(6) . . . . ?
Co2' B6' B10' B12' 4.4(10) . . . . ?
Co2' B6' B11' B7' 48.0(5) . . . . ?
Co2' B6' B11' B10' 147.2(6) . . . . ?
Co2' B6' B11' B12' 110.1(6) . . . . ?
Co2' B7' C8' C1 -144.3(6) . . . . ?
Co2' B7' C8' B3' -32.9(6) . . . . ?
Co2' B7' C8' B4' 4.7(8) . . . . ?
Co2' B7' C8' B9' 71.3(7) . . . . ?
Co2' B7' C8' B12' 107.4(7) . . . . ?
Co2' B7' B11' B6' -47.8(5) . . . . ?
Co2' B7' B11' B10' -108.1(6) . . . . ?
Co2' B7' B11' B12' -145.9(6) . . . . ?
Co2' B7' B12' C8' -102.9(7) . . . . ?
Co2' B7' B12' B9' -67.6(8) . . . . ?
Co2' B7' B12' B10' -4.3(9) . . . . ?
Co2' B7' B12' B11' 34.6(6) . . . . ?
Co2' B11' B12' B7' -33.6(6) . . . . ?
Co2' B11' B12' C8' 4.5(8) . . . . ?
Co2' B11' B12' B9' 68.6(7) . . . . ?
Co2' B11' B12' B10' 103.5(7) . . . . ?
Co2' C21' C22' C23' 60.9(6) . . . . ?
Co2' C21' C25' C24' -61.4(6) . . . . ?
Co2' C22' C23' C24' 60.2(7) . . . . ?
Co2' C23' C24' C25' 59.5(6) . . . . ?
Co2' C24' C25' C21' 61.3(7) . . . . ?
B3' C1' B4' B5' -142.6(7) . . . . ?
B3' C1' B4' C8' -40.7(6) . . . . ?
B3' C1' B4' B9' -103.1(7) . . . . ?
B3' C1' B5' B4' 36.8(7) . . . . ?
B3' C1' B5' B6' -105.0(8) . . . . ?
B3' C1' B5' B9' -2.9(9) . . . . ?
B3' C1' B5' B10' -65.5(8) . . . . ?
B3' C1' B6' Co2' -46.6(6) . . . . ?
B3' C1' B6' B5' 106.7(8) . . . . ?
B3' C1' B6' B10' 67.2(8) . . . . ?
B3' C1' B6' B11' 4.0(9) . . . . ?
B3' B4' B5' C1' -33.2(6) . . . . ?
B3' B4' B5' B6' 1.4(10) . . . . ?
B3' B4' B5' B9' 101.8(7) . . . . ?
B3' B4' B5' B10' 64.0(8) . . . . ?
B3' B4' C8' C1 113.6(7) . . . . ?
B3' B4' C8' B7' -37.4(7) . . . . ?
B3' B4' C8' B9' -140.8(7) . . . . ?
B3' B4' C8' B12' -104.0(7) . . . . ?
B3' B4' B9' B5' -100.8(7) . . . . ?
B3' B4' B9' C8' 35.2(6) . . . . ?
B3' B4' B9' B10' -63.3(8) . . . . ?
B3' B4' B9' B12' 0.7(9) . . . . ?
B3' B7' C8' C1 -111.4(8) . . . . ?
B3' B7' C8' B4' 37.6(6) . . . . ?
B3' B7' C8' B9' 104.2(7) . . . . ?
B3' B7' C8' B12' 140.3(7) . . . . ?
B3' B7' B11' Co2' 46.6(5) . . . . ?
B3' B7' B11' B6' -1.2(9) . . . . ?
B3' B7' B11' B10' -61.5(8) . . . . ?
B3' B7' B11' B12' -99.3(7) . . . . ?
B3' B7' B12' C8' -35.0(6) . . . . ?
B3' B7' B12' B9' 0.3(9) . . . . ?
B3' B7' B12' B10' 63.6(9) . . . . ?
B3' B7' B12' B11' 102.5(8) . . . . ?
B3' C8' B9' B4' -37.2(7) . . . . ?
B3' C8' B9' B5' 1.2(9) . . . . ?
B3' C8' B9' B10' 63.6(8) . . . . ?
B3' C8' B9' B12' 103.3(7) . . . . ?
B3' C8' B12' B7' 37.3(7) . . . . ?
B3' C8' B12' B9' -104.1(7) . . . . ?
B3' C8' B12' B10' -65.0(8) . . . . ?
B3' C8' B12' B11' -0.9(9) . . . . ?
B4' C1' B3' Co2' 152.4(6) . . . . ?
B4' C1' B3' B7' 100.8(7) . . . . ?
B4' C1' B3' C8' 39.8(6) . . . . ?
B4' C1' B5' B6' -141.8(8) . . . . ?
B4' C1' B5' B9' -39.7(6) . . . . ?
B4' C1' B5' B10' -102.3(8) . . . . ?
B4' C1' B6' Co2' -116.6(6) . . . . ?
B4' C1' B6' B5' 36.6(8) . . . . ?
B4' C1' B6' B10' -2.9(9) . . . . ?
B4' C1' B6' B11' -66.0(8) . . . . ?
B4' B3' B7' Co2' 111.5(6) . . . . ?
B4' B3' B7' C8' -34.6(6) . . . . ?
B4' B3' B7' B11' 63.9(8) . . . . ?
B4' B3' B7' B12' 0.1(9) . . . . ?
B4' B3' C8' C1 -106.3(8) . . . . ?
B4' B3' C8' B7' 140.4(7) . . . . ?
B4' B3' C8' B9' 36.7(7) . . . . ?
B4' B3' C8' B12' 103.3(7) . . . . ?
B4' B5' B6' C1' -34.0(7) . . . . ?
B4' B5' B6' Co2' -7.8(11) . . . . ?
B4' B5' B6' B10' 100.2(8) . . . . ?
B4' B5' B6' B11' 62.0(9) . . . . ?
B4' B5' B9' C8' -38.0(6) . . . . ?
B4' B5' B9' B10' -137.8(7) . . . . ?
B4' B5' B9' B12' -99.2(7) . . . . ?
B4' B5' B10' B6' -101.7(7) . . . . ?
B4' B5' B10' B9' 38.0(6) . . . . ?
B4' B5' B10' B11' -62.8(8) . . . . ?
B4' B5' B10' B12' 0.2(9) . . . . ?
B4' C8' B9' B5' 38.4(6) . . . . ?
B4' C8' B9' B10' 100.8(7) . . . . ?
B4' C8' B9' B12' 140.5(7) . . . . ?
B4' C8' B12' B7' 104.7(7) . . . . ?
B4' C8' B12' B9' -36.7(6) . . . . ?
B4' C8' B12' B10' 2.4(8) . . . . ?
B4' C8' B12' B11' 66.5(8) . . . . ?
B4' B9' B10' B5' -37.3(6) . . . . ?
B4' B9' B10' B6' -0.2(9) . . . . ?
B4' B9' B10' B11' 65.4(8) . . . . ?
B4' B9' B10' B12' 100.0(7) . . . . ?
B4' B9' B12' B7' -0.6(9) . . . . ?
B4' B9' B12' C8' 34.6(6) . . . . ?
B4' B9' B12' B10' -100.7(7) . . . . ?
B4' B9' B12' B11' -65.3(8) . . . . ?
B5' C1' B3' Co2' 116.1(6) . . . . ?
B5' C1' B3' B4' -36.3(7) . . . . ?
B5' C1' B3' B7' 64.5(8) . . . . ?
B5' C1' B3' C8' 3.5(9) . . . . ?
B5' C1' B4' B3' 142.6(7) . . . . ?
B5' C1' B4' C8' 101.9(7) . . . . ?
B5' C1' B4' B9' 39.5(6) . . . . ?
B5' C1' B6' Co2' -153.2(7) . . . . ?
B5' C1' B6' B10' -39.5(7) . . . . ?
B5' C1' B6' B11' -102.6(8) . . . . ?
B5' B4' C8' C1 -144.7(6) . . . . ?
B5' B4' C8' B3' 101.7(7) . . . . ?
B5' B4' C8' B7' 64.3(8) . . . . ?
B5' B4' C8' B9' -39.0(6) . . . . ?
B5' B4' C8' B12' -2.3(8) . . . . ?
B5' B4' B9' C8' 136.0(6) . . . . ?
B5' B4' B9' B10' 37.5(6) . . . . ?
B5' B4' B9' B12' 101.5(7) . . . . ?
B5' B6' B10' B9' -36.6(7) . . . . ?
B5' B6' B10' B11' -137.8(7) . . . . ?
B5' B6' B10' B12' -100.1(8) . . . . ?
B5' B6' B11' Co2' -109.6(6) . . . . ?
B5' B6' B11' B7' -61.5(8) . . . . ?
B5' B6' B11' B10' 37.6(6) . . . . ?
B5' B6' B11' B12' 0.5(8) . . . . ?
B5' B9' B10' B6' 37.1(6) . . . . ?
B5' B9' B10' B11' 102.8(7) . . . . ?
B5' B9' B10' B12' 137.4(7) . . . . ?
B5' B9' B12' B7' 62.1(8) . . . . ?
B5' B9' B12' C8' 97.3(7) . . . . ?
B5' B9' B12' B10' -38.1(6) . . . . ?
B5' B9' B12' B11' -2.6(8) . . . . ?
B5' B10' B11' Co2' -7.0(9) . . . . ?
B5' B10' B11' B6' -38.8(7) . . . . ?
B5' B10' B11' B7' 61.1(8) . . . . ?
B5' B10' B11' B12' 98.8(8) . . . . ?
B5' B10' B12' B7' -64.9(8) . . . . ?
B5' B10' B12' C8' -1.6(8) . . . . ?
B5' B10' B12' B9' 37.9(6) . . . . ?
B5' B10' B12' B11' -103.5(7) . . . . ?
B6' C1' B3' Co2' 46.9(6) . . . . ?
B6' C1' B3' B4' -105.5(7) . . . . ?
B6' C1' B3' B7' -4.8(9) . . . . ?
B6' C1' B3' C8' -65.8(8) . . . . ?
B6' C1' B4' B3' 105.9(7) . . . . ?
B6' C1' B4' B5' -36.7(7) . . . . ?
B6' C1' B4' C8' 65.2(8) . . . . ?
B6' C1' B4' B9' 2.8(9) . . . . ?
B6' C1' B5' B4' 141.8(8) . . . . ?
B6' C1' B5' B9' 102.1(8) . . . . ?
B6' C1' B5' B10' 39.5(6) . . . . ?
B6' B5' B9' B4' 102.1(7) . . . . ?
B6' B5' B9' C8' 64.1(8) . . . . ?
B6' B5' B9' B10' -35.7(6) . . . . ?
B6' B5' B9' B12' 2.9(8) . . . . ?
B6' B5' B10' B9' 139.7(7) . . . . ?
B6' B5' B10' B11' 38.9(7) . . . . ?
B6' B5' B10' B12' 101.9(7) . . . . ?
B6' B10' B11' Co2' 31.8(6) . . . . ?
B6' B10' B11' B7' 99.9(7) . . . . ?
B6' B10' B11' B12' 137.6(7) . . . . ?
B6' B10' B12' B7' 0.0(10) . . . . ?
B6' B10' B12' C8' 63.3(8) . . . . ?
B6' B10' B12' B9' 102.8(8) . . . . ?
B6' B10' B12' B11' -38.6(7) . . . . ?
B6' B11' B12' B7' -100.9(7) . . . . ?
B6' B11' B12' C8' -62.9(7) . . . . ?
B6' B11' B12' B9' 1.2(8) . . . . ?
B6' B11' B12' B10' 36.1(6) . . . . ?
B7' B3' B4' C1' -97.7(7) . . . . ?
B7' B3' B4' B5' -64.4(9) . . . . ?
B7' B3' B4' C8' 35.0(6) . . . . ?
B7' B3' B4' B9' -0.5(9) . . . . ?
B7' B3' C8' C1 113.4(9) . . . . ?
B7' B3' C8' B4' -140.4(7) . . . . ?
B7' B3' C8' B9' -103.6(7) . . . . ?
B7' B3' C8' B12' -37.1(6) . . . . ?
B7' C8' B9' B4' -104.3(7) . . . . ?
B7' C8' B9' B5' -66.0(8) . . . . ?
B7' C8' B9' B10' -3.5(9) . . . . ?
B7' C8' B9' B12' 36.2(7) . . . . ?
B7' C8' B12' B9' -141.4(7) . . . . ?
B7' C8' B12' B10' -102.2(7) . . . . ?
B7' C8' B12' B11' -38.1(6) . . . . ?
B7' B11' B12' C8' 38.0(6) . . . . ?
B7' B11' B12' B9' 102.2(8) . . . . ?
B7' B11' B12' B10' 137.1(7) . . . . ?
C8' C1 C2 Co3 -108.9(7) . . . . ?
C8' C1 C2 B6 97.3(8) . . . . ?
C8' C1 C2 B7 -158.5(7) . . . . ?
C8' C1 C2 B11 134.1(8) . . . . ?
C8' C1 B4 Co3 109.5(7) . . . . ?
C8' C1 B4 B5 -101.0(8) . . . . ?
C8' C1 B4 B8 160.5(7) . . . . ?
C8' C1 B4 B9 -138.9(7) . . . . ?
C8' C1 B5 B4 117.4(7) . . . . ?
C8' C1 B5 B6 -103.1(7) . . . . ?
C8' C1 B5 B9 156.2(6) . . . . ?
C8' C1 B5 B10 -140.4(7) . . . . ?
C8' C1 B6 C2 -117.3(7) . . . . ?
C8' C1 B6 B5 105.0(7) . . . . ?
C8' C1 B6 B10 143.6(7) . . . . ?
C8' C1 B6 B11 -151.8(7) . . . . ?
C8' B3' B4' C1' -132.6(7) . . . . ?
C8' B3' B4' B5' -99.3(8) . . . . ?
C8' B3' B4' B9' -35.5(6) . . . . ?
C8' B3' B7' Co2' 146.1(6) . . . . ?
C8' B3' B7' B11' 98.5(7) . . . . ?
C8' B3' B7' B12' 34.8(6) . . . . ?
C8' B4' B5' C1' -96.0(6) . . . . ?
C8' B4' B5' B6' -61.4(9) . . . . ?
C8' B4' B5' B9' 39.1(6) . . . . ?
C8' B4' B5' B10' 1.2(8) . . . . ?
C8' B4' B9' B5' -136.0(6) . . . . ?
C8' B4' B9' B10' -98.5(7) . . . . ?
C8' B4' B9' B12' -34.5(6) . . . . ?
C8' B7' B11' Co2' 108.9(6) . . . . ?
C8' B7' B11' B6' 61.1(8) . . . . ?
C8' B7' B11' B10' 0.8(8) . . . . ?
C8' B7' B11' B12' -37.0(6) . . . . ?
C8' B7' B12' B9' 35.3(6) . . . . ?
C8' B7' B12' B10' 98.6(7) . . . . ?
C8' B7' B12' B11' 137.5(7) . . . . ?
C8' B9' B10' B5' -98.8(7) . . . . ?
C8' B9' B10' B6' -61.7(9) . . . . ?
C8' B9' B10' B11' 4.0(9) . . . . ?
C8' B9' B10' B12' 38.6(6) . . . . ?
C8' B9' B12' B7' -35.2(6) . . . . ?
C8' B9' B12' B10' -135.3(7) . . . . ?
C8' B9' B12' B11' -99.9(7) . . . . ?
B9' B4' B5' C1' -135.0(7) . . . . ?
B9' B4' B5' B6' -100.4(8) . . . . ?
B9' B4' B5' B10' -37.8(6) . . . . ?
B9' B4' C8' C1 -105.7(7) . . . . ?
B9' B4' C8' B3' 140.8(7) . . . . ?
B9' B4' C8' B7' 103.3(7) . . . . ?
B9' B4' C8' B12' 36.7(6) . . . . ?
B9' B5' B6' C1' -98.1(7) . . . . ?
B9' B5' B6' Co2' -71.9(8) . . . . ?
B9' B5' B6' B10' 36.1(6) . . . . ?
B9' B5' B6' B11' -2.1(9) . . . . ?
B9' B5' B10' B6' -139.7(7) . . . . ?
B9' B5' B10' B11' -100.8(7) . . . . ?
B9' B5' B10' B12' -37.8(6) . . . . ?
B9' C8' B12' B7' 141.4(7) . . . . ?
B9' C8' B12' B10' 39.1(6) . . . . ?
B9' C8' B12' B11' 103.2(7) . . . . ?
B9' B10' B11' Co2' -71.1(8) . . . . ?
B9' B10' B11' B6' -102.9(8) . . . . ?
B9' B10' B11' B7' -3.0(9) . . . . ?
B9' B10' B11' B12' 34.7(6) . . . . ?
B9' B10' B12' B7' -102.8(7) . . . . ?
B9' B10' B12' C8' -39.5(6) . . . . ?
B9' B10' B12' B11' -141.4(7) . . . . ?
B10' B5' B6' C1' -134.3(7) . . . . ?
B10' B5' B6' Co2' -108.0(7) . . . . ?
B10' B5' B6' B11' -38.2(6) . . . . ?
B10' B5' B9' B4' 137.8(7) . . . . ?
B10' B5' B9' C8' 99.8(7) . . . . ?
B10' B5' B9' B12' 38.5(6) . . . . ?
B10' B6' B11' Co2' -147.2(6) . . . . ?
B10' B6' B11' B7' -99.1(7) . . . . ?
B10' B6' B11' B12' -37.1(6) . . . . ?
B10' B9' B12' B7' 100.1(7) . . . . ?
B10' B9' B12' C8' 135.3(7) . . . . ?
B10' B9' B12' B11' 35.5(6) . . . . ?
B10' B11' B12' B7' -137.1(7) . . . . ?
B10' B11' B12' C8' -99.0(7) . . . . ?
B10' B11' B12' B9' -34.9(6) . . . . ?
B11' B6' B10' B5' 137.8(7) . . . . ?
B11' B6' B10' B9' 101.3(7) . . . . ?
B11' B6' B10' B12' 37.7(7) . . . . ?
B11' B7' C8' C1 146.1(7) . . . . ?
B11' B7' C8' B3' -102.5(7) . . . . ?
B11' B7' C8' B4' -64.9(8) . . . . ?
B11' B7' C8' B9' 1.7(9) . . . . ?
B11' B7' C8' B12' 37.8(6) . . . . ?
B11' B7' B12' C8' -137.5(7) . . . . ?
B11' B7' B12' B9' -102.2(7) . . . . ?
B11' B7' B12' B10' -38.9(7) . . . . ?
B11' B10' B12' B7' 38.6(6) . . . . ?
B11' B10' B12' C8' 101.9(7) . . . . ?
B11' B10' B12' B9' 141.4(7) . . . . ?
B12' B7' C8' C1 108.3(8) . . . . ?
B12' B7' C8' B3' -140.3(7) . . . . ?
B12' B7' C8' B4' -102.7(7) . . . . ?
B12' B7' C8' B9' -36.1(7) . . . . ?
B12' B7' B11' Co2' 145.9(6) . . . . ?
B12' B7' B11' B6' 98.1(7) . . . . ?
B12' B7' B11' B10' 37.8(6) . . . . ?
B12' C8' B9' B4' -140.5(7) . . . . ?
B12' C8' B9' B5' -102.1(7) . . . . ?
B12' C8' B9' B10' -39.7(6) . . . . ?
B12' B9' B10' B5' -137.4(7) . . . . ?
B12' B9' B10' B6' -100.2(7) . . . . ?
B12' B9' B10' B11' -34.6(6) . . . . ?
B12' B10' B11' Co2' -105.8(7) . . . . ?
B12' B10' B11' B6' -137.6(7) . . . . ?
B12' B10' B11' B7' -37.7(6) . . . . ?
C21' C22' C23' Co2' -61.2(6) . . . . ?
C21' C22' C23' C24' -1.0(11) . . . . ?
C22' C21' C25' Co2' 59.7(6) . . . . ?
C22' C21' C25' C24' -1.7(10) . . . . ?
C22' C23' C24' Co2' -59.6(7) . . . . ?
C22' C23' C24' C25' -0.1(11) . . . . ?
C23' C24' C25' Co2' -60.1(6) . . . . ?
C23' C24' C25' C21' 1.1(10) . . . . ?
C25' C21' C22' Co2' -59.3(6) . . . . ?
C25' C21' C22' C23' 1.6(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.618(3)
2 0.382(3)

####################################################################### 
# 
# 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_4987t
_database_code_depnum_ccdc_archive 'CCDC 1516774'
_audit_update_record             
;
2016-11-11 deposited with the CCDC.
2016-12-19 downloaded from the CCDC.
;
_audit_creation_date             2016-10-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_formula_moiety         'C14 H30 B18 Co2'
_chemical_formula_sum            'C14 H30 B18 Co2'
_chemical_formula_weight         510.82
_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.5433(8)
_cell_length_b                   14.3480(12)
_cell_length_c                   21.5040(17)
_cell_angle_alpha                90
_cell_angle_beta                 96.906(4)
_cell_angle_gamma                90
_cell_volume                     2310.5(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8310
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.997
_cell_measurement_theta_min      2.719
_shelx_estimated_absorpt_T_max   0.919
_shelx_estimated_absorpt_T_min   0.656
_exptl_absorpt_coefficient_mu    1.440
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2008/4 (Bruker,2010) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.0737 before and 0.0592 after correction.
 The Ratio of minimum to maximum transmission is 0.84.
 The λ/2 correction factor is Not present

Final HKLF 4 output contains 35325 reflections, Rint = 0.0592
 (10623 with I > 3sig(I), Rint = 0.0393)
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0540
_diffrn_reflns_av_unetI/netI     0.0491
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            35422
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.082
_diffrn_reflns_theta_min         1.710
_diffrn_ambient_temperature      100.15
_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                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4403
_reflns_number_total             5094
_reflns_special_details          
;
 _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    ?
_refine_diff_density_max         0.398
_refine_diff_density_min         -0.452
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     368
_refine_ls_number_reflns         5094
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0371
_refine_ls_restrained_S_all      1.046
_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)+(0.0330P)²+1.3943P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0748
_refine_ls_wR_factor_ref         0.0784
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.8267(7) 0.1733(7)
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:
 C25'(H25'), C31(H31), C32(H32), C33(H33), C34(H34), C35(H35), C21'(H21'),
 C22'(H22'), C23'(H23'), C24'(H24')
;
_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 0.3259(4) 0.88810(19) 0.32781(12) 0.0121(6) Uani 1 1 d . . . . .
C2 C 0.1100(4) 0.8821(2) 0.33087(12) 0.0138(6) Uani 1 1 d . . . . .
H2 H 0.030(4) 0.902(2) 0.2927(13) 0.017 Uiso 1 1 d R . . . .
Co3 Co 0.21405(5) 0.99694(2) 0.37899(2) 0.01270(9) Uani 1 1 d . . . . .
B4 B 0.4296(5) 0.9079(2) 0.40343(14) 0.0150(7) Uani 1 1 d . . . . .
C25' C 0.1851(4) 1.0840(2) 0.07489(13) 0.0233(7) Uani 1 1 d . . . . .
H25' H 0.1985 1.1515 0.0862 0.028 Uiso 1 1 calc R . . . .
H4 H 0.553(5) 0.939(2) 0.4125(14) 0.028 Uiso 1 1 d R . . . .
B5 B 0.4291(5) 0.7944(2) 0.36830(14) 0.0148(7) Uani 1 1 d . . . . .
H5 H 0.541(4) 0.768(2) 0.3553(14) 0.018 Uiso 1 1 d R . . . .
B6 B 0.2224(5) 0.7782(2) 0.32121(14) 0.0134(6) Uani 1 1 d . . . . .
H6 H 0.202(4) 0.7431(19) 0.2767(14) 0.016 Uiso 1 1 d R . . . .
B7 B 0.0484(5) 0.8938(2) 0.40626(14) 0.0161(7) Uani 1 1 d . . . . .
H7 H -0.080(4) 0.918(2) 0.4137(14) 0.019 Uiso 1 1 d R . . . .
B8 B 0.2582(5) 0.9069(2) 0.45581(14) 0.0168(7) Uani 1 1 d . . . . .
H8 H 0.275(4) 0.936(2) 0.5028(13) 0.020 Uiso 1 1 d R . . . .
B9 B 0.3855(5) 0.8055(2) 0.44661(15) 0.0180(7) Uani 1 1 d . . . . .
H9 H 0.482(4) 0.780(2) 0.4836(14) 0.022 Uiso 1 1 d R . . . .
B10 B 0.2568(5) 0.7275(2) 0.39568(15) 0.0168(7) Uani 1 1 d . . . . .
H10 H 0.277(4) 0.652(2) 0.4010(13) 0.020 Uiso 1 1 d R . . . .
B11 B 0.0517(5) 0.7835(2) 0.36919(15) 0.0155(7) Uani 1 1 d . . . . .
H11 H -0.071(4) 0.748(2) 0.3515(14) 0.019 Uiso 1 1 d R . . . .
B12 B 0.1494(5) 0.7970(2) 0.44803(15) 0.0180(7) Uani 1 1 d . . . . .
H12 H 0.091(4) 0.767(2) 0.4863(14) 0.022 Uiso 1 1 d R . . . .
C31 C 0.3389(5) 1.1246(2) 0.39700(15) 0.0234(7) Uani 1 1 d . . . . .
H31 H 0.4705 1.1352 0.4062 0.028 Uiso 1 1 calc R . . . .
C32 C 0.2216(5) 1.1053(2) 0.44115(14) 0.0288(8) Uani 1 1 d . . . . .
H32 H 0.2550 1.1008 0.4875 0.035 Uiso 1 1 calc R . . . .
C33 C 0.0486(5) 1.0959(2) 0.40943(17) 0.0328(9) Uani 1 1 d . . . . .
H33 H -0.0626 1.0837 0.4292 0.039 Uiso 1 1 calc R . . . .
C34 C 0.0584(5) 1.1106(2) 0.34497(15) 0.0265(7) Uani 1 1 d . . . . .
H34 H -0.0440 1.1090 0.3108 0.032 Uiso 1 1 calc R . . . .
C35 C 0.2376(5) 1.12999(19) 0.33775(13) 0.0211(7) Uani 1 1 d . . . . .
H35 H 0.2856 1.1427 0.2972 0.025 Uiso 1 1 calc R . . . .
C1' C 0.4920(4) 1.0417(2) 0.18575(12) 0.0151(6) Uani 1 1 d . . . . .
H1' H 0.496(4) 1.108(2) 0.1775(13) 0.018 Uiso 1 1 d R . . . .
Co2' Co 0.31281(5) 0.97416(3) 0.12434(2) 0.01233(10) Uani 1 1 d . . . . .
B3' B 0.3104(4) 0.9982(2) 0.21668(13) 0.0126(6) Uani 1 1 d . . . . .
H3' H 0.203(4) 1.039(2) 0.2288(13) 0.015 Uiso 1 1 d R . . . .
B4' B 0.5240(4) 1.0136(2) 0.26271(13) 0.0134(6) Uani 1 1 d . . . . .
H4' H 0.537(4) 1.065(2) 0.2951(13) 0.016 Uiso 1 1 d R . . . .
B5' B 0.6906(4) 0.9909(2) 0.21456(14) 0.0155(7) Uani 1 1 d . . . . .
H5' H 0.806(4) 1.032(2) 0.2204(13) 0.019 Uiso 1 1 d R . . . .
B6' B 0.5843(5) 0.9610(2) 0.13847(14) 0.0158(7) Uani 1 1 d . . . . .
H6' H 0.654(4) 0.984(2) 0.0992(13) 0.019 Uiso 1 1 d R . . . .
B7' B 0.2912(5) 0.8772(2) 0.19356(14) 0.0133(6) Uani 1 1 d . . . . .
H7' H 0.180(4) 0.841(2) 0.1972(13) 0.016 Uiso 1 1 d R . . . .
C8' C 0.4044(4) 0.91292(19) 0.26643(12) 0.0113(6) Uani 1 1 d . . . . .
B9' B 0.6350(5) 0.9051(2) 0.26742(14) 0.0144(7) Uani 1 1 d . . . . .
H9' H 0.711(4) 0.889(2) 0.3104(14) 0.017 Uiso 1 1 d R . . . .
B10' B 0.6743(5) 0.8732(2) 0.19093(14) 0.0157(7) Uani 1 1 d . . . . .
H10' H 0.786(4) 0.834(2) 0.1840(13) 0.019 Uiso 1 1 d R . . . .
B11' B 0.4629(5) 0.8549(2) 0.14538(14) 0.0155(7) Uani 1 1 d . . . . .
H11' H 0.451(4) 0.798(2) 0.1102(13) 0.019 Uiso 1 1 d R . . . .
B12' B 0.4935(5) 0.8224(2) 0.22499(14) 0.0144(6) Uani 1 1 d . . . . .
H12' H 0.492(4) 0.754(2) 0.2405(13) 0.017 Uiso 1 1 d R . . . .
C21' C 0.0598(4) 1.0229(3) 0.09528(13) 0.0273(8) Uani 1 1 d . . . . .
H21' H -0.0333 1.0390 0.1229 0.033 Uiso 1 1 calc R . . . .
C22' C 0.0877(5) 0.9335(2) 0.06907(13) 0.0285(8) Uani 1 1 d . . . . .
H22' H 0.0165 0.8759 0.0746 0.034 Uiso 1 1 calc R . . . .
C23' C 0.2324(5) 0.9412(2) 0.03285(12) 0.0238(7) Uani 1 1 d . . . . .
H23' H 0.2817 0.8899 0.0085 0.029 Uiso 1 1 calc R . . . .
C24' C 0.2924(4) 1.0339(2) 0.03647(12) 0.0200(7) Uani 1 1 d . . . . .
H24' H 0.3933 1.0600 0.0157 0.024 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 1.640(4) . ?
C1 Co3 2.141(3) . ?
C1 B4 1.741(4) . ?
C1 B5 1.734(4) . ?
C1 B6 1.758(4) . ?
C1 C8' 1.551(4) . ?
C2 Co3 2.051(3) . ?
C2 B6 1.740(4) . ?
C2 B7 1.747(4) . ?
C2 B11 1.721(4) . ?
Co3 B4 2.085(3) . ?
Co3 B7 2.067(3) . ?
Co3 B8 2.092(3) . ?
Co3 C31 2.074(3) . ?
Co3 C32 2.047(3) . ?
Co3 C33 2.049(3) . ?
Co3 C34 2.090(3) . ?
Co3 C35 2.121(3) . ?
B4 B5 1.794(5) . ?
B4 B8 1.814(5) . ?
B4 B9 1.790(4) . ?
C25' Co2' 2.073(3) . ?
C25' C21' 1.398(5) . ?
C25' C24' 1.420(4) . ?
B5 B6 1.769(5) . ?
B5 B9 1.761(5) . ?
B5 B10 1.772(5) . ?
B6 B10 1.749(4) . ?
B6 B11 1.745(5) . ?
B7 B8 1.808(5) . ?
B7 B11 1.774(5) . ?
B7 B12 1.775(5) . ?
B8 B9 1.767(5) . ?
B8 B12 1.776(5) . ?
B9 B10 1.772(5) . ?
B9 B12 1.789(5) . ?
B10 B11 1.774(5) . ?
B10 B12 1.771(5) . ?
B11 B12 1.776(5) . ?
C31 C32 1.400(5) . ?
C31 C35 1.407(4) . ?
C32 C33 1.405(5) . ?
C33 C34 1.413(5) . ?
C34 C35 1.407(5) . ?
C1' Co2' 2.020(3) . ?
C1' B3' 1.711(4) . ?
C1' B4' 1.692(4) . ?
C1' B5' 1.714(4) . ?
C1' B6' 1.741(4) . ?
Co2' B3' 2.018(3) . ?
Co2' B6' 2.043(3) . ?
Co2' B7' 2.058(3) . ?
Co2' B11' 2.071(3) . ?
Co2' C21' 2.058(3) . ?
Co2' C22' 2.037(3) . ?
Co2' C23' 2.043(3) . ?
Co2' C24' 2.064(3) . ?
B3' B4' 1.800(4) . ?
B3' B7' 1.806(4) . ?
B3' C8' 1.721(4) . ?
B4' B5' 1.752(5) . ?
B4' C8' 1.710(4) . ?
B4' B9' 1.765(5) . ?
B5' B6' 1.786(4) . ?
B5' B9' 1.761(5) . ?
B5' B10' 1.764(5) . ?
B6' B10' 1.771(5) . ?
B6' B11' 1.792(5) . ?
B7' C8' 1.768(4) . ?
B7' B11' 1.782(5) . ?
B7' B12' 1.777(5) . ?
C8' B9' 1.740(4) . ?
C8' B12' 1.754(4) . ?
B9' B10' 1.767(5) . ?
B9' B12' 1.773(5) . ?
B10' B11' 1.788(5) . ?
B10' B12' 1.779(5) . ?
B11' B12' 1.763(4) . ?
C21' C22' 1.426(5) . ?
C22' C23' 1.420(5) . ?
C23' C24' 1.404(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 Co3 64.09(14) . . ?
C2 C1 B4 107.9(2) . . ?
C2 C1 B5 109.1(2) . . ?
C2 C1 B6 61.47(18) . . ?
B4 C1 Co3 64.01(14) . . ?
B4 C1 B6 111.5(2) . . ?
B5 C1 Co3 119.20(17) . . ?
B5 C1 B4 62.17(17) . . ?
B5 C1 B6 60.88(18) . . ?
B6 C1 Co3 119.79(18) . . ?
C8' C1 C2 121.9(2) . . ?
C8' C1 Co3 118.95(18) . . ?
C8' C1 B4 125.6(2) . . ?
C8' C1 B5 114.3(2) . . ?
C8' C1 B6 110.4(2) . . ?
C1 C2 Co3 69.91(15) . . ?
C1 C2 B6 62.59(18) . . ?
C1 C2 B7 114.1(2) . . ?
C1 C2 B11 112.0(2) . . ?
B6 C2 Co3 125.89(19) . . ?
B6 C2 B7 112.4(2) . . ?
B7 C2 Co3 65.36(15) . . ?
B11 C2 Co3 121.56(18) . . ?
B11 C2 B6 60.57(18) . . ?
B11 C2 B7 61.53(18) . . ?
C2 Co3 C1 46.01(10) . . ?
C2 Co3 B4 82.78(12) . . ?
C2 Co3 B7 50.22(12) . . ?
C2 Co3 B8 85.25(12) . . ?
C2 Co3 C31 160.24(12) . . ?
C2 Co3 C34 106.60(12) . . ?
C2 Co3 C35 123.94(11) . . ?
B4 Co3 C1 48.63(11) . . ?
B4 Co3 B8 51.48(13) . . ?
B4 Co3 C34 162.71(14) . . ?
B4 Co3 C35 123.70(14) . . ?
B7 Co3 C1 85.00(12) . . ?
B7 Co3 B4 88.26(13) . . ?
B7 Co3 B8 51.54(14) . . ?
B7 Co3 C31 148.81(13) . . ?
B7 Co3 C34 108.95(15) . . ?
B7 Co3 C35 147.87(14) . . ?
B8 Co3 C1 85.43(12) . . ?
B8 Co3 C35 150.74(12) . . ?
C31 Co3 C1 122.80(12) . . ?
C31 Co3 B4 99.86(14) . . ?
C31 Co3 B8 111.85(13) . . ?
C31 Co3 C34 66.40(13) . . ?
C31 Co3 C35 39.16(12) . . ?
C32 Co3 C1 155.21(14) . . ?
C32 Co3 C2 156.75(14) . . ?
C32 Co3 B4 109.95(14) . . ?
C32 Co3 B7 109.21(14) . . ?
C32 Co3 B8 87.95(13) . . ?
C32 Co3 C31 39.72(13) . . ?
C32 Co3 C33 40.12(15) . . ?
C32 Co3 C34 66.80(13) . . ?
C32 Co3 C35 65.92(12) . . ?
C33 Co3 C1 164.23(13) . . ?
C33 Co3 C2 120.46(14) . . ?
C33 Co3 B4 146.16(14) . . ?
C33 Co3 B7 89.60(13) . . ?
C33 Co3 B8 102.76(14) . . ?
C33 Co3 C31 66.98(14) . . ?
C33 Co3 C34 39.90(14) . . ?
C33 Co3 C35 66.10(13) . . ?
C34 Co3 C1 128.97(11) . . ?
C34 Co3 B8 141.97(14) . . ?
C34 Co3 C35 39.02(13) . . ?
C35 Co3 C1 112.55(11) . . ?
C1 B4 Co3 67.37(15) . . ?
C1 B4 B5 58.72(17) . . ?
C1 B4 B8 107.8(2) . . ?
C1 B4 B9 105.1(2) . . ?
B5 B4 Co3 119.2(2) . . ?
B5 B4 B8 106.8(2) . . ?
B8 B4 Co3 64.45(15) . . ?
B9 B4 Co3 116.5(2) . . ?
B9 B4 B5 58.86(18) . . ?
B9 B4 B8 58.72(18) . . ?
C21' C25' Co2' 69.62(17) . . ?
C21' C25' C24' 108.6(3) . . ?
C24' C25' Co2' 69.57(16) . . ?
C1 B5 B4 59.10(17) . . ?
C1 B5 B6 60.22(17) . . ?
C1 B5 B9 106.6(2) . . ?
C1 B5 B10 106.5(2) . . ?
B6 B5 B4 108.5(2) . . ?
B6 B5 B10 59.20(18) . . ?
B9 B5 B4 60.45(18) . . ?
B9 B5 B6 107.8(2) . . ?
B9 B5 B10 60.18(19) . . ?
B10 B5 B4 108.4(2) . . ?
C1 B6 B5 58.90(17) . . ?
C2 B6 C1 55.94(16) . . ?
C2 B6 B5 103.1(2) . . ?
C2 B6 B10 105.5(2) . . ?
C2 B6 B11 59.19(18) . . ?
B10 B6 C1 106.5(2) . . ?
B10 B6 B5 60.48(19) . . ?
B11 B6 C1 105.4(2) . . ?
B11 B6 B5 108.5(2) . . ?
B11 B6 B10 61.02(19) . . ?
C2 B7 Co3 64.42(15) . . ?
C2 B7 B8 104.2(2) . . ?
C2 B7 B11 58.50(17) . . ?
C2 B7 B12 104.4(2) . . ?
B8 B7 Co3 64.96(15) . . ?
B11 B7 Co3 118.0(2) . . ?
B11 B7 B8 107.4(2) . . ?
B11 B7 B12 60.04(19) . . ?
B12 B7 Co3 117.8(2) . . ?
B12 B7 B8 59.41(19) . . ?
B4 B8 Co3 64.07(14) . . ?
B7 B8 Co3 63.50(14) . . ?
B7 B8 B4 105.9(2) . . ?
B9 B8 Co3 117.19(19) . . ?
B9 B8 B4 59.96(19) . . ?
B9 B8 B7 107.3(2) . . ?
B9 B8 B12 60.65(19) . . ?
B12 B8 Co3 116.48(19) . . ?
B12 B8 B4 107.7(2) . . ?
B12 B8 B7 59.37(19) . . ?
B5 B9 B4 60.69(18) . . ?
B5 B9 B8 110.4(2) . . ?
B5 B9 B10 60.22(19) . . ?
B5 B9 B12 108.1(2) . . ?
B8 B9 B4 61.32(19) . . ?
B8 B9 B10 108.9(2) . . ?
B8 B9 B12 59.9(2) . . ?
B10 B9 B4 108.7(2) . . ?
B10 B9 B12 59.6(2) . . ?
B12 B9 B4 108.2(2) . . ?
B5 B10 B11 107.1(2) . . ?
B6 B10 B5 60.32(18) . . ?
B6 B10 B9 108.3(2) . . ?
B6 B10 B11 59.38(19) . . ?
B6 B10 B12 108.6(2) . . ?
B9 B10 B5 59.60(18) . . ?
B9 B10 B11 107.7(2) . . ?
B12 B10 B5 108.4(2) . . ?
B12 B10 B9 60.67(19) . . ?
B12 B10 B11 60.12(19) . . ?
C2 B11 B6 60.24(17) . . ?
C2 B11 B7 59.97(17) . . ?
C2 B11 B10 105.2(2) . . ?
C2 B11 B12 105.5(2) . . ?
B6 B11 B7 110.8(2) . . ?
B6 B11 B10 59.60(18) . . ?
B6 B11 B12 108.6(2) . . ?
B7 B11 B10 108.6(2) . . ?
B7 B11 B12 60.01(18) . . ?
B10 B11 B12 59.84(19) . . ?
B7 B12 B8 61.21(19) . . ?
B7 B12 B9 107.8(2) . . ?
B7 B12 B11 59.95(18) . . ?
B8 B12 B9 59.4(2) . . ?
B10 B12 B7 108.7(2) . . ?
B10 B12 B8 108.5(2) . . ?
B10 B12 B9 59.68(19) . . ?
B10 B12 B11 60.03(19) . . ?
B11 B12 B8 108.7(2) . . ?
B11 B12 B9 106.9(2) . . ?
C32 C31 Co3 69.09(18) . . ?
C32 C31 C35 107.8(3) . . ?
C35 C31 Co3 72.22(17) . . ?
C31 C32 Co3 71.19(17) . . ?
C31 C32 C33 108.4(3) . . ?
C33 C32 Co3 70.02(18) . . ?
C32 C33 Co3 69.87(19) . . ?
C32 C33 C34 107.9(3) . . ?
C34 C33 Co3 71.62(19) . . ?
C33 C34 Co3 68.48(18) . . ?
C35 C34 Co3 71.69(18) . . ?
C35 C34 C33 107.6(3) . . ?
C31 C35 Co3 68.62(17) . . ?
C31 C35 C34 108.3(3) . . ?
C34 C35 Co3 69.29(17) . . ?
B3' C1' Co2' 64.86(14) . . ?
B3' C1' B5' 114.2(2) . . ?
B3' C1' B6' 112.3(2) . . ?
B4' C1' Co2' 122.03(19) . . ?
B4' C1' B3' 63.86(17) . . ?
B4' C1' B5' 61.93(18) . . ?
B4' C1' B6' 113.1(2) . . ?
B5' C1' Co2' 121.31(19) . . ?
B5' C1' B6' 62.25(18) . . ?
B6' C1' Co2' 65.32(14) . . ?
C1' Co2' C25' 101.75(12) . . ?
C1' Co2' B6' 50.73(12) . . ?
C1' Co2' B7' 87.50(12) . . ?
C1' Co2' B11' 87.04(13) . . ?
C1' Co2' C21' 123.97(13) . . ?
C1' Co2' C22' 164.56(13) . . ?
C1' Co2' C23' 146.95(13) . . ?
C1' Co2' C24' 111.69(12) . . ?
B3' Co2' C25' 108.45(12) . . ?
B3' Co2' C1' 50.14(12) . . ?
B3' Co2' B6' 89.81(13) . . ?
B3' Co2' B7' 52.60(12) . . ?
B3' Co2' B11' 89.73(12) . . ?
B3' Co2' C21' 97.08(12) . . ?
B3' Co2' C22' 121.17(13) . . ?
B3' Co2' C23' 161.89(14) . . ?
B3' Co2' C24' 145.26(13) . . ?
B6' Co2' C25' 122.84(14) . . ?
B6' Co2' B7' 89.72(13) . . ?
B6' Co2' B11' 51.64(14) . . ?
B6' Co2' C21' 162.40(14) . . ?
B6' Co2' C23' 107.34(13) . . ?
B6' Co2' C24' 97.90(12) . . ?
B7' Co2' C25' 144.35(14) . . ?
B7' Co2' B11' 51.13(13) . . ?
B7' Co2' C24' 159.94(12) . . ?
B11' Co2' C25' 161.49(12) . . ?
C21' Co2' C25' 39.56(13) . . ?
C21' Co2' B7' 107.34(14) . . ?
C21' Co2' B11' 144.04(14) . . ?
C21' Co2' C24' 67.46(12) . . ?
C22' Co2' C25' 67.37(14) . . ?
C22' Co2' B6' 144.17(14) . . ?
C22' Co2' B7' 95.47(13) . . ?
C22' Co2' B11' 106.63(14) . . ?
C22' Co2' C21' 40.77(14) . . ?
C22' Co2' C23' 40.72(13) . . ?
C22' Co2' C24' 67.66(12) . . ?
C23' Co2' C25' 67.43(12) . . ?
C23' Co2' B7' 119.99(13) . . ?
C23' Co2' B11' 96.33(12) . . ?
C23' Co2' C21' 68.23(13) . . ?
C23' Co2' C24' 39.98(12) . . ?
C24' Co2' C25' 40.15(12) . . ?
C24' Co2' B11' 121.44(12) . . ?
C1' B3' Co2' 65.00(13) . . ?
C1' B3' B4' 57.57(16) . . ?
C1' B3' B7' 106.6(2) . . ?
C1' B3' C8' 102.2(2) . . ?
B4' B3' Co2' 116.68(19) . . ?
B4' B3' B7' 107.8(2) . . ?
B7' B3' Co2' 64.85(13) . . ?
C8' B3' Co2' 116.03(19) . . ?
C8' B3' B4' 58.05(16) . . ?
C8' B3' B7' 60.10(17) . . ?
C1' B4' B3' 58.57(16) . . ?
C1' B4' B5' 59.63(17) . . ?
C1' B4' C8' 103.5(2) . . ?
C1' B4' B9' 106.1(2) . . ?
B5' B4' B3' 108.1(2) . . ?
B5' B4' B9' 60.09(18) . . ?
C8' B4' B3' 58.66(16) . . ?
C8' B4' B5' 106.9(2) . . ?
C8' B4' B9' 60.10(17) . . ?
B9' B4' B3' 108.1(2) . . ?
C1' B5' B4' 58.44(17) . . ?
C1' B5' B6' 59.61(17) . . ?
C1' B5' B9' 105.3(2) . . ?
C1' B5' B10' 106.0(2) . . ?
B4' B5' B6' 108.1(2) . . ?
B4' B5' B9' 60.30(18) . . ?
B4' B5' B10' 108.5(2) . . ?
B9' B5' B6' 107.9(2) . . ?
B9' B5' B10' 60.14(18) . . ?
B10' B5' B6' 59.85(18) . . ?
C1' B6' Co2' 63.95(15) . . ?
C1' B6' B5' 58.14(17) . . ?
C1' B6' B10' 104.5(2) . . ?
C1' B6' B11' 105.8(2) . . ?
B5' B6' Co2' 116.5(2) . . ?
B5' B6' B11' 107.8(2) . . ?
B10' B6' Co2' 117.4(2) . . ?
B10' B6' B5' 59.48(18) . . ?
B10' B6' B11' 60.22(19) . . ?
B11' B6' Co2' 64.99(16) . . ?
B3' B7' Co2' 62.54(13) . . ?
C8' B7' Co2' 111.92(19) . . ?
C8' B7' B3' 57.55(16) . . ?
C8' B7' B11' 105.1(2) . . ?
C8' B7' B12' 59.33(17) . . ?
B11' B7' Co2' 64.81(14) . . ?
B11' B7' B3' 107.0(2) . . ?
B12' B7' Co2' 115.8(2) . . ?
B12' B7' B3' 106.5(2) . . ?
B12' B7' B11' 59.38(18) . . ?
C1 C8' B3' 121.4(2) . . ?
C1 C8' B4' 119.4(2) . . ?
C1 C8' B7' 119.6(2) . . ?
C1 C8' B9' 117.2(2) . . ?
C1 C8' B12' 118.1(2) . . ?
B3' C8' B7' 62.35(17) . . ?
B3' C8' B9' 112.9(2) . . ?
B3' C8' B12' 111.4(2) . . ?
B4' C8' B3' 63.29(18) . . ?
B4' C8' B7' 113.9(2) . . ?
B4' C8' B9' 61.52(18) . . ?
B4' C8' B12' 111.4(2) . . ?
B9' C8' B7' 111.6(2) . . ?
B9' C8' B12' 60.98(18) . . ?
B12' C8' B7' 60.59(17) . . ?
B4' B9' B10' 107.9(2) . . ?
B4' B9' B12' 108.0(2) . . ?
B5' B9' B4' 59.61(18) . . ?
B5' B9' B10' 60.02(18) . . ?
B5' B9' B12' 108.1(2) . . ?
C8' B9' B4' 58.38(17) . . ?
C8' B9' B5' 105.2(2) . . ?
C8' B9' B10' 106.5(2) . . ?
C8' B9' B12' 59.90(17) . . ?
B10' B9' B12' 60.36(18) . . ?
B5' B10' B6' 60.67(18) . . ?
B5' B10' B9' 59.83(18) . . ?
B5' B10' B11' 109.0(2) . . ?
B5' B10' B12' 107.7(2) . . ?
B6' B10' B11' 60.48(18) . . ?
B6' B10' B12' 107.5(2) . . ?
B9' B10' B6' 108.3(2) . . ?
B9' B10' B11' 108.0(2) . . ?
B9' B10' B12' 60.01(18) . . ?
B12' B10' B11' 59.23(18) . . ?
B6' B11' Co2' 63.36(15) . . ?
B7' B11' Co2' 64.06(14) . . ?
B7' B11' B6' 108.1(2) . . ?
B7' B11' B10' 108.5(2) . . ?
B10' B11' Co2' 115.3(2) . . ?
B10' B11' B6' 59.30(19) . . ?
B12' B11' Co2' 115.81(19) . . ?
B12' B11' B6' 107.3(2) . . ?
B12' B11' B7' 60.17(18) . . ?
B12' B11' B10' 60.16(18) . . ?
B7' B12' B10' 109.1(2) . . ?
C8' B12' B7' 60.08(17) . . ?
C8' B12' B9' 59.11(16) . . ?
C8' B12' B10' 105.4(2) . . ?
C8' B12' B11' 106.5(2) . . ?
B9' B12' B7' 109.6(2) . . ?
B9' B12' B10' 59.63(18) . . ?
B11' B12' B7' 60.46(18) . . ?
B11' B12' B9' 108.8(2) . . ?
B11' B12' B10' 60.61(18) . . ?
C25' C21' Co2' 70.81(17) . . ?
C25' C21' C22' 107.6(3) . . ?
C22' C21' Co2' 68.86(18) . . ?
C21' C22' Co2' 70.37(17) . . ?
C23' C22' Co2' 69.86(17) . . ?
C23' C22' C21' 107.8(3) . . ?
C22' C23' Co2' 69.42(16) . . ?
C24' C23' Co2' 70.80(16) . . ?
C24' C23' C22' 107.9(3) . . ?
C25' C24' Co2' 70.28(16) . . ?
C23' C24' C25' 108.0(3) . . ?
C23' C24' Co2' 69.22(16) . . ?

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 37.04(19) . . . . ?
C1 C2 B6 B10 99.6(2) . . . . ?
C1 C2 B6 B11 141.0(2) . . . . ?
C1 C2 B7 Co3 51.73(19) . . . . ?
C1 C2 B7 B8 -1.0(3) . . . . ?
C1 C2 B7 B11 -102.9(3) . . . . ?
C1 C2 B7 B12 -62.5(3) . . . . ?
C1 C2 B11 B6 -37.1(2) . . . . ?
C1 C2 B11 B7 106.4(3) . . . . ?
C1 C2 B11 B10 3.5(3) . . . . ?
C1 C2 B11 B12 65.8(3) . . . . ?
C1 B4 B5 B6 -35.8(2) . . . . ?
C1 B4 B5 B9 -136.3(3) . . . . ?
C1 B4 B5 B10 -98.6(2) . . . . ?
C1 B4 B8 Co3 -53.07(17) . . . . ?
C1 B4 B8 B7 -3.9(3) . . . . ?
C1 B4 B8 B9 97.2(2) . . . . ?
C1 B4 B8 B12 58.4(3) . . . . ?
C1 B4 B9 B5 37.7(2) . . . . ?
C1 B4 B9 B8 -101.9(2) . . . . ?
C1 B4 B9 B10 0.0(3) . . . . ?
C1 B4 B9 B12 -63.3(3) . . . . ?
C1 B5 B6 C2 -35.64(19) . . . . ?
C1 B5 B6 B10 -136.2(2) . . . . ?
C1 B5 B6 B11 -97.2(2) . . . . ?
C1 B5 B9 B4 -38.2(2) . . . . ?
C1 B5 B9 B8 -0.9(3) . . . . ?
C1 B5 B9 B10 99.8(2) . . . . ?
C1 B5 B9 B12 62.9(3) . . . . ?
C1 B5 B10 B6 38.8(2) . . . . ?
C1 B5 B10 B9 -100.0(2) . . . . ?
C1 B5 B10 B11 0.9(3) . . . . ?
C1 B5 B10 B12 -62.6(3) . . . . ?
C1 B6 B10 B5 -38.2(2) . . . . ?
C1 B6 B10 B9 -1.4(3) . . . . ?
C1 B6 B10 B11 98.8(2) . . . . ?
C1 B6 B10 B12 62.9(3) . . . . ?
C1 B6 B11 C2 32.77(19) . . . . ?
C1 B6 B11 B7 -0.7(3) . . . . ?
C1 B6 B11 B10 -100.6(2) . . . . ?
C1 B6 B11 B12 -64.8(3) . . . . ?
C1 C8' B9' B4' -110.4(3) . . . . ?
C1 C8' B9' B5' -148.9(2) . . . . ?
C1 C8' B9' B10' 148.4(2) . . . . ?
C1 C8' B9' B12' 108.7(3) . . . . ?
C1 C8' B12' B7' 110.0(3) . . . . ?
C1 C8' B12' B9' -107.3(3) . . . . ?
C1 C8' B12' B10' -146.5(2) . . . . ?
C1 C8' B12' B11' 150.3(2) . . . . ?
C2 C1 B4 Co3 -48.03(18) . . . . ?
C2 C1 B4 B5 102.6(2) . . . . ?
C2 C1 B4 B8 3.4(3) . . . . ?
C2 C1 B4 B9 64.8(3) . . . . ?
C2 C1 B5 B4 -100.7(2) . . . . ?
C2 C1 B5 B6 39.6(2) . . . . ?
C2 C1 B5 B9 -61.8(3) . . . . ?
C2 C1 B5 B10 1.2(3) . . . . ?
C2 C1 B6 B5 -136.8(2) . . . . ?
C2 C1 B6 B10 -97.9(2) . . . . ?
C2 C1 B6 B11 -34.1(2) . . . . ?
C2 C1 C8' B3' 40.6(4) . . . . ?
C2 C1 C8' B4' 115.5(3) . . . . ?
C2 C1 C8' B7' -33.3(4) . . . . ?
C2 C1 C8' B9' -173.5(2) . . . . ?
C2 C1 C8' B12' -103.6(3) . . . . ?
C2 B6 B10 B5 -96.6(2) . . . . ?
C2 B6 B10 B9 -59.8(3) . . . . ?
C2 B6 B10 B11 40.4(2) . . . . ?
C2 B6 B10 B12 4.5(3) . . . . ?
C2 B6 B11 B7 -33.5(2) . . . . ?
C2 B6 B11 B10 -133.3(2) . . . . ?
C2 B6 B11 B12 -97.6(2) . . . . ?
C2 B7 B8 Co3 52.44(16) . . . . ?
C2 B7 B8 B4 3.0(3) . . . . ?
C2 B7 B8 B9 -59.9(3) . . . . ?
C2 B7 B8 B12 -98.5(2) . . . . ?
C2 B7 B11 B6 33.6(2) . . . . ?
C2 B7 B11 B10 97.2(2) . . . . ?
C2 B7 B11 B12 133.6(3) . . . . ?
C2 B7 B12 B8 98.2(2) . . . . ?
C2 B7 B12 B9 60.0(3) . . . . ?
C2 B7 B12 B10 -3.2(3) . . . . ?
C2 B7 B12 B11 -39.6(2) . . . . ?
C2 B11 B12 B7 40.6(2) . . . . ?
C2 B11 B12 B8 2.2(3) . . . . ?
C2 B11 B12 B9 -60.5(3) . . . . ?
C2 B11 B12 B10 -98.9(2) . . . . ?
Co3 C1 C2 B6 -153.24(16) . . . . ?
Co3 C1 C2 B7 -49.45(18) . . . . ?
Co3 C1 C2 B11 -117.0(2) . . . . ?
Co3 C1 B4 B5 150.6(2) . . . . ?
Co3 C1 B4 B8 51.39(17) . . . . ?
Co3 C1 B4 B9 112.8(2) . . . . ?
Co3 C1 B5 B4 -30.4(2) . . . . ?
Co3 C1 B5 B6 109.9(2) . . . . ?
Co3 C1 B5 B9 8.5(3) . . . . ?
Co3 C1 B5 B10 71.6(2) . . . . ?
Co3 C1 B6 C2 27.82(17) . . . . ?
Co3 C1 B6 B5 -108.9(2) . . . . ?
Co3 C1 B6 B10 -70.0(3) . . . . ?
Co3 C1 B6 B11 -6.3(3) . . . . ?
Co3 C1 C8' B3' -35.3(3) . . . . ?
Co3 C1 C8' B4' 39.6(3) . . . . ?
Co3 C1 C8' B7' -109.1(2) . . . . ?
Co3 C1 C8' B9' 110.6(2) . . . . ?
Co3 C1 C8' B12' -179.46(18) . . . . ?
Co3 C2 B6 C1 -31.47(19) . . . . ?
Co3 C2 B6 B5 5.6(3) . . . . ?
Co3 C2 B6 B10 68.2(3) . . . . ?
Co3 C2 B6 B11 109.5(2) . . . . ?
Co3 C2 B7 B8 -52.77(17) . . . . ?
Co3 C2 B7 B11 -154.7(2) . . . . ?
Co3 C2 B7 B12 -114.3(2) . . . . ?
Co3 C2 B11 B6 -116.3(2) . . . . ?
Co3 C2 B11 B7 27.2(2) . . . . ?
Co3 C2 B11 B10 -75.8(3) . . . . ?
Co3 C2 B11 B12 -13.5(3) . . . . ?
Co3 B4 B5 C1 31.3(2) . . . . ?
Co3 B4 B5 B6 -4.6(3) . . . . ?
Co3 B4 B5 B9 -105.0(2) . . . . ?
Co3 B4 B5 B10 -67.3(3) . . . . ?
Co3 B4 B8 B7 49.14(17) . . . . ?
Co3 B4 B8 B9 150.3(2) . . . . ?
Co3 B4 B8 B12 111.4(2) . . . . ?
Co3 B4 B9 B5 109.6(2) . . . . ?
Co3 B4 B9 B8 -30.0(2) . . . . ?
Co3 B4 B9 B10 71.8(3) . . . . ?
Co3 B4 B9 B12 8.6(3) . . . . ?
Co3 B7 B8 B4 -49.46(17) . . . . ?
Co3 B7 B8 B9 -112.3(2) . . . . ?
Co3 B7 B8 B12 -150.9(2) . . . . ?
Co3 B7 B11 C2 -25.9(2) . . . . ?
Co3 B7 B11 B6 7.6(3) . . . . ?
Co3 B7 B11 B10 71.3(3) . . . . ?
Co3 B7 B11 B12 107.6(3) . . . . ?
Co3 B7 B12 B8 29.8(2) . . . . ?
Co3 B7 B12 B9 -8.4(3) . . . . ?
Co3 B7 B12 B10 -71.6(3) . . . . ?
Co3 B7 B12 B11 -108.0(2) . . . . ?
Co3 B8 B9 B4 30.1(2) . . . . ?
Co3 B8 B9 B5 -7.0(3) . . . . ?
Co3 B8 B9 B10 -71.3(3) . . . . ?
Co3 B8 B9 B12 -106.6(2) . . . . ?
Co3 B8 B12 B7 -29.0(2) . . . . ?
Co3 B8 B12 B9 107.8(2) . . . . ?
Co3 B8 B12 B10 72.5(3) . . . . ?
Co3 B8 B12 B11 8.8(3) . . . . ?
Co3 C31 C32 C33 -60.4(2) . . . . ?
Co3 C31 C35 C34 58.0(2) . . . . ?
Co3 C32 C33 C34 -61.9(2) . . . . ?
Co3 C33 C34 C35 -61.4(2) . . . . ?
Co3 C34 C35 C31 -57.6(2) . . . . ?
B4 C1 C2 Co3 47.98(17) . . . . ?
B4 C1 C2 B6 -105.3(2) . . . . ?
B4 C1 C2 B7 -1.5(3) . . . . ?
B4 C1 C2 B11 -69.0(3) . . . . ?
B4 C1 B5 B6 140.3(2) . . . . ?
B4 C1 B5 B9 38.9(2) . . . . ?
B4 C1 B5 B10 101.9(2) . . . . ?
B4 C1 B6 C2 99.3(2) . . . . ?
B4 C1 B6 B5 -37.4(2) . . . . ?
B4 C1 B6 B10 1.5(3) . . . . ?
B4 C1 B6 B11 65.2(3) . . . . ?
B4 C1 C8' B3' -112.6(3) . . . . ?
B4 C1 C8' B4' -37.7(4) . . . . ?
B4 C1 C8' B7' 173.6(2) . . . . ?
B4 C1 C8' B9' 33.3(4) . . . . ?
B4 C1 C8' B12' 103.2(3) . . . . ?
B4 B5 B6 C1 35.3(2) . . . . ?
B4 B5 B6 C2 -0.3(3) . . . . ?
B4 B5 B6 B10 -100.9(3) . . . . ?
B4 B5 B6 B11 -61.8(3) . . . . ?
B4 B5 B9 B8 37.3(2) . . . . ?
B4 B5 B9 B10 138.1(2) . . . . ?
B4 B5 B9 B12 101.2(3) . . . . ?
B4 B5 B10 B6 101.0(2) . . . . ?
B4 B5 B10 B9 -37.8(2) . . . . ?
B4 B5 B10 B11 63.1(3) . . . . ?
B4 B5 B10 B12 -0.4(3) . . . . ?
B4 B8 B9 B5 -37.1(2) . . . . ?
B4 B8 B9 B10 -101.4(2) . . . . ?
B4 B8 B9 B12 -136.7(2) . . . . ?
B4 B8 B12 B7 -98.3(2) . . . . ?
B4 B8 B12 B9 38.5(2) . . . . ?
B4 B8 B12 B10 3.3(3) . . . . ?
B4 B8 B12 B11 -60.5(3) . . . . ?
B4 B9 B10 B5 38.0(2) . . . . ?
B4 B9 B10 B6 0.9(3) . . . . ?
B4 B9 B10 B11 -61.8(3) . . . . ?
B4 B9 B10 B12 -100.6(3) . . . . ?
B4 B9 B12 B7 -0.2(3) . . . . ?
B4 B9 B12 B8 -39.3(2) . . . . ?
B4 B9 B12 B10 101.4(2) . . . . ?
B4 B9 B12 B11 62.9(3) . . . . ?
C25' C21' C22' Co2' 60.48(19) . . . . ?
C25' C21' C22' C23' 0.4(3) . . . . ?
B5 C1 C2 Co3 113.95(18) . . . . ?
B5 C1 C2 B6 -39.3(2) . . . . ?
B5 C1 C2 B7 64.5(3) . . . . ?
B5 C1 C2 B11 -3.0(3) . . . . ?
B5 C1 B4 Co3 -150.6(2) . . . . ?
B5 C1 B4 B8 -99.2(2) . . . . ?
B5 C1 B4 B9 -37.8(2) . . . . ?
B5 C1 B6 C2 136.8(2) . . . . ?
B5 C1 B6 B10 38.9(2) . . . . ?
B5 C1 B6 B11 102.6(2) . . . . ?
B5 C1 C8' B3' 175.3(2) . . . . ?
B5 C1 C8' B4' -109.8(3) . . . . ?
B5 C1 C8' B7' 101.4(3) . . . . ?
B5 C1 C8' B9' -38.8(3) . . . . ?
B5 C1 C8' B12' 31.1(3) . . . . ?
B5 B4 B8 Co3 -114.8(2) . . . . ?
B5 B4 B8 B7 -65.7(3) . . . . ?
B5 B4 B8 B9 35.4(2) . . . . ?
B5 B4 B8 B12 -3.4(3) . . . . ?
B5 B4 B9 B8 -139.6(2) . . . . ?
B5 B4 B9 B10 -37.8(2) . . . . ?
B5 B4 B9 B12 -101.0(3) . . . . ?
B5 B6 B10 B9 36.7(2) . . . . ?
B5 B6 B10 B11 137.0(2) . . . . ?
B5 B6 B10 B12 101.1(3) . . . . ?
B5 B6 B11 C2 94.6(2) . . . . ?
B5 B6 B11 B7 61.1(3) . . . . ?
B5 B6 B11 B10 -38.8(2) . . . . ?
B5 B6 B11 B12 -3.0(3) . . . . ?
B5 B9 B10 B6 -37.0(2) . . . . ?
B5 B9 B10 B11 -99.8(2) . . . . ?
B5 B9 B10 B12 -138.6(2) . . . . ?
B5 B9 B12 B7 -64.5(3) . . . . ?
B5 B9 B12 B8 -103.5(2) . . . . ?
B5 B9 B12 B10 37.2(2) . . . . ?
B5 B9 B12 B11 -1.4(3) . . . . ?
B5 B10 B11 C2 -2.5(3) . . . . ?
B5 B10 B11 B6 38.3(2) . . . . ?
B5 B10 B11 B7 -65.4(3) . . . . ?
B5 B10 B11 B12 -101.8(3) . . . . ?
B5 B10 B12 B7 63.2(3) . . . . ?
B5 B10 B12 B8 -1.8(3) . . . . ?
B5 B10 B12 B9 -37.0(2) . . . . ?
B5 B10 B12 B11 99.6(2) . . . . ?
B6 C1 C2 Co3 153.24(16) . . . . ?
B6 C1 C2 B7 103.8(2) . . . . ?
B6 C1 C2 B11 36.3(2) . . . . ?
B6 C1 B4 Co3 -113.7(2) . . . . ?
B6 C1 B4 B5 36.9(2) . . . . ?
B6 C1 B4 B8 -62.3(3) . . . . ?
B6 C1 B4 B9 -0.9(3) . . . . ?
B6 C1 B5 B4 -140.3(2) . . . . ?
B6 C1 B5 B9 -101.4(3) . . . . ?
B6 C1 B5 B10 -38.3(2) . . . . ?
B6 C1 C8' B3' 109.0(3) . . . . ?
B6 C1 C8' B4' -176.1(2) . . . . ?
B6 C1 C8' B7' 35.1(3) . . . . ?
B6 C1 C8' B9' -105.1(3) . . . . ?
B6 C1 C8' B12' -35.2(3) . . . . ?
B6 C2 B7 Co3 120.6(2) . . . . ?
B6 C2 B7 B8 67.8(3) . . . . ?
B6 C2 B7 B11 -34.1(2) . . . . ?
B6 C2 B7 B12 6.3(3) . . . . ?
B6 C2 B11 B7 143.5(2) . . . . ?
B6 C2 B11 B10 40.6(2) . . . . ?
B6 C2 B11 B12 102.8(3) . . . . ?
B6 B5 B9 B4 -101.6(2) . . . . ?
B6 B5 B9 B8 -64.3(3) . . . . ?
B6 B5 B9 B10 36.5(2) . . . . ?
B6 B5 B9 B12 -0.5(3) . . . . ?
B6 B5 B10 B9 -138.8(2) . . . . ?
B6 B5 B10 B11 -37.9(2) . . . . ?
B6 B5 B10 B12 -101.4(2) . . . . ?
B6 B10 B11 C2 -40.9(2) . . . . ?
B6 B10 B11 B7 -103.8(2) . . . . ?
B6 B10 B11 B12 -140.2(2) . . . . ?
B6 B10 B12 B7 -0.8(3) . . . . ?
B6 B10 B12 B8 -65.8(3) . . . . ?
B6 B10 B12 B9 -101.0(3) . . . . ?
B6 B10 B12 B11 35.6(2) . . . . ?
B6 B11 B12 B7 103.8(3) . . . . ?
B6 B11 B12 B8 65.4(3) . . . . ?
B6 B11 B12 B9 2.7(3) . . . . ?
B6 B11 B12 B10 -35.7(2) . . . . ?
B7 C2 B6 C1 -106.5(3) . . . . ?
B7 C2 B6 B5 -69.5(3) . . . . ?
B7 C2 B6 B10 -6.9(3) . . . . ?
B7 C2 B6 B11 34.5(2) . . . . ?
B7 C2 B11 B6 -143.5(2) . . . . ?
B7 C2 B11 B10 -102.9(2) . . . . ?
B7 C2 B11 B12 -40.6(2) . . . . ?
B7 B8 B9 B4 98.7(2) . . . . ?
B7 B8 B9 B5 61.6(3) . . . . ?
B7 B8 B9 B10 -2.7(3) . . . . ?
B7 B8 B9 B12 -38.1(2) . . . . ?
B7 B8 B12 B9 136.8(2) . . . . ?
B7 B8 B12 B10 101.6(2) . . . . ?
B7 B8 B12 B11 37.9(2) . . . . ?
B7 B11 B12 B8 -38.4(2) . . . . ?
B7 B11 B12 B9 -101.1(3) . . . . ?
B7 B11 B12 B10 -139.5(3) . . . . ?
B8 B4 B5 C1 100.9(2) . . . . ?
B8 B4 B5 B6 65.1(3) . . . . ?
B8 B4 B5 B9 -35.3(2) . . . . ?
B8 B4 B5 B10 2.3(3) . . . . ?
B8 B4 B9 B5 139.6(2) . . . . ?
B8 B4 B9 B10 101.9(3) . . . . ?
B8 B4 B9 B12 38.6(2) . . . . ?
B8 B7 B11 C2 -96.3(2) . . . . ?
B8 B7 B11 B6 -62.7(3) . . . . ?
B8 B7 B11 B10 1.0(3) . . . . ?
B8 B7 B11 B12 37.3(2) . . . . ?
B8 B7 B12 B9 -38.2(2) . . . . ?
B8 B7 B12 B10 -101.4(3) . . . . ?
B8 B7 B12 B11 -137.8(3) . . . . ?
B8 B9 B10 B5 103.1(2) . . . . ?
B8 B9 B10 B6 66.1(3) . . . . ?
B8 B9 B10 B11 3.3(3) . . . . ?
B8 B9 B10 B12 -35.4(2) . . . . ?
B8 B9 B12 B7 39.0(2) . . . . ?
B8 B9 B12 B10 140.7(2) . . . . ?
B8 B9 B12 B11 102.1(2) . . . . ?
B9 B4 B5 C1 136.3(2) . . . . ?
B9 B4 B5 B6 100.4(3) . . . . ?
B9 B4 B5 B10 37.7(2) . . . . ?
B9 B4 B8 Co3 -150.3(2) . . . . ?
B9 B4 B8 B7 -101.1(2) . . . . ?
B9 B4 B8 B12 -38.8(2) . . . . ?
B9 B5 B6 C1 99.3(2) . . . . ?
B9 B5 B6 C2 63.7(3) . . . . ?
B9 B5 B6 B10 -36.9(2) . . . . ?
B9 B5 B6 B11 2.1(3) . . . . ?
B9 B5 B10 B6 138.8(2) . . . . ?
B9 B5 B10 B11 100.9(2) . . . . ?
B9 B5 B10 B12 37.4(2) . . . . ?
B9 B8 B12 B7 -136.8(2) . . . . ?
B9 B8 B12 B10 -35.3(2) . . . . ?
B9 B8 B12 B11 -99.0(3) . . . . ?
B9 B10 B11 C2 60.3(3) . . . . ?
B9 B10 B11 B6 101.1(2) . . . . ?
B9 B10 B11 B7 -2.6(3) . . . . ?
B9 B10 B11 B12 -39.0(2) . . . . ?
B9 B10 B12 B7 100.1(3) . . . . ?
B9 B10 B12 B8 35.1(2) . . . . ?
B9 B10 B12 B11 136.5(2) . . . . ?
B10 B5 B6 C1 136.2(2) . . . . ?
B10 B5 B6 C2 100.6(2) . . . . ?
B10 B5 B6 B11 39.0(2) . . . . ?
B10 B5 B9 B4 -138.1(2) . . . . ?
B10 B5 B9 B8 -100.7(3) . . . . ?
B10 B5 B9 B12 -36.9(2) . . . . ?
B10 B6 B11 C2 133.3(2) . . . . ?
B10 B6 B11 B7 99.9(3) . . . . ?
B10 B6 B11 B12 35.8(2) . . . . ?
B10 B9 B12 B7 -101.6(2) . . . . ?
B10 B9 B12 B8 -140.7(2) . . . . ?
B10 B9 B12 B11 -38.5(2) . . . . ?
B10 B11 B12 B7 139.5(3) . . . . ?
B10 B11 B12 B8 101.1(3) . . . . ?
B10 B11 B12 B9 38.4(2) . . . . ?
B11 C2 B6 C1 -141.0(2) . . . . ?
B11 C2 B6 B5 -103.9(2) . . . . ?
B11 C2 B6 B10 -41.3(2) . . . . ?
B11 C2 B7 Co3 154.7(2) . . . . ?
B11 C2 B7 B8 101.9(2) . . . . ?
B11 C2 B7 B12 40.4(2) . . . . ?
B11 B6 B10 B5 -137.0(2) . . . . ?
B11 B6 B10 B9 -100.2(3) . . . . ?
B11 B6 B10 B12 -35.9(2) . . . . ?
B11 B7 B8 Co3 113.4(2) . . . . ?
B11 B7 B8 B4 63.9(3) . . . . ?
B11 B7 B8 B9 1.1(3) . . . . ?
B11 B7 B8 B12 -37.6(2) . . . . ?
B11 B7 B12 B8 137.8(3) . . . . ?
B11 B7 B12 B9 99.6(3) . . . . ?
B11 B7 B12 B10 36.4(2) . . . . ?
B11 B10 B12 B7 -36.4(2) . . . . ?
B11 B10 B12 B8 -101.4(2) . . . . ?
B11 B10 B12 B9 -136.5(2) . . . . ?
B12 B7 B8 Co3 150.9(2) . . . . ?
B12 B7 B8 B4 101.5(2) . . . . ?
B12 B7 B8 B9 38.6(2) . . . . ?
B12 B7 B11 C2 -133.6(3) . . . . ?
B12 B7 B11 B6 -100.0(3) . . . . ?
B12 B7 B11 B10 -36.3(2) . . . . ?
B12 B8 B9 B4 136.7(2) . . . . ?
B12 B8 B9 B5 99.7(3) . . . . ?
B12 B8 B9 B10 35.3(2) . . . . ?
B12 B9 B10 B5 138.6(2) . . . . ?
B12 B9 B10 B6 101.5(3) . . . . ?
B12 B9 B10 B11 38.8(2) . . . . ?
B12 B10 B11 C2 99.3(2) . . . . ?
B12 B10 B11 B6 140.2(2) . . . . ?
B12 B10 B11 B7 36.4(2) . . . . ?
C31 C32 C33 Co3 61.2(2) . . . . ?
C31 C32 C33 C34 -0.7(4) . . . . ?
C32 C31 C35 Co3 -60.2(2) . . . . ?
C32 C31 C35 C34 -2.1(3) . . . . ?
C32 C33 C34 Co3 60.8(2) . . . . ?
C32 C33 C34 C35 -0.6(3) . . . . ?
C33 C34 C35 Co3 59.3(2) . . . . ?
C33 C34 C35 C31 1.7(3) . . . . ?
C35 C31 C32 Co3 62.2(2) . . . . ?
C35 C31 C32 C33 1.8(3) . . . . ?
C1' B3' B4' B5' -34.6(2) . . . . ?
C1' B3' B4' C8' -133.8(2) . . . . ?
C1' B3' B4' B9' -98.2(2) . . . . ?
C1' B3' B7' Co2' -51.18(16) . . . . ?
C1' B3' B7' C8' 94.8(2) . . . . ?
C1' B3' B7' B11' -2.5(3) . . . . ?
C1' B3' B7' B12' 59.8(2) . . . . ?
C1' B3' C8' C1 148.2(2) . . . . ?
C1' B3' C8' B4' 38.55(19) . . . . ?
C1' B3' C8' B7' -102.2(2) . . . . ?
C1' B3' C8' B9' 1.0(3) . . . . ?
C1' B3' C8' B12' -65.4(3) . . . . ?
C1' B4' B5' B6' -34.4(2) . . . . ?
C1' B4' B5' B9' -135.1(2) . . . . ?
C1' B4' B5' B10' -97.8(2) . . . . ?
C1' B4' C8' C1 -152.0(2) . . . . ?
C1' B4' C8' B3' -39.3(2) . . . . ?
C1' B4' C8' B7' -1.5(3) . . . . ?
C1' B4' C8' B9' 101.0(2) . . . . ?
C1' B4' C8' B12' 64.7(3) . . . . ?
C1' B4' B9' B5' 39.4(2) . . . . ?
C1' B4' B9' C8' -96.6(2) . . . . ?
C1' B4' B9' B10' 2.2(3) . . . . ?
C1' B4' B9' B12' -61.5(3) . . . . ?
C1' B5' B6' Co2' -27.5(2) . . . . ?
C1' B5' B6' B10' -135.2(2) . . . . ?
C1' B5' B6' B11' -97.9(2) . . . . ?
C1' B5' B9' B4' -38.61(19) . . . . ?
C1' B5' B9' C8' -0.7(3) . . . . ?
C1' B5' B9' B10' 99.9(2) . . . . ?
C1' B5' B9' B12' 62.0(3) . . . . ?
C1' B5' B10' B6' 39.2(2) . . . . ?
C1' B5' B10' B9' -98.8(2) . . . . ?
C1' B5' B10' B11' 1.5(3) . . . . ?
C1' B5' B10' B12' -61.2(3) . . . . ?
C1' B6' B10' B5' -38.2(2) . . . . ?
C1' B6' B10' B9' -0.7(3) . . . . ?
C1' B6' B10' B11' 100.1(2) . . . . ?
C1' B6' B10' B12' 62.7(3) . . . . ?
C1' B6' B11' Co2' 50.55(17) . . . . ?
C1' B6' B11' B7' 3.3(3) . . . . ?
C1' B6' B11' B10' -98.0(2) . . . . ?
C1' B6' B11' B12' -60.2(3) . . . . ?
Co2' C25' C21' C22' -59.2(2) . . . . ?
Co2' C25' C24' C23' 59.15(19) . . . . ?
Co2' C1' B3' B4' 152.01(19) . . . . ?
Co2' C1' B3' B7' 51.09(16) . . . . ?
Co2' C1' B3' C8' 113.22(18) . . . . ?
Co2' C1' B4' B3' -30.1(2) . . . . ?
Co2' C1' B4' B5' 111.2(2) . . . . ?
Co2' C1' B4' C8' 9.3(3) . . . . ?
Co2' C1' B4' B9' 71.6(3) . . . . ?
Co2' C1' B5' B4' -112.3(2) . . . . ?
Co2' C1' B5' B6' 29.3(2) . . . . ?
Co2' C1' B5' B9' -72.8(2) . . . . ?
Co2' C1' B5' B10' -10.1(3) . . . . ?
Co2' C1' B6' B5' -152.6(2) . . . . ?
Co2' C1' B6' B10' -113.8(2) . . . . ?
Co2' C1' B6' B11' -51.16(17) . . . . ?
Co2' B3' B4' C1' 28.42(19) . . . . ?
Co2' B3' B4' B5' -6.2(3) . . . . ?
Co2' B3' B4' C8' -105.4(2) . . . . ?
Co2' B3' B4' B9' -69.8(3) . . . . ?
Co2' B3' B7' C8' 146.00(19) . . . . ?
Co2' B3' B7' B11' 48.67(17) . . . . ?
Co2' B3' B7' B12' 111.0(2) . . . . ?
Co2' B3' C8' C1 -143.8(2) . . . . ?
Co2' B3' C8' B4' 106.5(2) . . . . ?
Co2' B3' C8' B7' -34.28(19) . . . . ?
Co2' B3' C8' B9' 68.9(3) . . . . ?
Co2' B3' C8' B12' 2.5(3) . . . . ?
Co2' B6' B10' B5' -106.1(2) . . . . ?
Co2' B6' B10' B9' -68.6(3) . . . . ?
Co2' B6' B10' B11' 32.2(2) . . . . ?
Co2' B6' B10' B12' -5.2(3) . . . . ?
Co2' B6' B11' B7' -47.27(17) . . . . ?
Co2' B6' B11' B10' -148.52(19) . . . . ?
Co2' B6' B11' B12' -110.7(2) . . . . ?
Co2' B7' C8' C1 144.6(2) . . . . ?
Co2' B7' C8' B3' 32.33(18) . . . . ?
Co2' B7' C8' B4' -5.8(3) . . . . ?
Co2' B7' C8' B9' -73.1(3) . . . . ?
Co2' B7' C8' B12' -107.9(2) . . . . ?
Co2' B7' B11' B6' 46.90(17) . . . . ?
Co2' B7' B11' B10' 109.7(2) . . . . ?
Co2' B7' B11' B12' 146.8(2) . . . . ?
Co2' B7' B12' C8' 101.3(2) . . . . ?
Co2' B7' B12' B9' 67.7(2) . . . . ?
Co2' B7' B12' B10' 4.1(3) . . . . ?
Co2' B7' B12' B11' -33.34(19) . . . . ?
Co2' B11' B12' B7' 33.1(2) . . . . ?
Co2' B11' B12' C8' -6.9(3) . . . . ?
Co2' B11' B12' B9' -69.2(3) . . . . ?
Co2' B11' B12' B10' -105.6(2) . . . . ?
Co2' C21' C22' C23' -60.1(2) . . . . ?
Co2' C22' C23' C24' -60.62(19) . . . . ?
Co2' C23' C24' C25' -59.80(19) . . . . ?
B3' C1' B4' B5' 141.2(2) . . . . ?
B3' C1' B4' C8' 39.3(2) . . . . ?
B3' C1' B4' B9' 101.7(2) . . . . ?
B3' C1' B5' B4' -38.0(2) . . . . ?
B3' C1' B5' B6' 103.5(2) . . . . ?
B3' C1' B5' B9' 1.5(3) . . . . ?
B3' C1' B5' B10' 64.2(3) . . . . ?
B3' C1' B6' Co2' 46.05(18) . . . . ?
B3' C1' B6' B5' -106.6(2) . . . . ?
B3' C1' B6' B10' -67.7(3) . . . . ?
B3' C1' B6' B11' -5.1(3) . . . . ?
B3' B4' B5' C1' 34.2(2) . . . . ?
B3' B4' B5' B6' -0.2(3) . . . . ?
B3' B4' B5' B9' -100.9(2) . . . . ?
B3' B4' B5' B10' -63.6(3) . . . . ?
B3' B4' C8' C1 -112.7(3) . . . . ?
B3' B4' C8' B7' 37.8(2) . . . . ?
B3' B4' C8' B9' 140.3(2) . . . . ?
B3' B4' C8' B12' 104.0(2) . . . . ?
B3' B4' B9' B5' 100.9(2) . . . . ?
B3' B4' B9' C8' -35.02(19) . . . . ?
B3' B4' B9' B10' 63.8(3) . . . . ?
B3' B4' B9' B12' 0.0(3) . . . . ?
B3' B7' C8' C1 112.3(3) . . . . ?
B3' B7' C8' B4' -38.1(2) . . . . ?
B3' B7' C8' B9' -105.4(2) . . . . ?
B3' B7' C8' B12' -140.2(2) . . . . ?
B3' B7' B11' Co2' -47.42(16) . . . . ?
B3' B7' B11' B6' -0.5(3) . . . . ?
B3' B7' B11' B10' 62.3(3) . . . . ?
B3' B7' B11' B12' 99.4(2) . . . . ?
B3' B7' B12' C8' 34.29(19) . . . . ?
B3' B7' B12' B9' 0.8(3) . . . . ?
B3' B7' B12' B10' -62.8(3) . . . . ?
B3' B7' B12' B11' -100.3(2) . . . . ?
B3' C8' B9' B4' 38.3(2) . . . . ?
B3' C8' B9' B5' -0.2(3) . . . . ?
B3' C8' B9' B10' -62.8(3) . . . . ?
B3' C8' B9' B12' -102.6(2) . . . . ?
B3' C8' B12' B7' -37.5(2) . . . . ?
B3' C8' B12' B9' 105.2(2) . . . . ?
B3' C8' B12' B10' 66.0(3) . . . . ?
B3' C8' B12' B11' 2.7(3) . . . . ?
B4' C1' B3' Co2' -152.01(19) . . . . ?
B4' C1' B3' B7' -100.9(2) . . . . ?
B4' C1' B3' C8' -38.79(19) . . . . ?
B4' C1' B5' B6' 141.6(2) . . . . ?
B4' C1' B5' B9' 39.5(2) . . . . ?
B4' C1' B5' B10' 102.2(2) . . . . ?
B4' C1' B6' Co2' 116.0(2) . . . . ?
B4' C1' B6' B5' -36.6(2) . . . . ?
B4' C1' B6' B10' 2.2(3) . . . . ?
B4' C1' B6' B11' 64.8(3) . . . . ?
B4' B3' B7' Co2' -111.72(19) . . . . ?
B4' B3' B7' C8' 34.29(19) . . . . ?
B4' B3' B7' B11' -63.0(2) . . . . ?
B4' B3' B7' B12' -0.8(3) . . . . ?
B4' B3' C8' C1 109.7(3) . . . . ?
B4' B3' C8' B7' -140.8(2) . . . . ?
B4' B3' C8' B9' -37.6(2) . . . . ?
B4' B3' C8' B12' -104.0(2) . . . . ?
B4' B5' B6' C1' 33.9(2) . . . . ?
B4' B5' B6' Co2' 6.4(3) . . . . ?
B4' B5' B6' B10' -101.3(3) . . . . ?
B4' B5' B6' B11' -64.0(3) . . . . ?
B4' B5' B9' C8' 37.9(2) . . . . ?
B4' B5' B9' B10' 138.5(2) . . . . ?
B4' B5' B9' B12' 100.6(2) . . . . ?
B4' B5' B10' B6' 100.7(2) . . . . ?
B4' B5' B10' B9' -37.4(2) . . . . ?
B4' B5' B10' B11' 62.9(3) . . . . ?
B4' B5' B10' B12' 0.2(3) . . . . ?
B4' C8' B9' B5' -38.5(2) . . . . ?
B4' C8' B9' B10' -101.1(2) . . . . ?
B4' C8' B9' B12' -140.9(2) . . . . ?
B4' C8' B12' B7' -106.1(2) . . . . ?
B4' C8' B12' B9' 36.5(2) . . . . ?
B4' C8' B12' B10' -2.6(3) . . . . ?
B4' C8' B12' B11' -65.9(3) . . . . ?
B4' B9' B10' B5' 36.9(2) . . . . ?
B4' B9' B10' B6' -0.9(3) . . . . ?
B4' B9' B10' B11' -65.0(3) . . . . ?
B4' B9' B10' B12' -101.0(2) . . . . ?
B4' B9' B12' B7' -0.5(3) . . . . ?
B4' B9' B12' C8' -34.38(19) . . . . ?
B4' B9' B12' B10' 100.7(2) . . . . ?
B4' B9' B12' B11' 64.0(3) . . . . ?
B5' C1' B3' Co2' -114.7(2) . . . . ?
B5' C1' B3' B4' 37.3(2) . . . . ?
B5' C1' B3' B7' -63.6(3) . . . . ?
B5' C1' B3' C8' -1.5(3) . . . . ?
B5' C1' B4' B3' -141.2(2) . . . . ?
B5' C1' B4' C8' -101.9(2) . . . . ?
B5' C1' B4' B9' -39.6(2) . . . . ?
B5' C1' B6' Co2' 152.63(19) . . . . ?
B5' C1' B6' B10' 38.8(2) . . . . ?
B5' C1' B6' B11' 101.5(2) . . . . ?
B5' B4' C8' C1 146.1(2) . . . . ?
B5' B4' C8' B3' -101.2(2) . . . . ?
B5' B4' C8' B7' -63.5(3) . . . . ?
B5' B4' C8' B9' 39.1(2) . . . . ?
B5' B4' C8' B12' 2.8(3) . . . . ?
B5' B4' B9' C8' -135.9(2) . . . . ?
B5' B4' B9' B10' -37.1(2) . . . . ?
B5' B4' B9' B12' -100.9(2) . . . . ?
B5' B6' B10' B9' 37.5(2) . . . . ?
B5' B6' B10' B11' 138.3(2) . . . . ?
B5' B6' B10' B12' 100.9(2) . . . . ?
B5' B6' B11' Co2' 111.5(2) . . . . ?
B5' B6' B11' B7' 64.2(3) . . . . ?
B5' B6' B11' B10' -37.0(2) . . . . ?
B5' B6' B11' B12' 0.8(3) . . . . ?
B5' B9' B10' B6' -37.9(2) . . . . ?
B5' B9' B10' B11' -101.9(2) . . . . ?
B5' B9' B10' B12' -137.9(2) . . . . ?
B5' B9' B12' B7' -63.5(3) . . . . ?
B5' B9' B12' C8' -97.4(2) . . . . ?
B5' B9' B12' B10' 37.7(2) . . . . ?
B5' B9' B12' B11' 0.9(3) . . . . ?
B5' B10' B11' Co2' 6.8(3) . . . . ?
B5' B10' B11' B6' 37.8(2) . . . . ?
B5' B10' B11' B7' -62.6(3) . . . . ?
B5' B10' B11' B12' -99.8(2) . . . . ?
B5' B10' B12' B7' 64.5(3) . . . . ?
B5' B10' B12' C8' 1.4(3) . . . . ?
B5' B10' B12' B9' -37.5(2) . . . . ?
B5' B10' B12' B11' 101.9(2) . . . . ?
B6' C1' B3' Co2' -46.28(18) . . . . ?
B6' C1' B3' B4' 105.7(2) . . . . ?
B6' C1' B3' B7' 4.8(3) . . . . ?
B6' C1' B3' C8' 66.9(2) . . . . ?
B6' C1' B4' B3' -104.5(3) . . . . ?
B6' C1' B4' B5' 36.7(2) . . . . ?
B6' C1' B4' C8' -65.2(3) . . . . ?
B6' C1' B4' B9' -2.8(3) . . . . ?
B6' C1' B5' B4' -141.6(2) . . . . ?
B6' C1' B5' B9' -102.1(2) . . . . ?
B6' C1' B5' B10' -39.3(2) . . . . ?
B6' B5' B9' B4' -101.1(2) . . . . ?
B6' B5' B9' C8' -63.2(3) . . . . ?
B6' B5' B9' B10' 37.4(2) . . . . ?
B6' B5' B9' B12' -0.4(3) . . . . ?
B6' B5' B10' B9' -138.0(2) . . . . ?
B6' B5' B10' B11' -37.7(2) . . . . ?
B6' B5' B10' B12' -100.5(2) . . . . ?
B6' B10' B11' Co2' -31.07(19) . . . . ?
B6' B10' B11' B7' -100.5(2) . . . . ?
B6' B10' B11' B12' -137.6(2) . . . . ?
B6' B10' B12' B7' 0.5(3) . . . . ?
B6' B10' B12' C8' -62.6(3) . . . . ?
B6' B10' B12' B9' -101.5(2) . . . . ?
B6' B10' B12' B11' 38.0(2) . . . . ?
B6' B11' B12' B7' 101.3(2) . . . . ?
B6' B11' B12' C8' 61.3(3) . . . . ?
B6' B11' B12' B9' -1.0(3) . . . . ?
B6' B11' B12' B10' -37.4(2) . . . . ?
B7' B3' B4' C1' 98.7(2) . . . . ?
B7' B3' B4' B5' 64.0(3) . . . . ?
B7' B3' B4' C8' -35.14(19) . . . . ?
B7' B3' B4' B9' 0.5(3) . . . . ?
B7' B3' C8' C1 -109.5(3) . . . . ?
B7' B3' C8' B4' 140.8(2) . . . . ?
B7' B3' C8' B9' 103.2(2) . . . . ?
B7' B3' C8' B12' 36.8(2) . . . . ?
B7' C8' B9' B4' 106.3(2) . . . . ?
B7' C8' B9' B5' 67.8(3) . . . . ?
B7' C8' B9' B10' 5.2(3) . . . . ?
B7' C8' B9' B12' -34.6(2) . . . . ?
B7' C8' B12' B9' 142.7(2) . . . . ?
B7' C8' B12' B10' 103.5(2) . . . . ?
B7' C8' B12' B11' 40.2(2) . . . . ?
B7' B11' B12' C8' -40.0(2) . . . . ?
B7' B11' B12' B9' -102.4(2) . . . . ?
B7' B11' B12' B10' -138.7(2) . . . . ?
C8' C1 C2 Co3 -109.4(2) . . . . ?
C8' C1 C2 B6 97.4(3) . . . . ?
C8' C1 C2 B7 -158.8(2) . . . . ?
C8' C1 C2 B11 133.7(2) . . . . ?
C8' C1 B4 Co3 108.2(3) . . . . ?
C8' C1 B4 B5 -101.2(3) . . . . ?
C8' C1 B4 B8 159.6(2) . . . . ?
C8' C1 B4 B9 -138.9(3) . . . . ?
C8' C1 B5 B4 119.0(3) . . . . ?
C8' C1 B5 B6 -100.7(2) . . . . ?
C8' C1 B5 B9 157.9(2) . . . . ?
C8' C1 B5 B10 -139.1(2) . . . . ?
C8' C1 B6 C2 -116.1(2) . . . . ?
C8' C1 B6 B5 107.1(2) . . . . ?
C8' C1 B6 B10 146.0(2) . . . . ?
C8' C1 B6 B11 -150.2(2) . . . . ?
C8' B3' B4' C1' 133.8(2) . . . . ?
C8' B3' B4' B5' 99.2(2) . . . . ?
C8' B3' B4' B9' 35.6(2) . . . . ?
C8' B3' B7' Co2' -146.00(19) . . . . ?
C8' B3' B7' B11' -97.3(2) . . . . ?
C8' B3' B7' B12' -35.0(2) . . . . ?
C8' B4' B5' C1' 96.0(2) . . . . ?
C8' B4' B5' B6' 61.6(3) . . . . ?
C8' B4' B5' B9' -39.1(2) . . . . ?
C8' B4' B5' B10' -1.8(3) . . . . ?
C8' B4' B9' B5' 135.9(2) . . . . ?
C8' B4' B9' B10' 98.8(2) . . . . ?
C8' B4' B9' B12' 35.01(19) . . . . ?
C8' B7' B11' Co2' -107.50(19) . . . . ?
C8' B7' B11' B6' -60.6(3) . . . . ?
C8' B7' B11' B10' 2.2(3) . . . . ?
C8' B7' B11' B12' 39.4(2) . . . . ?
C8' B7' B12' B9' -33.5(2) . . . . ?
C8' B7' B12' B10' -97.1(2) . . . . ?
C8' B7' B12' B11' -134.6(2) . . . . ?
C8' B9' B10' B5' 98.3(2) . . . . ?
C8' B9' B10' B6' 60.4(3) . . . . ?
C8' B9' B10' B11' -3.6(3) . . . . ?
C8' B9' B10' B12' -39.6(2) . . . . ?
C8' B9' B12' B7' 33.9(2) . . . . ?
C8' B9' B12' B10' 135.1(2) . . . . ?
C8' B9' B12' B11' 98.3(2) . . . . ?
B9' B4' B5' C1' 135.1(2) . . . . ?
B9' B4' B5' B6' 100.7(3) . . . . ?
B9' B4' B5' B10' 37.3(2) . . . . ?
B9' B4' C8' C1 107.0(3) . . . . ?
B9' B4' C8' B3' -140.3(2) . . . . ?
B9' B4' C8' B7' -102.6(2) . . . . ?
B9' B4' C8' B12' -36.3(2) . . . . ?
B9' B5' B6' C1' 97.6(2) . . . . ?
B9' B5' B6' Co2' 70.2(3) . . . . ?
B9' B5' B6' B10' -37.5(2) . . . . ?
B9' B5' B6' B11' -0.2(3) . . . . ?
B9' B5' B10' B6' 138.0(2) . . . . ?
B9' B5' B10' B11' 100.3(2) . . . . ?
B9' B5' B10' B12' 37.6(2) . . . . ?
B9' C8' B12' B7' -142.7(2) . . . . ?
B9' C8' B12' B10' -39.2(2) . . . . ?
B9' C8' B12' B11' -102.5(2) . . . . ?
B9' B10' B11' Co2' 70.2(3) . . . . ?
B9' B10' B11' B6' 101.3(2) . . . . ?
B9' B10' B11' B7' 0.8(3) . . . . ?
B9' B10' B11' B12' -36.3(2) . . . . ?
B9' B10' B12' B7' 102.0(2) . . . . ?
B9' B10' B12' C8' 38.9(2) . . . . ?
B9' B10' B12' B11' 139.4(2) . . . . ?
B10' B5' B6' C1' 135.2(2) . . . . ?
B10' B5' B6' Co2' 107.7(2) . . . . ?
B10' B5' B6' B11' 37.3(2) . . . . ?
B10' B5' B9' B4' -138.5(2) . . . . ?
B10' B5' B9' C8' -100.6(2) . . . . ?
B10' B5' B9' B12' -37.8(2) . . . . ?
B10' B6' B11' Co2' 148.52(19) . . . . ?
B10' B6' B11' B7' 101.2(2) . . . . ?
B10' B6' B11' B12' 37.8(2) . . . . ?
B10' B9' B12' B7' -101.2(2) . . . . ?
B10' B9' B12' C8' -135.1(2) . . . . ?
B10' B9' B12' B11' -36.8(2) . . . . ?
B10' B11' B12' B7' 138.7(2) . . . . ?
B10' B11' B12' C8' 98.7(2) . . . . ?
B10' B11' B12' B9' 36.4(2) . . . . ?
B11' B6' B10' B5' -138.3(2) . . . . ?
B11' B6' B10' B9' -100.8(3) . . . . ?
B11' B6' B10' B12' -37.4(2) . . . . ?
B11' B7' C8' C1 -146.9(2) . . . . ?
B11' B7' C8' B3' 100.8(2) . . . . ?
B11' B7' C8' B4' 62.7(3) . . . . ?
B11' B7' C8' B9' -4.6(3) . . . . ?
B11' B7' C8' B12' -39.4(2) . . . . ?
B11' B7' B12' C8' 134.6(2) . . . . ?
B11' B7' B12' B9' 101.1(2) . . . . ?
B11' B7' B12' B10' 37.5(2) . . . . ?
B11' B10' B12' B7' -37.4(2) . . . . ?
B11' B10' B12' C8' -100.5(2) . . . . ?
B11' B10' B12' B9' -139.4(2) . . . . ?
B12' B7' C8' C1 -107.5(3) . . . . ?
B12' B7' C8' B3' 140.2(2) . . . . ?
B12' B7' C8' B4' 102.1(2) . . . . ?
B12' B7' C8' B9' 34.8(2) . . . . ?
B12' B7' B11' Co2' -146.8(2) . . . . ?
B12' B7' B11' B6' -99.9(2) . . . . ?
B12' B7' B11' B10' -37.1(2) . . . . ?
B12' C8' B9' B4' 140.9(2) . . . . ?
B12' C8' B9' B5' 102.4(2) . . . . ?
B12' C8' B9' B10' 39.8(2) . . . . ?
B12' B9' B10' B5' 137.9(2) . . . . ?
B12' B9' B10' B6' 100.0(3) . . . . ?
B12' B9' B10' B11' 36.0(2) . . . . ?
B12' B10' B11' Co2' 106.5(2) . . . . ?
B12' B10' B11' B6' 137.6(2) . . . . ?
B12' B10' B11' B7' 37.1(2) . . . . ?
C21' C25' C24' Co2' -58.8(2) . . . . ?
C21' C25' C24' C23' 0.3(3) . . . . ?
C21' C22' C23' Co2' 60.41(19) . . . . ?
C21' C22' C23' C24' -0.2(3) . . . . ?
C22' C23' C24' C25' -0.1(3) . . . . ?
C22' C23' C24' Co2' 59.75(19) . . . . ?
C24' C25' C21' Co2' 58.8(2) . . . . ?
C24' C25' C21' C22' -0.4(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.8267(7)
2 0.1733(7)

####################################################################### 
# 
# 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_x83132
_database_code_depnum_ccdc_archive 'CCDC 1516775'
_audit_update_record             
;
2016-11-11 deposited with the CCDC.
2016-12-19 downloaded from the CCDC.
;
_audit_creation_date             2016-10-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C14 H30 B18 Co2'
_chemical_formula_sum            'C14 H30 B18 Co2'
_chemical_formula_weight         510.82
_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.6962(13)
_cell_length_b                   15.9743(17)
_cell_length_c                   12.9143(13)
_cell_angle_alpha                90
_cell_angle_beta                 109.935(4)
_cell_angle_gamma                90
_cell_volume                     2268.3(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4942
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.672
_cell_measurement_theta_min      2.550
_shelx_estimated_absorpt_T_max   0.944
_shelx_estimated_absorpt_T_min   0.394
_exptl_absorpt_coefficient_mu    1.467
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.4124
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1300 before and 0.0839 after correction.
The Ratio of minimum to maximum transmission is 0.5533.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.78
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0757
_diffrn_reflns_av_unetI/netI     0.0653
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            19160
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.991
_diffrn_reflns_theta_min         2.249
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_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         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3399
_reflns_number_total             4434
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.032
_refine_diff_density_min         -1.037
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         4434
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0457
_refine_ls_restrained_S_all      1.014
_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)+(0.0723P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1105
_refine_ls_wR_factor_ref         0.1222
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
2. Rigid bond restraints
 C31, C32, C33, C34, C35
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C32 \\sim C34 \\sim C35: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08
Uanis(C32) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4.a Ternary CH refined with riding coordinates:
 C31(H31), C32(H32), C33(H33), C34(H34), C35(H35), C21'(H21'), C22'(H22'),
 C23'(H23'), C24'(H24'), C25'(H25')
;
_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 0.0064(3) 0.31257(18) 0.1540(3) 0.0150(7) Uani 1 1 d . . . . .
C2 C -0.0898(3) 0.30743(19) 0.0263(3) 0.0193(7) Uani 1 1 d . . . . .
H2 H -0.055(3) 0.295(2) -0.026(3) 0.023 Uiso 1 1 d R . . . .
Co3 Co -0.09857(4) 0.20111(2) 0.11073(4) 0.01613(15) Uani 1 1 d . . . . .
B4 B -0.0727(4) 0.2829(2) 0.2405(3) 0.0178(8) Uani 1 1 d . . . . .
H4 H -0.021(3) 0.257(2) 0.320(3) 0.021 Uiso 1 1 d R . . . .
B5 B -0.0405(4) 0.3914(2) 0.2218(3) 0.0185(8) Uani 1 1 d . . . . .
H5 H 0.035(3) 0.425(2) 0.284(3) 0.022 Uiso 1 1 d R . . . .
B6 B -0.0510(4) 0.4062(2) 0.0839(3) 0.0205(8) Uani 1 1 d . . . . .
H6 H 0.007(3) 0.444(2) 0.055(3) 0.025 Uiso 1 1 d R . . . .
B7 B -0.2362(4) 0.2778(2) 0.0140(4) 0.0221(9) Uani 1 1 d . . . . .
H7 H -0.298(3) 0.248(2) -0.061(3) 0.027 Uiso 1 1 d R . . . .
B8 B -0.2310(4) 0.2646(2) 0.1544(4) 0.0208(9) Uani 1 1 d . . . . .
H8 H -0.295(3) 0.222(2) 0.179(3) 0.025 Uiso 1 1 d R . . . .
B9 B -0.1866(4) 0.3628(2) 0.2210(3) 0.0199(8) Uani 1 1 d . . . . .
H9 H -0.214(3) 0.378(2) 0.288(3) 0.024 Uiso 1 1 d R . . . .
B10 B -0.1724(4) 0.4376(2) 0.1245(3) 0.0202(8) Uani 1 1 d . . . . .
H10 H -0.191(3) 0.497(2) 0.128(3) 0.024 Uiso 1 1 d R . . . .
B11 B -0.1989(4) 0.3844(2) -0.0020(3) 0.0223(9) Uani 1 1 d . . . . .
H11 H -0.224(3) 0.412(2) -0.084(3) 0.027 Uiso 1 1 d R . . . .
B12 B -0.2874(4) 0.3591(2) 0.0820(3) 0.0217(9) Uani 1 1 d . . . . .
H12 H -0.380(3) 0.374(2) 0.057(3) 0.026 Uiso 1 1 d R . . . .
C31 C -0.0685(3) 0.10122(19) 0.0183(3) 0.0219(8) Uani 1 1 d . U . . .
H31 H -0.0479 0.1060 -0.0505 0.026 Uiso 1 1 calc R . . . .
C32 C 0.0159(3) 0.09582(18) 0.1269(3) 0.0203(7) Uani 1 1 d . U . . .
H32 H 0.1064 0.0973 0.1480 0.024 Uiso 1 1 calc R . . . .
C33 C -0.0497(3) 0.09194(19) 0.2010(3) 0.0252(8) Uani 1 1 d . U . . .
H33 H -0.0141 0.0875 0.2830 0.030 Uiso 1 1 calc R . . . .
C34 C -0.1756(3) 0.09139(19) 0.1367(3) 0.0262(8) Uani 1 1 d . U . . .
H34 H -0.2443 0.0863 0.1659 0.031 Uiso 1 1 calc R . . . .
C35 C -0.1870(3) 0.09839(19) 0.0242(3) 0.0230(8) Uani 1 1 d . U . . .
H35 H -0.2649 0.0991 -0.0398 0.028 Uiso 1 1 calc R . . . .
C1' C 0.3288(3) 0.2882(2) 0.1017(3) 0.0196(7) Uani 1 1 d . . . . .
H1' H 0.356(3) 0.277(2) 0.025(3) 0.023 Uiso 1 1 d R . . . .
Co2' Co 0.36733(4) 0.18577(2) 0.19947(4) 0.01554(15) Uani 1 1 d . . . . .
B3' B 0.2054(4) 0.2364(2) 0.1102(3) 0.0165(8) Uani 1 1 d . . . . .
H3' H 0.141(3) 0.206(2) 0.043(3) 0.020 Uiso 1 1 d R . . . .
B4' B 0.2026(4) 0.3461(2) 0.0816(3) 0.0177(8) Uani 1 1 d . . . . .
H4' H 0.144(3) 0.364(2) 0.004(3) 0.021 Uiso 1 1 d R . . . .
B5' B 0.3467(4) 0.3882(2) 0.1533(4) 0.0211(9) Uani 1 1 d . . . . .
H5' H 0.373(3) 0.434(2) 0.108(3) 0.025 Uiso 1 1 d R . . . .
B6' B 0.4419(4) 0.3043(2) 0.2269(3) 0.0194(8) Uani 1 1 d . . . . .
H6' H 0.539(3) 0.311(2) 0.234(3) 0.023 Uiso 1 1 d R . . . .
B7' B 0.2314(3) 0.2245(2) 0.2574(3) 0.0166(8) Uani 1 1 d . . . . .
H7' H 0.183(3) 0.181(2) 0.292(3) 0.020 Uiso 1 1 d R . . . .
C8' C 0.1458(3) 0.30742(18) 0.1790(3) 0.0157(7) Uani 1 1 d . . . . .
B9' B 0.2283(4) 0.4017(2) 0.2060(3) 0.0196(8) Uani 1 1 d . . . . .
H9' H 0.182(3) 0.462(2) 0.205(3) 0.023 Uiso 1 1 d R . . . .
B10' B 0.3756(4) 0.3764(2) 0.2958(4) 0.0219(9) Uani 1 1 d . . . . .
H10' H 0.431(3) 0.423(2) 0.355(3) 0.026 Uiso 1 1 d R . . . .
B11' B 0.3784(4) 0.2667(2) 0.3284(3) 0.0183(8) Uani 1 1 d . . . . .
H11' H 0.437(3) 0.248(2) 0.413(3) 0.022 Uiso 1 1 d R . . . .
B12' B 0.2445(4) 0.3273(2) 0.3116(3) 0.0179(8) Uani 1 1 d . . . . .
H12' H 0.211(3) 0.342(2) 0.377(3) 0.021 Uiso 1 1 d R . . . .
C21' C 0.3610(3) 0.0787(2) 0.1078(3) 0.0247(8) Uani 1 1 d . . . . .
H21' H 0.3003 0.0665 0.0334 0.030 Uiso 1 1 calc R . . . .
C22' C 0.3493(3) 0.05749(19) 0.2099(3) 0.0247(8) Uani 1 1 d . . . . .
H22' H 0.2792 0.0275 0.2208 0.030 Uiso 1 1 calc R . . . .
C23' C 0.4553(3) 0.0866(2) 0.2945(3) 0.0269(8) Uani 1 1 d . . . . .
H23' H 0.4731 0.0803 0.3756 0.032 Uiso 1 1 calc R . . . .
C24' C 0.5319(3) 0.12514(19) 0.2442(3) 0.0235(8) Uani 1 1 d . . . . .
H24' H 0.6133 0.1507 0.2833 0.028 Uiso 1 1 calc R . . . .
C25' C 0.4737(3) 0.12008(19) 0.1289(3) 0.0239(8) Uani 1 1 d . . . . .
H25' H 0.5064 0.1420 0.0721 0.029 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 1.651(5) . ?
C1 Co3 2.127(3) . ?
C1 B4 1.742(5) . ?
C1 B5 1.727(5) . ?
C1 B6 1.758(5) . ?
C1 C8' 1.552(4) . ?
C2 H2 0.92(4) . ?
C2 Co3 2.039(3) . ?
C2 B6 1.736(5) . ?
C2 B7 1.730(5) . ?
C2 B11 1.719(5) . ?
Co3 B4 2.064(4) . ?
Co3 B7 2.069(4) . ?
Co3 B8 2.083(4) . ?
Co3 C31 2.093(3) . ?
Co3 C32 2.115(3) . ?
Co3 C33 2.067(3) . ?
Co3 C34 2.050(3) . ?
Co3 C35 2.055(3) . ?
B4 H4 1.08(3) . ?
B4 B5 1.807(5) . ?
B4 B8 1.830(6) . ?
B4 B9 1.800(5) . ?
B5 H5 1.11(3) . ?
B5 B6 1.760(6) . ?
B5 B9 1.764(5) . ?
B5 B10 1.784(5) . ?
B6 H6 1.07(3) . ?
B6 B10 1.746(6) . ?
B6 B11 1.742(6) . ?
B7 H7 1.10(4) . ?
B7 B8 1.805(6) . ?
B7 B11 1.787(5) . ?
B7 B12 1.782(5) . ?
B8 H8 1.13(3) . ?
B8 B9 1.781(5) . ?
B8 B12 1.780(5) . ?
B9 H9 1.06(3) . ?
B9 B10 1.775(5) . ?
B9 B12 1.782(6) . ?
B10 H10 0.97(3) . ?
B10 B11 1.773(6) . ?
B10 B12 1.784(5) . ?
B11 H11 1.10(3) . ?
B11 B12 1.783(6) . ?
B12 H12 1.05(4) . ?
C31 H31 1.0000 . ?
C31 C32 1.415(5) . ?
C31 C35 1.415(5) . ?
C32 H32 1.0000 . ?
C32 C33 1.417(5) . ?
C33 H33 1.0000 . ?
C33 C34 1.423(5) . ?
C34 H34 1.0000 . ?
C34 C35 1.418(5) . ?
C35 H35 1.0000 . ?
C1' H1' 1.15(3) . ?
C1' Co2' 2.022(3) . ?
C1' B3' 1.699(5) . ?
C1' B4' 1.685(5) . ?
C1' B5' 1.717(5) . ?
C1' B6' 1.724(5) . ?
Co2' B3' 2.020(4) . ?
Co2' B6' 2.064(4) . ?
Co2' B7' 2.069(4) . ?
Co2' B11' 2.077(4) . ?
Co2' C21' 2.067(3) . ?
Co2' C22' 2.069(3) . ?
Co2' C23' 2.053(3) . ?
Co2' C24' 2.054(3) . ?
Co2' C25' 2.062(3) . ?
B3' H3' 1.05(3) . ?
B3' B4' 1.788(5) . ?
B3' B7' 1.830(5) . ?
B3' C8' 1.728(5) . ?
B4' H4' 1.04(3) . ?
B4' B5' 1.757(6) . ?
B4' C8' 1.725(5) . ?
B4' B9' 1.769(5) . ?
B5' H5' 1.05(3) . ?
B5' B6' 1.795(5) . ?
B5' B9' 1.752(5) . ?
B5' B10' 1.764(6) . ?
B6' H6' 1.11(4) . ?
B6' B10' 1.786(5) . ?
B6' B11' 1.814(5) . ?
B7' H7' 1.09(3) . ?
B7' C8' 1.759(5) . ?
B7' B11' 1.782(5) . ?
B7' B12' 1.772(5) . ?
C8' B9' 1.758(5) . ?
C8' B12' 1.737(5) . ?
B9' H9' 1.10(3) . ?
B9' B10' 1.765(6) . ?
B9' B12' 1.769(5) . ?
B10' H10' 1.11(4) . ?
B10' B11' 1.799(5) . ?
B10' B12' 1.794(5) . ?
B11' H11' 1.12(3) . ?
B11' B12' 1.791(5) . ?
B12' H12' 1.07(3) . ?
C21' H21' 1.0000 . ?
C21' C22' 1.413(5) . ?
C21' C25' 1.415(5) . ?
C22' H22' 1.0000 . ?
C22' C23' 1.423(5) . ?
C23' H23' 1.0000 . ?
C23' C24' 1.414(5) . ?
C24' H24' 1.0000 . ?
C24' C25' 1.413(5) . ?
C25' H25' 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 63.89(15) . . ?
C2 C1 B4 107.2(3) . . ?
C2 C1 B5 108.4(2) . . ?
C2 C1 B6 61.1(2) . . ?
B4 C1 Co3 63.58(16) . . ?
B4 C1 B6 111.6(2) . . ?
B5 C1 Co3 119.2(2) . . ?
B5 C1 B4 62.8(2) . . ?
B5 C1 B6 60.6(2) . . ?
B6 C1 Co3 119.4(2) . . ?
C8' C1 C2 121.0(3) . . ?
C8' C1 Co3 118.80(19) . . ?
C8' C1 B4 127.0(3) . . ?
C8' C1 B5 115.2(3) . . ?
C8' C1 B6 110.0(2) . . ?
C1 C2 H2 115(2) . . ?
C1 C2 Co3 69.47(16) . . ?
C1 C2 B6 62.5(2) . . ?
C1 C2 B7 115.0(3) . . ?
C1 C2 B11 112.4(3) . . ?
Co3 C2 H2 109(2) . . ?
B6 C2 H2 113(2) . . ?
B6 C2 Co3 125.5(2) . . ?
B7 C2 H2 123(2) . . ?
B7 C2 Co3 65.98(18) . . ?
B7 C2 B6 113.2(3) . . ?
B11 C2 H2 118(2) . . ?
B11 C2 Co3 122.7(2) . . ?
B11 C2 B6 60.6(2) . . ?
B11 C2 B7 62.4(2) . . ?
C2 Co3 C1 46.64(13) . . ?
C2 Co3 B4 83.49(14) . . ?
C2 Co3 B7 49.81(15) . . ?
C2 Co3 B8 85.22(15) . . ?
C2 Co3 C31 106.36(14) . . ?
C2 Co3 C32 124.73(14) . . ?
C2 Co3 C33 161.71(15) . . ?
C2 Co3 C34 154.74(15) . . ?
C2 Co3 C35 118.82(14) . . ?
B4 Co3 C1 49.10(13) . . ?
B4 Co3 B7 89.08(16) . . ?
B4 Co3 B8 52.35(15) . . ?
B4 Co3 C31 159.85(15) . . ?
B4 Co3 C32 120.69(15) . . ?
B4 Co3 C33 98.06(15) . . ?
B7 Co3 C1 85.62(14) . . ?
B7 Co3 B8 51.54(16) . . ?
B7 Co3 C31 110.78(15) . . ?
B7 Co3 C32 150.04(15) . . ?
B8 Co3 C1 86.43(13) . . ?
B8 Co3 C31 144.11(14) . . ?
B8 Co3 C32 149.78(14) . . ?
C31 Co3 C1 126.44(13) . . ?
C31 Co3 C32 39.30(13) . . ?
C32 Co3 C1 110.52(12) . . ?
C33 Co3 C1 122.31(13) . . ?
C33 Co3 B7 148.06(15) . . ?
C33 Co3 B8 110.24(15) . . ?
C33 Co3 C31 67.06(14) . . ?
C33 Co3 C32 39.60(13) . . ?
C34 Co3 C1 156.85(14) . . ?
C34 Co3 B4 111.04(15) . . ?
C34 Co3 B7 108.07(15) . . ?
C34 Co3 B8 87.86(14) . . ?
C34 Co3 C31 67.05(14) . . ?
C34 Co3 C32 66.59(13) . . ?
C34 Co3 C33 40.43(14) . . ?
C34 Co3 C35 40.40(14) . . ?
C35 Co3 C1 161.79(14) . . ?
C35 Co3 B4 148.65(14) . . ?
C35 Co3 B7 90.04(15) . . ?
C35 Co3 B8 104.63(14) . . ?
C35 Co3 C31 39.87(13) . . ?
C35 Co3 C32 66.62(13) . . ?
C35 Co3 C33 67.92(14) . . ?
C1 B4 Co3 67.32(16) . . ?
C1 B4 H4 117.8(18) . . ?
C1 B4 B5 58.19(19) . . ?
C1 B4 B8 107.6(3) . . ?
C1 B4 B9 104.3(2) . . ?
Co3 B4 H4 113.8(18) . . ?
B5 B4 Co3 118.6(2) . . ?
B5 B4 H4 115.2(18) . . ?
B5 B4 B8 106.6(3) . . ?
B8 B4 Co3 64.36(18) . . ?
B8 B4 H4 129.5(18) . . ?
B9 B4 Co3 116.0(3) . . ?
B9 B4 H4 123.7(18) . . ?
B9 B4 B5 58.6(2) . . ?
B9 B4 B8 58.8(2) . . ?
C1 B5 B4 59.03(19) . . ?
C1 B5 H5 113.6(17) . . ?
C1 B5 B6 60.6(2) . . ?
C1 B5 B9 106.5(3) . . ?
C1 B5 B10 107.0(3) . . ?
B4 B5 H5 121.3(18) . . ?
B6 B5 B4 108.6(3) . . ?
B6 B5 H5 115.2(17) . . ?
B6 B5 B9 107.2(3) . . ?
B6 B5 B10 59.0(2) . . ?
B9 B5 B4 60.5(2) . . ?
B9 B5 H5 131.8(17) . . ?
B9 B5 B10 60.0(2) . . ?
B10 B5 B4 108.8(3) . . ?
B10 B5 H5 126.6(17) . . ?
C1 B6 B5 58.8(2) . . ?
C1 B6 H6 119.0(18) . . ?
C2 B6 C1 56.38(19) . . ?
C2 B6 B5 103.2(3) . . ?
C2 B6 H6 118.0(18) . . ?
C2 B6 B10 105.6(3) . . ?
C2 B6 B11 59.2(2) . . ?
B5 B6 H6 126.7(18) . . ?
B10 B6 C1 107.3(3) . . ?
B10 B6 B5 61.2(2) . . ?
B10 B6 H6 128.4(18) . . ?
B11 B6 C1 106.3(3) . . ?
B11 B6 B5 109.2(3) . . ?
B11 B6 H6 120.1(18) . . ?
B11 B6 B10 61.1(2) . . ?
C2 B7 Co3 64.21(17) . . ?
C2 B7 H7 121.9(17) . . ?
C2 B7 B8 104.3(3) . . ?
C2 B7 B11 58.5(2) . . ?
C2 B7 B12 104.1(3) . . ?
Co3 B7 H7 115.0(19) . . ?
B8 B7 Co3 64.66(18) . . ?
B8 B7 H7 128.7(18) . . ?
B11 B7 Co3 117.6(2) . . ?
B11 B7 H7 114.6(19) . . ?
B11 B7 B8 107.6(3) . . ?
B12 B7 Co3 117.2(3) . . ?
B12 B7 H7 121.1(18) . . ?
B12 B7 B8 59.5(2) . . ?
B12 B7 B11 59.9(2) . . ?
Co3 B8 H8 114.0(18) . . ?
B4 B8 Co3 63.29(17) . . ?
B4 B8 H8 123.5(18) . . ?
B7 B8 Co3 63.81(18) . . ?
B7 B8 B4 105.8(3) . . ?
B7 B8 H8 123.6(18) . . ?
B9 B8 Co3 116.0(2) . . ?
B9 B8 B4 59.8(2) . . ?
B9 B8 B7 106.6(3) . . ?
B9 B8 H8 120.3(18) . . ?
B12 B8 Co3 116.6(2) . . ?
B12 B8 B4 107.5(3) . . ?
B12 B8 B7 59.6(2) . . ?
B12 B8 H8 119.7(18) . . ?
B12 B8 B9 60.0(2) . . ?
B4 B9 H9 118.0(19) . . ?
B5 B9 B4 60.9(2) . . ?
B5 B9 B8 110.7(3) . . ?
B5 B9 H9 120.4(19) . . ?
B5 B9 B10 60.5(2) . . ?
B5 B9 B12 108.8(3) . . ?
B8 B9 B4 61.5(2) . . ?
B8 B9 H9 118.7(18) . . ?
B8 B9 B12 60.0(2) . . ?
B10 B9 B4 109.5(3) . . ?
B10 B9 B8 109.6(3) . . ?
B10 B9 H9 123.5(18) . . ?
B10 B9 B12 60.2(2) . . ?
B12 B9 B4 108.7(3) . . ?
B12 B9 H9 123.6(19) . . ?
B5 B10 H10 121(2) . . ?
B6 B10 B5 59.8(2) . . ?
B6 B10 B9 107.3(3) . . ?
B6 B10 H10 120(2) . . ?
B6 B10 B11 59.3(2) . . ?
B6 B10 B12 108.1(3) . . ?
B9 B10 B5 59.4(2) . . ?
B9 B10 H10 123(2) . . ?
B9 B10 B12 60.1(2) . . ?
B11 B10 B5 106.8(3) . . ?
B11 B10 B9 107.2(3) . . ?
B11 B10 H10 122(2) . . ?
B11 B10 B12 60.2(2) . . ?
B12 B10 B5 107.8(3) . . ?
B12 B10 H10 123(2) . . ?
C2 B11 B6 60.2(2) . . ?
C2 B11 B7 59.1(2) . . ?
C2 B11 B10 105.2(3) . . ?
C2 B11 H11 115.7(18) . . ?
C2 B11 B12 104.5(3) . . ?
B6 B11 B7 110.2(3) . . ?
B6 B11 B10 59.6(2) . . ?
B6 B11 H11 114.8(18) . . ?
B6 B11 B12 108.3(3) . . ?
B7 B11 H11 120.2(18) . . ?
B10 B11 B7 108.8(3) . . ?
B10 B11 H11 127.1(18) . . ?
B10 B11 B12 60.2(2) . . ?
B12 B11 B7 59.9(2) . . ?
B12 B11 H11 131.3(18) . . ?
B7 B12 B10 108.6(3) . . ?
B7 B12 B11 60.2(2) . . ?
B7 B12 H12 120.0(19) . . ?
B8 B12 B7 60.9(2) . . ?
B8 B12 B9 60.0(2) . . ?
B8 B12 B10 109.2(3) . . ?
B8 B12 B11 108.9(3) . . ?
B8 B12 H12 121.1(19) . . ?
B9 B12 B7 107.6(3) . . ?
B9 B12 B10 59.7(2) . . ?
B9 B12 B11 106.5(3) . . ?
B9 B12 H12 124.4(19) . . ?
B10 B12 H12 121.8(19) . . ?
B11 B12 B10 59.6(2) . . ?
B11 B12 H12 120.8(19) . . ?
Co3 C31 H31 126.0 . . ?
C32 C31 Co3 71.20(19) . . ?
C32 C31 H31 126.0 . . ?
C35 C31 Co3 68.64(19) . . ?
C35 C31 H31 126.0 . . ?
C35 C31 C32 108.1(3) . . ?
Co3 C32 H32 125.8 . . ?
C31 C32 Co3 69.50(18) . . ?
C31 C32 H32 125.8 . . ?
C31 C32 C33 108.4(3) . . ?
C33 C32 Co3 68.37(18) . . ?
C33 C32 H32 125.8 . . ?
Co3 C33 H33 126.3 . . ?
C32 C33 Co3 72.03(19) . . ?
C32 C33 H33 126.3 . . ?
C32 C33 C34 107.3(3) . . ?
C34 C33 Co3 69.15(19) . . ?
C34 C33 H33 126.3 . . ?
Co3 C34 H34 125.8 . . ?
C33 C34 Co3 70.42(19) . . ?
C33 C34 H34 125.8 . . ?
C35 C34 Co3 69.99(18) . . ?
C35 C34 C33 108.3(3) . . ?
C35 C34 H34 125.8 . . ?
Co3 C35 H35 126.1 . . ?
C31 C35 Co3 71.49(19) . . ?
C31 C35 C34 107.8(3) . . ?
C31 C35 H35 126.1 . . ?
C34 C35 Co3 69.60(19) . . ?
C34 C35 H35 126.1 . . ?
Co2' C1' H1' 110.4(17) . . ?
B3' C1' H1' 118.1(17) . . ?
B3' C1' Co2' 65.10(17) . . ?
B3' C1' B5' 115.0(3) . . ?
B3' C1' B6' 114.1(3) . . ?
B4' C1' H1' 115.7(17) . . ?
B4' C1' Co2' 122.5(2) . . ?
B4' C1' B3' 63.8(2) . . ?
B4' C1' B5' 62.2(2) . . ?
B4' C1' B6' 114.5(3) . . ?
B5' C1' H1' 116.2(17) . . ?
B5' C1' Co2' 122.6(2) . . ?
B5' C1' B6' 62.9(2) . . ?
B6' C1' H1' 118.8(17) . . ?
B6' C1' Co2' 66.30(16) . . ?
C1' Co2' B6' 49.92(15) . . ?
C1' Co2' B7' 87.08(14) . . ?
C1' Co2' B11' 86.36(15) . . ?
C1' Co2' C21' 110.78(14) . . ?
C1' Co2' C22' 146.74(15) . . ?
C1' Co2' C23' 163.26(14) . . ?
C1' Co2' C24' 123.06(14) . . ?
C1' Co2' C25' 100.10(13) . . ?
B3' Co2' C1' 49.71(14) . . ?
B3' Co2' B6' 89.42(15) . . ?
B3' Co2' B7' 53.17(15) . . ?
B3' Co2' B11' 89.91(15) . . ?
B3' Co2' C21' 99.27(15) . . ?
B3' Co2' C22' 109.70(14) . . ?
B3' Co2' C23' 146.27(15) . . ?
B3' Co2' C24' 162.87(15) . . ?
B3' Co2' C25' 122.75(15) . . ?
B6' Co2' B7' 89.76(15) . . ?
B6' Co2' B11' 51.98(15) . . ?
B6' Co2' C21' 141.96(15) . . ?
B6' Co2' C22' 160.69(16) . . ?
B7' Co2' B11' 50.93(14) . . ?
B7' Co2' C22' 99.45(14) . . ?
C21' Co2' B7' 124.94(14) . . ?
C21' Co2' B11' 162.68(15) . . ?
C21' Co2' C22' 39.96(14) . . ?
C22' Co2' B11' 122.97(15) . . ?
C23' Co2' B6' 120.57(16) . . ?
C23' Co2' B7' 107.74(15) . . ?
C23' Co2' B11' 96.87(15) . . ?
C23' Co2' C21' 67.47(15) . . ?
C23' Co2' C22' 40.39(14) . . ?
C23' Co2' C24' 40.27(14) . . ?
C23' Co2' C25' 67.45(14) . . ?
C24' Co2' B6' 94.79(15) . . ?
C24' Co2' B7' 143.23(15) . . ?
C24' Co2' B11' 105.76(15) . . ?
C24' Co2' C21' 67.54(14) . . ?
C24' Co2' C22' 67.75(13) . . ?
C24' Co2' C25' 40.15(14) . . ?
C25' Co2' B6' 105.02(14) . . ?
C25' Co2' B7' 164.93(14) . . ?
C25' Co2' B11' 142.08(15) . . ?
C25' Co2' C21' 40.08(14) . . ?
C25' Co2' C22' 67.37(13) . . ?
C1' B3' Co2' 65.19(18) . . ?
C1' B3' H3' 124.1(18) . . ?
C1' B3' B4' 57.7(2) . . ?
C1' B3' B7' 105.9(3) . . ?
C1' B3' C8' 102.4(2) . . ?
Co2' B3' H3' 123.9(18) . . ?
B4' B3' Co2' 117.3(2) . . ?
B4' B3' H3' 108.8(18) . . ?
B4' B3' B7' 107.5(2) . . ?
B7' B3' Co2' 64.78(17) . . ?
B7' B3' H3' 128.5(18) . . ?
C8' B3' Co2' 115.7(2) . . ?
C8' B3' H3' 114.7(18) . . ?
C8' B3' B4' 58.71(19) . . ?
C8' B3' B7' 59.16(19) . . ?
C1' B4' B3' 58.5(2) . . ?
C1' B4' H4' 123.5(19) . . ?
C1' B4' B5' 59.8(2) . . ?
C1' B4' C8' 103.1(2) . . ?
C1' B4' B9' 105.5(3) . . ?
B3' B4' H4' 115.4(19) . . ?
B5' B4' B3' 108.6(3) . . ?
B5' B4' H4' 126.7(19) . . ?
B5' B4' B9' 59.6(2) . . ?
C8' B4' B3' 58.90(19) . . ?
C8' B4' H4' 120.7(19) . . ?
C8' B4' B5' 107.0(3) . . ?
C8' B4' B9' 60.4(2) . . ?
B9' B4' B3' 108.6(3) . . ?
B9' B4' H4' 125.9(19) . . ?
C1' B5' B4' 58.0(2) . . ?
C1' B5' H5' 117.0(19) . . ?
C1' B5' B6' 58.8(2) . . ?
C1' B5' B9' 104.9(3) . . ?
C1' B5' B10' 105.1(3) . . ?
B4' B5' H5' 112.5(19) . . ?
B4' B5' B6' 107.7(3) . . ?
B4' B5' B10' 108.5(3) . . ?
B6' B5' H5' 125.0(19) . . ?
B9' B5' B4' 60.6(2) . . ?
B9' B5' H5' 123.5(19) . . ?
B9' B5' B6' 108.4(3) . . ?
B9' B5' B10' 60.2(2) . . ?
B10' B5' H5' 132.2(19) . . ?
B10' B5' B6' 60.2(2) . . ?
C1' B6' Co2' 63.78(16) . . ?
C1' B6' B5' 58.4(2) . . ?
C1' B6' H6' 121.8(19) . . ?
C1' B6' B10' 103.8(3) . . ?
C1' B6' B11' 104.8(3) . . ?
Co2' B6' H6' 117.3(17) . . ?
B5' B6' Co2' 116.4(2) . . ?
B5' B6' H6' 114.1(17) . . ?
B5' B6' B11' 107.3(3) . . ?
B10' B6' Co2' 116.6(2) . . ?
B10' B6' B5' 59.0(2) . . ?
B10' B6' H6' 120.3(17) . . ?
B10' B6' B11' 59.9(2) . . ?
B11' B6' Co2' 64.39(16) . . ?
B11' B6' H6' 128.9(18) . . ?
Co2' B7' H7' 122.2(17) . . ?
B3' B7' Co2' 62.05(16) . . ?
B3' B7' H7' 124.9(18) . . ?
C8' B7' Co2' 111.9(2) . . ?
C8' B7' B3' 57.52(19) . . ?
C8' B7' H7' 116.4(18) . . ?
C8' B7' B11' 105.7(2) . . ?
C8' B7' B12' 58.94(19) . . ?
B11' B7' Co2' 64.76(17) . . ?
B11' B7' B3' 106.5(3) . . ?
B11' B7' H7' 125.2(19) . . ?
B12' B7' Co2' 116.5(2) . . ?
B12' B7' B3' 105.9(2) . . ?
B12' B7' H7' 114.6(18) . . ?
B12' B7' B11' 60.5(2) . . ?
C1 C8' B3' 120.5(3) . . ?
C1 C8' B4' 117.9(3) . . ?
C1 C8' B7' 120.7(2) . . ?
C1 C8' B9' 117.5(2) . . ?
C1 C8' B12' 119.6(3) . . ?
B3' C8' B7' 63.3(2) . . ?
B3' C8' B9' 111.9(2) . . ?
B3' C8' B12' 112.2(3) . . ?
B4' C8' B3' 62.4(2) . . ?
B4' C8' B7' 113.9(2) . . ?
B4' C8' B9' 61.1(2) . . ?
B4' C8' B12' 111.2(3) . . ?
B9' C8' B7' 111.4(3) . . ?
B12' C8' B7' 60.91(19) . . ?
B12' C8' B9' 60.8(2) . . ?
B4' B9' H9' 119.5(18) . . ?
B5' B9' B4' 59.9(2) . . ?
B5' B9' C8' 105.7(2) . . ?
B5' B9' H9' 123.6(17) . . ?
B5' B9' B10' 60.2(2) . . ?
B5' B9' B12' 109.0(3) . . ?
C8' B9' B4' 58.55(19) . . ?
C8' B9' H9' 120.5(18) . . ?
C8' B9' B10' 106.3(2) . . ?
C8' B9' B12' 59.0(2) . . ?
B10' B9' B4' 107.9(3) . . ?
B10' B9' H9' 125.3(18) . . ?
B10' B9' B12' 61.0(2) . . ?
B12' B9' B4' 107.7(2) . . ?
B12' B9' H9' 121.4(17) . . ?
B5' B10' B6' 60.7(2) . . ?
B5' B10' B9' 59.5(2) . . ?
B5' B10' H10' 120.3(18) . . ?
B5' B10' B11' 109.3(3) . . ?
B5' B10' B12' 107.3(3) . . ?
B6' B10' H10' 121.8(18) . . ?
B6' B10' B11' 60.8(2) . . ?
B6' B10' B12' 107.9(3) . . ?
B9' B10' B6' 108.2(3) . . ?
B9' B10' H10' 120.6(18) . . ?
B9' B10' B11' 108.2(3) . . ?
B9' B10' B12' 59.6(2) . . ?
B11' B10' H10' 122.5(19) . . ?
B12' B10' H10' 122.7(18) . . ?
B12' B10' B11' 59.8(2) . . ?
Co2' B11' H11' 117.6(18) . . ?
B6' B11' Co2' 63.64(17) . . ?
B6' B11' H11' 121.9(17) . . ?
B7' B11' Co2' 64.31(17) . . ?
B7' B11' B6' 108.3(3) . . ?
B7' B11' B10' 108.1(3) . . ?
B7' B11' H11' 124.4(17) . . ?
B7' B11' B12' 59.5(2) . . ?
B10' B11' Co2' 115.3(2) . . ?
B10' B11' B6' 59.2(2) . . ?
B10' B11' H11' 116.7(18) . . ?
B12' B11' Co2' 115.2(2) . . ?
B12' B11' B6' 106.9(3) . . ?
B12' B11' B10' 60.0(2) . . ?
B12' B11' H11' 119.3(17) . . ?
B7' B12' B10' 108.8(3) . . ?
B7' B12' B11' 60.0(2) . . ?
B7' B12' H12' 120.6(18) . . ?
C8' B12' B7' 60.2(2) . . ?
C8' B12' B9' 60.2(2) . . ?
C8' B12' B10' 105.9(3) . . ?
C8' B12' B11' 106.3(3) . . ?
C8' B12' H12' 120.9(18) . . ?
B9' B12' B7' 110.3(3) . . ?
B9' B12' B10' 59.4(2) . . ?
B9' B12' B11' 108.4(3) . . ?
B9' B12' H12' 119.1(19) . . ?
B10' B12' H12' 123.6(18) . . ?
B11' B12' B10' 60.2(2) . . ?
B11' B12' H12' 124.5(19) . . ?
Co2' C21' H21' 125.9 . . ?
C22' C21' Co2' 70.09(19) . . ?
C22' C21' H21' 125.9 . . ?
C22' C21' C25' 108.2(3) . . ?
C25' C21' Co2' 69.75(19) . . ?
C25' C21' H21' 125.9 . . ?
Co2' C22' H22' 126.2 . . ?
C21' C22' Co2' 69.95(18) . . ?
C21' C22' H22' 126.2 . . ?
C21' C22' C23' 107.5(3) . . ?
C23' C22' Co2' 69.18(19) . . ?
C23' C22' H22' 126.2 . . ?
Co2' C23' H23' 125.9 . . ?
C22' C23' Co2' 70.43(19) . . ?
C22' C23' H23' 125.9 . . ?
C24' C23' Co2' 69.91(19) . . ?
C24' C23' C22' 108.2(3) . . ?
C24' C23' H23' 125.9 . . ?
Co2' C24' H24' 126.1 . . ?
C23' C24' Co2' 69.8(2) . . ?
C23' C24' H24' 126.1 . . ?
C25' C24' Co2' 70.22(19) . . ?
C25' C24' C23' 107.8(3) . . ?
C25' C24' H24' 126.1 . . ?
Co2' C25' H25' 125.9 . . ?
C21' C25' Co2' 70.17(19) . . ?
C21' C25' H25' 125.9 . . ?
C24' C25' Co2' 69.62(19) . . ?
C24' C25' C21' 108.2(3) . . ?
C24' C25' H25' 125.9 . . ?

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 -37.3(2) . . . . ?
C1 C2 B6 B10 -100.6(3) . . . . ?
C1 C2 B6 B11 -142.0(3) . . . . ?
C1 C2 B7 Co3 -50.9(2) . . . . ?
C1 C2 B7 B8 1.3(3) . . . . ?
C1 C2 B7 B11 103.4(3) . . . . ?
C1 C2 B7 B12 62.8(3) . . . . ?
C1 C2 B11 B6 36.2(3) . . . . ?
C1 C2 B11 B7 -107.4(3) . . . . ?
C1 C2 B11 B10 -4.3(4) . . . . ?
C1 C2 B11 B12 -66.8(3) . . . . ?
C1 B4 B5 B6 36.3(2) . . . . ?
C1 B4 B5 B9 136.0(3) . . . . ?
C1 B4 B5 B10 99.0(3) . . . . ?
C1 B4 B8 Co3 53.05(19) . . . . ?
C1 B4 B8 B7 4.0(3) . . . . ?
C1 B4 B8 B9 -96.3(3) . . . . ?
C1 B4 B8 B12 -58.5(3) . . . . ?
C1 B4 B9 B5 -37.5(2) . . . . ?
C1 B4 B9 B8 102.2(3) . . . . ?
C1 B4 B9 B10 -0.1(4) . . . . ?
C1 B4 B9 B12 64.0(3) . . . . ?
C1 B5 B6 C2 36.2(2) . . . . ?
C1 B5 B6 B10 136.9(3) . . . . ?
C1 B5 B6 B11 97.8(3) . . . . ?
C1 B5 B9 B4 38.4(2) . . . . ?
C1 B5 B9 B8 1.0(4) . . . . ?
C1 B5 B9 B10 -100.4(3) . . . . ?
C1 B5 B9 B12 -63.1(3) . . . . ?
C1 B5 B10 B6 -38.5(2) . . . . ?
C1 B5 B10 B9 99.6(3) . . . . ?
C1 B5 B10 B11 -0.9(3) . . . . ?
C1 B5 B10 B12 62.5(3) . . . . ?
C1 B6 B10 B5 37.8(2) . . . . ?
C1 B6 B10 B9 0.7(4) . . . . ?
C1 B6 B10 B11 -99.4(3) . . . . ?
C1 B6 B10 B12 -62.7(3) . . . . ?
C1 B6 B11 C2 -32.3(2) . . . . ?
C1 B6 B11 B7 0.5(4) . . . . ?
C1 B6 B11 B10 101.1(3) . . . . ?
C1 B6 B11 B12 64.3(3) . . . . ?
C1 C8' B9' B4' -108.3(3) . . . . ?
C1 C8' B9' B5' -146.7(3) . . . . ?
C1 C8' B9' B10' 150.4(3) . . . . ?
C1 C8' B9' B12' 110.2(3) . . . . ?
C1 C8' B12' B7' 110.9(3) . . . . ?
C1 C8' B12' B9' -107.0(3) . . . . ?
C1 C8' B12' B10' -146.2(3) . . . . ?
C1 C8' B12' B11' 150.8(3) . . . . ?
C2 C1 B4 Co3 48.05(18) . . . . ?
C2 C1 B4 B5 -102.3(3) . . . . ?
C2 C1 B4 B8 -3.3(3) . . . . ?
C2 C1 B4 B9 -64.6(3) . . . . ?
C2 C1 B5 B4 100.4(3) . . . . ?
C2 C1 B5 B6 -39.5(2) . . . . ?
C2 C1 B5 B9 61.3(3) . . . . ?
C2 C1 B5 B10 -1.7(3) . . . . ?
C2 C1 B6 B5 136.4(3) . . . . ?
C2 C1 B6 B10 97.6(3) . . . . ?
C2 C1 B6 B11 33.4(3) . . . . ?
C2 C1 C8' B3' -41.9(4) . . . . ?
C2 C1 C8' B4' 30.9(4) . . . . ?
C2 C1 C8' B7' -117.0(3) . . . . ?
C2 C1 C8' B9' 100.9(3) . . . . ?
C2 C1 C8' B12' 171.2(2) . . . . ?
C2 B6 B10 B5 96.8(3) . . . . ?
C2 B6 B10 B9 59.7(3) . . . . ?
C2 B6 B10 B11 -40.4(2) . . . . ?
C2 B6 B10 B12 -3.7(4) . . . . ?
C2 B6 B11 B7 32.8(3) . . . . ?
C2 B6 B11 B10 133.4(3) . . . . ?
C2 B6 B11 B12 96.6(3) . . . . ?
C2 B7 B8 Co3 -51.89(19) . . . . ?
C2 B7 B8 B4 -3.2(3) . . . . ?
C2 B7 B8 B9 59.4(3) . . . . ?
C2 B7 B8 B12 98.2(3) . . . . ?
C2 B7 B11 B6 -33.2(3) . . . . ?
C2 B7 B11 B10 -96.8(3) . . . . ?
C2 B7 B11 B12 -133.3(3) . . . . ?
C2 B7 B12 B8 -98.5(3) . . . . ?
C2 B7 B12 B9 -59.4(3) . . . . ?
C2 B7 B12 B10 3.7(4) . . . . ?
C2 B7 B12 B11 39.8(3) . . . . ?
C2 B11 B12 B7 -40.2(3) . . . . ?
C2 B11 B12 B8 -2.3(4) . . . . ?
C2 B11 B12 B9 61.0(3) . . . . ?
C2 B11 B12 B10 99.4(3) . . . . ?
Co3 C1 C2 B6 153.5(2) . . . . ?
Co3 C1 C2 B7 49.2(2) . . . . ?
Co3 C1 C2 B11 118.1(3) . . . . ?
Co3 C1 B4 B5 -150.3(2) . . . . ?
Co3 C1 B4 B8 -51.34(19) . . . . ?
Co3 C1 B4 B9 -112.6(3) . . . . ?
Co3 C1 B5 B4 30.5(2) . . . . ?
Co3 C1 B5 B6 -109.3(3) . . . . ?
Co3 C1 B5 B9 -8.6(3) . . . . ?
Co3 C1 B5 B10 -71.5(3) . . . . ?
Co3 C1 B6 C2 -27.4(2) . . . . ?
Co3 C1 B6 B5 109.0(3) . . . . ?
Co3 C1 B6 B10 70.2(3) . . . . ?
Co3 C1 B6 B11 6.1(3) . . . . ?
Co3 C1 C8' B3' 33.3(4) . . . . ?
Co3 C1 C8' B4' 106.1(3) . . . . ?
Co3 C1 C8' B7' -41.8(4) . . . . ?
Co3 C1 C8' B9' 176.1(2) . . . . ?
Co3 C1 C8' B12' -113.6(3) . . . . ?
Co3 C2 B6 C1 30.9(2) . . . . ?
Co3 C2 B6 B5 -6.4(4) . . . . ?
Co3 C2 B6 B10 -69.8(3) . . . . ?
Co3 C2 B6 B11 -111.1(3) . . . . ?
Co3 C2 B7 B8 52.16(19) . . . . ?
Co3 C2 B7 B11 154.3(2) . . . . ?
Co3 C2 B7 B12 113.7(3) . . . . ?
Co3 C2 B11 B6 115.5(3) . . . . ?
Co3 C2 B11 B7 -28.1(3) . . . . ?
Co3 C2 B11 B10 75.0(3) . . . . ?
Co3 C2 B11 B12 12.5(4) . . . . ?
Co3 B4 B5 C1 -31.3(2) . . . . ?
Co3 B4 B5 B6 5.0(4) . . . . ?
Co3 B4 B5 B9 104.7(3) . . . . ?
Co3 B4 B5 B10 67.6(3) . . . . ?
Co3 B4 B8 B7 -49.0(2) . . . . ?
Co3 B4 B8 B9 -149.4(2) . . . . ?
Co3 B4 B8 B12 -111.5(3) . . . . ?
Co3 B4 B9 B5 -109.0(3) . . . . ?
Co3 B4 B9 B8 30.7(2) . . . . ?
Co3 B4 B9 B10 -71.5(3) . . . . ?
Co3 B4 B9 B12 -7.4(3) . . . . ?
Co3 B7 B8 B4 48.73(19) . . . . ?
Co3 B7 B8 B9 111.3(2) . . . . ?
Co3 B7 B8 B12 150.1(2) . . . . ?
Co3 B7 B11 C2 26.2(2) . . . . ?
Co3 B7 B11 B6 -7.1(4) . . . . ?
Co3 B7 B11 B10 -70.6(3) . . . . ?
Co3 B7 B11 B12 -107.1(3) . . . . ?
Co3 B7 B12 B8 -30.5(2) . . . . ?
Co3 B7 B12 B9 8.5(4) . . . . ?
Co3 B7 B12 B10 71.7(3) . . . . ?
Co3 B7 B12 B11 107.8(3) . . . . ?
Co3 B8 B9 B4 -30.4(2) . . . . ?
Co3 B8 B9 B5 6.8(4) . . . . ?
Co3 B8 B9 B10 71.7(3) . . . . ?
Co3 B8 B9 B12 107.1(3) . . . . ?
Co3 B8 B12 B7 30.1(2) . . . . ?
Co3 B8 B12 B9 -106.1(3) . . . . ?
Co3 B8 B12 B10 -71.0(3) . . . . ?
Co3 B8 B12 B11 -7.6(4) . . . . ?
Co3 C31 C32 C33 57.4(2) . . . . ?
Co3 C31 C35 C34 -60.4(2) . . . . ?
Co3 C32 C33 C34 60.5(2) . . . . ?
Co3 C33 C34 C35 60.0(2) . . . . ?
Co3 C34 C35 C31 61.6(2) . . . . ?
B4 C1 C2 Co3 -47.88(18) . . . . ?
B4 C1 C2 B6 105.6(3) . . . . ?
B4 C1 C2 B7 1.3(3) . . . . ?
B4 C1 C2 B11 70.2(3) . . . . ?
B4 C1 B5 B6 -139.9(3) . . . . ?
B4 C1 B5 B9 -39.1(3) . . . . ?
B4 C1 B5 B10 -102.1(3) . . . . ?
B4 C1 B6 C2 -98.4(3) . . . . ?
B4 C1 B6 B5 38.0(3) . . . . ?
B4 C1 B6 B10 -0.8(4) . . . . ?
B4 C1 B6 B11 -64.9(3) . . . . ?
B4 C1 C8' B3' 110.6(3) . . . . ?
B4 C1 C8' B4' -176.7(3) . . . . ?
B4 C1 C8' B7' 35.4(4) . . . . ?
B4 C1 C8' B9' -106.7(3) . . . . ?
B4 C1 C8' B12' -36.4(4) . . . . ?
B4 B5 B6 C1 -35.6(2) . . . . ?
B4 B5 B6 C2 0.5(3) . . . . ?
B4 B5 B6 B10 101.2(3) . . . . ?
B4 B5 B6 B11 62.2(3) . . . . ?
B4 B5 B9 B8 -37.4(3) . . . . ?
B4 B5 B9 B10 -138.9(3) . . . . ?
B4 B5 B9 B12 -101.5(3) . . . . ?
B4 B5 B10 B6 -100.8(3) . . . . ?
B4 B5 B10 B9 37.2(2) . . . . ?
B4 B5 B10 B11 -63.2(3) . . . . ?
B4 B5 B10 B12 0.2(4) . . . . ?
B4 B8 B9 B5 37.2(3) . . . . ?
B4 B8 B9 B10 102.1(3) . . . . ?
B4 B8 B9 B12 137.5(3) . . . . ?
B4 B8 B12 B7 98.4(3) . . . . ?
B4 B8 B12 B9 -37.8(3) . . . . ?
B4 B8 B12 B10 -2.7(4) . . . . ?
B4 B8 B12 B11 60.8(3) . . . . ?
B4 B9 B10 B5 -37.6(3) . . . . ?
B4 B9 B10 B6 -0.4(4) . . . . ?
B4 B9 B10 B11 62.1(3) . . . . ?
B4 B9 B10 B12 101.0(3) . . . . ?
B4 B9 B12 B7 -0.6(4) . . . . ?
B4 B9 B12 B8 38.8(3) . . . . ?
B4 B9 B12 B10 -102.2(3) . . . . ?
B4 B9 B12 B11 -63.8(3) . . . . ?
B5 C1 C2 Co3 -114.2(2) . . . . ?
B5 C1 C2 B6 39.3(2) . . . . ?
B5 C1 C2 B7 -65.0(3) . . . . ?
B5 C1 C2 B11 3.8(3) . . . . ?
B5 C1 B4 Co3 150.3(2) . . . . ?
B5 C1 B4 B8 99.0(3) . . . . ?
B5 C1 B4 B9 37.7(3) . . . . ?
B5 C1 B6 C2 -136.4(3) . . . . ?
B5 C1 B6 B10 -38.8(3) . . . . ?
B5 C1 B6 B11 -103.0(3) . . . . ?
B5 C1 C8' B3' -175.6(3) . . . . ?
B5 C1 C8' B4' -102.9(3) . . . . ?
B5 C1 C8' B7' 109.3(3) . . . . ?
B5 C1 C8' B9' -32.8(4) . . . . ?
B5 C1 C8' B12' 37.5(4) . . . . ?
B5 B4 B8 Co3 114.2(2) . . . . ?
B5 B4 B8 B7 65.2(3) . . . . ?
B5 B4 B8 B9 -35.2(3) . . . . ?
B5 B4 B8 B12 2.7(3) . . . . ?
B5 B4 B9 B8 139.7(3) . . . . ?
B5 B4 B9 B10 37.4(3) . . . . ?
B5 B4 B9 B12 101.5(3) . . . . ?
B5 B6 B10 B9 -37.1(3) . . . . ?
B5 B6 B10 B11 -137.2(3) . . . . ?
B5 B6 B10 B12 -100.5(3) . . . . ?
B5 B6 B11 C2 -94.3(3) . . . . ?
B5 B6 B11 B7 -61.5(3) . . . . ?
B5 B6 B11 B10 39.1(2) . . . . ?
B5 B6 B11 B12 2.3(3) . . . . ?
B5 B9 B10 B6 37.2(3) . . . . ?
B5 B9 B10 B11 99.7(3) . . . . ?
B5 B9 B10 B12 138.5(3) . . . . ?
B5 B9 B12 B7 64.1(3) . . . . ?
B5 B9 B12 B8 103.6(3) . . . . ?
B5 B9 B12 B10 -37.5(2) . . . . ?
B5 B9 B12 B11 0.9(3) . . . . ?
B5 B10 B11 C2 3.0(3) . . . . ?
B5 B10 B11 B6 -37.8(3) . . . . ?
B5 B10 B11 B7 65.0(3) . . . . ?
B5 B10 B11 B12 101.3(3) . . . . ?
B5 B10 B12 B7 -63.2(3) . . . . ?
B5 B10 B12 B8 1.6(4) . . . . ?
B5 B10 B12 B9 36.8(3) . . . . ?
B5 B10 B12 B11 -99.5(3) . . . . ?
B6 C1 C2 Co3 -153.5(2) . . . . ?
B6 C1 C2 B7 -104.3(3) . . . . ?
B6 C1 C2 B11 -35.5(3) . . . . ?
B6 C1 B4 Co3 113.2(2) . . . . ?
B6 C1 B4 B5 -37.2(3) . . . . ?
B6 C1 B4 B8 61.8(3) . . . . ?
B6 C1 B4 B9 0.6(3) . . . . ?
B6 C1 B5 B4 139.9(3) . . . . ?
B6 C1 B5 B9 100.8(3) . . . . ?
B6 C1 B5 B10 37.8(2) . . . . ?
B6 C1 C8' B3' -109.5(3) . . . . ?
B6 C1 C8' B4' -36.8(3) . . . . ?
B6 C1 C8' B7' 175.3(3) . . . . ?
B6 C1 C8' B9' 33.3(4) . . . . ?
B6 C1 C8' B12' 103.6(3) . . . . ?
B6 C2 B7 Co3 -120.1(3) . . . . ?
B6 C2 B7 B8 -67.9(3) . . . . ?
B6 C2 B7 B11 34.2(3) . . . . ?
B6 C2 B7 B12 -6.4(4) . . . . ?
B6 C2 B11 B7 -143.6(3) . . . . ?
B6 C2 B11 B10 -40.5(3) . . . . ?
B6 C2 B11 B12 -103.0(3) . . . . ?
B6 B5 B9 B4 102.0(3) . . . . ?
B6 B5 B9 B8 64.6(3) . . . . ?
B6 B5 B9 B10 -36.9(2) . . . . ?
B6 B5 B9 B12 0.5(3) . . . . ?
B6 B5 B10 B9 138.1(3) . . . . ?
B6 B5 B10 B11 37.6(3) . . . . ?
B6 B5 B10 B12 101.0(3) . . . . ?
B6 B10 B11 C2 40.8(2) . . . . ?
B6 B10 B11 B7 102.8(3) . . . . ?
B6 B10 B11 B12 139.1(3) . . . . ?
B6 B10 B12 B7 0.0(4) . . . . ?
B6 B10 B12 B8 64.8(4) . . . . ?
B6 B10 B12 B9 100.0(3) . . . . ?
B6 B10 B12 B11 -36.3(3) . . . . ?
B6 B11 B12 B7 -103.2(3) . . . . ?
B6 B11 B12 B8 -65.2(3) . . . . ?
B6 B11 B12 B9 -2.0(3) . . . . ?
B6 B11 B12 B10 36.5(2) . . . . ?
B7 C2 B6 C1 107.1(3) . . . . ?
B7 C2 B6 B5 69.8(3) . . . . ?
B7 C2 B6 B10 6.5(4) . . . . ?
B7 C2 B6 B11 -34.9(3) . . . . ?
B7 C2 B11 B6 143.6(3) . . . . ?
B7 C2 B11 B10 103.1(3) . . . . ?
B7 C2 B11 B12 40.6(3) . . . . ?
B7 B8 B9 B4 -98.9(3) . . . . ?
B7 B8 B9 B5 -61.7(3) . . . . ?
B7 B8 B9 B10 3.2(4) . . . . ?
B7 B8 B9 B12 38.6(3) . . . . ?
B7 B8 B12 B9 -136.1(3) . . . . ?
B7 B8 B12 B10 -101.1(3) . . . . ?
B7 B8 B12 B11 -37.6(3) . . . . ?
B7 B11 B12 B8 37.9(3) . . . . ?
B7 B11 B12 B9 101.2(3) . . . . ?
B7 B11 B12 B10 139.6(3) . . . . ?
B8 B4 B5 C1 -100.7(3) . . . . ?
B8 B4 B5 B6 -64.4(3) . . . . ?
B8 B4 B5 B9 35.3(3) . . . . ?
B8 B4 B5 B10 -1.8(3) . . . . ?
B8 B4 B9 B5 -139.7(3) . . . . ?
B8 B4 B9 B10 -102.3(3) . . . . ?
B8 B4 B9 B12 -38.2(3) . . . . ?
B8 B7 B11 C2 96.3(3) . . . . ?
B8 B7 B11 B6 63.0(3) . . . . ?
B8 B7 B11 B10 -0.6(4) . . . . ?
B8 B7 B11 B12 -37.0(3) . . . . ?
B8 B7 B12 B9 39.0(3) . . . . ?
B8 B7 B12 B10 102.2(3) . . . . ?
B8 B7 B12 B11 138.3(3) . . . . ?
B8 B9 B10 B5 -103.3(3) . . . . ?
B8 B9 B10 B6 -66.0(3) . . . . ?
B8 B9 B10 B11 -3.6(4) . . . . ?
B8 B9 B10 B12 35.3(3) . . . . ?
B8 B9 B12 B7 -39.4(3) . . . . ?
B8 B9 B12 B10 -141.0(3) . . . . ?
B8 B9 B12 B11 -102.6(3) . . . . ?
B9 B4 B5 C1 -136.0(3) . . . . ?
B9 B4 B5 B6 -99.7(3) . . . . ?
B9 B4 B5 B10 -37.0(3) . . . . ?
B9 B4 B8 Co3 149.4(2) . . . . ?
B9 B4 B8 B7 100.4(3) . . . . ?
B9 B4 B8 B12 37.9(3) . . . . ?
B9 B5 B6 C1 -99.6(3) . . . . ?
B9 B5 B6 C2 -63.4(3) . . . . ?
B9 B5 B6 B10 37.3(2) . . . . ?
B9 B5 B6 B11 -1.8(3) . . . . ?
B9 B5 B10 B6 -138.1(3) . . . . ?
B9 B5 B10 B11 -100.4(3) . . . . ?
B9 B5 B10 B12 -37.1(3) . . . . ?
B9 B8 B12 B7 136.1(3) . . . . ?
B9 B8 B12 B10 35.1(3) . . . . ?
B9 B8 B12 B11 98.5(3) . . . . ?
B9 B10 B11 C2 -59.5(3) . . . . ?
B9 B10 B11 B6 -100.3(3) . . . . ?
B9 B10 B11 B7 2.5(4) . . . . ?
B9 B10 B11 B12 38.8(3) . . . . ?
B9 B10 B12 B7 -100.0(3) . . . . ?
B9 B10 B12 B8 -35.2(3) . . . . ?
B9 B10 B12 B11 -136.3(3) . . . . ?
B10 B5 B6 C1 -136.9(3) . . . . ?
B10 B5 B6 C2 -100.7(3) . . . . ?
B10 B5 B6 B11 -39.1(3) . . . . ?
B10 B5 B9 B4 138.9(3) . . . . ?
B10 B5 B9 B8 101.4(3) . . . . ?
B10 B5 B9 B12 37.4(2) . . . . ?
B10 B6 B11 C2 -133.4(3) . . . . ?
B10 B6 B11 B7 -100.6(3) . . . . ?
B10 B6 B11 B12 -36.8(2) . . . . ?
B10 B9 B12 B7 101.6(3) . . . . ?
B10 B9 B12 B8 141.0(3) . . . . ?
B10 B9 B12 B11 38.4(2) . . . . ?
B10 B11 B12 B7 -139.6(3) . . . . ?
B10 B11 B12 B8 -101.7(3) . . . . ?
B10 B11 B12 B9 -38.5(2) . . . . ?
B11 C2 B6 C1 142.0(3) . . . . ?
B11 C2 B6 B5 104.7(3) . . . . ?
B11 C2 B6 B10 41.3(3) . . . . ?
B11 C2 B7 Co3 -154.3(2) . . . . ?
B11 C2 B7 B8 -102.1(3) . . . . ?
B11 C2 B7 B12 -40.5(3) . . . . ?
B11 B6 B10 B5 137.2(3) . . . . ?
B11 B6 B10 B9 100.1(3) . . . . ?
B11 B6 B10 B12 36.7(3) . . . . ?
B11 B7 B8 Co3 -112.9(3) . . . . ?
B11 B7 B8 B4 -64.1(3) . . . . ?
B11 B7 B8 B9 -1.6(4) . . . . ?
B11 B7 B8 B12 37.2(3) . . . . ?
B11 B7 B12 B8 -138.3(3) . . . . ?
B11 B7 B12 B9 -99.3(3) . . . . ?
B11 B7 B12 B10 -36.1(3) . . . . ?
B11 B10 B12 B7 36.3(3) . . . . ?
B11 B10 B12 B8 101.1(3) . . . . ?
B11 B10 B12 B9 136.3(3) . . . . ?
B12 B7 B8 Co3 -150.1(2) . . . . ?
B12 B7 B8 B4 -101.3(3) . . . . ?
B12 B7 B8 B9 -38.8(3) . . . . ?
B12 B7 B11 C2 133.3(3) . . . . ?
B12 B7 B11 B6 100.0(3) . . . . ?
B12 B7 B11 B10 36.4(3) . . . . ?
B12 B8 B9 B4 -137.5(3) . . . . ?
B12 B8 B9 B5 -100.3(3) . . . . ?
B12 B8 B9 B10 -35.4(3) . . . . ?
B12 B9 B10 B5 -138.5(3) . . . . ?
B12 B9 B10 B6 -101.3(3) . . . . ?
B12 B9 B10 B11 -38.9(3) . . . . ?
B12 B10 B11 C2 -98.3(3) . . . . ?
B12 B10 B11 B6 -139.1(3) . . . . ?
B12 B10 B11 B7 -36.3(3) . . . . ?
C31 C32 C33 Co3 -58.0(2) . . . . ?
C31 C32 C33 C34 2.4(3) . . . . ?
C32 C31 C35 Co3 60.5(2) . . . . ?
C32 C31 C35 C34 0.1(3) . . . . ?
C32 C33 C34 Co3 -62.3(2) . . . . ?
C32 C33 C34 C35 -2.4(4) . . . . ?
C33 C34 C35 Co3 -60.2(2) . . . . ?
C33 C34 C35 C31 1.4(4) . . . . ?
C35 C31 C32 Co3 -58.9(2) . . . . ?
C35 C31 C32 C33 -1.6(3) . . . . ?
C1' B3' B4' B5' -33.9(3) . . . . ?
C1' B3' B4' C8' -132.9(3) . . . . ?
C1' B3' B4' B9' -97.1(3) . . . . ?
C1' B3' B7' Co2' -51.94(19) . . . . ?
C1' B3' B7' C8' 95.1(2) . . . . ?
C1' B3' B7' B11' -3.3(3) . . . . ?
C1' B3' B7' B12' 60.0(3) . . . . ?
C1' B3' C8' C1 147.1(3) . . . . ?
C1' B3' C8' B4' 39.4(2) . . . . ?
C1' B3' C8' B7' -101.3(3) . . . . ?
C1' B3' C8' B9' 2.5(3) . . . . ?
C1' B3' C8' B12' -63.7(3) . . . . ?
C1' B4' B5' B6' -32.9(2) . . . . ?
C1' B4' B5' B9' -134.4(3) . . . . ?
C1' B4' B5' B10' -96.6(3) . . . . ?
C1' B4' C8' C1 -151.7(3) . . . . ?
C1' B4' C8' B3' -39.9(2) . . . . ?
C1' B4' C8' B7' -1.6(3) . . . . ?
C1' B4' C8' B9' 100.6(3) . . . . ?
C1' B4' C8' B12' 64.9(3) . . . . ?
C1' B4' B9' B5' 39.8(2) . . . . ?
C1' B4' B9' C8' -96.5(3) . . . . ?
C1' B4' B9' B10' 2.1(3) . . . . ?
C1' B4' B9' B12' -62.4(3) . . . . ?
C1' B5' B6' Co2' -27.7(2) . . . . ?
C1' B5' B6' B10' -134.2(3) . . . . ?
C1' B5' B6' B11' -97.1(3) . . . . ?
C1' B5' B9' B4' -38.8(2) . . . . ?
C1' B5' B9' C8' -1.0(4) . . . . ?
C1' B5' B9' B10' 99.1(3) . . . . ?
C1' B5' B9' B12' 61.0(3) . . . . ?
C1' B5' B10' B6' 39.4(2) . . . . ?
C1' B5' B10' B9' -98.8(3) . . . . ?
C1' B5' B10' B11' 1.5(4) . . . . ?
C1' B5' B10' B12' -61.8(3) . . . . ?
C1' B6' B10' B5' -39.0(2) . . . . ?
C1' B6' B10' B9' -1.8(3) . . . . ?
C1' B6' B10' B11' 99.4(3) . . . . ?
C1' B6' B10' B12' 61.3(3) . . . . ?
C1' B6' B11' Co2' 50.66(18) . . . . ?
C1' B6' B11' B7' 3.0(3) . . . . ?
C1' B6' B11' B10' -97.6(3) . . . . ?
C1' B6' B11' B12' -59.6(3) . . . . ?
Co2' C1' B3' B4' 152.7(2) . . . . ?
Co2' C1' B3' B7' 51.70(19) . . . . ?
Co2' C1' B3' C8' 112.8(2) . . . . ?
Co2' C1' B4' B3' -29.6(2) . . . . ?
Co2' C1' B4' B5' 112.7(3) . . . . ?
Co2' C1' B4' C8' 10.5(3) . . . . ?
Co2' C1' B4' B9' 73.0(3) . . . . ?
Co2' C1' B5' B4' -112.5(3) . . . . ?
Co2' C1' B5' B6' 30.2(2) . . . . ?
Co2' C1' B5' B9' -72.5(3) . . . . ?
Co2' C1' B5' B10' -9.9(4) . . . . ?
Co2' C1' B6' B5' -152.4(2) . . . . ?
Co2' C1' B6' B10' -113.1(2) . . . . ?
Co2' C1' B6' B11' -51.02(19) . . . . ?
Co2' B3' B4' C1' 27.9(2) . . . . ?
Co2' B3' B4' B5' -5.9(3) . . . . ?
Co2' B3' B4' C8' -104.9(3) . . . . ?
Co2' B3' B4' B9' -69.2(3) . . . . ?
Co2' B3' B7' C8' 147.1(2) . . . . ?
Co2' B3' B7' B11' 48.7(2) . . . . ?
Co2' B3' B7' B12' 111.9(2) . . . . ?
Co2' B3' C8' C1 -144.7(2) . . . . ?
Co2' B3' C8' B4' 107.6(3) . . . . ?
Co2' B3' C8' B7' -33.1(2) . . . . ?
Co2' B3' C8' B9' 70.7(3) . . . . ?
Co2' B3' C8' B12' 4.5(3) . . . . ?
Co2' B6' B10' B5' -106.3(3) . . . . ?
Co2' B6' B10' B9' -69.1(3) . . . . ?
Co2' B6' B10' B11' 32.1(2) . . . . ?
Co2' B6' B10' B12' -6.0(4) . . . . ?
Co2' B6' B11' B7' -47.6(2) . . . . ?
Co2' B6' B11' B10' -148.2(2) . . . . ?
Co2' B6' B11' B12' -110.3(2) . . . . ?
Co2' B7' C8' C1 142.4(2) . . . . ?
Co2' B7' C8' B3' 31.2(2) . . . . ?
Co2' B7' C8' B4' -6.7(3) . . . . ?
Co2' B7' C8' B9' -73.4(3) . . . . ?
Co2' B7' C8' B12' -108.6(2) . . . . ?
Co2' B7' B11' B6' 47.3(2) . . . . ?
Co2' B7' B11' B10' 110.0(2) . . . . ?
Co2' B7' B11' B12' 146.5(2) . . . . ?
Co2' B7' B12' C8' 100.8(3) . . . . ?
Co2' B7' B12' B9' 66.2(3) . . . . ?
Co2' B7' B12' B10' 2.8(4) . . . . ?
Co2' B7' B12' B11' -33.9(2) . . . . ?
Co2' B11' B12' B7' 33.4(2) . . . . ?
Co2' B11' B12' C8' -6.5(3) . . . . ?
Co2' B11' B12' B9' -69.9(3) . . . . ?
Co2' B11' B12' B10' -105.9(3) . . . . ?
Co2' C21' C22' C23' -59.2(2) . . . . ?
Co2' C21' C25' C24' 59.4(2) . . . . ?
Co2' C22' C23' C24' -60.0(2) . . . . ?
Co2' C23' C24' C25' -60.2(2) . . . . ?
Co2' C24' C25' C21' -59.8(2) . . . . ?
B3' C1' B4' B5' 142.3(3) . . . . ?
B3' C1' B4' C8' 40.1(2) . . . . ?
B3' C1' B4' B9' 102.6(3) . . . . ?
B3' C1' B5' B4' -37.2(3) . . . . ?
B3' C1' B5' B6' 105.6(3) . . . . ?
B3' C1' B5' B9' 2.8(4) . . . . ?
B3' C1' B5' B10' 65.4(4) . . . . ?
B3' C1' B6' Co2' 45.5(2) . . . . ?
B3' C1' B6' B5' -106.9(3) . . . . ?
B3' C1' B6' B10' -67.6(3) . . . . ?
B3' C1' B6' B11' -5.5(3) . . . . ?
B3' B4' B5' C1' 33.4(2) . . . . ?
B3' B4' B5' B6' 0.5(4) . . . . ?
B3' B4' B5' B9' -101.1(3) . . . . ?
B3' B4' B5' B10' -63.2(3) . . . . ?
B3' B4' C8' C1 -111.8(3) . . . . ?
B3' B4' C8' B7' 38.3(3) . . . . ?
B3' B4' C8' B9' 140.4(3) . . . . ?
B3' B4' C8' B12' 104.8(3) . . . . ?
B3' B4' B9' B5' 101.1(3) . . . . ?
B3' B4' B9' C8' -35.1(2) . . . . ?
B3' B4' B9' B10' 63.4(3) . . . . ?
B3' B4' B9' B12' -1.0(4) . . . . ?
B3' B7' C8' C1 111.2(3) . . . . ?
B3' B7' C8' B4' -37.9(2) . . . . ?
B3' B7' C8' B9' -104.6(3) . . . . ?
B3' B7' C8' B12' -139.8(3) . . . . ?
B3' B7' B11' Co2' -47.16(19) . . . . ?
B3' B7' B11' B6' 0.1(3) . . . . ?
B3' B7' B11' B10' 62.8(3) . . . . ?
B3' B7' B11' B12' 99.3(3) . . . . ?
B3' B7' B12' C8' 34.5(2) . . . . ?
B3' B7' B12' B9' -0.1(4) . . . . ?
B3' B7' B12' B10' -63.5(3) . . . . ?
B3' B7' B12' B11' -100.2(3) . . . . ?
B3' C8' B9' B4' 37.5(3) . . . . ?
B3' C8' B9' B5' -0.9(4) . . . . ?
B3' C8' B9' B10' -63.8(3) . . . . ?
B3' C8' B9' B12' -104.0(3) . . . . ?
B3' C8' B12' B7' -38.6(2) . . . . ?
B3' C8' B12' B9' 103.6(3) . . . . ?
B3' C8' B12' B10' 64.3(3) . . . . ?
B3' C8' B12' B11' 1.3(3) . . . . ?
B4' C1' B3' Co2' -152.7(2) . . . . ?
B4' C1' B3' B7' -101.0(3) . . . . ?
B4' C1' B3' C8' -39.9(2) . . . . ?
B4' C1' B5' B6' 142.8(3) . . . . ?
B4' C1' B5' B9' 40.0(3) . . . . ?
B4' C1' B5' B10' 102.6(3) . . . . ?
B4' C1' B6' Co2' 116.4(2) . . . . ?
B4' C1' B6' B5' -36.0(3) . . . . ?
B4' C1' B6' B10' 3.3(3) . . . . ?
B4' C1' B6' B11' 65.4(3) . . . . ?
B4' B3' B7' Co2' -112.5(2) . . . . ?
B4' B3' B7' C8' 34.6(2) . . . . ?
B4' B3' B7' B11' -63.8(3) . . . . ?
B4' B3' B7' B12' -0.5(3) . . . . ?
B4' B3' C8' C1 107.7(3) . . . . ?
B4' B3' C8' B7' -140.7(3) . . . . ?
B4' B3' C8' B9' -36.9(3) . . . . ?
B4' B3' C8' B12' -103.1(3) . . . . ?
B4' B5' B6' C1' 32.6(2) . . . . ?
B4' B5' B6' Co2' 4.9(4) . . . . ?
B4' B5' B6' B10' -101.6(3) . . . . ?
B4' B5' B6' B11' -64.5(3) . . . . ?
B4' B5' B9' C8' 37.8(2) . . . . ?
B4' B5' B9' B10' 137.9(3) . . . . ?
B4' B5' B9' B12' 99.8(3) . . . . ?
B4' B5' B10' B6' 100.2(3) . . . . ?
B4' B5' B10' B9' -38.0(2) . . . . ?
B4' B5' B10' B11' 62.3(3) . . . . ?
B4' B5' B10' B12' -1.0(3) . . . . ?
B4' C8' B9' B5' -38.4(3) . . . . ?
B4' C8' B9' B10' -101.3(3) . . . . ?
B4' C8' B9' B12' -141.5(3) . . . . ?
B4' C8' B12' B7' -106.3(3) . . . . ?
B4' C8' B12' B9' 35.8(2) . . . . ?
B4' C8' B12' B10' -3.4(3) . . . . ?
B4' C8' B12' B11' -66.4(3) . . . . ?
B4' B9' B10' B5' 37.5(2) . . . . ?
B4' B9' B10' B6' -0.2(3) . . . . ?
B4' B9' B10' B11' -64.6(3) . . . . ?
B4' B9' B10' B12' -100.7(3) . . . . ?
B4' B9' B12' B7' 0.7(4) . . . . ?
B4' B9' B12' C8' -33.9(2) . . . . ?
B4' B9' B12' B10' 101.1(3) . . . . ?
B4' B9' B12' B11' 64.7(3) . . . . ?
B5' C1' B3' Co2' -116.1(3) . . . . ?
B5' C1' B3' B4' 36.6(3) . . . . ?
B5' C1' B3' B7' -64.4(3) . . . . ?
B5' C1' B3' C8' -3.3(4) . . . . ?
B5' C1' B4' B3' -142.3(3) . . . . ?
B5' C1' B4' C8' -102.2(3) . . . . ?
B5' C1' B4' B9' -39.7(2) . . . . ?
B5' C1' B6' Co2' 152.4(2) . . . . ?
B5' C1' B6' B10' 39.3(2) . . . . ?
B5' C1' B6' B11' 101.4(3) . . . . ?
B5' B4' C8' C1 146.3(3) . . . . ?
B5' B4' C8' B3' -101.9(3) . . . . ?
B5' B4' C8' B7' -63.6(3) . . . . ?
B5' B4' C8' B9' 38.6(2) . . . . ?
B5' B4' C8' B12' 2.9(3) . . . . ?
B5' B4' B9' C8' -136.3(3) . . . . ?
B5' B4' B9' B10' -37.7(2) . . . . ?
B5' B4' B9' B12' -102.2(3) . . . . ?
B5' B6' B10' B9' 37.2(2) . . . . ?
B5' B6' B10' B11' 138.3(3) . . . . ?
B5' B6' B10' B12' 100.2(3) . . . . ?
B5' B6' B11' Co2' 111.6(3) . . . . ?
B5' B6' B11' B7' 64.0(3) . . . . ?
B5' B6' B11' B10' -36.7(3) . . . . ?
B5' B6' B11' B12' 1.3(3) . . . . ?
B5' B9' B10' B6' -37.7(2) . . . . ?
B5' B9' B10' B11' -102.1(3) . . . . ?
B5' B9' B10' B12' -138.2(3) . . . . ?
B5' B9' B12' B7' -62.7(4) . . . . ?
B5' B9' B12' C8' -97.3(3) . . . . ?
B5' B9' B12' B10' 37.7(3) . . . . ?
B5' B9' B12' B11' 1.3(4) . . . . ?
B5' B10' B11' Co2' 6.5(4) . . . . ?
B5' B10' B11' B6' 37.9(3) . . . . ?
B5' B10' B11' B7' -63.1(3) . . . . ?
B5' B10' B11' B12' -99.3(3) . . . . ?
B5' B10' B12' B7' 65.9(3) . . . . ?
B5' B10' B12' C8' 2.7(3) . . . . ?
B5' B10' B12' B9' -37.0(2) . . . . ?
B5' B10' B12' B11' 102.6(3) . . . . ?
B6' C1' B3' Co2' -46.1(2) . . . . ?
B6' C1' B3' B4' 106.6(3) . . . . ?
B6' C1' B3' B7' 5.6(3) . . . . ?
B6' C1' B3' C8' 66.7(3) . . . . ?
B6' C1' B4' B3' -106.1(3) . . . . ?
B6' C1' B4' B5' 36.2(3) . . . . ?
B6' C1' B4' C8' -65.9(3) . . . . ?
B6' C1' B4' B9' -3.5(3) . . . . ?
B6' C1' B5' B4' -142.8(3) . . . . ?
B6' C1' B5' B9' -102.8(3) . . . . ?
B6' C1' B5' B10' -40.2(3) . . . . ?
B6' B5' B9' B4' -100.3(3) . . . . ?
B6' B5' B9' C8' -62.6(3) . . . . ?
B6' B5' B9' B10' 37.6(3) . . . . ?
B6' B5' B9' B12' -0.5(4) . . . . ?
B6' B5' B10' B9' -138.2(3) . . . . ?
B6' B5' B10' B11' -38.0(3) . . . . ?
B6' B5' B10' B12' -101.2(3) . . . . ?
B6' B10' B11' Co2' -31.5(2) . . . . ?
B6' B10' B11' B7' -101.0(3) . . . . ?
B6' B10' B11' B12' -137.2(3) . . . . ?
B6' B10' B12' B7' 1.9(4) . . . . ?
B6' B10' B12' C8' -61.4(3) . . . . ?
B6' B10' B12' B9' -101.0(3) . . . . ?
B6' B10' B12' B11' 38.5(3) . . . . ?
B6' B11' B12' B7' 101.7(3) . . . . ?
B6' B11' B12' C8' 61.8(3) . . . . ?
B6' B11' B12' B9' -1.6(3) . . . . ?
B6' B11' B12' B10' -37.6(3) . . . . ?
B7' B3' B4' C1' 98.1(3) . . . . ?
B7' B3' B4' B5' 64.2(3) . . . . ?
B7' B3' B4' C8' -34.8(2) . . . . ?
B7' B3' B4' B9' 1.0(3) . . . . ?
B7' B3' C8' C1 -111.6(3) . . . . ?
B7' B3' C8' B4' 140.7(3) . . . . ?
B7' B3' C8' B9' 103.8(3) . . . . ?
B7' B3' C8' B12' 37.6(2) . . . . ?
B7' C8' B9' B4' 106.2(3) . . . . ?
B7' C8' B9' B5' 67.9(3) . . . . ?
B7' C8' B9' B10' 4.9(3) . . . . ?
B7' C8' B9' B12' -35.2(2) . . . . ?
B7' C8' B12' B9' 142.1(3) . . . . ?
B7' C8' B12' B10' 102.9(3) . . . . ?
B7' C8' B12' B11' 39.9(2) . . . . ?
B7' B11' B12' C8' -39.9(2) . . . . ?
B7' B11' B12' B9' -103.3(3) . . . . ?
B7' B11' B12' B10' -139.3(3) . . . . ?
C8' C1 C2 Co3 109.3(2) . . . . ?
C8' C1 C2 B6 -97.1(3) . . . . ?
C8' C1 C2 B7 158.5(3) . . . . ?
C8' C1 C2 B11 -132.6(3) . . . . ?
C8' C1 B4 Co3 -107.4(3) . . . . ?
C8' C1 B4 B5 102.3(3) . . . . ?
C8' C1 B4 B8 -158.7(3) . . . . ?
C8' C1 B4 B9 140.0(3) . . . . ?
C8' C1 B5 B4 -120.4(3) . . . . ?
C8' C1 B5 B6 99.7(3) . . . . ?
C8' C1 B5 B9 -159.5(3) . . . . ?
C8' C1 B5 B10 137.5(3) . . . . ?
C8' C1 B6 C2 115.2(3) . . . . ?
C8' C1 B6 B5 -108.4(3) . . . . ?
C8' C1 B6 B10 -147.3(3) . . . . ?
C8' C1 B6 B11 148.6(3) . . . . ?
C8' B3' B4' C1' 132.9(3) . . . . ?
C8' B3' B4' B5' 99.0(3) . . . . ?
C8' B3' B4' B9' 35.7(3) . . . . ?
C8' B3' B7' Co2' -147.1(2) . . . . ?
C8' B3' B7' B11' -98.4(3) . . . . ?
C8' B3' B7' B12' -35.1(2) . . . . ?
C8' B4' B5' C1' 95.5(3) . . . . ?
C8' B4' B5' B6' 62.7(3) . . . . ?
C8' B4' B5' B9' -38.9(2) . . . . ?
C8' B4' B5' B10' -1.1(3) . . . . ?
C8' B4' B9' B5' 136.3(3) . . . . ?
C8' B4' B9' B10' 98.6(3) . . . . ?
C8' B4' B9' B12' 34.1(2) . . . . ?
C8' B7' B11' Co2' -107.3(2) . . . . ?
C8' B7' B11' B6' -60.0(3) . . . . ?
C8' B7' B11' B10' 2.7(3) . . . . ?
C8' B7' B11' B12' 39.2(2) . . . . ?
C8' B7' B12' B9' -34.6(2) . . . . ?
C8' B7' B12' B10' -98.0(3) . . . . ?
C8' B7' B12' B11' -134.7(3) . . . . ?
C8' B9' B10' B5' 99.1(3) . . . . ?
C8' B9' B10' B6' 61.3(3) . . . . ?
C8' B9' B10' B11' -3.0(3) . . . . ?
C8' B9' B10' B12' -39.2(2) . . . . ?
C8' B9' B12' B7' 34.6(2) . . . . ?
C8' B9' B12' B10' 135.0(3) . . . . ?
C8' B9' B12' B11' 98.6(3) . . . . ?
B9' B4' B5' C1' 134.4(3) . . . . ?
B9' B4' B5' B6' 101.6(3) . . . . ?
B9' B4' B5' B10' 37.9(2) . . . . ?
B9' B4' C8' C1 107.8(3) . . . . ?
B9' B4' C8' B3' -140.4(3) . . . . ?
B9' B4' C8' B7' -102.2(3) . . . . ?
B9' B4' C8' B12' -35.7(2) . . . . ?
B9' B5' B6' C1' 96.6(3) . . . . ?
B9' B5' B6' Co2' 69.0(3) . . . . ?
B9' B5' B6' B10' -37.6(3) . . . . ?
B9' B5' B6' B11' -0.5(4) . . . . ?
B9' B5' B10' B6' 138.2(3) . . . . ?
B9' B5' B10' B11' 100.3(3) . . . . ?
B9' B5' B10' B12' 37.0(2) . . . . ?
B9' C8' B12' B7' -142.1(3) . . . . ?
B9' C8' B12' B10' -39.2(2) . . . . ?
B9' C8' B12' B11' -102.2(3) . . . . ?
B9' B10' B11' Co2' 69.7(3) . . . . ?
B9' B10' B11' B6' 101.2(3) . . . . ?
B9' B10' B11' B7' 0.2(4) . . . . ?
B9' B10' B11' B12' -36.1(3) . . . . ?
B9' B10' B12' B7' 102.9(3) . . . . ?
B9' B10' B12' C8' 39.6(2) . . . . ?
B9' B10' B12' B11' 139.6(3) . . . . ?
B10' B5' B6' C1' 134.2(3) . . . . ?
B10' B5' B6' Co2' 106.5(3) . . . . ?
B10' B5' B6' B11' 37.1(2) . . . . ?
B10' B5' B9' B4' -137.9(3) . . . . ?
B10' B5' B9' C8' -100.1(3) . . . . ?
B10' B5' B9' B12' -38.1(3) . . . . ?
B10' B6' B11' Co2' 148.2(2) . . . . ?
B10' B6' B11' B7' 100.6(3) . . . . ?
B10' B6' B11' B12' 37.9(3) . . . . ?
B10' B9' B12' B7' -100.4(3) . . . . ?
B10' B9' B12' C8' -135.0(3) . . . . ?
B10' B9' B12' B11' -36.4(2) . . . . ?
B10' B11' B12' B7' 139.3(3) . . . . ?
B10' B11' B12' C8' 99.3(3) . . . . ?
B10' B11' B12' B9' 36.0(3) . . . . ?
B11' B6' B10' B5' -138.3(3) . . . . ?
B11' B6' B10' B9' -101.1(3) . . . . ?
B11' B6' B10' B12' -38.1(3) . . . . ?
B11' B7' C8' C1 -149.0(3) . . . . ?
B11' B7' C8' B3' 99.8(3) . . . . ?
B11' B7' C8' B4' 61.9(3) . . . . ?
B11' B7' C8' B9' -4.8(3) . . . . ?
B11' B7' C8' B12' -40.0(2) . . . . ?
B11' B7' B12' C8' 134.7(3) . . . . ?
B11' B7' B12' B9' 100.1(3) . . . . ?
B11' B7' B12' B10' 36.7(3) . . . . ?
B11' B10' B12' B7' -36.7(3) . . . . ?
B11' B10' B12' C8' -99.9(3) . . . . ?
B11' B10' B12' B9' -139.6(3) . . . . ?
B12' B7' C8' C1 -109.0(3) . . . . ?
B12' B7' C8' B3' 139.8(3) . . . . ?
B12' B7' C8' B4' 101.9(3) . . . . ?
B12' B7' C8' B9' 35.2(3) . . . . ?
B12' B7' B11' Co2' -146.5(2) . . . . ?
B12' B7' B11' B6' -99.2(3) . . . . ?
B12' B7' B11' B10' -36.5(3) . . . . ?
B12' C8' B9' B4' 141.5(3) . . . . ?
B12' C8' B9' B5' 103.1(3) . . . . ?
B12' C8' B9' B10' 40.1(3) . . . . ?
B12' B9' B10' B5' 138.2(3) . . . . ?
B12' B9' B10' B6' 100.5(3) . . . . ?
B12' B9' B10' B11' 36.1(2) . . . . ?
B12' B10' B11' Co2' 105.8(3) . . . . ?
B12' B10' B11' B6' 137.2(3) . . . . ?
B12' B10' B11' B7' 36.2(2) . . . . ?
C21' C22' C23' Co2' 59.7(2) . . . . ?
C21' C22' C23' C24' -0.3(4) . . . . ?
C22' C21' C25' Co2' -59.8(2) . . . . ?
C22' C21' C25' C24' -0.3(4) . . . . ?
C22' C23' C24' Co2' 60.3(2) . . . . ?
C22' C23' C24' C25' 0.1(4) . . . . ?
C23' C24' C25' Co2' 59.9(2) . . . . ?
C23' C24' C25' C21' 0.2(4) . . . . ?
C25' C21' C22' Co2' 59.6(2) . . . . ?
C25' C21' C22' C23' 0.4(4) . . . . ?

_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_4971
_database_code_depnum_ccdc_archive 'CCDC 1516778'
_audit_update_record             
;
2016-11-11 deposited with the CCDC.
2016-12-19 downloaded from the CCDC.
;
_audit_creation_date             2016-10-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H30 B18 Co2, C2 H3 N'
_chemical_formula_sum            'C16 H33 B18 Co2 N'
_chemical_formula_weight         551.87
_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'
N N 0.0061 0.0033 '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           9
_space_group_name_H-M_alt        'C 1 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'

_cell_length_a                   10.5603(5)
_cell_length_b                   26.9574(12)
_cell_length_c                   9.0101(4)
_cell_angle_alpha                90
_cell_angle_beta                 97.611(3)
_cell_angle_gamma                90
_cell_volume                     2542.4(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6462
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.511
_cell_measurement_theta_min      2.736
_shelx_estimated_absorpt_T_max   0.902
_shelx_estimated_absorpt_T_min   0.548
_exptl_absorpt_coefficient_mu    1.316
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6445
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0751 before and 0.0615 after correction.
The Ratio of minimum to maximum transmission is 0.8639.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_av_unetI/netI     0.0605
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            25633
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.027
_diffrn_reflns_theta_min         2.087
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_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         0.951
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.953
_reflns_number_gt                6539
_reflns_number_total             7256
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.676
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.069
_refine_ls_abs_structure_details 
;
 Flack x determined using 2760 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.022(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         7256
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0352
_refine_ls_restrained_S_all      0.984
_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)+(0.0267P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0633
_refine_ls_wR_factor_ref         0.0656
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.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')
2.b Idealised Me refined as rotating group:
 C1S(H1SA,H1SB,H1SC)
;
_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 0.8061(3) 0.11269(11) 0.2386(4) 0.0112(6) Uani 1 1 d . . . . .
C2 C 0.8891(3) 0.06137(12) 0.2139(4) 0.0116(6) Uani 1 1 d . . . . .
H2 H 0.878(3) 0.0469(12) 0.119(4) 0.014 Uiso 1 1 d R . . . .
Co3 Co 1.00290(4) 0.12285(2) 0.21248(4) 0.01138(10) Uani 1 1 d . . . . .
B4 B 0.8963(4) 0.14688(14) 0.3769(4) 0.0145(8) Uani 1 1 d . . . . .
H4 H 0.888(3) 0.1867(13) 0.373(4) 0.017 Uiso 1 1 d R . . . .
B5 B 0.7625(4) 0.11017(14) 0.4164(4) 0.0134(7) Uani 1 1 d . . . . .
H5 H 0.667(3) 0.1240(12) 0.435(4) 0.016 Uiso 1 1 d R . . . .
B6 B 0.7577(4) 0.05571(13) 0.3105(4) 0.0130(7) Uani 1 1 d . . . . .
H6 H 0.672(4) 0.0393(12) 0.260(4) 0.016 Uiso 1 1 d R . . . .
B7 B 1.0326(4) 0.05701(13) 0.3295(4) 0.0131(7) Uani 1 1 d . . . . .
H7 H 1.108(3) 0.0343(13) 0.290(4) 0.016 Uiso 1 1 d R . . . .
B8 B 1.0401(4) 0.11210(15) 0.4447(4) 0.0145(8) Uani 1 1 d . . . . .
H8 H 1.136(4) 0.1294(12) 0.501(4) 0.017 Uiso 1 1 d R . . . .
B9 B 0.9060(4) 0.11043(14) 0.5436(4) 0.0149(8) Uani 1 1 d . . . . .
H9 H 0.911(4) 0.1280(12) 0.654(4) 0.018 Uiso 1 1 d R . . . .
B10 B 0.8209(4) 0.05415(14) 0.5005(4) 0.0150(8) Uani 1 1 d . . . . .
H10 H 0.763(3) 0.0358(12) 0.578(4) 0.018 Uiso 1 1 d R . . . .
B11 B 0.8975(4) 0.02185(14) 0.3651(4) 0.0140(7) Uani 1 1 d . . . . .
H11 H 0.895(3) -0.0167(13) 0.338(4) 0.017 Uiso 1 1 d R . . . .
B12 B 0.9902(4) 0.05430(14) 0.5128(4) 0.0145(7) Uani 1 1 d . . . . .
H12 H 1.050(3) 0.0346(13) 0.596(4) 0.017 Uiso 1 1 d R . . . .
C31 C 1.1055(4) 0.11489(14) 0.0295(4) 0.0218(8) Uani 1 1 d . . . . .
H31 H 1.1024 0.0857 -0.0391 0.026 Uiso 1 1 calc R . . . .
C32 C 1.1870(4) 0.12044(15) 0.1666(4) 0.0247(9) Uani 1 1 d . . . . .
H32 H 1.2545 0.0966 0.2098 0.030 Uiso 1 1 calc R . . . .
C33 C 1.1598(3) 0.16750(14) 0.2278(4) 0.0219(8) Uani 1 1 d . . . . .
H33 H 1.2050 0.1824 0.3219 0.026 Uiso 1 1 calc R . . . .
C34 C 1.0634(3) 0.19022(13) 0.1297(4) 0.0176(7) Uani 1 1 d . . . . .
H34 H 1.0251 0.2235 0.1438 0.021 Uiso 1 1 calc R . . . .
C35 C 1.0307(3) 0.15830(13) 0.0060(4) 0.0168(7) Uani 1 1 d . . . . .
H35 H 0.9630 0.1646 -0.0805 0.020 Uiso 1 1 calc R . . . .
C1' C 0.7072(3) 0.13324(11) 0.1088(4) 0.0116(6) Uani 1 1 d . . . . .
C2' C 0.5512(3) 0.12472(12) 0.1098(4) 0.0157(7) Uani 1 1 d . . . . .
H2' H 0.533(3) 0.1072(13) 0.199(4) 0.019 Uiso 1 1 d R . . . .
Co3' Co 0.60018(4) 0.19663(2) 0.16105(4) 0.01250(10) Uani 1 1 d . . . . .
B4' B 0.7251(4) 0.18592(14) 0.0039(4) 0.0144(8) Uani 1 1 d . . . . .
H4' H 0.814(3) 0.2095(13) 0.035(4) 0.017 Uiso 1 1 d R . . . .
B5' B 0.7390(4) 0.12425(14) -0.0717(4) 0.0142(7) Uani 1 1 d . . . . .
H5' H 0.823(4) 0.1062(13) -0.082(4) 0.017 Uiso 1 1 d R . . . .
B6' B 0.6280(4) 0.08553(14) -0.0017(4) 0.0135(7) Uani 1 1 d . . . . .
H6' H 0.640(4) 0.0489(13) 0.025(4) 0.016 Uiso 1 1 d R . . . .
B7' B 0.4563(4) 0.16830(15) 0.0073(4) 0.0163(8) Uani 1 1 d . . . . .
H7' H 0.365(4) 0.1762(13) 0.028(4) 0.020 Uiso 1 1 d R . . . .
B8' B 0.5673(4) 0.20845(17) -0.0694(5) 0.0163(8) Uani 1 1 d . . . . .
H8' H 0.544(3) 0.2467(14) -0.102(4) 0.020 Uiso 1 1 d R . . . .
B9' B 0.6542(4) 0.17077(15) -0.1828(4) 0.0173(8) Uani 1 1 d . . . . .
H9' H 0.697(4) 0.1881(13) -0.282(5) 0.021 Uiso 1 1 d R . . . .
B10' B 0.5939(4) 0.10947(15) -0.1842(4) 0.0162(8) Uani 1 1 d . . . . .
H10' H 0.592(4) 0.0845(13) -0.274(4) 0.019 Uiso 1 1 d R . . . .
B11' B 0.4740(4) 0.10756(15) -0.0630(4) 0.0176(8) Uani 1 1 d . . . . .
H11' H 0.399(4) 0.0806(13) -0.064(4) 0.021 Uiso 1 1 d R . . . .
B12' B 0.4869(4) 0.15974(16) -0.1808(4) 0.0199(8) Uani 1 1 d . . . . .
H12' H 0.409(4) 0.1690(13) -0.275(4) 0.024 Uiso 1 1 d R . . . .
C31' C 0.6890(4) 0.25497(12) 0.2861(4) 0.0193(7) Uani 1 1 d . . . . .
H31' H 0.7787 0.2666 0.2844 0.023 Uiso 1 1 calc R . . . .
C32' C 0.6480(3) 0.22042(12) 0.3883(4) 0.0161(7) Uani 1 1 d . . . . .
H32' H 0.7042 0.2023 0.4687 0.019 Uiso 1 1 calc R . . . .
C33' C 0.5147(4) 0.21406(14) 0.3510(4) 0.0206(8) Uani 1 1 d . . . . .
H33' H 0.4595 0.1915 0.4028 0.025 Uiso 1 1 calc R . . . .
C34' C 0.4724(4) 0.24611(14) 0.2293(4) 0.0261(9) Uani 1 1 d . . . . .
H34' H 0.3820 0.2511 0.1827 0.031 Uiso 1 1 calc R . . . .
C35' C 0.5810(4) 0.27116(13) 0.1907(4) 0.0271(9) Uani 1 1 d . . . . .
H35' H 0.5805 0.2970 0.1110 0.033 Uiso 1 1 calc R . . . .
C2S C 0.3937(4) -0.04818(16) -0.0088(4) 0.0291(9) Uani 1 1 d . . . . .
N3S N 0.4225(3) -0.06969(16) -0.1072(4) 0.0445(10) Uani 1 1 d . . . . .
C1S C 0.3554(4) -0.02020(16) 0.1151(4) 0.0348(10) Uani 1 1 d . . . . .
H1SA H 0.3307 -0.0431 0.1906 0.052 Uiso 1 1 calc GR . . . .
H1SB H 0.2826 0.0011 0.0787 0.052 Uiso 1 1 calc GR . . . .
H1SC H 0.4269 0.0004 0.1599 0.052 Uiso 1 1 calc GR . . . .


_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 1.668(4) . ?
C1 Co3 2.140(3) . ?
C1 B4 1.731(5) . ?
C1 B5 1.725(5) . ?
C1 B6 1.768(5) . ?
C1 C1' 1.563(5) . ?
C2 H2 0.93(4) . ?
C2 Co3 2.049(3) . ?
C2 B6 1.739(5) . ?
C2 B7 1.726(5) . ?
C2 B11 1.722(5) . ?
Co3 B4 2.079(4) . ?
Co3 B7 2.067(4) . ?
Co3 B8 2.097(4) . ?
Co3 C31 2.100(4) . ?
Co3 C32 2.041(3) . ?
Co3 C33 2.038(3) . ?
Co3 C34 2.095(3) . ?
Co3 C35 2.146(3) . ?
B4 H4 1.08(4) . ?
B4 B5 1.799(5) . ?
B4 B8 1.820(6) . ?
B4 B9 1.786(5) . ?
B5 H5 1.10(3) . ?
B5 B6 1.748(5) . ?
B5 B9 1.774(6) . ?
B5 B10 1.764(5) . ?
B6 H6 1.06(4) . ?
B6 B10 1.754(5) . ?
B6 B11 1.750(5) . ?
B7 H7 1.10(3) . ?
B7 B8 1.807(5) . ?
B7 B11 1.777(5) . ?
B7 B12 1.769(5) . ?
B8 H8 1.17(4) . ?
B8 B9 1.771(5) . ?
B8 B12 1.780(5) . ?
B9 H9 1.10(4) . ?
B9 B10 1.780(5) . ?
B9 B12 1.795(5) . ?
B10 H10 1.10(3) . ?
B10 B11 1.778(5) . ?
B10 B12 1.776(5) . ?
B11 H11 1.07(4) . ?
B11 B12 1.775(6) . ?
B12 H12 1.06(4) . ?
C31 H31 1.0000 . ?
C31 C32 1.417(6) . ?
C31 C35 1.412(5) . ?
C32 H32 1.0000 . ?
C32 C33 1.428(6) . ?
C33 H33 1.0000 . ?
C33 C34 1.398(5) . ?
C34 H34 1.0000 . ?
C34 C35 1.414(5) . ?
C35 H35 1.0000 . ?
C1' C2' 1.664(5) . ?
C1' Co3' 2.135(3) . ?
C1' B4' 1.730(5) . ?
C1' B5' 1.721(5) . ?
C1' B6' 1.767(5) . ?
C2' H2' 0.98(4) . ?
C2' Co3' 2.043(3) . ?
C2' B6' 1.732(5) . ?
C2' B7' 1.730(5) . ?
C2' B11' 1.722(5) . ?
Co3' B4' 2.080(4) . ?
Co3' B7' 2.062(4) . ?
Co3' B8' 2.084(4) . ?
Co3' C31' 2.084(3) . ?
Co3' C32' 2.141(3) . ?
Co3' C33' 2.092(3) . ?
Co3' C34' 2.049(3) . ?
Co3' C35' 2.041(3) . ?
B4' H4' 1.13(4) . ?
B4' B5' 1.810(5) . ?
B4' B8' 1.814(6) . ?
B4' B9' 1.795(6) . ?
B5' H5' 1.02(4) . ?
B5' B6' 1.749(5) . ?
B5' B9' 1.772(5) . ?
B5' B10' 1.767(6) . ?
B6' H6' 1.02(3) . ?
B6' B10' 1.759(5) . ?
B6' B11' 1.751(6) . ?
B7' H7' 1.03(4) . ?
B7' B8' 1.799(6) . ?
B7' B11' 1.774(6) . ?
B7' B12' 1.782(5) . ?
B8' H8' 1.09(4) . ?
B8' B9' 1.779(6) . ?
B8' B12' 1.797(6) . ?
B9' H9' 1.15(4) . ?
B9' B10' 1.770(6) . ?
B9' B12' 1.794(6) . ?
B10' H10' 1.05(4) . ?
B10' B11' 1.778(5) . ?
B10' B12' 1.767(6) . ?
B11' H11' 1.08(4) . ?
B11' B12' 1.778(6) . ?
B12' H12' 1.13(4) . ?
C31' H31' 1.0000 . ?
C31' C32' 1.417(5) . ?
C31' C35' 1.404(6) . ?
C32' H32' 1.0000 . ?
C32' C33' 1.414(5) . ?
C33' H33' 1.0000 . ?
C33' C34' 1.421(6) . ?
C34' H34' 1.0000 . ?
C34' C35' 1.414(6) . ?
C35' H35' 1.0000 . ?
C2S N3S 1.134(5) . ?
C2S C1S 1.449(5) . ?
C1S H1SA 0.9800 . ?
C1S H1SB 0.9800 . ?
C1S H1SC 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 Co3 63.67(15) . . ?
C2 C1 B4 106.8(2) . . ?
C2 C1 B5 107.5(2) . . ?
C2 C1 B6 60.7(2) . . ?
B4 C1 Co3 63.95(16) . . ?
B4 C1 B6 110.9(2) . . ?
B5 C1 Co3 119.3(2) . . ?
B5 C1 B4 62.7(2) . . ?
B5 C1 B6 60.0(2) . . ?
B6 C1 Co3 118.9(2) . . ?
C1' C1 C2 120.3(2) . . ?
C1' C1 Co3 115.8(2) . . ?
C1' C1 B4 126.8(3) . . ?
C1' C1 B5 118.4(3) . . ?
C1' C1 B6 112.7(3) . . ?
C1 C2 H2 117(2) . . ?
C1 C2 Co3 69.45(16) . . ?
C1 C2 B6 62.49(19) . . ?
C1 C2 B7 114.3(3) . . ?
C1 C2 B11 112.4(2) . . ?
Co3 C2 H2 110(2) . . ?
B6 C2 H2 114(2) . . ?
B6 C2 Co3 125.6(2) . . ?
B7 C2 H2 121(2) . . ?
B7 C2 Co3 65.77(17) . . ?
B7 C2 B6 112.8(3) . . ?
B11 C2 H2 117(2) . . ?
B11 C2 Co3 122.5(2) . . ?
B11 C2 B6 60.7(2) . . ?
B11 C2 B7 62.0(2) . . ?
C1 Co3 C35 113.50(13) . . ?
C2 Co3 C1 46.88(12) . . ?
C2 Co3 B4 82.76(14) . . ?
C2 Co3 B7 49.58(14) . . ?
C2 Co3 B8 85.09(14) . . ?
C2 Co3 C31 106.65(14) . . ?
C2 Co3 C34 155.59(13) . . ?
C2 Co3 C35 120.90(13) . . ?
B4 Co3 C1 48.41(14) . . ?
B4 Co3 B8 51.66(16) . . ?
B4 Co3 C31 167.26(16) . . ?
B4 Co3 C34 101.70(15) . . ?
B4 Co3 C35 128.91(14) . . ?
B7 Co3 C1 85.29(14) . . ?
B7 Co3 B4 87.93(15) . . ?
B7 Co3 B8 51.44(15) . . ?
B7 Co3 C31 104.69(14) . . ?
B7 Co3 C34 153.27(15) . . ?
B7 Co3 C35 142.72(14) . . ?
B8 Co3 C1 85.92(14) . . ?
B8 Co3 C31 136.14(16) . . ?
B8 Co3 C35 153.82(14) . . ?
C31 Co3 C1 133.06(14) . . ?
C31 Co3 C35 38.83(13) . . ?
C32 Co3 C1 169.42(14) . . ?
C32 Co3 C2 123.43(15) . . ?
C32 Co3 B4 140.72(16) . . ?
C32 Co3 B7 89.53(15) . . ?
C32 Co3 B8 98.05(16) . . ?
C32 Co3 C31 39.98(15) . . ?
C32 Co3 C34 67.17(15) . . ?
C32 Co3 C35 66.13(14) . . ?
C33 Co3 C1 149.43(14) . . ?
C33 Co3 C2 161.81(14) . . ?
C33 Co3 B4 106.24(15) . . ?
C33 Co3 B7 113.92(15) . . ?
C33 Co3 B8 88.33(15) . . ?
C33 Co3 C31 67.31(15) . . ?
C33 Co3 C32 40.97(16) . . ?
C33 Co3 C34 39.51(14) . . ?
C33 Co3 C35 65.95(14) . . ?
C34 Co3 C1 119.78(13) . . ?
C34 Co3 B8 116.69(15) . . ?
C34 Co3 C31 66.16(14) . . ?
C34 Co3 C35 38.94(13) . . ?
C1 B4 Co3 67.64(16) . . ?
C1 B4 H4 118(2) . . ?
C1 B4 B5 58.5(2) . . ?
C1 B4 B8 108.8(3) . . ?
C1 B4 B9 106.1(3) . . ?
Co3 B4 H4 110(2) . . ?
B5 B4 Co3 118.9(2) . . ?
B5 B4 H4 120(2) . . ?
B5 B4 B8 107.0(3) . . ?
B8 B4 Co3 64.67(17) . . ?
B8 B4 H4 126(2) . . ?
B9 B4 Co3 116.9(2) . . ?
B9 B4 H4 125(2) . . ?
B9 B4 B5 59.3(2) . . ?
B9 B4 B8 58.8(2) . . ?
C1 B5 B4 58.8(2) . . ?
C1 B5 H5 119.2(19) . . ?
C1 B5 B6 61.2(2) . . ?
C1 B5 B9 106.8(3) . . ?
C1 B5 B10 108.1(2) . . ?
B4 B5 H5 126.7(17) . . ?
B6 B5 B4 108.7(3) . . ?
B6 B5 H5 113.9(18) . . ?
B6 B5 B9 108.4(3) . . ?
B6 B5 B10 59.9(2) . . ?
B9 B5 B4 60.0(2) . . ?
B9 B5 H5 128.0(19) . . ?
B10 B5 B4 108.5(3) . . ?
B10 B5 H5 119.8(17) . . ?
B10 B5 B9 60.4(2) . . ?
C1 B6 H6 118.4(19) . . ?
C2 B6 C1 56.79(18) . . ?
C2 B6 B5 103.4(3) . . ?
C2 B6 H6 121.0(19) . . ?
C2 B6 B10 105.4(3) . . ?
C2 B6 B11 59.1(2) . . ?
B5 B6 C1 58.77(19) . . ?
B5 B6 H6 123.2(19) . . ?
B5 B6 B10 60.5(2) . . ?
B5 B6 B11 108.8(3) . . ?
B10 B6 C1 106.7(3) . . ?
B10 B6 H6 127.4(19) . . ?
B11 B6 C1 106.4(3) . . ?
B11 B6 H6 123.3(19) . . ?
B11 B6 B10 61.0(2) . . ?
C2 B7 Co3 64.65(16) . . ?
C2 B7 H7 117.3(19) . . ?
C2 B7 B8 105.0(3) . . ?
C2 B7 B11 58.9(2) . . ?
C2 B7 B12 104.8(3) . . ?
Co3 B7 H7 112.5(18) . . ?
B8 B7 Co3 65.13(17) . . ?
B8 B7 H7 131.7(19) . . ?
B11 B7 Co3 118.6(2) . . ?
B11 B7 H7 113.1(18) . . ?
B11 B7 B8 108.1(3) . . ?
B12 B7 Co3 118.1(2) . . ?
B12 B7 H7 124.0(18) . . ?
B12 B7 B8 59.7(2) . . ?
B12 B7 B11 60.1(2) . . ?
Co3 B8 H8 114.4(17) . . ?
B4 B8 Co3 63.67(17) . . ?
B4 B8 H8 125.3(17) . . ?
B7 B8 Co3 63.43(17) . . ?
B7 B8 B4 105.0(3) . . ?
B7 B8 H8 123.0(17) . . ?
B9 B8 Co3 116.7(2) . . ?
B9 B8 B4 59.6(2) . . ?
B9 B8 B7 106.9(3) . . ?
B9 B8 H8 120.0(17) . . ?
B9 B8 B12 60.7(2) . . ?
B12 B8 Co3 116.1(2) . . ?
B12 B8 B4 107.2(3) . . ?
B12 B8 B7 59.1(2) . . ?
B12 B8 H8 118.7(17) . . ?
B4 B9 H9 121.2(18) . . ?
B4 B9 B12 107.9(3) . . ?
B5 B9 B4 60.7(2) . . ?
B5 B9 H9 122(2) . . ?
B5 B9 B10 59.5(2) . . ?
B5 B9 B12 107.2(3) . . ?
B8 B9 B4 61.5(2) . . ?
B8 B9 B5 110.3(3) . . ?
B8 B9 H9 120(2) . . ?
B8 B9 B10 109.0(3) . . ?
B8 B9 B12 59.9(2) . . ?
B10 B9 B4 108.3(3) . . ?
B10 B9 H9 121.9(19) . . ?
B10 B9 B12 59.6(2) . . ?
B12 B9 H9 122.4(19) . . ?
B5 B10 B9 60.1(2) . . ?
B5 B10 H10 117.7(18) . . ?
B5 B10 B11 106.8(2) . . ?
B5 B10 B12 108.5(3) . . ?
B6 B10 B5 59.6(2) . . ?
B6 B10 B9 108.0(3) . . ?
B6 B10 H10 117.2(19) . . ?
B6 B10 B11 59.4(2) . . ?
B6 B10 B12 108.1(3) . . ?
B9 B10 H10 123.3(18) . . ?
B11 B10 B9 107.8(3) . . ?
B11 B10 H10 123.7(18) . . ?
B12 B10 B9 60.7(2) . . ?
B12 B10 H10 126.7(19) . . ?
B12 B10 B11 59.9(2) . . ?
C2 B11 B6 60.1(2) . . ?
C2 B11 B7 59.1(2) . . ?
C2 B11 B10 105.0(3) . . ?
C2 B11 H11 115.1(19) . . ?
C2 B11 B12 104.7(3) . . ?
B6 B11 B7 109.8(3) . . ?
B6 B11 B10 59.6(2) . . ?
B6 B11 H11 117(2) . . ?
B6 B11 B12 108.3(3) . . ?
B7 B11 B10 108.1(3) . . ?
B7 B11 H11 118.2(19) . . ?
B10 B11 H11 129.4(19) . . ?
B12 B11 B7 59.7(2) . . ?
B12 B11 B10 60.0(2) . . ?
B12 B11 H11 130(2) . . ?
B7 B12 B8 61.2(2) . . ?
B7 B12 B9 107.5(3) . . ?
B7 B12 B10 108.6(3) . . ?
B7 B12 B11 60.2(2) . . ?
B7 B12 H12 118.9(19) . . ?
B8 B12 B9 59.4(2) . . ?
B8 B12 H12 121(2) . . ?
B9 B12 H12 125.1(19) . . ?
B10 B12 B8 108.8(3) . . ?
B10 B12 B9 59.8(2) . . ?
B10 B12 H12 123(2) . . ?
B11 B12 B8 109.4(3) . . ?
B11 B12 B9 107.2(3) . . ?
B11 B12 B10 60.1(2) . . ?
B11 B12 H12 120.2(19) . . ?
Co3 C31 H31 126.1 . . ?
C32 C31 Co3 67.8(2) . . ?
C32 C31 H31 126.1 . . ?
C35 C31 Co3 72.4(2) . . ?
C35 C31 H31 126.1 . . ?
C35 C31 C32 107.9(3) . . ?
Co3 C32 H32 126.2 . . ?
C31 C32 Co3 72.2(2) . . ?
C31 C32 H32 126.2 . . ?
C31 C32 C33 107.5(3) . . ?
C33 C32 Co3 69.4(2) . . ?
C33 C32 H32 126.2 . . ?
Co3 C33 H33 125.9 . . ?
C32 C33 Co3 69.6(2) . . ?
C32 C33 H33 125.9 . . ?
C34 C33 Co3 72.4(2) . . ?
C34 C33 C32 108.2(3) . . ?
C34 C33 H33 125.9 . . ?
Co3 C34 H34 125.9 . . ?
C33 C34 Co3 68.05(19) . . ?
C33 C34 H34 125.9 . . ?
C33 C34 C35 108.2(3) . . ?
C35 C34 Co3 72.47(19) . . ?
C35 C34 H34 125.9 . . ?
Co3 C35 H35 125.9 . . ?
C31 C35 Co3 68.8(2) . . ?
C31 C35 C34 108.2(3) . . ?
C31 C35 H35 125.9 . . ?
C34 C35 Co3 68.58(18) . . ?
C34 C35 H35 125.9 . . ?
C1 C1' C2' 120.7(3) . . ?
C1 C1' Co3' 116.1(2) . . ?
C1 C1' B4' 126.1(3) . . ?
C1 C1' B5' 117.6(3) . . ?
C1 C1' B6' 112.5(2) . . ?
C2' C1' Co3' 63.65(16) . . ?
C2' C1' B4' 107.2(3) . . ?
C2' C1' B5' 107.6(3) . . ?
C2' C1' B6' 60.5(2) . . ?
B4' C1' Co3' 64.09(16) . . ?
B4' C1' B6' 111.6(3) . . ?
B5' C1' Co3' 119.8(2) . . ?
B5' C1' B4' 63.3(2) . . ?
B5' C1' B6' 60.2(2) . . ?
B6' C1' Co3' 118.8(2) . . ?
C1' C2' H2' 112(2) . . ?
C1' C2' Co3' 69.47(16) . . ?
C1' C2' B6' 62.7(2) . . ?
C1' C2' B7' 114.0(3) . . ?
C1' C2' B11' 112.5(3) . . ?
Co3' C2' H2' 110(2) . . ?
B6' C2' H2' 110(2) . . ?
B6' C2' Co3' 125.9(2) . . ?
B7' C2' H2' 127(2) . . ?
B7' C2' Co3' 65.66(18) . . ?
B7' C2' B6' 112.8(3) . . ?
B11' C2' H2' 120(2) . . ?
B11' C2' Co3' 122.3(2) . . ?
B11' C2' B6' 60.9(2) . . ?
B11' C2' B7' 61.9(2) . . ?
C1' Co3' C32' 112.69(13) . . ?
C2' Co3' C1' 46.88(13) . . ?
C2' Co3' B4' 83.03(14) . . ?
C2' Co3' B7' 49.82(15) . . ?
C2' Co3' B8' 85.18(17) . . ?
C2' Co3' C31' 157.00(14) . . ?
C2' Co3' C32' 121.40(13) . . ?
C2' Co3' C33' 105.93(14) . . ?
C2' Co3' C34' 121.89(15) . . ?
B4' Co3' C1' 48.45(14) . . ?
B4' Co3' B8' 51.66(16) . . ?
B4' Co3' C31' 101.10(15) . . ?
B4' Co3' C32' 127.02(15) . . ?
B4' Co3' C33' 165.93(16) . . ?
B7' Co3' C1' 85.40(14) . . ?
B7' Co3' B4' 88.19(16) . . ?
B7' Co3' B8' 51.44(17) . . ?
B7' Co3' C31' 151.81(15) . . ?
B7' Co3' C32' 144.38(14) . . ?
B7' Co3' C33' 105.88(15) . . ?
B8' Co3' C1' 85.75(14) . . ?
B8' Co3' C31' 115.28(16) . . ?
B8' Co3' C32' 153.39(15) . . ?
B8' Co3' C33' 138.43(16) . . ?
C31' Co3' C1' 120.66(14) . . ?
C31' Co3' C32' 39.15(13) . . ?
C31' Co3' C33' 66.41(14) . . ?
C33' Co3' C1' 131.19(14) . . ?
C33' Co3' C32' 39.01(14) . . ?
C34' Co3' C1' 167.41(15) . . ?
C34' Co3' B4' 142.87(16) . . ?
C34' Co3' B7' 89.25(15) . . ?
C34' Co3' B8' 99.80(16) . . ?
C34' Co3' C31' 67.26(15) . . ?
C34' Co3' C32' 66.39(14) . . ?
C34' Co3' C33' 40.12(15) . . ?
C35' Co3' C1' 151.82(15) . . ?
C35' Co3' C2' 159.58(16) . . ?
C35' Co3' B4' 108.00(16) . . ?
C35' Co3' B7' 112.06(17) . . ?
C35' Co3' B8' 88.49(16) . . ?
C35' Co3' C31' 39.77(16) . . ?
C35' Co3' C32' 66.10(14) . . ?
C35' Co3' C33' 67.07(15) . . ?
C35' Co3' C34' 40.44(16) . . ?
C1' B4' Co3' 67.46(17) . . ?
C1' B4' H4' 118.2(18) . . ?
C1' B4' B5' 58.1(2) . . ?
C1' B4' B8' 108.2(3) . . ?
C1' B4' B9' 105.2(3) . . ?
Co3' B4' H4' 109.5(18) . . ?
B5' B4' Co3' 118.3(2) . . ?
B5' B4' H4' 120.0(18) . . ?
B5' B4' B8' 106.7(3) . . ?
B8' B4' Co3' 64.29(17) . . ?
B8' B4' H4' 126.1(18) . . ?
B9' B4' Co3' 116.5(2) . . ?
B9' B4' H4' 125.7(18) . . ?
B9' B4' B5' 58.9(2) . . ?
B9' B4' B8' 59.1(2) . . ?
C1' B5' B4' 58.6(2) . . ?
C1' B5' H5' 115(2) . . ?
C1' B5' B6' 61.2(2) . . ?
C1' B5' B9' 106.7(3) . . ?
C1' B5' B10' 108.1(3) . . ?
B4' B5' H5' 126(2) . . ?
B6' B5' B4' 108.7(3) . . ?
B6' B5' H5' 112(2) . . ?
B6' B5' B9' 108.3(3) . . ?
B6' B5' B10' 60.0(2) . . ?
B9' B5' B4' 60.2(2) . . ?
B9' B5' H5' 132(2) . . ?
B10' B5' B4' 108.4(3) . . ?
B10' B5' H5' 122(2) . . ?
B10' B5' B9' 60.0(2) . . ?
C1' B6' H6' 122(2) . . ?
C2' B6' C1' 56.81(19) . . ?
C2' B6' B5' 103.5(3) . . ?
C2' B6' H6' 120(2) . . ?
C2' B6' B10' 105.3(3) . . ?
C2' B6' B11' 59.3(2) . . ?
B5' B6' C1' 58.6(2) . . ?
B5' B6' H6' 127(2) . . ?
B5' B6' B10' 60.5(2) . . ?
B5' B6' B11' 108.8(3) . . ?
B10' B6' C1' 106.4(3) . . ?
B10' B6' H6' 126(2) . . ?
B11' B6' C1' 106.3(3) . . ?
B11' B6' H6' 119(2) . . ?
B11' B6' B10' 60.9(2) . . ?
C2' B7' Co3' 64.52(18) . . ?
C2' B7' H7' 122(2) . . ?
C2' B7' B8' 104.6(3) . . ?
C2' B7' B11' 58.9(2) . . ?
C2' B7' B12' 104.8(3) . . ?
Co3' B7' H7' 115(2) . . ?
B8' B7' Co3' 64.9(2) . . ?
B8' B7' H7' 128(2) . . ?
B11' B7' Co3' 118.6(2) . . ?
B11' B7' H7' 114(2) . . ?
B11' B7' B8' 108.3(3) . . ?
B11' B7' B12' 60.0(2) . . ?
B12' B7' Co3' 118.5(2) . . ?
B12' B7' H7' 119(2) . . ?
B12' B7' B8' 60.2(2) . . ?
Co3' B8' H8' 114.6(19) . . ?
B4' B8' Co3' 64.06(18) . . ?
B4' B8' H8' 125(2) . . ?
B7' B8' Co3' 63.67(18) . . ?
B7' B8' B4' 105.8(3) . . ?
B7' B8' H8' 122.4(19) . . ?
B9' B8' Co3' 117.0(3) . . ?
B9' B8' B4' 59.9(2) . . ?
B9' B8' B7' 106.8(3) . . ?
B9' B8' H8' 119.9(19) . . ?
B9' B8' B12' 60.2(2) . . ?
B12' B8' Co3' 116.7(3) . . ?
B12' B8' B4' 107.6(3) . . ?
B12' B8' B7' 59.4(2) . . ?
B12' B8' H8' 118(2) . . ?
B4' B9' H9' 119(2) . . ?
B5' B9' B4' 61.0(2) . . ?
B5' B9' B8' 109.9(3) . . ?
B5' B9' H9' 120.4(19) . . ?
B5' B9' B12' 107.6(3) . . ?
B8' B9' B4' 61.0(2) . . ?
B8' B9' H9' 119.9(18) . . ?
B8' B9' B12' 60.4(2) . . ?
B10' B9' B4' 108.9(3) . . ?
B10' B9' B5' 59.9(2) . . ?
B10' B9' B8' 108.9(3) . . ?
B10' B9' H9' 123.3(18) . . ?
B10' B9' B12' 59.4(2) . . ?
B12' B9' B4' 108.5(3) . . ?
B12' B9' H9' 124(2) . . ?
B5' B10' B9' 60.1(2) . . ?
B5' B10' H10' 121(2) . . ?
B5' B10' B11' 106.8(3) . . ?
B6' B10' B5' 59.5(2) . . ?
B6' B10' B9' 107.9(3) . . ?
B6' B10' H10' 117.7(19) . . ?
B6' B10' B11' 59.3(2) . . ?
B6' B10' B12' 108.5(3) . . ?
B9' B10' H10' 124.9(19) . . ?
B9' B10' B11' 107.9(3) . . ?
B11' B10' H10' 121(2) . . ?
B12' B10' B5' 109.0(3) . . ?
B12' B10' B9' 60.9(2) . . ?
B12' B10' H10' 124(2) . . ?
B12' B10' B11' 60.2(2) . . ?
C2' B11' B6' 59.8(2) . . ?
C2' B11' B7' 59.3(2) . . ?
C2' B11' B10' 104.9(3) . . ?
C2' B11' H11' 117(2) . . ?
C2' B11' B12' 105.2(3) . . ?
B6' B11' B7' 109.7(3) . . ?
B6' B11' B10' 59.8(2) . . ?
B6' B11' H11' 115(2) . . ?
B6' B11' B12' 108.4(3) . . ?
B7' B11' B10' 108.0(3) . . ?
B7' B11' H11' 120.8(19) . . ?
B7' B11' B12' 60.2(2) . . ?
B10' B11' H11' 127.0(19) . . ?
B12' B11' B10' 59.6(2) . . ?
B12' B11' H11' 130(2) . . ?
B7' B12' B8' 60.4(2) . . ?
B7' B12' B9' 106.9(3) . . ?
B7' B12' H12' 118.6(19) . . ?
B8' B12' H12' 120.1(19) . . ?
B9' B12' B8' 59.4(2) . . ?
B9' B12' H12' 125.4(19) . . ?
B10' B12' B7' 108.2(3) . . ?
B10' B12' B8' 108.3(3) . . ?
B10' B12' B9' 59.6(2) . . ?
B10' B12' B11' 60.2(2) . . ?
B10' B12' H12' 124.2(19) . . ?
B11' B12' B7' 59.8(2) . . ?
B11' B12' B8' 108.2(3) . . ?
B11' B12' B9' 106.9(3) . . ?
B11' B12' H12' 121.1(19) . . ?
Co3' C31' H31' 126.0 . . ?
C32' C31' Co3' 72.61(19) . . ?
C32' C31' H31' 126.0 . . ?
C35' C31' Co3' 68.4(2) . . ?
C35' C31' H31' 126.0 . . ?
C35' C31' C32' 108.0(3) . . ?
Co3' C32' H32' 126.1 . . ?
C31' C32' Co3' 68.24(19) . . ?
C31' C32' H32' 126.1 . . ?
C33' C32' Co3' 68.6(2) . . ?
C33' C32' C31' 107.8(3) . . ?
C33' C32' H32' 126.1 . . ?
Co3' C33' H33' 125.9 . . ?
C32' C33' Co3' 72.39(19) . . ?
C32' C33' H33' 125.9 . . ?
C32' C33' C34' 108.1(3) . . ?
C34' C33' Co3' 68.33(19) . . ?
C34' C33' H33' 125.9 . . ?
Co3' C34' H34' 126.3 . . ?
C33' C34' Co3' 71.5(2) . . ?
C33' C34' H34' 126.3 . . ?
C35' C34' Co3' 69.45(19) . . ?
C35' C34' C33' 107.3(3) . . ?
C35' C34' H34' 126.3 . . ?
Co3' C35' H35' 125.6 . . ?
C31' C35' Co3' 71.8(2) . . ?
C31' C35' C34' 108.7(3) . . ?
C31' C35' H35' 125.6 . . ?
C34' C35' Co3' 70.1(2) . . ?
C34' C35' H35' 125.6 . . ?
N3S C2S C1S 179.0(5) . . ?
C2S C1S H1SA 109.5 . . ?
C2S C1S H1SB 109.5 . . ?
C2S C1S H1SC 109.5 . . ?
H1SA C1S H1SB 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 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 B6 B5 -37.5(2) . . . . ?
C1 C2 B6 B10 -100.2(3) . . . . ?
C1 C2 B6 B11 -141.6(3) . . . . ?
C1 C2 B7 Co3 -51.3(2) . . . . ?
C1 C2 B7 B8 1.2(3) . . . . ?
C1 C2 B7 B11 103.5(3) . . . . ?
C1 C2 B7 B12 63.2(3) . . . . ?
C1 C2 B11 B6 36.6(3) . . . . ?
C1 C2 B11 B7 -106.5(3) . . . . ?
C1 C2 B11 B10 -4.1(3) . . . . ?
C1 C2 B11 B12 -66.4(3) . . . . ?
C1 B4 B5 B6 36.9(3) . . . . ?
C1 B4 B5 B9 137.8(3) . . . . ?
C1 B4 B5 B10 100.4(3) . . . . ?
C1 B4 B8 Co3 52.7(2) . . . . ?
C1 B4 B8 B7 3.2(3) . . . . ?
C1 B4 B8 B9 -97.8(3) . . . . ?
C1 B4 B8 B12 -58.5(3) . . . . ?
C1 B4 B9 B5 -36.6(2) . . . . ?
C1 B4 B9 B8 102.6(3) . . . . ?
C1 B4 B9 B10 0.4(3) . . . . ?
C1 B4 B9 B12 63.5(3) . . . . ?
C1 B5 B6 C2 36.6(2) . . . . ?
C1 B5 B6 B10 136.8(3) . . . . ?
C1 B5 B6 B11 98.2(3) . . . . ?
C1 B5 B9 B4 36.9(2) . . . . ?
C1 B5 B9 B8 -1.0(3) . . . . ?
C1 B5 B9 B10 -101.7(3) . . . . ?
C1 B5 B9 B12 -64.5(3) . . . . ?
C1 B5 B10 B6 -39.1(2) . . . . ?
C1 B5 B10 B9 99.5(3) . . . . ?
C1 B5 B10 B11 -1.7(4) . . . . ?
C1 B5 B10 B12 61.5(3) . . . . ?
C1 B6 B10 B5 37.7(2) . . . . ?
C1 B6 B10 B9 0.6(3) . . . . ?
C1 B6 B10 B11 -99.8(3) . . . . ?
C1 B6 B10 B12 -63.5(3) . . . . ?
C1 B6 B11 C2 -32.8(2) . . . . ?
C1 B6 B11 B7 0.4(3) . . . . ?
C1 B6 B11 B10 100.3(3) . . . . ?
C1 B6 B11 B12 64.0(3) . . . . ?
C1 C1' C2' Co3' 106.0(3) . . . . ?
C1 C1' C2' B6' -100.1(3) . . . . ?
C1 C1' C2' B7' 155.6(3) . . . . ?
C1 C1' C2' B11' -136.4(3) . . . . ?
C1 C1' B4' Co3' -104.5(3) . . . . ?
C1 C1' B4' B5' 105.9(3) . . . . ?
C1 C1' B4' B8' -155.4(3) . . . . ?
C1 C1' B4' B9' 142.7(3) . . . . ?
C1 C1' B5' B4' -118.8(3) . . . . ?
C1 C1' B5' B6' 101.4(3) . . . . ?
C1 C1' B5' B9' -156.5(3) . . . . ?
C1 C1' B5' B10' 140.3(3) . . . . ?
C1 C1' B6' C2' 113.6(3) . . . . ?
C1 C1' B6' B5' -109.9(3) . . . . ?
C1 C1' B6' B10' -148.5(3) . . . . ?
C1 C1' B6' B11' 147.7(3) . . . . ?
C2 C1 B4 Co3 48.47(19) . . . . ?
C2 C1 B4 B5 -101.4(3) . . . . ?
C2 C1 B4 B8 -2.6(3) . . . . ?
C2 C1 B4 B9 -64.5(3) . . . . ?
C2 C1 B5 B4 100.3(3) . . . . ?
C2 C1 B5 B6 -39.3(3) . . . . ?
C2 C1 B5 B9 62.9(3) . . . . ?
C2 C1 B5 B10 -0.8(3) . . . . ?
C2 C1 B6 B5 136.2(3) . . . . ?
C2 C1 B6 B10 97.7(3) . . . . ?
C2 C1 B6 B11 33.8(2) . . . . ?
C2 C1 C1' C2' 102.9(3) . . . . ?
C2 C1 C1' Co3' 176.4(2) . . . . ?
C2 C1 C1' B4' -107.8(3) . . . . ?
C2 C1 C1' B5' -32.1(4) . . . . ?
C2 C1 C1' B6' 34.9(4) . . . . ?
C2 B6 B10 B5 97.0(3) . . . . ?
C2 B6 B10 B9 59.9(3) . . . . ?
C2 B6 B10 B11 -40.5(2) . . . . ?
C2 B6 B10 B12 -4.2(3) . . . . ?
C2 B6 B11 B7 33.2(2) . . . . ?
C2 B6 B11 B10 133.1(3) . . . . ?
C2 B6 B11 B12 96.8(3) . . . . ?
C2 B7 B8 Co3 -52.22(19) . . . . ?
C2 B7 B8 B4 -2.6(3) . . . . ?
C2 B7 B8 B9 59.7(3) . . . . ?
C2 B7 B8 B12 98.6(3) . . . . ?
C2 B7 B11 B6 -33.6(2) . . . . ?
C2 B7 B11 B10 -97.0(3) . . . . ?
C2 B7 B11 B12 -133.8(3) . . . . ?
C2 B7 B12 B8 -98.9(3) . . . . ?
C2 B7 B12 B9 -60.4(3) . . . . ?
C2 B7 B12 B10 2.8(3) . . . . ?
C2 B7 B12 B11 39.7(2) . . . . ?
C2 B11 B12 B7 -39.8(2) . . . . ?
C2 B11 B12 B8 -2.0(3) . . . . ?
C2 B11 B12 B9 60.9(3) . . . . ?
C2 B11 B12 B10 99.1(3) . . . . ?
Co3 C1 C2 B6 153.6(2) . . . . ?
Co3 C1 C2 B7 49.5(2) . . . . ?
Co3 C1 C2 B11 117.7(3) . . . . ?
Co3 C1 B4 B5 -149.9(2) . . . . ?
Co3 C1 B4 B8 -51.0(2) . . . . ?
Co3 C1 B4 B9 -112.9(2) . . . . ?
Co3 C1 B5 B4 31.1(2) . . . . ?
Co3 C1 B5 B6 -108.4(2) . . . . ?
Co3 C1 B5 B9 -6.3(3) . . . . ?
Co3 C1 B5 B10 -69.9(3) . . . . ?
Co3 C1 B6 C2 -27.1(2) . . . . ?
Co3 C1 B6 B5 109.1(3) . . . . ?
Co3 C1 B6 B10 70.6(3) . . . . ?
Co3 C1 B6 B11 6.7(3) . . . . ?
Co3 C1 C1' C2' 176.2(2) . . . . ?
Co3 C1 C1' Co3' -110.3(2) . . . . ?
Co3 C1 C1' B4' -34.5(4) . . . . ?
Co3 C1 C1' B5' 41.2(3) . . . . ?
Co3 C1 C1' B6' 108.1(2) . . . . ?
Co3 C2 B6 C1 30.8(2) . . . . ?
Co3 C2 B6 B5 -6.7(4) . . . . ?
Co3 C2 B6 B10 -69.4(3) . . . . ?
Co3 C2 B6 B11 -110.8(3) . . . . ?
Co3 C2 B7 B8 52.5(2) . . . . ?
Co3 C2 B7 B11 154.8(2) . . . . ?
Co3 C2 B7 B12 114.5(2) . . . . ?
Co3 C2 B11 B6 115.7(3) . . . . ?
Co3 C2 B11 B7 -27.4(2) . . . . ?
Co3 C2 B11 B10 75.1(3) . . . . ?
Co3 C2 B11 B12 12.8(3) . . . . ?
Co3 B4 B5 C1 -32.0(2) . . . . ?
Co3 B4 B5 B6 4.9(4) . . . . ?
Co3 B4 B5 B9 105.8(3) . . . . ?
Co3 B4 B5 B10 68.4(3) . . . . ?
Co3 B4 B8 B7 -49.5(2) . . . . ?
Co3 B4 B8 B9 -150.5(2) . . . . ?
Co3 B4 B8 B12 -111.2(2) . . . . ?
Co3 B4 B9 B5 -109.2(3) . . . . ?
Co3 B4 B9 B8 29.9(2) . . . . ?
Co3 B4 B9 B10 -72.2(3) . . . . ?
Co3 B4 B9 B12 -9.2(4) . . . . ?
Co3 B7 B8 B4 49.6(2) . . . . ?
Co3 B7 B8 B9 111.9(3) . . . . ?
Co3 B7 B8 B12 150.9(2) . . . . ?
Co3 B7 B11 C2 26.0(2) . . . . ?
Co3 B7 B11 B6 -7.6(4) . . . . ?
Co3 B7 B11 B10 -71.0(3) . . . . ?
Co3 B7 B11 B12 -107.8(3) . . . . ?
Co3 B7 B12 B8 -30.1(2) . . . . ?
Co3 B7 B12 B9 8.4(4) . . . . ?
Co3 B7 B12 B10 71.6(3) . . . . ?
Co3 B7 B12 B11 108.6(3) . . . . ?
Co3 B8 B9 B4 -29.6(2) . . . . ?
Co3 B8 B9 B5 7.9(4) . . . . ?
Co3 B8 B9 B10 71.5(3) . . . . ?
Co3 B8 B9 B12 106.5(3) . . . . ?
Co3 B8 B12 B7 29.0(2) . . . . ?
Co3 B8 B12 B9 -107.4(3) . . . . ?
Co3 B8 B12 B10 -72.4(3) . . . . ?
Co3 B8 B12 B11 -8.4(4) . . . . ?
Co3 C31 C32 C33 -60.8(2) . . . . ?
Co3 C31 C35 C34 57.3(2) . . . . ?
Co3 C32 C33 C34 -62.6(2) . . . . ?
Co3 C33 C34 C35 -61.7(2) . . . . ?
Co3 C34 C35 C31 -57.5(2) . . . . ?
B4 C1 C2 Co3 -48.62(19) . . . . ?
B4 C1 C2 B6 105.0(3) . . . . ?
B4 C1 C2 B7 0.9(3) . . . . ?
B4 C1 C2 B11 69.1(3) . . . . ?
B4 C1 B5 B6 -139.6(3) . . . . ?
B4 C1 B5 B9 -37.4(2) . . . . ?
B4 C1 B5 B10 -101.0(3) . . . . ?
B4 C1 B6 C2 -98.1(3) . . . . ?
B4 C1 B6 B5 38.1(3) . . . . ?
B4 C1 B6 B10 -0.3(3) . . . . ?
B4 C1 B6 B11 -64.3(3) . . . . ?
B4 C1 C1' C2' -108.2(3) . . . . ?
B4 C1 C1' Co3' -34.7(4) . . . . ?
B4 C1 C1' B4' 41.1(5) . . . . ?
B4 C1 C1' B5' 116.8(3) . . . . ?
B4 C1 C1' B6' -176.2(3) . . . . ?
B4 B5 B6 C1 -35.8(2) . . . . ?
B4 B5 B6 C2 0.7(3) . . . . ?
B4 B5 B6 B10 101.0(3) . . . . ?
B4 B5 B6 B11 62.3(3) . . . . ?
B4 B5 B9 B8 -37.8(3) . . . . ?
B4 B5 B9 B10 -138.5(3) . . . . ?
B4 B5 B9 B12 -101.3(3) . . . . ?
B4 B5 B10 B6 -101.4(3) . . . . ?
B4 B5 B10 B9 37.2(2) . . . . ?
B4 B5 B10 B11 -64.0(3) . . . . ?
B4 B5 B10 B12 -0.8(3) . . . . ?
B4 B8 B9 B5 37.5(3) . . . . ?
B4 B8 B9 B10 101.0(3) . . . . ?
B4 B8 B9 B12 136.0(3) . . . . ?
B4 B8 B12 B7 97.6(3) . . . . ?
B4 B8 B12 B9 -38.8(2) . . . . ?
B4 B8 B12 B10 -3.8(3) . . . . ?
B4 B8 B12 B11 60.2(3) . . . . ?
B4 B9 B10 B5 -37.5(2) . . . . ?
B4 B9 B10 B6 -0.6(3) . . . . ?
B4 B9 B10 B11 62.1(3) . . . . ?
B4 B9 B10 B12 100.5(3) . . . . ?
B4 B9 B12 B7 0.5(4) . . . . ?
B4 B9 B12 B8 39.9(3) . . . . ?
B4 B9 B12 B10 -101.2(3) . . . . ?
B4 B9 B12 B11 -62.8(3) . . . . ?
B5 C1 C2 Co3 -114.6(2) . . . . ?
B5 C1 C2 B6 39.0(3) . . . . ?
B5 C1 C2 B7 -65.1(3) . . . . ?
B5 C1 C2 B11 3.1(3) . . . . ?
B5 C1 B4 Co3 149.9(2) . . . . ?
B5 C1 B4 B8 98.8(3) . . . . ?
B5 C1 B4 B9 36.9(2) . . . . ?
B5 C1 B6 C2 -136.2(3) . . . . ?
B5 C1 B6 B10 -38.5(2) . . . . ?
B5 C1 B6 B11 -102.4(3) . . . . ?
B5 C1 C1' C2' -32.4(4) . . . . ?
B5 C1 C1' Co3' 41.1(3) . . . . ?
B5 C1 C1' B4' 116.9(3) . . . . ?
B5 C1 C1' B5' -167.4(3) . . . . ?
B5 C1 C1' B6' -100.5(3) . . . . ?
B5 B4 B8 Co3 114.5(2) . . . . ?
B5 B4 B8 B7 65.0(3) . . . . ?
B5 B4 B8 B9 -36.0(2) . . . . ?
B5 B4 B8 B12 3.3(3) . . . . ?
B5 B4 B9 B8 139.1(3) . . . . ?
B5 B4 B9 B10 37.0(2) . . . . ?
B5 B4 B9 B12 100.0(3) . . . . ?
B5 B6 B10 B9 -37.1(3) . . . . ?
B5 B6 B10 B11 -137.5(3) . . . . ?
B5 B6 B10 B12 -101.2(3) . . . . ?
B5 B6 B11 C2 -94.7(3) . . . . ?
B5 B6 B11 B7 -61.5(3) . . . . ?
B5 B6 B11 B10 38.4(2) . . . . ?
B5 B6 B11 B12 2.1(3) . . . . ?
B5 B9 B10 B6 36.8(2) . . . . ?
B5 B9 B10 B11 99.6(3) . . . . ?
B5 B9 B10 B12 137.9(3) . . . . ?
B5 B9 B12 B7 64.5(3) . . . . ?
B5 B9 B12 B8 103.9(3) . . . . ?
B5 B9 B12 B10 -37.2(2) . . . . ?
B5 B9 B12 B11 1.1(3) . . . . ?
B5 B10 B11 C2 3.4(3) . . . . ?
B5 B10 B11 B6 -37.5(3) . . . . ?
B5 B10 B11 B7 65.2(3) . . . . ?
B5 B10 B11 B12 102.0(3) . . . . ?
B5 B10 B12 B7 -62.2(3) . . . . ?
B5 B10 B12 B8 2.9(3) . . . . ?
B5 B10 B12 B9 37.7(2) . . . . ?
B5 B10 B12 B11 -99.2(3) . . . . ?
B6 C1 C2 Co3 -153.6(2) . . . . ?
B6 C1 C2 B7 -104.1(3) . . . . ?
B6 C1 C2 B11 -35.9(3) . . . . ?
B6 C1 B4 Co3 112.9(2) . . . . ?
B6 C1 B4 B5 -37.0(2) . . . . ?
B6 C1 B4 B8 61.9(3) . . . . ?
B6 C1 B4 B9 0.0(3) . . . . ?
B6 C1 B5 B4 139.6(3) . . . . ?
B6 C1 B5 B9 102.2(3) . . . . ?
B6 C1 B5 B10 38.5(3) . . . . ?
B6 C1 C1' C2' 34.6(4) . . . . ?
B6 C1 C1' Co3' 108.1(2) . . . . ?
B6 C1 C1' B4' -176.1(3) . . . . ?
B6 C1 C1' B5' -100.4(3) . . . . ?
B6 C1 C1' B6' -33.4(3) . . . . ?
B6 C2 B7 Co3 -120.2(2) . . . . ?
B6 C2 B7 B8 -67.7(3) . . . . ?
B6 C2 B7 B11 34.6(2) . . . . ?
B6 C2 B7 B12 -5.7(3) . . . . ?
B6 C2 B11 B7 -143.1(3) . . . . ?
B6 C2 B11 B10 -40.7(2) . . . . ?
B6 C2 B11 B12 -103.0(3) . . . . ?
B6 B5 B9 B4 101.4(3) . . . . ?
B6 B5 B9 B8 63.6(3) . . . . ?
B6 B5 B9 B10 -37.1(2) . . . . ?
B6 B5 B9 B12 0.1(3) . . . . ?
B6 B5 B10 B9 138.6(3) . . . . ?
B6 B5 B10 B11 37.4(3) . . . . ?
B6 B5 B10 B12 100.6(3) . . . . ?
B6 B10 B11 C2 40.9(2) . . . . ?
B6 B10 B11 B7 102.8(3) . . . . ?
B6 B10 B11 B12 139.5(3) . . . . ?
B6 B10 B12 B7 1.0(3) . . . . ?
B6 B10 B12 B8 66.0(3) . . . . ?
B6 B10 B12 B9 100.9(3) . . . . ?
B6 B10 B12 B11 -36.0(2) . . . . ?
B6 B11 B12 B7 -102.7(3) . . . . ?
B6 B11 B12 B8 -64.8(3) . . . . ?
B6 B11 B12 B9 -2.0(3) . . . . ?
B6 B11 B12 B10 36.2(2) . . . . ?
B7 C2 B6 C1 106.5(3) . . . . ?
B7 C2 B6 B5 69.0(3) . . . . ?
B7 C2 B6 B10 6.3(3) . . . . ?
B7 C2 B6 B11 -35.1(3) . . . . ?
B7 C2 B11 B6 143.1(3) . . . . ?
B7 C2 B11 B10 102.4(3) . . . . ?
B7 C2 B11 B12 40.1(2) . . . . ?
B7 B8 B9 B4 -97.8(3) . . . . ?
B7 B8 B9 B5 -60.4(3) . . . . ?
B7 B8 B9 B10 3.2(4) . . . . ?
B7 B8 B9 B12 38.2(2) . . . . ?
B7 B8 B12 B9 -136.4(3) . . . . ?
B7 B8 B12 B10 -101.4(3) . . . . ?
B7 B8 B12 B11 -37.4(3) . . . . ?
B7 B11 B12 B8 37.9(3) . . . . ?
B7 B11 B12 B9 100.7(3) . . . . ?
B7 B11 B12 B10 138.9(3) . . . . ?
B8 B4 B5 C1 -102.0(3) . . . . ?
B8 B4 B5 B6 -65.1(3) . . . . ?
B8 B4 B5 B9 35.8(2) . . . . ?
B8 B4 B5 B10 -1.6(3) . . . . ?
B8 B4 B9 B5 -139.1(3) . . . . ?
B8 B4 B9 B10 -102.2(3) . . . . ?
B8 B4 B9 B12 -39.1(3) . . . . ?
B8 B7 B11 C2 96.9(3) . . . . ?
B8 B7 B11 B6 63.3(3) . . . . ?
B8 B7 B11 B10 0.0(3) . . . . ?
B8 B7 B11 B12 -36.8(3) . . . . ?
B8 B7 B12 B9 38.5(3) . . . . ?
B8 B7 B12 B10 101.7(3) . . . . ?
B8 B7 B12 B11 138.7(3) . . . . ?
B8 B9 B10 B5 -102.8(3) . . . . ?
B8 B9 B10 B6 -66.0(3) . . . . ?
B8 B9 B10 B11 -3.3(4) . . . . ?
B8 B9 B10 B12 35.1(3) . . . . ?
B8 B9 B12 B7 -39.3(3) . . . . ?
B8 B9 B12 B10 -141.0(3) . . . . ?
B8 B9 B12 B11 -102.7(3) . . . . ?
B9 B4 B5 C1 -137.8(3) . . . . ?
B9 B4 B5 B6 -101.0(3) . . . . ?
B9 B4 B5 B10 -37.4(2) . . . . ?
B9 B4 B8 Co3 150.5(2) . . . . ?
B9 B4 B8 B7 101.0(3) . . . . ?
B9 B4 B8 B12 39.3(2) . . . . ?
B9 B5 B6 C1 -99.5(3) . . . . ?
B9 B5 B6 C2 -62.9(3) . . . . ?
B9 B5 B6 B10 37.3(3) . . . . ?
B9 B5 B6 B11 -1.3(3) . . . . ?
B9 B5 B10 B6 -138.6(3) . . . . ?
B9 B5 B10 B11 -101.2(3) . . . . ?
B9 B5 B10 B12 -38.0(2) . . . . ?
B9 B8 B12 B7 136.4(3) . . . . ?
B9 B8 B12 B10 35.0(3) . . . . ?
B9 B8 B12 B11 99.0(3) . . . . ?
B9 B10 B11 C2 -59.8(3) . . . . ?
B9 B10 B11 B6 -100.8(3) . . . . ?
B9 B10 B11 B7 2.0(3) . . . . ?
B9 B10 B11 B12 38.7(2) . . . . ?
B9 B10 B12 B7 -99.9(3) . . . . ?
B9 B10 B12 B8 -34.9(3) . . . . ?
B9 B10 B12 B11 -136.9(3) . . . . ?
B10 B5 B6 C1 -136.8(3) . . . . ?
B10 B5 B6 C2 -100.2(3) . . . . ?
B10 B5 B6 B11 -38.6(2) . . . . ?
B10 B5 B9 B4 138.5(3) . . . . ?
B10 B5 B9 B8 100.7(3) . . . . ?
B10 B5 B9 B12 37.2(2) . . . . ?
B10 B6 B11 C2 -133.1(3) . . . . ?
B10 B6 B11 B7 -99.9(3) . . . . ?
B10 B6 B11 B12 -36.4(2) . . . . ?
B10 B9 B12 B7 101.7(3) . . . . ?
B10 B9 B12 B8 141.0(3) . . . . ?
B10 B9 B12 B11 38.3(2) . . . . ?
B10 B11 B12 B7 -138.9(3) . . . . ?
B10 B11 B12 B8 -101.0(3) . . . . ?
B10 B11 B12 B9 -38.2(2) . . . . ?
B11 C2 B6 C1 141.6(3) . . . . ?
B11 C2 B6 B5 104.1(3) . . . . ?
B11 C2 B6 B10 41.5(2) . . . . ?
B11 C2 B7 Co3 -154.8(2) . . . . ?
B11 C2 B7 B8 -102.3(3) . . . . ?
B11 C2 B7 B12 -40.3(2) . . . . ?
B11 B6 B10 B5 137.5(3) . . . . ?
B11 B6 B10 B9 100.4(3) . . . . ?
B11 B6 B10 B12 36.3(3) . . . . ?
B11 B7 B8 Co3 -113.8(2) . . . . ?
B11 B7 B8 B4 -64.2(3) . . . . ?
B11 B7 B8 B9 -1.9(4) . . . . ?
B11 B7 B8 B12 37.0(3) . . . . ?
B11 B7 B12 B8 -138.7(3) . . . . ?
B11 B7 B12 B9 -100.2(3) . . . . ?
B11 B7 B12 B10 -37.0(2) . . . . ?
B11 B10 B12 B7 37.0(2) . . . . ?
B11 B10 B12 B8 102.0(3) . . . . ?
B11 B10 B12 B9 136.9(3) . . . . ?
B12 B7 B8 Co3 -150.9(2) . . . . ?
B12 B7 B8 B4 -101.2(3) . . . . ?
B12 B7 B8 B9 -39.0(3) . . . . ?
B12 B7 B11 C2 133.8(3) . . . . ?
B12 B7 B11 B6 100.2(3) . . . . ?
B12 B7 B11 B10 36.8(3) . . . . ?
B12 B8 B9 B4 -136.0(3) . . . . ?
B12 B8 B9 B5 -98.6(3) . . . . ?
B12 B8 B9 B10 -35.0(3) . . . . ?
B12 B9 B10 B5 -137.9(3) . . . . ?
B12 B9 B10 B6 -101.1(3) . . . . ?
B12 B9 B10 B11 -38.4(2) . . . . ?
B12 B10 B11 C2 -98.5(3) . . . . ?
B12 B10 B11 B6 -139.5(3) . . . . ?
B12 B10 B11 B7 -36.7(3) . . . . ?
C31 C32 C33 Co3 62.6(2) . . . . ?
C31 C32 C33 C34 0.0(4) . . . . ?
C32 C31 C35 Co3 -58.7(2) . . . . ?
C32 C31 C35 C34 -1.4(4) . . . . ?
C32 C33 C34 Co3 60.8(2) . . . . ?
C32 C33 C34 C35 -0.9(4) . . . . ?
C33 C34 C35 Co3 58.9(2) . . . . ?
C33 C34 C35 C31 1.4(4) . . . . ?
C35 C31 C32 Co3 61.6(2) . . . . ?
C35 C31 C32 C33 0.8(4) . . . . ?
C1' C1 C2 Co3 105.8(3) . . . . ?
C1' C1 C2 B6 -100.6(3) . . . . ?
C1' C1 C2 B7 155.3(3) . . . . ?
C1' C1 C2 B11 -136.5(3) . . . . ?
C1' C1 B4 Co3 -103.8(3) . . . . ?
C1' C1 B4 B5 106.3(3) . . . . ?
C1' C1 B4 B8 -154.8(3) . . . . ?
C1' C1 B4 B9 143.3(3) . . . . ?
C1' C1 B5 B4 -119.2(3) . . . . ?
C1' C1 B5 B6 101.2(3) . . . . ?
C1' C1 B5 B9 -156.6(3) . . . . ?
C1' C1 B5 B10 139.7(3) . . . . ?
C1' C1 B6 C2 113.1(3) . . . . ?
C1' C1 B6 B5 -110.7(3) . . . . ?
C1' C1 B6 B10 -149.1(3) . . . . ?
C1' C1 B6 B11 146.9(3) . . . . ?
C1' C2' B6' B5' -37.2(2) . . . . ?
C1' C2' B6' B10' -99.8(3) . . . . ?
C1' C2' B6' B11' -141.3(3) . . . . ?
C1' C2' B7' Co3' -51.4(2) . . . . ?
C1' C2' B7' B8' 0.9(4) . . . . ?
C1' C2' B7' B11' 103.7(3) . . . . ?
C1' C2' B7' B12' 63.4(3) . . . . ?
C1' C2' B11' B6' 37.0(3) . . . . ?
C1' C2' B11' B7' -106.2(3) . . . . ?
C1' C2' B11' B10' -3.8(4) . . . . ?
C1' C2' B11' B12' -65.7(3) . . . . ?
C1' B4' B5' B6' 36.7(3) . . . . ?
C1' B4' B5' B9' 137.5(3) . . . . ?
C1' B4' B5' B10' 100.4(3) . . . . ?
C1' B4' B8' Co3' 52.7(2) . . . . ?
C1' B4' B8' B7' 3.3(4) . . . . ?
C1' B4' B8' B9' -97.2(3) . . . . ?
C1' B4' B8' B12' -59.0(3) . . . . ?
C1' B4' B9' B5' -36.5(2) . . . . ?
C1' B4' B9' B8' 102.3(3) . . . . ?
C1' B4' B9' B10' 0.7(3) . . . . ?
C1' B4' B9' B12' 63.8(3) . . . . ?
C1' B5' B6' C2' 36.3(2) . . . . ?
C1' B5' B6' B10' 136.5(3) . . . . ?
C1' B5' B6' B11' 98.1(3) . . . . ?
C1' B5' B9' B4' 37.0(2) . . . . ?
C1' B5' B9' B8' -0.7(4) . . . . ?
C1' B5' B9' B10' -101.6(3) . . . . ?
C1' B5' B9' B12' -64.8(3) . . . . ?
C1' B5' B10' B6' -39.4(2) . . . . ?
C1' B5' B10' B9' 99.2(3) . . . . ?
C1' B5' B10' B11' -2.2(4) . . . . ?
C1' B5' B10' B12' 61.4(3) . . . . ?
C1' B6' B10' B5' 37.8(2) . . . . ?
C1' B6' B10' B9' 0.7(3) . . . . ?
C1' B6' B10' B11' -99.9(3) . . . . ?
C1' B6' B10' B12' -63.8(3) . . . . ?
C1' B6' B11' C2' -33.1(2) . . . . ?
C1' B6' B11' B7' 0.1(3) . . . . ?
C1' B6' B11' B10' 100.0(3) . . . . ?
C1' B6' B11' B12' 64.2(3) . . . . ?
C2' C1' B4' Co3' 48.1(2) . . . . ?
C2' C1' B4' B5' -101.5(3) . . . . ?
C2' C1' B4' B8' -2.8(3) . . . . ?
C2' C1' B4' B9' -64.6(3) . . . . ?
C2' C1' B5' B4' 100.8(3) . . . . ?
C2' C1' B5' B6' -39.0(2) . . . . ?
C2' C1' B5' B9' 63.1(3) . . . . ?
C2' C1' B5' B10' -0.1(3) . . . . ?
C2' C1' B6' B5' 136.5(3) . . . . ?
C2' C1' B6' B10' 97.9(3) . . . . ?
C2' C1' B6' B11' 34.1(2) . . . . ?
C2' B6' B10' B5' 97.0(3) . . . . ?
C2' B6' B10' B9' 60.0(3) . . . . ?
C2' B6' B10' B11' -40.6(3) . . . . ?
C2' B6' B10' B12' -4.5(4) . . . . ?
C2' B6' B11' B7' 33.2(2) . . . . ?
C2' B6' B11' B10' 133.1(3) . . . . ?
C2' B6' B11' B12' 97.3(3) . . . . ?
C2' B7' B8' Co3' -52.2(2) . . . . ?
C2' B7' B8' B4' -2.5(3) . . . . ?
C2' B7' B8' B9' 60.2(3) . . . . ?
C2' B7' B8' B12' 98.9(3) . . . . ?
C2' B7' B11' B6' -33.4(2) . . . . ?
C2' B7' B11' B10' -96.9(3) . . . . ?
C2' B7' B11' B12' -133.8(3) . . . . ?
C2' B7' B12' B8' -98.6(3) . . . . ?
C2' B7' B12' B9' -60.3(3) . . . . ?
C2' B7' B12' B10' 2.5(4) . . . . ?
C2' B7' B12' B11' 39.7(3) . . . . ?
C2' B11' B12' B7' -40.0(3) . . . . ?
C2' B11' B12' B8' -2.5(3) . . . . ?
C2' B11' B12' B9' 60.1(3) . . . . ?
C2' B11' B12' B10' 98.6(3) . . . . ?
Co3' C1' C2' B6' 153.9(2) . . . . ?
Co3' C1' C2' B7' 49.5(2) . . . . ?
Co3' C1' C2' B11' 117.6(3) . . . . ?
Co3' C1' B4' B5' -149.6(2) . . . . ?
Co3' C1' B4' B8' -50.9(2) . . . . ?
Co3' C1' B4' B9' -112.8(2) . . . . ?
Co3' C1' B5' B4' 31.6(2) . . . . ?
Co3' C1' B5' B6' -108.2(3) . . . . ?
Co3' C1' B5' B9' -6.1(3) . . . . ?
Co3' C1' B5' B10' -69.3(3) . . . . ?
Co3' C1' B6' C2' -26.8(2) . . . . ?
Co3' C1' B6' B5' 109.7(2) . . . . ?
Co3' C1' B6' B10' 71.1(3) . . . . ?
Co3' C1' B6' B11' 7.3(3) . . . . ?
Co3' C2' B6' C1' 30.6(2) . . . . ?
Co3' C2' B6' B5' -6.6(4) . . . . ?
Co3' C2' B6' B10' -69.2(3) . . . . ?
Co3' C2' B6' B11' -110.7(3) . . . . ?
Co3' C2' B7' B8' 52.4(2) . . . . ?
Co3' C2' B7' B11' 155.1(2) . . . . ?
Co3' C2' B7' B12' 114.9(3) . . . . ?
Co3' C2' B11' B6' 116.2(3) . . . . ?
Co3' C2' B11' B7' -27.0(2) . . . . ?
Co3' C2' B11' B10' 75.4(3) . . . . ?
Co3' C2' B11' B12' 13.5(4) . . . . ?
Co3' B4' B5' C1' -32.0(2) . . . . ?
Co3' B4' B5' B6' 4.7(4) . . . . ?
Co3' B4' B5' B9' 105.5(3) . . . . ?
Co3' B4' B5' B10' 68.4(3) . . . . ?
Co3' B4' B8' B7' -49.4(2) . . . . ?
Co3' B4' B8' B9' -149.9(3) . . . . ?
Co3' B4' B8' B12' -111.7(3) . . . . ?
Co3' B4' B9' B5' -108.5(3) . . . . ?
Co3' B4' B9' B8' 30.3(3) . . . . ?
Co3' B4' B9' B10' -71.4(3) . . . . ?
Co3' B4' B9' B12' -8.3(4) . . . . ?
Co3' B7' B8' B4' 49.6(2) . . . . ?
Co3' B7' B8' B9' 112.4(3) . . . . ?
Co3' B7' B8' B12' 151.0(2) . . . . ?
Co3' B7' B11' C2' 25.6(2) . . . . ?
Co3' B7' B11' B6' -7.8(4) . . . . ?
Co3' B7' B11' B10' -71.3(3) . . . . ?
Co3' B7' B11' B12' -108.2(3) . . . . ?
Co3' B7' B12' B8' -30.0(3) . . . . ?
Co3' B7' B12' B9' 8.4(4) . . . . ?
Co3' B7' B12' B10' 71.2(3) . . . . ?
Co3' B7' B12' B11' 108.4(3) . . . . ?
Co3' B8' B9' B4' -30.4(3) . . . . ?
Co3' B8' B9' B5' 7.4(4) . . . . ?
Co3' B8' B9' B10' 71.2(4) . . . . ?
Co3' B8' B9' B12' 106.8(3) . . . . ?
Co3' B8' B12' B7' 29.1(2) . . . . ?
Co3' B8' B12' B9' -107.4(3) . . . . ?
Co3' B8' B12' B10' -71.9(3) . . . . ?
Co3' B8' B12' B11' -8.1(4) . . . . ?
Co3' C31' C32' C33' -57.3(2) . . . . ?
Co3' C31' C35' C34' 60.7(2) . . . . ?
Co3' C32' C33' C34' -59.2(2) . . . . ?
Co3' C33' C34' C35' -60.6(2) . . . . ?
Co3' C34' C35' C31' -61.7(2) . . . . ?
B4' C1' C2' Co3' -48.4(2) . . . . ?
B4' C1' C2' B6' 105.5(3) . . . . ?
B4' C1' C2' B7' 1.2(3) . . . . ?
B4' C1' C2' B11' 69.2(3) . . . . ?
B4' C1' B5' B6' -139.8(3) . . . . ?
B4' C1' B5' B9' -37.7(3) . . . . ?
B4' C1' B5' B10' -100.9(3) . . . . ?
B4' C1' B6' C2' -98.2(3) . . . . ?
B4' C1' B6' B5' 38.3(3) . . . . ?
B4' C1' B6' B10' -0.3(3) . . . . ?
B4' C1' B6' B11' -64.1(3) . . . . ?
B4' B5' B6' C1' -35.6(2) . . . . ?
B4' B5' B6' C2' 0.7(3) . . . . ?
B4' B5' B6' B10' 100.9(3) . . . . ?
B4' B5' B6' B11' 62.5(3) . . . . ?
B4' B5' B9' B8' -37.7(3) . . . . ?
B4' B5' B9' B10' -138.6(3) . . . . ?
B4' B5' B9' B12' -101.8(3) . . . . ?
B4' B5' B10' B6' -101.4(3) . . . . ?
B4' B5' B10' B9' 37.2(2) . . . . ?
B4' B5' B10' B11' -64.2(3) . . . . ?
B4' B5' B10' B12' -0.7(3) . . . . ?
B4' B8' B9' B5' 37.7(3) . . . . ?
B4' B8' B9' B10' 101.6(3) . . . . ?
B4' B8' B9' B12' 137.2(3) . . . . ?
B4' B8' B12' B7' 98.3(3) . . . . ?
B4' B8' B12' B9' -38.1(2) . . . . ?
B4' B8' B12' B10' -2.6(4) . . . . ?
B4' B8' B12' B11' 61.1(3) . . . . ?
B4' B9' B10' B5' -37.6(3) . . . . ?
B4' B9' B10' B6' -0.9(4) . . . . ?
B4' B9' B10' B11' 61.8(3) . . . . ?
B4' B9' B10' B12' 100.8(3) . . . . ?
B4' B9' B12' B7' 0.1(4) . . . . ?
B4' B9' B12' B8' 38.8(3) . . . . ?
B4' B9' B12' B10' -101.5(3) . . . . ?
B4' B9' B12' B11' -62.7(3) . . . . ?
B5' C1' C2' Co3' -115.1(2) . . . . ?
B5' C1' C2' B6' 38.8(2) . . . . ?
B5' C1' C2' B7' -65.5(3) . . . . ?
B5' C1' C2' B11' 2.5(3) . . . . ?
B5' C1' B4' Co3' 149.6(2) . . . . ?
B5' C1' B4' B8' 98.7(3) . . . . ?
B5' C1' B4' B9' 36.8(3) . . . . ?
B5' C1' B6' C2' -136.5(3) . . . . ?
B5' C1' B6' B10' -38.7(2) . . . . ?
B5' C1' B6' B11' -102.4(3) . . . . ?
B5' B4' B8' Co3' 113.9(2) . . . . ?
B5' B4' B8' B7' 64.5(3) . . . . ?
B5' B4' B8' B9' -36.0(3) . . . . ?
B5' B4' B8' B12' 2.2(3) . . . . ?
B5' B4' B9' B8' 138.8(3) . . . . ?
B5' B4' B9' B10' 37.2(3) . . . . ?
B5' B4' B9' B12' 100.3(3) . . . . ?
B5' B6' B10' B9' -37.0(2) . . . . ?
B5' B6' B10' B11' -137.7(3) . . . . ?
B5' B6' B10' B12' -101.6(3) . . . . ?
B5' B6' B11' C2' -94.8(3) . . . . ?
B5' B6' B11' B7' -61.6(3) . . . . ?
B5' B6' B11' B10' 38.3(3) . . . . ?
B5' B6' B11' B12' 2.5(4) . . . . ?
B5' B9' B10' B6' 36.8(2) . . . . ?
B5' B9' B10' B11' 99.4(3) . . . . ?
B5' B9' B10' B12' 138.5(3) . . . . ?
B5' B9' B12' B7' 64.6(3) . . . . ?
B5' B9' B12' B8' 103.3(3) . . . . ?
B5' B9' B12' B10' -37.0(2) . . . . ?
B5' B9' B12' B11' 1.8(3) . . . . ?
B5' B10' B11' C2' 3.5(3) . . . . ?
B5' B10' B11' B6' -37.3(3) . . . . ?
B5' B10' B11' B7' 65.5(3) . . . . ?
B5' B10' B11' B12' 102.7(3) . . . . ?
B5' B10' B12' B7' -61.9(3) . . . . ?
B5' B10' B12' B8' 2.1(4) . . . . ?
B5' B10' B12' B9' 37.5(2) . . . . ?
B5' B10' B12' B11' -98.9(3) . . . . ?
B6' C1' C2' Co3' -153.9(2) . . . . ?
B6' C1' C2' B7' -104.3(3) . . . . ?
B6' C1' C2' B11' -36.3(3) . . . . ?
B6' C1' B4' Co3' 112.6(2) . . . . ?
B6' C1' B4' B5' -37.0(2) . . . . ?
B6' C1' B4' B8' 61.7(3) . . . . ?
B6' C1' B4' B9' -0.2(3) . . . . ?
B6' C1' B5' B4' 139.8(3) . . . . ?
B6' C1' B5' B9' 102.1(3) . . . . ?
B6' C1' B5' B10' 38.9(3) . . . . ?
B6' C2' B7' Co3' -120.5(3) . . . . ?
B6' C2' B7' B8' -68.1(3) . . . . ?
B6' C2' B7' B11' 34.6(3) . . . . ?
B6' C2' B7' B12' -5.6(4) . . . . ?
B6' C2' B11' B7' -143.2(3) . . . . ?
B6' C2' B11' B10' -40.8(3) . . . . ?
B6' C2' B11' B12' -102.7(3) . . . . ?
B6' B5' B9' B4' 101.5(3) . . . . ?
B6' B5' B9' B8' 63.8(4) . . . . ?
B6' B5' B9' B10' -37.1(2) . . . . ?
B6' B5' B9' B12' -0.3(3) . . . . ?
B6' B5' B10' B9' 138.6(3) . . . . ?
B6' B5' B10' B11' 37.2(3) . . . . ?
B6' B5' B10' B12' 100.8(3) . . . . ?
B6' B10' B11' C2' 40.8(2) . . . . ?
B6' B10' B11' B7' 102.8(3) . . . . ?
B6' B10' B11' B12' 139.9(3) . . . . ?
B6' B10' B12' B7' 1.3(4) . . . . ?
B6' B10' B12' B8' 65.2(3) . . . . ?
B6' B10' B12' B9' 100.6(3) . . . . ?
B6' B10' B12' B11' -35.7(3) . . . . ?
B6' B11' B12' B7' -102.7(3) . . . . ?
B6' B11' B12' B8' -65.2(3) . . . . ?
B6' B11' B12' B9' -2.6(3) . . . . ?
B6' B11' B12' B10' 35.9(3) . . . . ?
B7' C2' B6' C1' 106.3(3) . . . . ?
B7' C2' B6' B5' 69.1(3) . . . . ?
B7' C2' B6' B10' 6.4(4) . . . . ?
B7' C2' B6' B11' -35.0(3) . . . . ?
B7' C2' B11' B6' 143.2(3) . . . . ?
B7' C2' B11' B10' 102.4(3) . . . . ?
B7' C2' B11' B12' 40.5(3) . . . . ?
B7' B8' B9' B4' -98.9(3) . . . . ?
B7' B8' B9' B5' -61.2(4) . . . . ?
B7' B8' B9' B10' 2.7(4) . . . . ?
B7' B8' B9' B12' 38.3(3) . . . . ?
B7' B8' B12' B9' -136.5(3) . . . . ?
B7' B8' B12' B10' -101.0(3) . . . . ?
B7' B8' B12' B11' -37.2(3) . . . . ?
B7' B11' B12' B8' 37.5(3) . . . . ?
B7' B11' B12' B9' 100.1(3) . . . . ?
B7' B11' B12' B10' 138.6(3) . . . . ?
B8' B4' B5' C1' -101.4(3) . . . . ?
B8' B4' B5' B6' -64.7(3) . . . . ?
B8' B4' B5' B9' 36.1(3) . . . . ?
B8' B4' B5' B10' -1.0(3) . . . . ?
B8' B4' B9' B5' -138.8(3) . . . . ?
B8' B4' B9' B10' -101.7(3) . . . . ?
B8' B4' B9' B12' -38.6(3) . . . . ?
B8' B7' B11' C2' 96.4(3) . . . . ?
B8' B7' B11' B6' 63.0(3) . . . . ?
B8' B7' B11' B10' -0.5(4) . . . . ?
B8' B7' B11' B12' -37.4(3) . . . . ?
B8' B7' B12' B9' 38.3(3) . . . . ?
B8' B7' B12' B10' 101.1(3) . . . . ?
B8' B7' B12' B11' 138.3(3) . . . . ?
B8' B9' B10' B5' -102.5(3) . . . . ?
B8' B9' B10' B6' -65.7(3) . . . . ?
B8' B9' B10' B11' -3.1(4) . . . . ?
B8' B9' B10' B12' 36.0(3) . . . . ?
B8' B9' B12' B7' -38.7(3) . . . . ?
B8' B9' B12' B10' -140.3(3) . . . . ?
B8' B9' B12' B11' -101.5(3) . . . . ?
B9' B4' B5' C1' -137.5(3) . . . . ?
B9' B4' B5' B6' -100.8(3) . . . . ?
B9' B4' B5' B10' -37.1(3) . . . . ?
B9' B4' B8' Co3' 149.9(3) . . . . ?
B9' B4' B8' B7' 100.5(3) . . . . ?
B9' B4' B8' B12' 38.2(3) . . . . ?
B9' B5' B6' C1' -99.4(3) . . . . ?
B9' B5' B6' C2' -63.1(3) . . . . ?
B9' B5' B6' B10' 37.1(3) . . . . ?
B9' B5' B6' B11' -1.3(3) . . . . ?
B9' B5' B10' B6' -138.6(3) . . . . ?
B9' B5' B10' B11' -101.4(3) . . . . ?
B9' B5' B10' B12' -37.8(3) . . . . ?
B9' B8' B12' B7' 136.5(3) . . . . ?
B9' B8' B12' B10' 35.5(3) . . . . ?
B9' B8' B12' B11' 99.2(3) . . . . ?
B9' B10' B11' C2' -59.8(3) . . . . ?
B9' B10' B11' B6' -100.6(3) . . . . ?
B9' B10' B11' B7' 2.2(4) . . . . ?
B9' B10' B11' B12' 39.4(3) . . . . ?
B9' B10' B12' B7' -99.3(3) . . . . ?
B9' B10' B12' B8' -35.4(3) . . . . ?
B9' B10' B12' B11' -136.3(3) . . . . ?
B10' B5' B6' C1' -136.5(3) . . . . ?
B10' B5' B6' C2' -100.2(3) . . . . ?
B10' B5' B6' B11' -38.4(3) . . . . ?
B10' B5' B9' B4' 138.6(3) . . . . ?
B10' B5' B9' B8' 100.9(3) . . . . ?
B10' B5' B9' B12' 36.8(2) . . . . ?
B10' B6' B11' C2' -133.1(3) . . . . ?
B10' B6' B11' B7' -99.9(3) . . . . ?
B10' B6' B11' B12' -35.8(3) . . . . ?
B10' B9' B12' B7' 101.6(3) . . . . ?
B10' B9' B12' B8' 140.3(3) . . . . ?
B10' B9' B12' B11' 38.8(3) . . . . ?
B10' B11' B12' B7' -138.6(3) . . . . ?
B10' B11' B12' B8' -101.1(3) . . . . ?
B10' B11' B12' B9' -38.5(3) . . . . ?
B11' C2' B6' C1' 141.3(3) . . . . ?
B11' C2' B6' B5' 104.1(3) . . . . ?
B11' C2' B6' B10' 41.4(3) . . . . ?
B11' C2' B7' Co3' -155.1(2) . . . . ?
B11' C2' B7' B8' -102.7(3) . . . . ?
B11' C2' B7' B12' -40.2(3) . . . . ?
B11' B6' B10' B5' 137.7(3) . . . . ?
B11' B6' B10' B9' 100.6(3) . . . . ?
B11' B6' B10' B12' 36.1(3) . . . . ?
B11' B7' B8' Co3' -113.7(3) . . . . ?
B11' B7' B8' B4' -64.0(3) . . . . ?
B11' B7' B8' B9' -1.3(4) . . . . ?
B11' B7' B8' B12' 37.3(3) . . . . ?
B11' B7' B12' B8' -138.3(3) . . . . ?
B11' B7' B12' B9' -100.0(3) . . . . ?
B11' B7' B12' B10' -37.2(3) . . . . ?
B11' B10' B12' B7' 37.0(3) . . . . ?
B11' B10' B12' B8' 100.9(3) . . . . ?
B11' B10' B12' B9' 136.3(3) . . . . ?
B12' B7' B8' Co3' -151.0(2) . . . . ?
B12' B7' B8' B4' -101.4(3) . . . . ?
B12' B7' B8' B9' -38.6(3) . . . . ?
B12' B7' B11' C2' 133.8(3) . . . . ?
B12' B7' B11' B6' 100.4(3) . . . . ?
B12' B7' B11' B10' 36.9(3) . . . . ?
B12' B8' B9' B4' -137.2(3) . . . . ?
B12' B8' B9' B5' -99.4(3) . . . . ?
B12' B8' B9' B10' -35.6(3) . . . . ?
B12' B9' B10' B5' -138.5(3) . . . . ?
B12' B9' B10' B6' -101.7(3) . . . . ?
B12' B9' B10' B11' -39.0(3) . . . . ?
B12' B10' B11' C2' -99.2(3) . . . . ?
B12' B10' B11' B6' -139.9(3) . . . . ?
B12' B10' B11' B7' -37.2(3) . . . . ?
C31' C32' C33' Co3' 57.1(2) . . . . ?
C31' C32' C33' C34' -2.2(4) . . . . ?
C32' C31' C35' Co3' -62.2(2) . . . . ?
C32' C31' C35' C34' -1.5(4) . . . . ?
C32' C33' C34' Co3' 61.8(2) . . . . ?
C32' C33' C34' C35' 1.2(4) . . . . ?
C33' C34' C35' Co3' 61.9(2) . . . . ?
C33' C34' C35' C31' 0.2(4) . . . . ?
C35' C31' C32' Co3' 59.6(2) . . . . ?
C35' C31' C32' C33' 2.3(4) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_computing_structure_solution_long 'ShelXS (Sheldrick, 2008)'
_olex2_date_sample_submission    clear
_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_2016ncs0723
_database_code_depnum_ccdc_archive 'CCDC 1516777'
_audit_update_record             
;
2016-11-11 deposited with the CCDC.
2016-12-19 downloaded from the CCDC.
;
_audit_creation_date             2016-11-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H30 B18 Co2'
_chemical_formula_sum            'C14 H30 B18 Co2'
_chemical_formula_weight         510.82
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C14 H30 B18 Co2'
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           64
_space_group_name_H-M_alt        'C m c e'
_space_group_name_Hall           '-C 2bc 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z+1/2'
'x, -y, -z'
'-x, y+1/2, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'-x, y, z'
'x, -y-1/2, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y, -z-1/2'
'-x+1/2, y+1/2, z'
'x+1/2, -y, z-1/2'

_cell_length_a                   11.6943(5)
_cell_length_b                   13.8151(5)
_cell_length_c                   14.4745(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2338.47(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11042
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5380
_cell_measurement_theta_min      2.6430
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.423
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77901
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.015
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_av_unetI/netI     0.0103
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13750
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.471
_diffrn_reflns_theta_min         2.681
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -31.00  77.00   1.00    5.00    --  -13.00  72.00  90.00  108
  2  ω    -67.00  23.00   1.00    5.00    --  -13.00 -72.00 -30.00   90
  3  ω    -67.00  23.00   1.00    5.00    --  -13.00 -72.00 150.00   90
  4  ω    -78.00  -8.00   1.00    5.00    --  -13.00   0.00 150.00   70
  5  ω      3.00  23.00   1.00    5.00    --  -13.00 -72.00-180.00   20
  6  ω    -95.00  14.00   1.00    5.00    --  -13.00 -54.00 150.00  109
;
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  
;
Rigaku FRE+ equipped with VHF Varimax confocal mirrors and an AFC10 goniometer and HG Saturn 724+ detector
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0153349500
_diffrn_orient_matrix_UB_12      -0.0496703500
_diffrn_orient_matrix_UB_13      -0.0000166000
_diffrn_orient_matrix_UB_21      0.0069610000
_diffrn_orient_matrix_UB_22      -0.0015715000
_diffrn_orient_matrix_UB_23      0.0486206000
_diffrn_orient_matrix_UB_31      -0.0583090000
_diffrn_orient_matrix_UB_32      0.0129241000
_diffrn_orient_matrix_UB_33      0.0058092000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, VHF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1360
_reflns_number_total             1399
_reflns_odcompleteness_completeness 99.61
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 2013)
;
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_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         0.371
_refine_diff_density_min         -0.257
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     101
_refine_ls_number_reflns         1399
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0224
_refine_ls_R_factor_gt           0.0216
_refine_ls_restrained_S_all      1.087
_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)+(0.0316P)²+3.0113P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0585
_refine_ls_wR_factor_ref         0.0591
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
2. Shared sites
{C1, B1}
3. Uiso/Uaniso restraints and constraints
Uanis(C1) = Uanis(B1)
4. Others
 Fixed Sof: C1(0.5) B1(0.5)
5.a Ternary CH refined with riding coordinates:
 C23(H23), C24(H24), C25(H25)
;
_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 0.37993(12) 0.32343(10) 0.63171(9) 0.0144(3) Uani 0.5 1 d . . . A 1
B1 B 0.37993(12) 0.32343(10) 0.63171(9) 0.0144(3) Uani 0.5 1 d . . . A 2
H1 H 0.3036(15) 0.2929(12) 0.6441(11) 0.017 Uiso 1 1 d R . . . .
Co2 Co 0.5000 0.23560(2) 0.57278(2) 0.00922(10) Uani 1 2 d S T P A .
B4 B 0.37770(12) 0.44462(10) 0.60217(9) 0.0114(3) Uani 1 1 d . . . . .
H4 H 0.3042(15) 0.4851(12) 0.5877(10) 0.014 Uiso 1 1 d R . . . .
B5 B 0.42405(13) 0.40856(10) 0.71314(9) 0.0126(3) Uani 1 1 d . . . . .
H5 H 0.3739(14) 0.4239(11) 0.7725(10) 0.015 Uiso 1 1 d R . . . .
B6 B 0.5000 0.29739(14) 0.70110(13) 0.0124(4) Uani 1 2 d S T P A .
H6 H 0.5000 0.2504(16) 0.7609(18) 0.015 Uiso 1 2 d RS T P . .
B3 B 0.42249(12) 0.35536(9) 0.52046(9) 0.0108(3) Uani 1 1 d . . . . .
H3 H 0.3722(14) 0.3523(11) 0.4581(11) 0.013 Uiso 1 1 d R . . . .
C8 C 0.5000 0.46123(12) 0.53795(11) 0.0091(3) Uani 1 2 d S T P A .
C23 C 0.5000 0.14567(13) 0.46045(13) 0.0194(4) Uani 1 2 d S T P A .
H23 H 0.5000 0.1664 0.3942 0.023 Uiso 1 2 calc RS T P . .
C24 C 0.40243(12) 0.12864(9) 0.51539(10) 0.0207(3) Uani 1 1 d . . . . .
H24 H 0.3211 0.1350 0.4950 0.025 Uiso 1 1 calc R . . A .
C25 C 0.43994(14) 0.10009(9) 0.60425(10) 0.0229(3) Uani 1 1 d . . . . .
H25 H 0.3897 0.0831 0.6578 0.027 Uiso 1 1 calc R . . A .
B9 B 0.5000 0.49904(14) 0.65225(14) 0.0120(4) Uani 1 2 d S T P A .
H9 H 0.5000 0.5768(17) 0.6648(15) 0.014 Uiso 1 2 d RS T P . .


_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 H1 1.004(17) . ?
C1 Co2 2.0423(13) . ?
C1 B4 1.7282(19) . ?
C1 B5 1.7432(19) . ?
C1 B6 1.7634(18) . ?
C1 B3 1.7422(19) . ?
B1 H1 1.004(17) . ?
B1 Co2 2.0423(13) . ?
B1 B4 1.7282(19) . ?
B1 B5 1.7432(19) . ?
B1 B6 1.7634(18) . ?
B1 B3 1.7422(19) . ?
Co2 C1 2.0424(13) 11_655 ?
Co2 B1 2.0424(13) 11_655 ?
Co2 B6 2.0440(19) . ?
Co2 B3 2.0329(13) . ?
Co2 B3 2.0330(14) 11_655 ?
Co2 C23 2.0463(18) . ?
Co2 C24 2.0435(13) . ?
Co2 C24 2.0435(13) 11_655 ?
Co2 C25 2.0507(13) . ?
Co2 C25 2.0507(13) 11_655 ?
B4 H4 1.047(17) . ?
B4 B5 1.7669(19) . ?
B4 B3 1.7871(19) . ?
B4 C8 1.7211(16) . ?
B4 B9 1.7710(18) . ?
B5 B5 1.776(3) 11_655 ?
B5 H5 1.062(15) . ?
B5 B6 1.783(2) . ?
B5 B9 1.769(2) . ?
B6 C1 1.7634(18) 11_655 ?
B6 B1 1.7634(18) 11_655 ?
B6 B5 1.783(2) 11_655 ?
B6 H6 1.08(3) . ?
B3 B3 1.813(3) 11_655 ?
B3 H3 1.079(16) . ?
B3 C8 1.7392(19) . ?
C8 B4 1.7211(16) 11_655 ?
C8 B3 1.7392(19) 11_655 ?
C8 C8 1.534(3) 9_666 ?
C8 B9 1.735(3) . ?
C23 H23 1.0000 . ?
C23 C24 1.4105(18) . ?
C23 C24 1.4105(18) 11_655 ?
C24 H24 1.0000 . ?
C24 C25 1.415(2) . ?
C25 C25 1.405(3) 11_655 ?
C25 H25 1.0000 . ?
B9 B4 1.7709(18) 11_655 ?
B9 B5 1.769(2) 11_655 ?
B9 H9 1.09(2) . ?

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
Co2 C1 H1 115.9(10) . . ?
B4 C1 H1 116.0(10) . . ?
B4 C1 Co2 118.86(9) . . ?
B4 C1 B5 61.19(8) . . ?
B4 C1 B6 110.52(11) . . ?
B4 C1 B3 61.99(8) . . ?
B5 C1 H1 115.2(9) . . ?
B5 C1 Co2 118.67(9) . . ?
B5 C1 B6 61.11(9) . . ?
B6 C1 H1 121.3(9) . . ?
B6 C1 Co2 64.49(7) . . ?
B3 C1 H1 121.8(9) . . ?
B3 C1 Co2 64.41(6) . . ?
B3 C1 B5 111.69(10) . . ?
B3 C1 B6 110.53(10) . . ?
Co2 B1 H1 115.9(10) . . ?
B4 B1 H1 116.0(10) . . ?
B4 B1 Co2 118.86(9) . . ?
B4 B1 B5 61.19(8) . . ?
B4 B1 B6 110.52(11) . . ?
B4 B1 B3 61.99(8) . . ?
B5 B1 H1 115.2(9) . . ?
B5 B1 Co2 118.67(9) . . ?
B5 B1 B6 61.11(9) . . ?
B6 B1 H1 121.3(9) . . ?
B6 B1 Co2 64.49(7) . . ?
B3 B1 H1 121.8(9) . . ?
B3 B1 Co2 64.41(6) . . ?
B3 B1 B5 111.69(10) . . ?
B3 B1 B6 110.53(10) . . ?
C1 Co2 C1 86.86(8) . 11_655 ?
C1 Co2 B6 51.13(5) 11_655 . ?
C1 Co2 B6 51.13(5) . . ?
C1 Co2 C23 133.83(4) 11_655 . ?
C1 Co2 C23 133.83(4) . . ?
C1 Co2 C24 169.51(6) 11_655 . ?
C1 Co2 C24 169.51(6) . 11_655 ?
C1 Co2 C24 102.45(6) 11_655 11_655 ?
C1 Co2 C24 102.45(6) . . ?
C1 Co2 C25 102.36(6) . . ?
C1 Co2 C25 133.24(6) . 11_655 ?
C1 Co2 C25 102.37(6) 11_655 11_655 ?
C1 Co2 C25 133.24(6) 11_655 . ?
B1 Co2 B1 86.86(8) . 11_655 ?
B1 Co2 B6 51.13(5) . . ?
B1 Co2 B6 51.13(5) 11_655 . ?
B1 Co2 C23 133.83(4) 11_655 . ?
B1 Co2 C23 133.83(4) . . ?
B1 Co2 C24 102.45(6) 11_655 11_655 ?
B1 Co2 C24 102.45(6) . . ?
B1 Co2 C24 169.51(6) 11_655 . ?
B1 Co2 C24 169.51(6) . 11_655 ?
B1 Co2 C25 133.24(6) . 11_655 ?
B1 Co2 C25 102.36(6) . . ?
B1 Co2 C25 133.24(6) 11_655 . ?
B1 Co2 C25 102.37(6) 11_655 11_655 ?
B6 Co2 C23 167.30(8) . . ?
B6 Co2 C25 100.34(7) . 11_655 ?
B6 Co2 C25 100.34(7) . . ?
B3 Co2 C1 88.77(5) 11_655 . ?
B3 Co2 C1 50.62(5) . . ?
B3 Co2 C1 50.62(5) 11_655 11_655 ?
B3 Co2 C1 88.77(5) . 11_655 ?
B3 Co2 B1 88.77(5) 11_655 . ?
B3 Co2 B1 50.62(5) 11_655 11_655 ?
B3 Co2 B1 50.62(5) . . ?
B3 Co2 B1 88.77(5) . 11_655 ?
B3 Co2 B6 89.92(6) 11_655 . ?
B3 Co2 B6 89.92(6) . . ?
B3 Co2 B3 52.96(8) . 11_655 ?
B3 Co2 C23 101.43(6) 11_655 . ?
B3 Co2 C23 101.43(6) . . ?
B3 Co2 C24 133.32(6) 11_655 . ?
B3 Co2 C24 100.84(6) . . ?
B3 Co2 C24 133.32(6) . 11_655 ?
B3 Co2 C24 100.84(5) 11_655 11_655 ?
B3 Co2 C25 132.30(6) 11_655 11_655 ?
B3 Co2 C25 132.30(6) . . ?
B3 Co2 C25 168.08(6) 11_655 . ?
B3 Co2 C25 168.08(6) . 11_655 ?
C23 Co2 C25 67.80(6) . . ?
C23 Co2 C25 67.80(6) . 11_655 ?
C24 Co2 B6 132.18(6) . . ?
C24 Co2 B6 132.18(6) 11_655 . ?
C24 Co2 C23 40.35(5) 11_655 . ?
C24 Co2 C23 40.35(5) . . ?
C24 Co2 C24 67.89(8) . 11_655 ?
C24 Co2 C25 67.75(6) 11_655 . ?
C24 Co2 C25 40.44(6) 11_655 11_655 ?
C24 Co2 C25 40.44(6) . . ?
C24 Co2 C25 67.75(6) . 11_655 ?
C25 Co2 C25 40.06(9) 11_655 . ?
C1 B4 H4 125.4(9) . . ?
C1 B4 B5 59.82(8) . . ?
C1 B4 B3 59.39(7) . . ?
C1 B4 B9 107.32(11) . . ?
B1 B4 H4 125.4(9) . . ?
B1 B4 B5 59.82(8) . . ?
B1 B4 B3 59.39(7) . . ?
B1 B4 B9 107.32(11) . . ?
B5 B4 H4 125.7(8) . . ?
B5 B4 B3 108.49(9) . . ?
B5 B4 B9 59.99(9) . . ?
B3 B4 H4 118.5(8) . . ?
C8 B4 C1 104.49(10) . . ?
C8 B4 B1 104.49(10) . . ?
C8 B4 H4 120.2(8) . . ?
C8 B4 B5 105.88(10) . . ?
C8 B4 B3 59.40(8) . . ?
C8 B4 B9 59.56(9) . . ?
B9 B4 H4 121.2(9) . . ?
B9 B4 B3 109.10(10) . . ?
C1 B5 B4 58.99(8) . . ?
C1 B5 B5 107.22(7) . 11_655 ?
C1 B5 H5 121.2(9) . . ?
C1 B5 B6 60.01(8) . . ?
C1 B5 B9 106.77(10) . . ?
B1 B5 B4 58.99(8) . . ?
B1 B5 B5 107.22(7) . 11_655 ?
B1 B5 H5 121.2(9) . . ?
B1 B5 B6 60.01(8) . . ?
B1 B5 B9 106.77(10) . . ?
B4 B5 B5 107.87(7) . 11_655 ?
B4 B5 H5 120.7(8) . . ?
B4 B5 B6 107.87(10) . . ?
B4 B5 B9 60.12(8) . . ?
B5 B5 H5 123.5(9) 11_655 . ?
B5 B5 B6 60.12(6) 11_655 . ?
B6 B5 H5 121.7(8) . . ?
B9 B5 B5 59.86(6) . 11_655 ?
B9 B5 H5 122.7(9) . . ?
B9 B5 B6 108.06(10) . . ?
C1 B6 C1 105.54(13) 11_655 . ?
C1 B6 Co2 64.38(7) . . ?
C1 B6 Co2 64.39(7) 11_655 . ?
C1 B6 B5 106.06(12) 11_655 . ?
C1 B6 B5 106.06(12) . 11_655 ?
C1 B6 B5 58.88(8) 11_655 11_655 ?
C1 B6 B5 58.89(8) . . ?
C1 B6 H6 125.3(3) . . ?
C1 B6 H6 125.3(3) 11_655 . ?
B1 B6 B1 105.54(13) 11_655 . ?
B1 B6 Co2 64.39(7) 11_655 . ?
B1 B6 Co2 64.38(7) . . ?
B1 B6 B5 106.06(12) 11_655 . ?
B1 B6 B5 58.88(8) 11_655 11_655 ?
B1 B6 B5 58.89(8) . . ?
B1 B6 B5 106.06(12) . 11_655 ?
B1 B6 H6 125.3(3) 11_655 . ?
B1 B6 H6 125.3(3) . . ?
Co2 B6 H6 118.4(13) . . ?
B5 B6 Co2 116.66(10) 11_655 . ?
B5 B6 Co2 116.66(10) . . ?
B5 B6 B5 59.77(11) 11_655 . ?
B5 B6 H6 116.0(11) 11_655 . ?
B5 B6 H6 116.0(11) . . ?
C1 B3 Co2 64.97(6) . . ?
C1 B3 B4 58.62(7) . . ?
C1 B3 B3 106.60(7) . 11_655 ?
C1 B3 H3 127.4(8) . . ?
B1 B3 Co2 64.97(6) . . ?
B1 B3 B4 58.62(7) . . ?
B1 B3 B3 106.60(7) . 11_655 ?
B1 B3 H3 127.4(8) . . ?
Co2 B3 H3 121.5(8) . . ?
B4 B3 Co2 116.47(8) . . ?
B4 B3 B3 107.04(6) . 11_655 ?
B4 B3 H3 114.9(8) . . ?
B3 B3 Co2 63.52(4) 11_655 . ?
B3 B3 H3 123.1(8) 11_655 . ?
C8 B3 C1 103.14(10) . . ?
C8 B3 B1 103.14(10) . . ?
C8 B3 Co2 113.44(8) . . ?
C8 B3 B4 58.41(7) . . ?
C8 B3 B3 58.59(5) . 11_655 ?
C8 B3 H3 116.1(8) . . ?
B4 C8 B4 112.40(13) . 11_655 ?
B4 C8 B3 113.55(11) 11_655 . ?
B4 C8 B3 113.56(11) . 11_655 ?
B4 C8 B3 62.18(7) 11_655 11_655 ?
B4 C8 B3 62.19(7) . . ?
B4 C8 B9 61.65(7) . . ?
B4 C8 B9 61.65(7) 11_655 . ?
B3 C8 B3 62.83(11) 11_655 . ?
C8 C8 B4 118.67(8) 9_666 . ?
C8 C8 B4 118.67(8) 9_666 11_655 ?
C8 C8 B3 118.87(14) 9_666 . ?
C8 C8 B3 118.87(14) 9_666 11_655 ?
C8 C8 B9 118.20(17) 9_666 . ?
B9 C8 B3 113.08(10) . . ?
B9 C8 B3 113.08(10) . 11_655 ?
Co2 C23 H23 126.0 . . ?
C24 C23 Co2 69.72(9) . . ?
C24 C23 Co2 69.72(9) 11_655 . ?
C24 C23 H23 126.0 . . ?
C24 C23 H23 126.0 11_655 . ?
C24 C23 C24 107.99(17) . 11_655 ?
Co2 C24 H24 126.0 . . ?
C23 C24 Co2 69.93(9) . . ?
C23 C24 H24 126.0 . . ?
C23 C24 C25 107.95(13) . . ?
C25 C24 Co2 70.06(8) . . ?
C25 C24 H24 126.0 . . ?
Co2 C25 H25 126.0 . . ?
C24 C25 Co2 69.50(7) . . ?
C24 C25 H25 126.0 . . ?
C25 C25 Co2 69.97(5) 11_655 . ?
C25 C25 C24 108.06(9) 11_655 . ?
C25 C25 H25 126.0 11_655 . ?
B4 B9 B4 107.72(14) 11_655 . ?
B4 B9 H9 119.1(5) 11_655 . ?
B4 B9 H9 119.1(5) . . ?
B5 B9 B4 108.03(12) . 11_655 ?
B5 B9 B4 59.89(8) 11_655 11_655 ?
B5 B9 B4 108.03(12) 11_655 . ?
B5 B9 B4 59.89(8) . . ?
B5 B9 B5 60.29(11) . 11_655 ?
B5 B9 H9 127.8(9) . . ?
B5 B9 H9 127.8(9) 11_655 . ?
C8 B9 B4 58.79(7) . 11_655 ?
C8 B9 B4 58.79(7) . . ?
C8 B9 B5 105.21(11) . 11_655 ?
C8 B9 B5 105.21(11) . . ?
C8 B9 H9 117.1(12) . . ?

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 B4 B5 B5 99.73(7) . . . 11_655 ?
C1 B4 B5 B6 36.23(9) . . . . ?
C1 B4 B5 B9 137.20(11) . . . . ?
C1 B4 B3 Co2 -30.99(9) . . . . ?
C1 B4 B3 B3 -99.38(7) . . . 11_655 ?
C1 B4 B3 C8 -133.44(10) . . . . ?
C1 B4 C8 B4 -65.54(15) . . . 11_655 ?
C1 B4 C8 B3 2.69(13) . . . 11_655 ?
C1 B4 C8 B3 40.20(9) . . . . ?
C1 B4 C8 C8 149.70(16) . . . 9_666 ?
C1 B4 C8 B9 -101.82(11) . . . . ?
C1 B4 B9 B4 63.00(15) . . . 11_655 ?
C1 B4 B9 B5 -0.27(13) . . . 11_655 ?
C1 B4 B9 B5 -37.97(9) . . . . ?
C1 B4 B9 C8 96.93(11) . . . . ?
C1 B5 B6 C1 98.74(13) . . . 11_655 ?
C1 B5 B6 Co2 29.77(8) . . . . ?
C1 B5 B6 B5 136.54(8) . . . 11_655 ?
C1 B5 B9 B4 -62.99(12) . . . 11_655 ?
C1 B5 B9 B4 37.46(9) . . . . ?
C1 B5 B9 B5 -100.51(9) . . . 11_655 ?
C1 B5 B9 C8 -1.43(11) . . . . ?
C1 B3 C8 B4 64.35(12) . . . 11_655 ?
C1 B3 C8 B4 -39.54(9) . . . . ?
C1 B3 C8 B3 101.60(8) . . . 11_655 ?
C1 B3 C8 C8 -148.72(11) . . . 9_666 ?
C1 B3 C8 B9 -3.48(11) . . . . ?
B1 B4 B5 B5 99.73(7) . . . 11_655 ?
B1 B4 B5 B6 36.23(9) . . . . ?
B1 B4 B5 B9 137.20(11) . . . . ?
B1 B4 B3 Co2 -30.99(9) . . . . ?
B1 B4 B3 B3 -99.38(7) . . . 11_655 ?
B1 B4 B3 C8 -133.44(10) . . . . ?
B1 B4 C8 B4 -65.54(15) . . . 11_655 ?
B1 B4 C8 B3 40.20(9) . . . . ?
B1 B4 C8 B3 2.69(13) . . . 11_655 ?
B1 B4 C8 C8 149.70(16) . . . 9_666 ?
B1 B4 C8 B9 -101.82(11) . . . . ?
B1 B4 B9 B4 63.00(15) . . . 11_655 ?
B1 B4 B9 B5 -37.97(9) . . . . ?
B1 B4 B9 B5 -0.27(13) . . . 11_655 ?
B1 B4 B9 C8 96.93(11) . . . . ?
B1 B5 B6 B1 98.74(13) . . . 11_655 ?
B1 B5 B6 Co2 29.77(8) . . . . ?
B1 B5 B6 B5 136.54(8) . . . 11_655 ?
B1 B5 B9 B4 37.46(9) . . . . ?
B1 B5 B9 B4 -62.99(12) . . . 11_655 ?
B1 B5 B9 B5 -100.51(9) . . . 11_655 ?
B1 B5 B9 C8 -1.43(11) . . . . ?
B1 B3 C8 B4 -39.54(9) . . . . ?
B1 B3 C8 B4 64.35(12) . . . 11_655 ?
B1 B3 C8 B3 101.60(8) . . . 11_655 ?
B1 B3 C8 C8 -148.72(11) . . . 9_666 ?
B1 B3 C8 B9 -3.48(11) . . . . ?
Co2 C1 B4 B5 -108.79(10) . . . . ?
Co2 C1 B4 B3 31.60(9) . . . . ?
Co2 C1 B4 C8 -8.61(13) . . . . ?
Co2 C1 B4 B9 -70.74(12) . . . . ?
Co2 C1 B5 B4 109.09(10) . . . . ?
Co2 C1 B5 B5 8.23(9) . . . 11_655 ?
Co2 C1 B5 B6 -30.41(9) . . . . ?
Co2 C1 B5 B9 71.12(11) . . . . ?
Co2 C1 B6 C1 50.88(10) . . . 11_655 ?
Co2 C1 B6 B5 150.52(9) . . . . ?
Co2 C1 B6 B5 112.32(10) . . . 11_655 ?
Co2 C1 B3 B4 -149.42(8) . . . . ?
Co2 C1 B3 B3 -49.26(4) . . . 11_655 ?
Co2 C1 B3 C8 -109.99(8) . . . . ?
Co2 B1 B4 B5 -108.79(10) . . . . ?
Co2 B1 B4 B3 31.60(9) . . . . ?
Co2 B1 B4 C8 -8.61(13) . . . . ?
Co2 B1 B4 B9 -70.74(12) . . . . ?
Co2 B1 B5 B4 109.09(10) . . . . ?
Co2 B1 B5 B5 8.23(9) . . . 11_655 ?
Co2 B1 B5 B6 -30.41(9) . . . . ?
Co2 B1 B5 B9 71.12(11) . . . . ?
Co2 B1 B6 B1 50.88(10) . . . 11_655 ?
Co2 B1 B6 B5 112.32(10) . . . 11_655 ?
Co2 B1 B6 B5 150.52(9) . . . . ?
Co2 B1 B3 B4 -149.42(8) . . . . ?
Co2 B1 B3 B3 -49.26(4) . . . 11_655 ?
Co2 B1 B3 C8 -109.99(8) . . . . ?
Co2 B3 C8 B4 -3.79(13) . . . 11_655 ?
Co2 B3 C8 B4 -107.68(9) . . . . ?
Co2 B3 C8 B3 33.46(10) . . . 11_655 ?
Co2 B3 C8 C8 143.15(9) . . . 9_666 ?
Co2 B3 C8 B9 -71.62(10) . . . . ?
Co2 C23 C24 C25 -60.00(10) . . . . ?
Co2 C24 C25 C25 -59.57(4) . . . 11_655 ?
B4 C1 B5 B5 -100.87(7) . . . 11_655 ?
B4 C1 B5 B6 -139.50(11) . . . . ?
B4 C1 B5 B9 -37.97(9) . . . . ?
B4 C1 B6 C1 -62.23(15) . . . 11_655 ?
B4 C1 B6 Co2 -113.10(9) . . . . ?
B4 C1 B6 B5 37.42(10) . . . . ?
B4 C1 B6 B5 -0.79(14) . . . 11_655 ?
B4 C1 B3 Co2 149.42(8) . . . . ?
B4 C1 B3 B3 100.16(7) . . . 11_655 ?
B4 C1 B3 C8 39.43(8) . . . . ?
B4 B1 B5 B5 -100.87(7) . . . 11_655 ?
B4 B1 B5 B6 -139.50(11) . . . . ?
B4 B1 B5 B9 -37.97(9) . . . . ?
B4 B1 B6 B1 -62.23(15) . . . 11_655 ?
B4 B1 B6 Co2 -113.10(9) . . . . ?
B4 B1 B6 B5 37.42(10) . . . . ?
B4 B1 B6 B5 -0.79(14) . . . 11_655 ?
B4 B1 B3 Co2 149.42(8) . . . . ?
B4 B1 B3 B3 100.16(7) . . . 11_655 ?
B4 B1 B3 C8 39.43(8) . . . . ?
B4 B5 B6 C1 62.95(12) . . . 11_655 ?
B4 B5 B6 C1 -35.79(9) . . . . ?
B4 B5 B6 B1 62.95(12) . . . 11_655 ?
B4 B5 B6 B1 -35.79(9) . . . . ?
B4 B5 B6 Co2 -6.02(12) . . . . ?
B4 B5 B6 B5 100.75(9) . . . 11_655 ?
B4 B5 B9 B4 -100.45(14) . . . 11_655 ?
B4 B5 B9 B5 -137.97(9) . . . 11_655 ?
B4 B5 B9 C8 -38.89(8) . . . . ?
B4 B3 C8 B4 103.89(14) . . . 11_655 ?
B4 B3 C8 B3 141.14(8) . . . 11_655 ?
B4 B3 C8 C8 -109.18(12) . . . 9_666 ?
B4 B3 C8 B9 36.06(8) . . . . ?
B4 C8 B9 B4 -141.56(14) 11_655 . . . ?
B4 C8 B9 B4 141.56(14) . . . 11_655 ?
B4 C8 B9 B5 39.42(8) . . . . ?
B4 C8 B9 B5 102.14(11) . . . 11_655 ?
B4 C8 B9 B5 -39.42(8) 11_655 . . 11_655 ?
B4 C8 B9 B5 -102.14(11) 11_655 . . . ?
B5 C1 B4 B3 140.38(10) . . . . ?
B5 C1 B4 C8 100.17(11) . . . . ?
B5 C1 B4 B9 38.05(10) . . . . ?
B5 C1 B6 C1 -99.64(12) . . . 11_655 ?
B5 C1 B6 Co2 -150.52(9) . . . . ?
B5 C1 B6 B5 -38.20(9) . . . 11_655 ?
B5 C1 B3 Co2 112.45(10) . . . . ?
B5 C1 B3 B4 -36.96(10) . . . . ?
B5 C1 B3 B3 63.20(9) . . . 11_655 ?
B5 C1 B3 C8 2.47(12) . . . . ?
B5 B1 B4 B3 140.38(10) . . . . ?
B5 B1 B4 C8 100.17(11) . . . . ?
B5 B1 B4 B9 38.05(10) . . . . ?
B5 B1 B6 B1 -99.64(12) . . . 11_655 ?
B5 B1 B6 Co2 -150.52(9) . . . . ?
B5 B1 B6 B5 -38.20(9) . . . 11_655 ?
B5 B1 B3 Co2 112.45(10) . . . . ?
B5 B1 B3 B4 -36.96(10) . . . . ?
B5 B1 B3 B3 63.20(9) . . . 11_655 ?
B5 B1 B3 C8 2.47(12) . . . . ?
B5 B4 B3 C1 35.54(10) . . . . ?
B5 B4 B3 B1 35.54(10) . . . . ?
B5 B4 B3 Co2 4.54(13) . . . . ?
B5 B4 B3 B3 -63.84(9) . . . 11_655 ?
B5 B4 B3 C8 -97.90(11) . . . . ?
B5 B4 C8 B4 -3.33(16) . . . 11_655 ?
B5 B4 C8 B3 64.90(12) . . . 11_655 ?
B5 B4 C8 B3 102.41(10) . . . . ?
B5 B4 C8 C8 -148.09(16) . . . 9_666 ?
B5 B4 C8 B9 -39.62(10) . . . . ?
B5 B4 B9 B4 100.97(13) . . . 11_655 ?
B5 B4 B9 B5 37.70(10) . . . 11_655 ?
B5 B4 B9 C8 134.90(11) . . . . ?
B5 B5 B6 C1 -37.80(6) 11_655 . . 11_655 ?
B5 B5 B6 C1 -136.54(8) 11_655 . . . ?
B5 B5 B6 B1 -136.54(8) 11_655 . . . ?
B5 B5 B6 B1 -37.80(6) 11_655 . . 11_655 ?
B5 B5 B6 Co2 -106.77(9) 11_655 . . . ?
B5 B5 B9 B4 37.52(6) 11_655 . . 11_655 ?
B5 B5 B9 B4 137.97(9) 11_655 . . . ?
B5 B5 B9 C8 99.08(8) 11_655 . . . ?
B6 C1 B4 B5 -37.38(10) . . . . ?
B6 C1 B4 B3 103.00(11) . . . . ?
B6 C1 B4 C8 62.79(12) . . . . ?
B6 C1 B4 B9 0.67(13) . . . . ?
B6 C1 B5 B4 139.50(11) . . . . ?
B6 C1 B5 B5 38.64(7) . . . 11_655 ?
B6 C1 B5 B9 101.53(10) . . . . ?
B6 C1 B3 Co2 46.43(9) . . . . ?
B6 C1 B3 B4 -102.99(12) . . . . ?
B6 C1 B3 B3 -2.83(11) . . . 11_655 ?
B6 C1 B3 C8 -63.56(12) . . . . ?
B6 B1 B4 B5 -37.38(10) . . . . ?
B6 B1 B4 B3 103.00(11) . . . . ?
B6 B1 B4 C8 62.79(12) . . . . ?
B6 B1 B4 B9 0.67(13) . . . . ?
B6 B1 B5 B4 139.50(11) . . . . ?
B6 B1 B5 B5 38.64(7) . . . 11_655 ?
B6 B1 B5 B9 101.53(10) . . . . ?
B6 B1 B3 Co2 46.43(9) . . . . ?
B6 B1 B3 B4 -102.99(12) . . . . ?
B6 B1 B3 B3 -2.83(11) . . . 11_655 ?
B6 B1 B3 C8 -63.56(12) . . . . ?
B6 B5 B9 B4 100.66(11) . . . . ?
B6 B5 B9 B4 0.21(14) . . . 11_655 ?
B6 B5 B9 B5 -37.31(12) . . . 11_655 ?
B6 B5 B9 C8 61.77(11) . . . . ?
B3 C1 B4 B5 -140.38(10) . . . . ?
B3 C1 B4 C8 -40.21(9) . . . . ?
B3 C1 B4 B9 -102.34(11) . . . . ?
B3 C1 B5 B4 37.29(10) . . . . ?
B3 C1 B5 B5 -63.58(9) . . . 11_655 ?
B3 C1 B5 B6 -102.21(11) . . . . ?
B3 C1 B5 B9 -0.68(13) . . . . ?
B3 C1 B6 C1 4.49(17) . . . 11_655 ?
B3 C1 B6 Co2 -46.39(8) . . . . ?
B3 C1 B6 B5 104.13(11) . . . . ?
B3 C1 B6 B5 65.93(13) . . . 11_655 ?
B3 B1 B4 B5 -140.38(10) . . . . ?
B3 B1 B4 C8 -40.21(9) . . . . ?
B3 B1 B4 B9 -102.34(11) . . . . ?
B3 B1 B5 B4 37.29(10) . . . . ?
B3 B1 B5 B5 -63.58(9) . . . 11_655 ?
B3 B1 B5 B6 -102.21(11) . . . . ?
B3 B1 B5 B9 -0.68(13) . . . . ?
B3 B1 B6 B1 4.49(17) . . . 11_655 ?
B3 B1 B6 Co2 -46.39(8) . . . . ?
B3 B1 B6 B5 104.13(11) . . . . ?
B3 B1 B6 B5 65.93(13) . . . 11_655 ?
B3 B4 B5 C1 -35.36(9) . . . . ?
B3 B4 B5 B1 -35.36(9) . . . . ?
B3 B4 B5 B5 64.38(9) . . . 11_655 ?
B3 B4 B5 B6 0.87(13) . . . . ?
B3 B4 B5 B9 101.84(11) . . . . ?
B3 B4 C8 B4 -105.74(12) . . . 11_655 ?
B3 B4 C8 B3 -37.51(9) . . . 11_655 ?
B3 B4 C8 C8 109.50(18) . . . 9_666 ?
B3 B4 C8 B9 -142.02(11) . . . . ?
B3 B4 B9 B4 0.15(17) . . . 11_655 ?
B3 B4 B9 B5 -100.81(10) . . . . ?
B3 B4 B9 B5 -63.11(13) . . . 11_655 ?
B3 B4 B9 C8 34.09(10) . . . . ?
B3 B3 C8 B4 -141.14(8) 11_655 . . . ?
B3 B3 C8 B4 -37.25(7) 11_655 . . 11_655 ?
B3 B3 C8 C8 109.68(13) 11_655 . . 9_666 ?
B3 B3 C8 B9 -105.08(9) 11_655 . . . ?
B3 C8 B9 B4 -105.29(11) 11_655 . . . ?
B3 C8 B9 B4 -36.27(9) . . . . ?
B3 C8 B9 B4 105.29(11) . . . 11_655 ?
B3 C8 B9 B4 36.27(9) 11_655 . . 11_655 ?
B3 C8 B9 B5 -3.15(11) 11_655 . . 11_655 ?
B3 C8 B9 B5 3.15(11) . . . . ?
B3 C8 B9 B5 65.87(8) . . . 11_655 ?
B3 C8 B9 B5 -65.87(8) 11_655 . . . ?
C8 B4 B5 C1 -97.79(11) . . . . ?
C8 B4 B5 B1 -97.79(11) . . . . ?
C8 B4 B5 B5 1.95(10) . . . 11_655 ?
C8 B4 B5 B6 -61.56(12) . . . . ?
C8 B4 B5 B9 39.41(10) . . . . ?
C8 B4 B3 C1 133.44(10) . . . . ?
C8 B4 B3 B1 133.44(10) . . . . ?
C8 B4 B3 Co2 102.44(10) . . . . ?
C8 B4 B3 B3 34.06(7) . . . 11_655 ?
C8 B4 B9 B4 -33.94(12) . . . 11_655 ?
C8 B4 B9 B5 -97.21(11) . . . 11_655 ?
C8 B4 B9 B5 -134.90(11) . . . . ?
C8 C8 B9 B4 109.22(7) 9_666 . . . ?
C8 C8 B9 B4 -109.22(7) 9_666 . . 11_655 ?
C8 C8 B9 B5 -148.64(7) 9_666 . . 11_655 ?
C8 C8 B9 B5 148.64(7) 9_666 . . . ?
C23 C24 C25 Co2 59.92(11) . . . . ?
C23 C24 C25 C25 0.35(12) . . . 11_655 ?
C24 C23 C24 Co2 59.44(12) 11_655 . . . ?
C24 C23 C24 C25 -0.6(2) 11_655 . . . ?
B9 B4 B5 C1 -137.20(11) . . . . ?
B9 B4 B5 B1 -137.20(11) . . . . ?
B9 B4 B5 B5 -37.47(7) . . . 11_655 ?
B9 B4 B5 B6 -100.98(11) . . . . ?
B9 B4 B3 C1 99.28(12) . . . . ?
B9 B4 B3 B1 99.28(12) . . . . ?
B9 B4 B3 Co2 68.29(12) . . . . ?
B9 B4 B3 B3 -0.10(11) . . . 11_655 ?
B9 B4 B3 C8 -34.15(10) . . . . ?
B9 B4 C8 B4 36.29(13) . . . 11_655 ?
B9 B4 C8 B3 104.52(12) . . . 11_655 ?
B9 B4 C8 B3 142.02(11) . . . . ?
B9 B4 C8 C8 -108.48(19) . . . 9_666 ?
B9 B5 B6 C1 -99.34(11) . . . . ?
B9 B5 B6 C1 -0.60(14) . . . 11_655 ?
B9 B5 B6 B1 -0.60(14) . . . 11_655 ?
B9 B5 B6 B1 -99.34(11) . . . . ?
B9 B5 B6 Co2 -69.57(11) . . . . ?
B9 B5 B6 B5 37.20(12) . . . 11_655 ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.180
_oxdiff_exptl_absorpt_empirical_full_min 0.506
####################################################################### 
# 
# 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_gos0169t
_database_code_depnum_ccdc_archive 'CCDC 1516772'

_audit_update_record             
;
2016-11-11 deposited with the CCDC.
2016-12-19 downloaded from the CCDC.
;
_audit_creation_date             2016-10-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H48 B18 Ru2'
_chemical_formula_sum            'C24 H48 B18 Ru2'
_chemical_formula_weight         733.34
_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'
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                   9.3011(6)
_cell_length_b                   41.899(3)
_cell_length_c                   9.3950(6)
_cell_angle_alpha                90
_cell_angle_beta                 113.751(2)
_cell_angle_gamma                90
_cell_volume                     3351.2(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    29221
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_shelx_estimated_absorpt_T_max   0.973
_shelx_estimated_absorpt_T_min   0.930
_exptl_absorpt_coefficient_mu    0.920
_exptl_absorpt_correction_T_max  0.9729
_exptl_absorpt_correction_T_min  0.9301
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0647
_diffrn_reflns_av_unetI/netI     0.0457
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            18710
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.681
_diffrn_reflns_theta_min         3.065
_diffrn_ambient_temperature      120.15
_diffrn_detector_area_resol_mean '4096 x 4096pixels,62x62mm'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  
'Bruker-Nonius APEX II CCD camera on κ-goniostat'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5684
_reflns_number_total             6370
_reflns_special_details          
;
 _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_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_cell_refinement       
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction        
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.209
_refine_diff_density_min         -1.167
_refine_diff_density_rms         0.163
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.276
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         6370
_refine_ls_number_restraints     105
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0657
_refine_ls_restrained_S_all      1.272
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+22.0205P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1228
_refine_ls_wR_factor_ref         0.1307
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.66(3) 0.34(3)
2. 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
3. Restrained distances
 C27'-C28' \\sim C27'-C29C \\sim C27'-C29'
 with sigma of 0.02
4. Rigid bond restraints
 C30, C31, C32, C33, C34, C35
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C20', C21', C22', C23', C24', C25'
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
C30 \\sim C31 \\sim C32 \\sim C33 \\sim C34 \\sim C35: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
C20' \\sim C21' \\sim C22' \\sim C23' \\sim C24' \\sim C25': within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08
C28' \\sim C29' \\sim C29C: within 2A with sigma of 0.02 and sigma for terminal
atoms of 0.04
Uanis(C23') \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
6. Others
 Sof(H27A)=Sof(C29C)=Sof(H29D)=Sof(H29E)=Sof(H29F)=1-FVAR(1)
 Sof(H27')=Sof(C29')=Sof(H29A)=Sof(H29B)=Sof(H29C)=FVAR(1)
7.a Ternary CH refined with riding coordinates:
 C31(H31), C32(H32), C34(H34), C35(H35), C37(H37), C21'(H21'), C22'(H22'),
 C24'(H24'), C25'(H25'), C27'(H27'), C27'(H27A)
7.b Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C26'(H26A,H26B,
 H26C), C28'(H28A,H28B,H28C), C29'(H29A,H29B,H29C), C29C(H29D,H29E,H29F)
;
_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 0.5601(7) 0.11005(15) 0.2409(7) 0.0126(13) Uani 1 1 d . . . . .
C2 C 0.5991(8) 0.07528(16) 0.3309(8) 0.0169(14) Uani 1 1 d . . . . .
H2 H 0.561(8) 0.0697(17) 0.411(8) 0.020 Uiso 1 1 d R . . . .
Ru3 Ru 0.40493(6) 0.06851(2) 0.10205(6) 0.01233(14) Uani 1 1 d . . . . .
B4 B 0.5577(8) 0.10440(19) 0.0566(9) 0.0153(15) Uani 1 1 d . . . . .
H4 H 0.491(8) 0.1210(17) -0.029(8) 0.018 Uiso 1 1 d R . . . .
B5 B 0.7239(8) 0.12197(18) 0.2109(8) 0.0137(15) Uani 1 1 d . . . . .
H5 H 0.740(8) 0.1466(17) 0.203(8) 0.016 Uiso 1 1 d R . . . .
B6 B 0.7491(8) 0.10347(19) 0.3864(9) 0.0161(16) Uani 1 1 d . . . . .
H6 H 0.772(8) 0.1152(17) 0.486(8) 0.019 Uiso 1 1 d R . . . .
B7 B 0.6279(9) 0.04425(18) 0.2208(9) 0.0144(15) Uani 1 1 d . . . . .
H7 H 0.622(8) 0.0203(17) 0.251(8) 0.017 Uiso 1 1 d R . . . .
B8 B 0.6059(9) 0.06288(19) 0.0382(9) 0.0172(16) Uani 1 1 d . . . . .
H8 H 0.572(8) 0.0529(17) -0.066(8) 0.021 Uiso 1 1 d R . . . .
B9 B 0.7529(8) 0.09328(18) 0.0873(8) 0.0139(15) Uani 1 1 d . . . . .
H9 H 0.805(8) 0.0997(16) 0.013(8) 0.017 Uiso 1 1 d R . . . .
B10 B 0.8705(8) 0.09229(18) 0.2915(9) 0.0156(15) Uani 1 1 d . . . . .
H10 H 0.994(8) 0.0989(16) 0.342(8) 0.019 Uiso 1 1 d R . . . .
B11 B 0.7903(8) 0.06279(18) 0.3731(9) 0.0152(15) Uani 1 1 d . . . . .
H11 H 0.848(8) 0.0499(16) 0.476(8) 0.018 Uiso 1 1 d R . . . .
B12 B 0.7967(8) 0.05621(18) 0.1897(9) 0.0151(15) Uani 1 1 d . . . . .
H12 H 0.878(8) 0.0372(16) 0.183(8) 0.018 Uiso 1 1 d R . . . .
C30 C 0.2508(7) 0.02921(17) 0.1294(8) 0.0214(14) Uani 1 1 d . U . . .
C31 C 0.1708(7) 0.05867(16) 0.1253(8) 0.0192(14) Uani 1 1 d . U . . .
H31 H 0.1584 0.0660 0.2211 0.023 Uiso 1 1 calc R . . . .
C32 C 0.1394(7) 0.08023(17) 0.0018(8) 0.0192(14) Uani 1 1 d . U . . .
H32 H 0.1075 0.1024 0.0150 0.023 Uiso 1 1 calc R . . . .
C33 C 0.1852(8) 0.07436(18) -0.1209(8) 0.0237(15) Uani 1 1 d . U . . .
C34 C 0.2595(8) 0.04530(17) -0.1206(8) 0.0231(15) Uani 1 1 d . U . . .
H34 H 0.3050 0.0417 -0.1992 0.028 Uiso 1 1 calc R . . . .
C35 C 0.2919(7) 0.02327(16) 0.0015(8) 0.0186(14) Uani 1 1 d . U . . .
H35 H 0.3598 0.0044 0.0063 0.022 Uiso 1 1 calc R . . . .
C36 C 0.1541(9) 0.0984(2) -0.2518(9) 0.0340(19) Uani 1 1 d . . . . .
H36A H 0.2333 0.0958 -0.2951 0.051 Uiso 1 1 calc GR . . . .
H36B H 0.1597 0.1201 -0.2110 0.051 Uiso 1 1 calc GR . . . .
H36C H 0.0494 0.0947 -0.3335 0.051 Uiso 1 1 calc GR . . . .
C37 C 0.2855(9) 0.00489(19) 0.2553(9) 0.0288(17) Uani 1 1 d . . . . .
H37 H 0.3910 -0.0045 0.2768 0.035 Uiso 1 1 calc R . . . .
C38 C 0.2895(10) 0.0191(2) 0.4078(9) 0.041(2) Uani 1 1 d . . . . .
H38A H 0.3671 0.0364 0.4424 0.061 Uiso 1 1 calc GR . . . .
H38B H 0.3184 0.0024 0.4876 0.061 Uiso 1 1 calc GR . . . .
H38C H 0.1855 0.0276 0.3905 0.061 Uiso 1 1 calc GR . . . .
C39 C 0.1618(9) -0.02221(19) 0.1981(9) 0.0308(18) Uani 1 1 d . . . . .
H39A H 0.0569 -0.0133 0.1734 0.046 Uiso 1 1 calc GR . . . .
H39B H 0.1853 -0.0383 0.2799 0.046 Uiso 1 1 calc GR . . . .
H39C H 0.1649 -0.0321 0.1048 0.046 Uiso 1 1 calc GR . . . .
C1' C 0.3171(8) 0.15589(16) 0.4576(8) 0.0162(14) Uani 1 1 d . . . . .
H1' H 0.277(8) 0.1469(17) 0.529(8) 0.019 Uiso 1 1 d R . . . .
Ru2' Ru 0.51691(6) 0.18656(2) 0.58350(6) 0.01065(13) Uani 1 1 d . . . . .
B3' B 0.4974(8) 0.13951(17) 0.4814(8) 0.0127(14) Uani 1 1 d . . . . .
H3' H 0.552(8) 0.1167(16) 0.557(8) 0.015 Uiso 1 1 d R . . . .
B4' B 0.3167(8) 0.12849(17) 0.3258(9) 0.0139(15) Uani 1 1 d . . . . .
H4' H 0.283(8) 0.1064(17) 0.328(8) 0.017 Uiso 1 1 d R . . . .
B5' B 0.1895(9) 0.16177(19) 0.2650(9) 0.0171(16) Uani 1 1 d . . . . .
H5' H 0.066(8) 0.1613(16) 0.232(8) 0.021 Uiso 1 1 d R . . . .
B6' B 0.2920(8) 0.19473(19) 0.3877(8) 0.0144(15) Uani 1 1 d . . . . .
H6' H 0.213(8) 0.2109(16) 0.413(8) 0.017 Uiso 1 1 d R . . . .
B7' B 0.5922(9) 0.16942(17) 0.4058(8) 0.0140(15) Uani 1 1 d . . . . .
H7' H 0.714(8) 0.1692(16) 0.432(8) 0.017 Uiso 1 1 d R . . . .
C8' C 0.4770(7) 0.13720(14) 0.2900(7) 0.0102(12) Uani 1 1 d . . . . .
B9' B 0.2975(8) 0.15007(19) 0.1556(8) 0.0154(15) Uani 1 1 d . . . . .
H9' H 0.251(8) 0.1408(16) 0.044(8) 0.018 Uiso 1 1 d R . . . .
B10' B 0.2831(8) 0.19086(18) 0.1935(9) 0.0156(15) Uani 1 1 d . . . . .
H10' H 0.218(8) 0.2058(17) 0.110(8) 0.019 Uiso 1 1 d R . . . .
B11' B 0.4618(8) 0.20321(19) 0.3443(8) 0.0142(15) Uani 1 1 d . . . . .
H11' H 0.500(8) 0.2238(17) 0.337(8) 0.017 Uiso 1 1 d R . . . .
B12' B 0.4658(8) 0.17507(18) 0.2066(8) 0.0131(15) Uani 1 1 d . . . . .
H12' H 0.514(8) 0.1790(16) 0.125(8) 0.016 Uiso 1 1 d R . . . .
C20' C 0.4773(7) 0.21984(16) 0.7558(7) 0.0155(13) Uani 1 1 d . U . . .
C21' C 0.5076(8) 0.18838(16) 0.8162(7) 0.0177(13) Uani 1 1 d . U . . .
H21' H 0.4215 0.1766 0.8316 0.021 Uiso 1 1 calc R . . . .
C22' C 0.6425(9) 0.17159(17) 0.8314(7) 0.0258(16) Uani 1 1 d . U . . .
H22' H 0.6500 0.1484 0.8577 0.031 Uiso 1 1 calc R . . . .
C23' C 0.7538(8) 0.18515(19) 0.7831(8) 0.0261(16) Uani 1 1 d . U . . .
C24' C 0.7226(8) 0.2162(2) 0.7178(8) 0.0279(16) Uani 1 1 d . U . . .
H24' H 0.7888 0.2248 0.6649 0.034 Uiso 1 1 calc R . . . .
C25' C 0.5880(9) 0.23319(16) 0.7053(8) 0.0218(15) Uani 1 1 d . U . . .
H25' H 0.5605 0.2533 0.6426 0.026 Uiso 1 1 calc R . . . .
C26' C 0.8964(10) 0.1665(3) 0.7982(11) 0.067(4) Uani 1 1 d . . . . .
H26A H 0.9832 0.1717 0.8973 0.100 Uiso 1 1 calc GR . . . .
H26B H 0.9261 0.1720 0.7123 0.100 Uiso 1 1 calc GR . . . .
H26C H 0.8734 0.1436 0.7951 0.100 Uiso 1 1 calc GR . . . .
C27' C 0.3342(9) 0.23809(18) 0.7475(8) 0.0306(19) Uani 1 1 d D . . . .
H27' H 0.2367 0.2248 0.7128 0.037 Uiso 0.556(17) 1 calc R . P A 1
H27A H 0.2939 0.2532 0.6577 0.037 Uiso 0.444(17) 1 calc R . P A 2
C28' C 0.3749(9) 0.25481(19) 0.9069(9) 0.0336(19) Uani 1 1 d D U . . .
H28A H 0.3983 0.2386 0.9886 0.050 Uiso 1 1 calc GR . . . .
H28B H 0.2852 0.2677 0.9023 0.050 Uiso 1 1 calc GR . . . .
H28C H 0.4666 0.2686 0.9303 0.050 Uiso 1 1 calc GR . . . .
C29' C 0.3160(15) 0.2703(3) 0.6419(14) 0.025(4) Uani 0.556(17) 1 d D U P A 1
H29A H 0.4125 0.2830 0.6865 0.038 Uiso 0.556(17) 1 calc GR . P A 1
H29B H 0.2271 0.2830 0.6409 0.038 Uiso 0.556(17) 1 calc GR . P A 1
H29C H 0.2975 0.2641 0.5354 0.038 Uiso 0.556(17) 1 calc GR . P A 1
C29C C 0.1994(19) 0.2115(4) 0.746(2) 0.032(5) Uani 0.444(17) 1 d D U P A 2
H29D H 0.1731 0.1975 0.6551 0.049 Uiso 0.444(17) 1 calc GR . P A 2
H29E H 0.1047 0.2227 0.7395 0.049 Uiso 0.444(17) 1 calc GR . P A 2
H29F H 0.2414 0.1987 0.8409 0.049 Uiso 0.444(17) 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 1.650(9) . ?
C1 Ru3 2.302(6) . ?
C1 B4 1.740(9) . ?
C1 B5 1.730(9) . ?
C1 B6 1.760(9) . ?
C1 C8' 1.546(8) . ?
C2 H2 0.98(7) . ?
C2 Ru3 2.199(6) . ?
C2 B6 1.740(10) . ?
C2 B7 1.748(9) . ?
C2 B11 1.739(9) . ?
Ru3 B4 2.226(7) . ?
Ru3 B7 2.171(7) . ?
Ru3 B8 2.194(7) . ?
Ru3 C30 2.265(6) . ?
Ru3 C31 2.311(6) . ?
Ru3 C32 2.314(6) . ?
Ru3 C33 2.275(6) . ?
Ru3 C34 2.207(7) . ?
Ru3 C35 2.189(6) . ?
B4 H4 1.05(7) . ?
B4 B5 1.797(10) . ?
B4 B8 1.822(11) . ?
B4 B9 1.782(10) . ?
B5 H5 1.05(7) . ?
B5 B6 1.750(10) . ?
B5 B9 1.766(10) . ?
B5 B10 1.774(10) . ?
B6 H6 1.01(7) . ?
B6 B10 1.761(11) . ?
B6 B11 1.762(11) . ?
B7 H7 1.05(7) . ?
B7 B8 1.820(11) . ?
B7 B11 1.786(10) . ?
B7 B12 1.781(10) . ?
B8 H8 0.99(7) . ?
B8 B9 1.788(11) . ?
B8 B12 1.794(10) . ?
B9 H9 1.04(7) . ?
B9 B10 1.785(10) . ?
B9 B12 1.786(10) . ?
B10 H10 1.08(7) . ?
B10 B11 1.770(11) . ?
B10 B12 1.773(10) . ?
B11 H11 1.05(7) . ?
B11 B12 1.769(11) . ?
B12 H12 1.12(7) . ?
C30 C31 1.434(10) . ?
C30 C35 1.423(10) . ?
C30 C37 1.494(10) . ?
C31 H31 1.0000 . ?
C31 C32 1.405(10) . ?
C32 H32 1.0000 . ?
C32 C33 1.402(10) . ?
C33 C34 1.399(10) . ?
C33 C36 1.524(10) . ?
C34 H34 1.0000 . ?
C34 C35 1.407(10) . ?
C35 H35 1.0000 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37 1.0000 . ?
C37 C38 1.539(11) . ?
C37 C39 1.551(10) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C1' H1' 0.97(7) . ?
C1' Ru2' 2.176(7) . ?
C1' B3' 1.741(9) . ?
C1' B4' 1.687(9) . ?
C1' B5' 1.736(10) . ?
C1' B6' 1.735(10) . ?
Ru2' B3' 2.168(7) . ?
Ru2' B6' 2.186(7) . ?
Ru2' B7' 2.176(7) . ?
Ru2' B11' 2.207(7) . ?
Ru2' C20' 2.277(6) . ?
Ru2' C21' 2.224(6) . ?
Ru2' C22' 2.234(6) . ?
Ru2' C23' 2.246(6) . ?
Ru2' C24' 2.203(7) . ?
Ru2' C25' 2.226(7) . ?
B3' H3' 1.18(7) . ?
B3' B4' 1.788(10) . ?
B3' B7' 1.832(10) . ?
B3' C8' 1.734(9) . ?
B4' H4' 0.98(7) . ?
B4' B5' 1.768(10) . ?
B4' C8' 1.695(9) . ?
B4' B9' 1.783(11) . ?
B5' H5' 1.07(7) . ?
B5' B6' 1.806(11) . ?
B5' B9' 1.771(10) . ?
B5' B10' 1.779(11) . ?
B6' H6' 1.09(7) . ?
B6' B10' 1.800(10) . ?
B6' B11' 1.817(10) . ?
B7' H7' 1.06(7) . ?
B7' C8' 1.793(9) . ?
B7' B11' 1.802(10) . ?
B7' B12' 1.781(10) . ?
C8' B9' 1.725(9) . ?
C8' B12' 1.754(9) . ?
B9' H9' 1.04(7) . ?
B9' B10' 1.762(11) . ?
B9' B12' 1.781(10) . ?
B10' H10' 0.99(7) . ?
B10' B11' 1.772(10) . ?
B10' B12' 1.781(10) . ?
B11' H11' 0.94(7) . ?
B11' B12' 1.762(10) . ?
B12' H12' 1.05(7) . ?
C20' C21' 1.418(9) . ?
C20' C25' 1.412(10) . ?
C20' C27' 1.509(9) . ?
C21' H21' 1.0000 . ?
C21' C22' 1.396(10) . ?
C22' H22' 1.0000 . ?
C22' C23' 1.406(11) . ?
C23' C24' 1.419(11) . ?
C23' C26' 1.496(10) . ?
C24' H24' 1.0000 . ?
C24' C25' 1.403(10) . ?
C25' H25' 1.0000 . ?
C26' H26A 0.9800 . ?
C26' H26B 0.9800 . ?
C26' H26C 0.9800 . ?
C27' H27' 1.0000 . ?
C27' H27A 1.0000 . ?
C27' C28' 1.556(9) . ?
C27' C29' 1.641(12) . ?
C27' C29C 1.672(13) . ?
C28' H28A 0.9800 . ?
C28' H28B 0.9800 . ?
C28' H28C 0.9800 . ?
C29' H29A 0.9800 . ?
C29' H29B 0.9800 . ?
C29' H29C 0.9800 . ?
C29C H29D 0.9800 . ?
C29C H29E 0.9800 . ?
C29C H29F 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 65.2(3) . . ?
C2 C1 B4 107.6(5) . . ?
C2 C1 B5 108.2(5) . . ?
C2 C1 B6 61.3(4) . . ?
B4 C1 Ru3 65.1(3) . . ?
B4 C1 B6 111.1(5) . . ?
B5 C1 Ru3 121.2(4) . . ?
B5 C1 B4 62.4(4) . . ?
B5 C1 B6 60.2(4) . . ?
B6 C1 Ru3 121.6(4) . . ?
C8' C1 C2 122.0(5) . . ?
C8' C1 Ru3 116.8(4) . . ?
C8' C1 B4 126.1(5) . . ?
C8' C1 B5 114.5(5) . . ?
C8' C1 B6 110.3(5) . . ?
C1 C2 H2 122(4) . . ?
C1 C2 Ru3 71.9(3) . . ?
C1 C2 B6 62.5(4) . . ?
C1 C2 B7 114.1(5) . . ?
C1 C2 B11 112.1(5) . . ?
Ru3 C2 H2 108(4) . . ?
B6 C2 H2 115(4) . . ?
B6 C2 Ru3 128.6(4) . . ?
B6 C2 B7 112.8(5) . . ?
B7 C2 H2 118(4) . . ?
B7 C2 Ru3 65.6(3) . . ?
B11 C2 H2 114(4) . . ?
B11 C2 Ru3 123.1(4) . . ?
B11 C2 B6 60.9(4) . . ?
B11 C2 B7 61.6(4) . . ?
C1 Ru3 C31 118.7(2) . . ?
C1 Ru3 C32 113.1(2) . . ?
C2 Ru3 C1 42.9(2) . . ?
C2 Ru3 B4 76.4(3) . . ?
C2 Ru3 C30 106.9(2) . . ?
C2 Ru3 C31 111.4(2) . . ?
C2 Ru3 C32 133.8(2) . . ?
C2 Ru3 C33 164.9(3) . . ?
C2 Ru3 C34 158.7(3) . . ?
B4 Ru3 C1 45.2(2) . . ?
B4 Ru3 C30 174.5(3) . . ?
B4 Ru3 C31 146.9(3) . . ?
B4 Ru3 C32 116.0(3) . . ?
B4 Ru3 C33 99.0(3) . . ?
B7 Ru3 C1 79.1(2) . . ?
B7 Ru3 C2 47.1(3) . . ?
B7 Ru3 B4 82.2(3) . . ?
B7 Ru3 B8 49.3(3) . . ?
B7 Ru3 C30 96.8(3) . . ?
B7 Ru3 C31 127.5(3) . . ?
B7 Ru3 C32 161.9(3) . . ?
B7 Ru3 C33 147.3(3) . . ?
B7 Ru3 C34 112.0(3) . . ?
B7 Ru3 C35 90.5(3) . . ?
B8 Ru3 C1 80.1(3) . . ?
B8 Ru3 C2 80.0(3) . . ?
B8 Ru3 B4 48.7(3) . . ?
B8 Ru3 C30 126.9(3) . . ?
B8 Ru3 C31 161.0(3) . . ?
B8 Ru3 C32 143.0(3) . . ?
B8 Ru3 C33 108.0(3) . . ?
B8 Ru3 C34 87.6(3) . . ?
C30 Ru3 C1 140.0(2) . . ?
C30 Ru3 C31 36.5(2) . . ?
C30 Ru3 C32 65.2(2) . . ?
C30 Ru3 C33 78.9(3) . . ?
C31 Ru3 C32 35.4(2) . . ?
C33 Ru3 C1 124.5(2) . . ?
C33 Ru3 C31 64.9(2) . . ?
C33 Ru3 C32 35.6(2) . . ?
C34 Ru3 C1 151.1(3) . . ?
C34 Ru3 B4 108.1(3) . . ?
C34 Ru3 C30 67.2(3) . . ?
C34 Ru3 C31 76.7(2) . . ?
C34 Ru3 C32 64.0(3) . . ?
C34 Ru3 C33 36.3(3) . . ?
C35 Ru3 C1 169.1(2) . . ?
C35 Ru3 C2 126.6(3) . . ?
C35 Ru3 B4 137.3(3) . . ?
C35 Ru3 B8 95.9(3) . . ?
C35 Ru3 C30 37.2(3) . . ?
C35 Ru3 C31 65.1(2) . . ?
C35 Ru3 C32 76.1(2) . . ?
C35 Ru3 C33 66.4(3) . . ?
C35 Ru3 C34 37.3(3) . . ?
C1 B4 Ru3 69.7(3) . . ?
C1 B4 H4 116(4) . . ?
C1 B4 B5 58.6(4) . . ?
C1 B4 B8 108.6(5) . . ?
C1 B4 B9 105.7(5) . . ?
Ru3 B4 H4 111(4) . . ?
B5 B4 Ru3 122.0(5) . . ?
B5 B4 H4 113(4) . . ?
B5 B4 B8 107.6(5) . . ?
B8 B4 Ru3 64.7(3) . . ?
B8 B4 H4 130(4) . . ?
B9 B4 Ru3 118.7(5) . . ?
B9 B4 H4 123(4) . . ?
B9 B4 B5 59.1(4) . . ?
B9 B4 B8 59.5(4) . . ?
C1 B5 B4 59.1(4) . . ?
C1 B5 H5 117(4) . . ?
C1 B5 B6 60.8(4) . . ?
C1 B5 B9 106.8(5) . . ?
C1 B5 B10 107.7(5) . . ?
B4 B5 H5 117(4) . . ?
B6 B5 B4 108.9(5) . . ?
B6 B5 H5 122(4) . . ?
B6 B5 B9 108.7(5) . . ?
B6 B5 B10 59.9(4) . . ?
B9 B5 B4 60.0(4) . . ?
B9 B5 H5 124(4) . . ?
B9 B5 B10 60.6(4) . . ?
B10 B5 B4 108.7(5) . . ?
B10 B5 H5 128(4) . . ?
C1 B6 H6 115(4) . . ?
C1 B6 B10 107.0(5) . . ?
C1 B6 B11 105.9(5) . . ?
C2 B6 C1 56.2(4) . . ?
C2 B6 B5 103.4(5) . . ?
C2 B6 H6 117(4) . . ?
C2 B6 B10 105.5(5) . . ?
C2 B6 B11 59.6(4) . . ?
B5 B6 C1 59.1(4) . . ?
B5 B6 H6 124(4) . . ?
B5 B6 B10 60.7(4) . . ?
B5 B6 B11 108.2(5) . . ?
B10 B6 H6 132(4) . . ?
B10 B6 B11 60.3(4) . . ?
B11 B6 H6 125(4) . . ?
C2 B7 Ru3 67.3(3) . . ?
C2 B7 H7 121(4) . . ?
C2 B7 B8 104.6(5) . . ?
C2 B7 B11 58.9(4) . . ?
C2 B7 B12 104.1(5) . . ?
Ru3 B7 H7 116(4) . . ?
B8 B7 Ru3 66.0(3) . . ?
B8 B7 H7 132(4) . . ?
B11 B7 Ru3 122.2(4) . . ?
B11 B7 H7 109(4) . . ?
B11 B7 B8 107.8(5) . . ?
B12 B7 Ru3 120.4(5) . . ?
B12 B7 H7 118(4) . . ?
B12 B7 B8 59.8(4) . . ?
B12 B7 B11 59.5(4) . . ?
Ru3 B8 H8 111(4) . . ?
B4 B8 Ru3 66.6(3) . . ?
B4 B8 H8 120(4) . . ?
B7 B8 Ru3 64.7(3) . . ?
B7 B8 B4 105.0(5) . . ?
B7 B8 H8 128(4) . . ?
B9 B8 Ru3 120.0(5) . . ?
B9 B8 B4 59.1(4) . . ?
B9 B8 B7 106.2(5) . . ?
B9 B8 H8 117(4) . . ?
B9 B8 B12 59.8(4) . . ?
B12 B8 Ru3 118.6(5) . . ?
B12 B8 B4 106.0(5) . . ?
B12 B8 B7 59.0(4) . . ?
B12 B8 H8 122(4) . . ?
B4 B9 B8 61.4(4) . . ?
B4 B9 H9 123(4) . . ?
B4 B9 B10 108.9(5) . . ?
B4 B9 B12 108.1(5) . . ?
B5 B9 B4 60.9(4) . . ?
B5 B9 B8 110.5(5) . . ?
B5 B9 H9 120(4) . . ?
B5 B9 B10 59.9(4) . . ?
B5 B9 B12 107.4(5) . . ?
B8 B9 H9 122(4) . . ?
B10 B9 B8 109.5(5) . . ?
B10 B9 H9 119(4) . . ?
B10 B9 B12 59.5(4) . . ?
B12 B9 B8 60.3(4) . . ?
B12 B9 H9 121(4) . . ?
B5 B10 B9 59.5(4) . . ?
B5 B10 H10 120(4) . . ?
B6 B10 B5 59.3(4) . . ?
B6 B10 B9 107.3(5) . . ?
B6 B10 H10 119(4) . . ?
B6 B10 B11 59.9(4) . . ?
B6 B10 B12 108.2(5) . . ?
B9 B10 H10 123(4) . . ?
B11 B10 B5 106.8(5) . . ?
B11 B10 B9 107.4(5) . . ?
B11 B10 H10 123(4) . . ?
B11 B10 B12 59.9(4) . . ?
B12 B10 B5 107.7(5) . . ?
B12 B10 B9 60.2(4) . . ?
B12 B10 H10 124(4) . . ?
C2 B11 B6 59.6(4) . . ?
C2 B11 B7 59.4(4) . . ?
C2 B11 B10 105.2(5) . . ?
C2 B11 H11 118(4) . . ?
C2 B11 B12 104.9(5) . . ?
B6 B11 B7 109.9(5) . . ?
B6 B11 B10 59.8(4) . . ?
B6 B11 H11 118(4) . . ?
B6 B11 B12 108.3(5) . . ?
B7 B11 H11 118(4) . . ?
B10 B11 B7 109.0(5) . . ?
B10 B11 H11 128(4) . . ?
B12 B11 B7 60.1(4) . . ?
B12 B11 B10 60.1(4) . . ?
B12 B11 H11 128(4) . . ?
B7 B12 B8 61.2(4) . . ?
B7 B12 B9 108.0(5) . . ?
B7 B12 H12 118(4) . . ?
B8 B12 H12 123(3) . . ?
B9 B12 B8 59.9(4) . . ?
B9 B12 H12 127(4) . . ?
B10 B12 B7 109.1(5) . . ?
B10 B12 B8 109.8(5) . . ?
B10 B12 B9 60.2(4) . . ?
B10 B12 H12 121(3) . . ?
B11 B12 B7 60.4(4) . . ?
B11 B12 B8 109.7(5) . . ?
B11 B12 B9 107.4(5) . . ?
B11 B12 B10 60.0(4) . . ?
B11 B12 H12 117(3) . . ?
C31 C30 Ru3 73.5(4) . . ?
C31 C30 C37 123.6(7) . . ?
C35 C30 Ru3 68.5(4) . . ?
C35 C30 C31 116.2(6) . . ?
C35 C30 C37 120.2(7) . . ?
C37 C30 Ru3 129.8(5) . . ?
Ru3 C31 H31 119.0 . . ?
C30 C31 Ru3 70.0(4) . . ?
C30 C31 H31 119.0 . . ?
C32 C31 Ru3 72.4(4) . . ?
C32 C31 C30 120.6(6) . . ?
C32 C31 H31 119.0 . . ?
Ru3 C32 H32 118.0 . . ?
C31 C32 Ru3 72.2(4) . . ?
C31 C32 H32 118.0 . . ?
C33 C32 Ru3 70.7(4) . . ?
C33 C32 C31 122.4(7) . . ?
C33 C32 H32 118.0 . . ?
C32 C33 Ru3 73.7(4) . . ?
C32 C33 C36 121.7(7) . . ?
C34 C33 Ru3 69.2(4) . . ?
C34 C33 C32 117.7(7) . . ?
C34 C33 C36 120.6(7) . . ?
C36 C33 Ru3 128.5(5) . . ?
Ru3 C34 H34 119.1 . . ?
C33 C34 Ru3 74.5(4) . . ?
C33 C34 H34 119.1 . . ?
C33 C34 C35 121.1(7) . . ?
C35 C34 Ru3 70.6(4) . . ?
C35 C34 H34 119.1 . . ?
Ru3 C35 H35 118.6 . . ?
C30 C35 Ru3 74.3(4) . . ?
C30 C35 H35 118.6 . . ?
C34 C35 Ru3 72.0(4) . . ?
C34 C35 C30 122.1(6) . . ?
C34 C35 H35 118.6 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C30 C37 H37 108.1 . . ?
C30 C37 C38 112.9(7) . . ?
C30 C37 C39 109.4(6) . . ?
C38 C37 H37 108.1 . . ?
C38 C37 C39 110.0(6) . . ?
C39 C37 H37 108.1 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Ru2' C1' H1' 110(4) . . ?
B3' C1' H1' 112(4) . . ?
B3' C1' Ru2' 66.1(3) . . ?
B4' C1' H1' 111(4) . . ?
B4' C1' Ru2' 123.3(4) . . ?
B4' C1' B3' 62.8(4) . . ?
B4' C1' B5' 62.2(4) . . ?
B4' C1' B6' 113.6(5) . . ?
B5' C1' H1' 119(4) . . ?
B5' C1' Ru2' 123.9(4) . . ?
B5' C1' B3' 114.1(5) . . ?
B6' C1' H1' 127(4) . . ?
B6' C1' Ru2' 66.9(3) . . ?
B6' C1' B3' 113.2(5) . . ?
B6' C1' B5' 62.7(4) . . ?
C1' Ru2' B6' 46.9(3) . . ?
C1' Ru2' B7' 81.7(3) . . ?
C1' Ru2' B11' 80.6(3) . . ?
C1' Ru2' C20' 113.6(2) . . ?
C1' Ru2' C21' 101.1(2) . . ?
C1' Ru2' C22' 112.0(3) . . ?
C1' Ru2' C23' 140.7(3) . . ?
C1' Ru2' C24' 177.9(3) . . ?
C1' Ru2' C25' 144.1(3) . . ?
B3' Ru2' C1' 47.3(2) . . ?
B3' Ru2' B6' 83.6(3) . . ?
B3' Ru2' B7' 49.9(3) . . ?
B3' Ru2' B11' 83.9(3) . . ?
B3' Ru2' C20' 149.7(3) . . ?
B3' Ru2' C21' 115.9(3) . . ?
B3' Ru2' C22' 97.0(3) . . ?
B3' Ru2' C23' 103.0(3) . . ?
B3' Ru2' C24' 131.7(3) . . ?
B3' Ru2' C25' 168.6(3) . . ?
B6' Ru2' B11' 48.9(3) . . ?
B6' Ru2' C20' 97.4(3) . . ?
B6' Ru2' C21' 114.8(3) . . ?
B6' Ru2' C22' 147.4(3) . . ?
B6' Ru2' C23' 172.4(3) . . ?
B6' Ru2' C24' 135.2(3) . . ?
B6' Ru2' C25' 106.3(3) . . ?
B7' Ru2' B6' 84.3(3) . . ?
B7' Ru2' B11' 48.5(3) . . ?
B7' Ru2' C20' 160.4(3) . . ?
B7' Ru2' C21' 156.6(3) . . ?
B7' Ru2' C22' 120.8(3) . . ?
B7' Ru2' C23' 97.0(3) . . ?
B7' Ru2' C24' 98.7(3) . . ?
B7' Ru2' C25' 124.3(3) . . ?
B11' Ru2' C20' 119.5(3) . . ?
B11' Ru2' C21' 154.8(3) . . ?
B11' Ru2' C22' 163.7(3) . . ?
B11' Ru2' C23' 127.3(3) . . ?
B11' Ru2' C25' 98.3(3) . . ?
C21' Ru2' C20' 36.7(2) . . ?
C21' Ru2' C22' 36.5(3) . . ?
C21' Ru2' C23' 66.0(3) . . ?
C21' Ru2' C25' 65.5(2) . . ?
C22' Ru2' C20' 66.2(2) . . ?
C22' Ru2' C23' 36.6(3) . . ?
C23' Ru2' C20' 78.9(2) . . ?
C24' Ru2' B11' 101.3(3) . . ?
C24' Ru2' C20' 66.4(2) . . ?
C24' Ru2' C21' 77.7(3) . . ?
C24' Ru2' C22' 66.0(3) . . ?
C24' Ru2' C23' 37.2(3) . . ?
C24' Ru2' C25' 36.9(3) . . ?
C25' Ru2' C20' 36.5(2) . . ?
C25' Ru2' C22' 77.8(3) . . ?
C25' Ru2' C23' 66.8(3) . . ?
C1' B3' Ru2' 66.6(3) . . ?
C1' B3' H3' 124(3) . . ?
C1' B3' B4' 57.1(4) . . ?
C1' B3' B7' 105.6(5) . . ?
Ru2' B3' H3' 122(3) . . ?
B4' B3' Ru2' 118.7(4) . . ?
B4' B3' H3' 109(3) . . ?
B4' B3' B7' 107.5(5) . . ?
B7' B3' Ru2' 65.3(3) . . ?
B7' B3' H3' 129(3) . . ?
C8' B3' C1' 101.0(5) . . ?
C8' B3' Ru2' 117.7(4) . . ?
C8' B3' H3' 115(3) . . ?
C8' B3' B4' 57.5(4) . . ?
C8' B3' B7' 60.3(4) . . ?
C1' B4' B3' 60.0(4) . . ?
C1' B4' H4' 122(4) . . ?
C1' B4' B5' 60.3(4) . . ?
C1' B4' C8' 104.9(5) . . ?
C1' B4' B9' 106.4(5) . . ?
B3' B4' H4' 115(4) . . ?
B5' B4' B3' 110.3(5) . . ?
B5' B4' H4' 125(4) . . ?
B5' B4' B9' 59.8(4) . . ?
C8' B4' B3' 59.6(4) . . ?
C8' B4' H4' 121(4) . . ?
C8' B4' B5' 107.1(5) . . ?
C8' B4' B9' 59.4(4) . . ?
B9' B4' B3' 108.9(5) . . ?
B9' B4' H4' 125(4) . . ?
C1' B5' B4' 57.6(4) . . ?
C1' B5' H5' 120(4) . . ?
C1' B5' B6' 58.6(4) . . ?
C1' B5' B9' 104.9(5) . . ?
C1' B5' B10' 104.9(5) . . ?
B4' B5' H5' 126(4) . . ?
B4' B5' B6' 106.5(5) . . ?
B4' B5' B9' 60.5(4) . . ?
B4' B5' B10' 107.3(5) . . ?
B6' B5' H5' 115(4) . . ?
B9' B5' H5' 129(4) . . ?
B9' B5' B6' 107.8(5) . . ?
B9' B5' B10' 59.5(4) . . ?
B10' B5' H5' 122(4) . . ?
B10' B5' B6' 60.3(4) . . ?
C1' B6' Ru2' 66.3(3) . . ?
C1' B6' B5' 58.7(4) . . ?
C1' B6' H6' 120(4) . . ?
C1' B6' B10' 104.1(5) . . ?
C1' B6' B11' 105.8(5) . . ?
Ru2' B6' H6' 115(3) . . ?
B5' B6' Ru2' 119.8(5) . . ?
B5' B6' H6' 113(4) . . ?
B5' B6' B11' 106.8(5) . . ?
B10' B6' Ru2' 118.5(4) . . ?
B10' B6' B5' 59.1(4) . . ?
B10' B6' H6' 121(4) . . ?
B10' B6' B11' 58.7(4) . . ?
B11' B6' Ru2' 66.2(3) . . ?
B11' B6' H6' 130(4) . . ?
Ru2' B7' H7' 118(4) . . ?
B3' B7' Ru2' 64.8(3) . . ?
B3' B7' H7' 123(4) . . ?
C8' B7' Ru2' 114.6(4) . . ?
C8' B7' B3' 57.1(4) . . ?
C8' B7' H7' 117(4) . . ?
C8' B7' B11' 103.7(5) . . ?
B11' B7' Ru2' 66.6(3) . . ?
B11' B7' B3' 107.1(5) . . ?
B11' B7' H7' 127(4) . . ?
B12' B7' Ru2' 118.8(4) . . ?
B12' B7' B3' 106.4(5) . . ?
B12' B7' H7' 116(4) . . ?
B12' B7' C8' 58.8(4) . . ?
B12' B7' B11' 58.9(4) . . ?
C1 C8' B3' 119.4(5) . . ?
C1 C8' B4' 119.1(5) . . ?
C1 C8' B7' 119.1(5) . . ?
C1 C8' B9' 117.7(5) . . ?
C1 C8' B12' 118.6(5) . . ?
B3' C8' B7' 62.6(4) . . ?
B3' C8' B12' 112.0(5) . . ?
B4' C8' B3' 62.8(4) . . ?
B4' C8' B7' 113.6(5) . . ?
B4' C8' B9' 62.8(4) . . ?
B4' C8' B12' 112.6(5) . . ?
B9' C8' B3' 114.3(5) . . ?
B9' C8' B7' 112.0(5) . . ?
B9' C8' B12' 61.6(4) . . ?
B12' C8' B7' 60.3(4) . . ?
B4' B9' H9' 124(4) . . ?
B5' B9' B4' 59.7(4) . . ?
B5' B9' H9' 126(4) . . ?
B5' B9' B12' 108.9(5) . . ?
C8' B9' B4' 57.8(4) . . ?
C8' B9' B5' 105.6(5) . . ?
C8' B9' H9' 121(4) . . ?
C8' B9' B10' 106.6(5) . . ?
C8' B9' B12' 60.0(4) . . ?
B10' B9' B4' 107.4(5) . . ?
B10' B9' B5' 60.5(4) . . ?
B10' B9' H9' 122(4) . . ?
B10' B9' B12' 60.4(4) . . ?
B12' B9' B4' 107.3(5) . . ?
B12' B9' H9' 117(4) . . ?
B5' B10' B6' 60.6(4) . . ?
B5' B10' H10' 119(4) . . ?
B5' B10' B12' 108.5(5) . . ?
B6' B10' H10' 120(4) . . ?
B9' B10' B5' 60.0(4) . . ?
B9' B10' B6' 108.4(5) . . ?
B9' B10' H10' 122(4) . . ?
B9' B10' B11' 108.8(5) . . ?
B9' B10' B12' 60.4(4) . . ?
B11' B10' B5' 110.0(5) . . ?
B11' B10' B6' 61.2(4) . . ?
B11' B10' H10' 122(4) . . ?
B11' B10' B12' 59.5(4) . . ?
B12' B10' B6' 108.1(5) . . ?
B12' B10' H10' 124(4) . . ?
Ru2' B11' H11' 115(4) . . ?
B6' B11' Ru2' 64.9(3) . . ?
B6' B11' H11' 125(4) . . ?
B7' B11' Ru2' 64.8(3) . . ?
B7' B11' B6' 107.9(5) . . ?
B7' B11' H11' 121(4) . . ?
B10' B11' Ru2' 118.7(5) . . ?
B10' B11' B6' 60.2(4) . . ?
B10' B11' B7' 108.7(5) . . ?
B10' B11' H11' 118(4) . . ?
B12' B11' Ru2' 118.1(5) . . ?
B12' B11' B6' 108.1(5) . . ?
B12' B11' B7' 59.9(4) . . ?
B12' B11' B10' 60.5(4) . . ?
B12' B11' H11' 116(4) . . ?
B7' B12' B9' 109.9(5) . . ?
B7' B12' B10' 109.2(5) . . ?
B7' B12' H12' 120(4) . . ?
C8' B12' B7' 61.0(4) . . ?
C8' B12' B9' 58.4(4) . . ?
C8' B12' B10' 104.5(5) . . ?
C8' B12' B11' 107.0(5) . . ?
C8' B12' H12' 120(4) . . ?
B9' B12' B10' 59.3(4) . . ?
B9' B12' H12' 119(4) . . ?
B10' B12' H12' 125(4) . . ?
B11' B12' B7' 61.1(4) . . ?
B11' B12' B9' 108.3(5) . . ?
B11' B12' B10' 60.0(4) . . ?
B11' B12' H12' 125(4) . . ?
C21' C20' Ru2' 69.6(3) . . ?
C21' C20' C27' 121.4(6) . . ?
C25' C20' Ru2' 69.8(4) . . ?
C25' C20' C21' 116.7(6) . . ?
C25' C20' C27' 121.9(6) . . ?
C27' C20' Ru2' 131.7(4) . . ?
Ru2' C21' H21' 118.4 . . ?
C20' C21' Ru2' 73.7(3) . . ?
C20' C21' H21' 118.4 . . ?
C22' C21' Ru2' 72.1(4) . . ?
C22' C21' C20' 122.4(6) . . ?
C22' C21' H21' 118.4 . . ?
Ru2' C22' H22' 119.1 . . ?
C21' C22' Ru2' 71.4(4) . . ?
C21' C22' H22' 119.1 . . ?
C21' C22' C23' 120.8(7) . . ?
C23' C22' Ru2' 72.2(4) . . ?
C23' C22' H22' 119.1 . . ?
C22' C23' Ru2' 71.2(4) . . ?
C22' C23' C24' 117.5(6) . . ?
C22' C23' C26' 119.9(8) . . ?
C24' C23' Ru2' 69.8(4) . . ?
C24' C23' C26' 122.6(8) . . ?
C26' C23' Ru2' 128.8(5) . . ?
Ru2' C24' H24' 119.0 . . ?
C23' C24' Ru2' 73.1(4) . . ?
C23' C24' H24' 119.0 . . ?
C25' C24' Ru2' 72.4(4) . . ?
C25' C24' C23' 121.4(7) . . ?
C25' C24' H24' 119.0 . . ?
Ru2' C25' H25' 118.9 . . ?
C20' C25' Ru2' 73.7(4) . . ?
C20' C25' H25' 118.9 . . ?
C24' C25' Ru2' 70.7(4) . . ?
C24' C25' C20' 121.2(7) . . ?
C24' C25' H25' 118.9 . . ?
C23' C26' H26A 109.5 . . ?
C23' C26' H26B 109.5 . . ?
C23' C26' H26C 109.5 . . ?
H26A C26' H26B 109.5 . . ?
H26A C26' H26C 109.5 . . ?
H26B C26' H26C 109.5 . . ?
C20' C27' H27' 113.6 . . ?
C20' C27' H27A 112.9 . . ?
C20' C27' C28' 108.1(6) . . ?
C20' C27' C29' 108.8(7) . . ?
C20' C27' C29C 107.7(8) . . ?
C28' C27' H27' 113.6 . . ?
C28' C27' H27A 112.9 . . ?
C28' C27' C29' 97.9(7) . . ?
C28' C27' C29C 101.6(8) . . ?
C29' C27' H27' 113.6 . . ?
C29C C27' H27A 112.9 . . ?
C27' C28' H28A 109.5 . . ?
C27' C28' H28B 109.5 . . ?
C27' C28' H28C 109.5 . . ?
H28A C28' H28B 109.5 . . ?
H28A C28' H28C 109.5 . . ?
H28B C28' H28C 109.5 . . ?
C27' C29' H29A 109.5 . . ?
C27' C29' H29B 109.5 . . ?
C27' C29' H29C 109.5 . . ?
H29A C29' H29B 109.5 . . ?
H29A C29' H29C 109.5 . . ?
H29B C29' H29C 109.5 . . ?
C27' C29C H29D 109.5 . . ?
C27' C29C H29E 109.5 . . ?
C27' C29C H29F 109.5 . . ?
H29D C29C H29E 109.5 . . ?
H29D C29C H29F 109.5 . . ?
H29E C29C H29F 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 B6 B5 -37.4(5) . . . . ?
C1 C2 B6 B10 -100.3(5) . . . . ?
C1 C2 B6 B11 -140.8(5) . . . . ?
C1 C2 B7 Ru3 -54.7(4) . . . . ?
C1 C2 B7 B8 0.9(7) . . . . ?
C1 C2 B7 B11 103.1(6) . . . . ?
C1 C2 B7 B12 62.7(6) . . . . ?
C1 C2 B11 B6 37.2(5) . . . . ?
C1 C2 B11 B7 -106.3(6) . . . . ?
C1 C2 B11 B10 -3.0(7) . . . . ?
C1 C2 B11 B12 -65.5(6) . . . . ?
C1 B4 B5 B6 36.1(5) . . . . ?
C1 B4 B5 B9 137.3(5) . . . . ?
C1 B4 B5 B10 99.9(5) . . . . ?
C1 B4 B8 Ru3 55.8(4) . . . . ?
C1 B4 B8 B7 2.5(6) . . . . ?
C1 B4 B8 B9 -97.6(5) . . . . ?
C1 B4 B8 B12 -59.0(6) . . . . ?
C1 B4 B9 B5 -37.0(5) . . . . ?
C1 B4 B9 B8 102.7(6) . . . . ?
C1 B4 B9 B10 0.2(7) . . . . ?
C1 B4 B9 B12 63.3(6) . . . . ?
C1 B5 B6 C2 36.1(4) . . . . ?
C1 B5 B6 B10 136.6(5) . . . . ?
C1 B5 B6 B11 98.0(5) . . . . ?
C1 B5 B9 B4 37.4(5) . . . . ?
C1 B5 B9 B8 0.1(7) . . . . ?
C1 B5 B9 B10 -101.2(5) . . . . ?
C1 B5 B9 B12 -64.0(6) . . . . ?
C1 B5 B10 B6 -39.0(5) . . . . ?
C1 B5 B10 B9 99.7(5) . . . . ?
C1 B5 B10 B11 -1.0(6) . . . . ?
C1 B5 B10 B12 62.0(6) . . . . ?
C1 B6 B10 B5 38.1(5) . . . . ?
C1 B6 B10 B9 1.5(7) . . . . ?
C1 B6 B10 B11 -99.0(5) . . . . ?
C1 B6 B10 B12 -62.1(6) . . . . ?
C1 B6 B11 C2 -33.1(5) . . . . ?
C1 B6 B11 B7 -0.2(7) . . . . ?
C1 B6 B11 B10 100.8(5) . . . . ?
C1 B6 B11 B12 63.8(6) . . . . ?
C1 C8' B9' B4' 110.3(6) . . . . ?
C1 C8' B9' B5' 147.6(5) . . . . ?
C1 C8' B9' B10' -149.2(5) . . . . ?
C1 C8' B9' B12' -109.4(6) . . . . ?
C1 C8' B12' B7' -109.0(6) . . . . ?
C1 C8' B12' B9' 107.8(6) . . . . ?
C1 C8' B12' B10' 146.7(5) . . . . ?
C1 C8' B12' B11' -150.7(5) . . . . ?
C2 C1 B4 Ru3 50.8(4) . . . . ?
C2 C1 B4 B5 -101.8(5) . . . . ?
C2 C1 B4 B8 -2.0(6) . . . . ?
C2 C1 B4 B9 -64.5(6) . . . . ?
C2 C1 B5 B4 100.8(5) . . . . ?
C2 C1 B5 B6 -39.5(5) . . . . ?
C2 C1 B5 B9 62.9(6) . . . . ?
C2 C1 B5 B10 -0.8(6) . . . . ?
C2 C1 B6 B5 136.5(5) . . . . ?
C2 C1 B6 B10 97.6(6) . . . . ?
C2 C1 B6 B11 34.5(5) . . . . ?
C2 C1 C8' B3' 28.0(8) . . . . ?
C2 C1 C8' B4' -45.4(8) . . . . ?
C2 C1 C8' B7' 101.0(6) . . . . ?
C2 C1 C8' B9' -118.0(6) . . . . ?
C2 C1 C8' B12' 171.0(5) . . . . ?
C2 B6 B10 B5 96.8(5) . . . . ?
C2 B6 B10 B9 60.3(6) . . . . ?
C2 B6 B10 B11 -40.2(5) . . . . ?
C2 B6 B10 B12 -3.3(7) . . . . ?
C2 B6 B11 B7 32.9(5) . . . . ?
C2 B6 B11 B10 133.9(5) . . . . ?
C2 B6 B11 B12 96.9(5) . . . . ?
C2 B7 B8 Ru3 -56.4(4) . . . . ?
C2 B7 B8 B4 -2.0(6) . . . . ?
C2 B7 B8 B9 59.7(6) . . . . ?
C2 B7 B8 B12 98.0(5) . . . . ?
C2 B7 B11 B6 -33.0(5) . . . . ?
C2 B7 B11 B10 -96.8(6) . . . . ?
C2 B7 B11 B12 -133.2(5) . . . . ?
C2 B7 B12 B8 -99.0(5) . . . . ?
C2 B7 B12 B9 -60.1(6) . . . . ?
C2 B7 B12 B10 3.7(7) . . . . ?
C2 B7 B12 B11 40.1(5) . . . . ?
C2 B11 B12 B7 -40.5(5) . . . . ?
C2 B11 B12 B8 -2.9(7) . . . . ?
C2 B11 B12 B9 60.7(6) . . . . ?
C2 B11 B12 B10 99.2(5) . . . . ?
Ru3 C1 C2 B6 155.7(4) . . . . ?
Ru3 C1 C2 B7 51.5(4) . . . . ?
Ru3 C1 C2 B11 119.1(5) . . . . ?
Ru3 C1 B4 B5 -152.6(4) . . . . ?
Ru3 C1 B4 B8 -52.8(4) . . . . ?
Ru3 C1 B4 B9 -115.3(5) . . . . ?
Ru3 C1 B5 B4 29.2(5) . . . . ?
Ru3 C1 B5 B6 -111.0(5) . . . . ?
Ru3 C1 B5 B9 -8.6(6) . . . . ?
Ru3 C1 B5 B10 -72.4(6) . . . . ?
Ru3 C1 B6 C2 -26.1(4) . . . . ?
Ru3 C1 B6 B5 110.4(5) . . . . ?
Ru3 C1 B6 B10 71.6(6) . . . . ?
Ru3 C1 B6 B11 8.4(7) . . . . ?
Ru3 C1 C8' B3' 104.2(5) . . . . ?
Ru3 C1 C8' B4' 30.8(7) . . . . ?
Ru3 C1 C8' B7' 177.2(4) . . . . ?
Ru3 C1 C8' B9' -41.8(7) . . . . ?
Ru3 C1 C8' B12' -112.8(5) . . . . ?
Ru3 C2 B6 C1 30.1(5) . . . . ?
Ru3 C2 B6 B5 -7.3(7) . . . . ?
Ru3 C2 B6 B10 -70.2(7) . . . . ?
Ru3 C2 B6 B11 -110.7(6) . . . . ?
Ru3 C2 B7 B8 55.6(4) . . . . ?
Ru3 C2 B7 B11 157.8(4) . . . . ?
Ru3 C2 B7 B12 117.5(5) . . . . ?
Ru3 C2 B11 B6 119.3(5) . . . . ?
Ru3 C2 B11 B7 -24.2(5) . . . . ?
Ru3 C2 B11 B10 79.1(6) . . . . ?
Ru3 C2 B11 B12 16.6(7) . . . . ?
Ru3 B4 B5 C1 -30.6(5) . . . . ?
Ru3 B4 B5 B6 5.5(7) . . . . ?
Ru3 B4 B5 B9 106.6(6) . . . . ?
Ru3 B4 B5 B10 69.2(6) . . . . ?
Ru3 B4 B8 B7 -53.3(4) . . . . ?
Ru3 B4 B8 B9 -153.4(4) . . . . ?
Ru3 B4 B8 B12 -114.8(5) . . . . ?
Ru3 B4 B9 B5 -112.1(5) . . . . ?
Ru3 B4 B9 B8 27.5(5) . . . . ?
Ru3 B4 B9 B10 -75.0(6) . . . . ?
Ru3 B4 B9 B12 -11.8(7) . . . . ?
Ru3 B7 B8 B4 54.4(4) . . . . ?
Ru3 B7 B8 B9 116.0(5) . . . . ?
Ru3 B7 B8 B12 154.3(4) . . . . ?
Ru3 B7 B11 C2 24.3(5) . . . . ?
Ru3 B7 B11 B6 -8.7(7) . . . . ?
Ru3 B7 B11 B10 -72.5(6) . . . . ?
Ru3 B7 B11 B12 -108.9(6) . . . . ?
Ru3 B7 B12 B8 -27.3(5) . . . . ?
Ru3 B7 B12 B9 11.5(7) . . . . ?
Ru3 B7 B12 B10 75.4(6) . . . . ?
Ru3 B7 B12 B11 111.7(5) . . . . ?
Ru3 B8 B9 B4 -28.3(5) . . . . ?
Ru3 B8 B9 B5 8.8(7) . . . . ?
Ru3 B8 B9 B10 73.1(6) . . . . ?
Ru3 B8 B9 B12 107.7(6) . . . . ?
Ru3 B8 B12 B7 26.5(5) . . . . ?
Ru3 B8 B12 B9 -110.0(5) . . . . ?
Ru3 B8 B12 B10 -74.9(6) . . . . ?
Ru3 B8 B12 B11 -10.8(7) . . . . ?
Ru3 C30 C31 C32 53.9(5) . . . . ?
Ru3 C30 C35 C34 -56.3(6) . . . . ?
Ru3 C30 C37 C38 73.2(9) . . . . ?
Ru3 C30 C37 C39 -163.9(5) . . . . ?
Ru3 C31 C32 C33 52.1(6) . . . . ?
Ru3 C32 C33 C34 55.2(5) . . . . ?
Ru3 C32 C33 C36 -125.6(7) . . . . ?
Ru3 C33 C34 C35 55.3(6) . . . . ?
Ru3 C34 C35 C30 57.4(6) . . . . ?
B4 C1 C2 Ru3 -50.7(4) . . . . ?
B4 C1 C2 B6 104.9(5) . . . . ?
B4 C1 C2 B7 0.7(7) . . . . ?
B4 C1 C2 B11 68.4(6) . . . . ?
B4 C1 B5 B6 -140.3(5) . . . . ?
B4 C1 B5 B9 -37.9(5) . . . . ?
B4 C1 B5 B10 -101.6(6) . . . . ?
B4 C1 B6 C2 -99.1(5) . . . . ?
B4 C1 B6 B5 37.4(5) . . . . ?
B4 C1 B6 B10 -1.4(7) . . . . ?
B4 C1 B6 B11 -64.6(6) . . . . ?
B4 C1 C8' B3' -178.3(5) . . . . ?
B4 C1 C8' B4' 108.4(7) . . . . ?
B4 C1 C8' B7' -105.2(6) . . . . ?
B4 C1 C8' B9' 35.7(8) . . . . ?
B4 C1 C8' B12' -35.3(8) . . . . ?
B4 B5 B6 C1 -35.4(5) . . . . ?
B4 B5 B6 C2 0.6(7) . . . . ?
B4 B5 B6 B10 101.1(6) . . . . ?
B4 B5 B6 B11 62.6(6) . . . . ?
B4 B5 B9 B8 -37.4(5) . . . . ?
B4 B5 B9 B10 -138.7(6) . . . . ?
B4 B5 B9 B12 -101.4(5) . . . . ?
B4 B5 B10 B6 -101.5(6) . . . . ?
B4 B5 B10 B9 37.2(5) . . . . ?
B4 B5 B10 B11 -63.5(6) . . . . ?
B4 B5 B10 B12 -0.5(7) . . . . ?
B4 B8 B9 B5 37.2(5) . . . . ?
B4 B8 B9 B10 101.4(6) . . . . ?
B4 B8 B9 B12 136.1(5) . . . . ?
B4 B8 B12 B7 98.2(5) . . . . ?
B4 B8 B12 B9 -38.3(5) . . . . ?
B4 B8 B12 B10 -3.3(7) . . . . ?
B4 B8 B12 B11 60.9(6) . . . . ?
B4 B9 B10 B5 -37.6(5) . . . . ?
B4 B9 B10 B6 -1.1(7) . . . . ?
B4 B9 B10 B11 62.0(6) . . . . ?
B4 B9 B10 B12 100.4(6) . . . . ?
B4 B9 B12 B7 0.5(7) . . . . ?
B4 B9 B12 B8 39.9(5) . . . . ?
B4 B9 B12 B10 -101.7(5) . . . . ?
B4 B9 B12 B11 -63.3(6) . . . . ?
B5 C1 C2 Ru3 -116.7(4) . . . . ?
B5 C1 C2 B6 39.0(5) . . . . ?
B5 C1 C2 B7 -65.2(6) . . . . ?
B5 C1 C2 B11 2.4(7) . . . . ?
B5 C1 B4 Ru3 152.6(4) . . . . ?
B5 C1 B4 B8 99.7(5) . . . . ?
B5 C1 B4 B9 37.2(5) . . . . ?
B5 C1 B6 C2 -136.5(5) . . . . ?
B5 C1 B6 B10 -38.8(5) . . . . ?
B5 C1 B6 B11 -102.0(6) . . . . ?
B5 C1 C8' B3' -105.6(6) . . . . ?
B5 C1 C8' B4' -179.0(5) . . . . ?
B5 C1 C8' B7' -32.6(7) . . . . ?
B5 C1 C8' B9' 108.4(6) . . . . ?
B5 C1 C8' B12' 37.4(7) . . . . ?
B5 B4 B8 Ru3 117.7(5) . . . . ?
B5 B4 B8 B7 64.4(6) . . . . ?
B5 B4 B8 B9 -35.7(5) . . . . ?
B5 B4 B8 B12 2.9(7) . . . . ?
B5 B4 B9 B8 139.6(5) . . . . ?
B5 B4 B9 B10 37.2(5) . . . . ?
B5 B4 B9 B12 100.3(6) . . . . ?
B5 B6 B10 B9 -36.6(5) . . . . ?
B5 B6 B10 B11 -137.0(5) . . . . ?
B5 B6 B10 B12 -100.2(6) . . . . ?
B5 B6 B11 C2 -95.1(5) . . . . ?
B5 B6 B11 B7 -62.2(6) . . . . ?
B5 B6 B11 B10 38.8(5) . . . . ?
B5 B6 B11 B12 1.8(6) . . . . ?
B5 B9 B10 B6 36.5(5) . . . . ?
B5 B9 B10 B11 99.6(6) . . . . ?
B5 B9 B10 B12 137.9(5) . . . . ?
B5 B9 B12 B7 64.7(6) . . . . ?
B5 B9 B12 B8 104.1(5) . . . . ?
B5 B9 B12 B10 -37.4(5) . . . . ?
B5 B9 B12 B11 1.0(6) . . . . ?
B5 B10 B11 C2 2.3(6) . . . . ?
B5 B10 B11 B6 -37.8(5) . . . . ?
B5 B10 B11 B7 64.7(6) . . . . ?
B5 B10 B11 B12 101.1(5) . . . . ?
B5 B10 B12 B7 -63.0(7) . . . . ?
B5 B10 B12 B8 2.4(7) . . . . ?
B5 B10 B12 B9 37.3(5) . . . . ?
B5 B10 B12 B11 -99.5(5) . . . . ?
B6 C1 C2 Ru3 -155.7(4) . . . . ?
B6 C1 C2 B7 -104.2(6) . . . . ?
B6 C1 C2 B11 -36.5(5) . . . . ?
B6 C1 B4 Ru3 116.1(4) . . . . ?
B6 C1 B4 B5 -36.5(5) . . . . ?
B6 C1 B4 B8 63.3(6) . . . . ?
B6 C1 B4 B9 0.8(7) . . . . ?
B6 C1 B5 B4 140.3(5) . . . . ?
B6 C1 B5 B9 102.4(6) . . . . ?
B6 C1 B5 B10 38.6(5) . . . . ?
B6 C1 C8' B3' -40.1(7) . . . . ?
B6 C1 C8' B4' -113.5(6) . . . . ?
B6 C1 C8' B7' 33.0(7) . . . . ?
B6 C1 C8' B9' 173.9(5) . . . . ?
B6 C1 C8' B12' 102.9(6) . . . . ?
B6 C2 B7 Ru3 -123.6(5) . . . . ?
B6 C2 B7 B8 -68.0(6) . . . . ?
B6 C2 B7 B11 34.2(5) . . . . ?
B6 C2 B7 B12 -6.1(7) . . . . ?
B6 C2 B11 B7 -143.6(5) . . . . ?
B6 C2 B11 B10 -40.2(5) . . . . ?
B6 C2 B11 B12 -102.7(6) . . . . ?
B6 B5 B9 B4 101.6(6) . . . . ?
B6 B5 B9 B8 64.2(6) . . . . ?
B6 B5 B9 B10 -37.1(5) . . . . ?
B6 B5 B9 B12 0.1(7) . . . . ?
B6 B5 B10 B9 138.7(5) . . . . ?
B6 B5 B10 B11 38.0(5) . . . . ?
B6 B5 B10 B12 101.1(6) . . . . ?
B6 B10 B11 C2 40.1(5) . . . . ?
B6 B10 B11 B7 102.5(5) . . . . ?
B6 B10 B11 B12 138.8(5) . . . . ?
B6 B10 B12 B7 -0.3(7) . . . . ?
B6 B10 B12 B8 65.1(7) . . . . ?
B6 B10 B12 B9 100.0(5) . . . . ?
B6 B10 B12 B11 -36.8(5) . . . . ?
B6 B11 B12 B7 -102.9(5) . . . . ?
B6 B11 B12 B8 -65.3(6) . . . . ?
B6 B11 B12 B9 -1.7(6) . . . . ?
B6 B11 B12 B10 36.8(5) . . . . ?
B7 C2 B6 C1 106.3(6) . . . . ?
B7 C2 B6 B5 68.9(6) . . . . ?
B7 C2 B6 B10 6.0(7) . . . . ?
B7 C2 B6 B11 -34.5(5) . . . . ?
B7 C2 B11 B6 143.6(5) . . . . ?
B7 C2 B11 B10 103.3(5) . . . . ?
B7 C2 B11 B12 40.9(5) . . . . ?
B7 B8 B9 B4 -98.1(5) . . . . ?
B7 B8 B9 B5 -60.9(6) . . . . ?
B7 B8 B9 B10 3.3(7) . . . . ?
B7 B8 B9 B12 38.0(5) . . . . ?
B7 B8 B12 B9 -136.5(5) . . . . ?
B7 B8 B12 B10 -101.4(6) . . . . ?
B7 B8 B12 B11 -37.3(5) . . . . ?
B7 B11 B12 B8 37.6(5) . . . . ?
B7 B11 B12 B9 101.2(5) . . . . ?
B7 B11 B12 B10 139.7(5) . . . . ?
B8 B4 B5 C1 -101.4(6) . . . . ?
B8 B4 B5 B6 -65.3(6) . . . . ?
B8 B4 B5 B9 35.8(5) . . . . ?
B8 B4 B5 B10 -1.6(7) . . . . ?
B8 B4 B9 B5 -139.6(5) . . . . ?
B8 B4 B9 B10 -102.5(6) . . . . ?
B8 B4 B9 B12 -39.3(5) . . . . ?
B8 B7 B11 C2 96.7(5) . . . . ?
B8 B7 B11 B6 63.7(6) . . . . ?
B8 B7 B11 B10 -0.1(7) . . . . ?
B8 B7 B11 B12 -36.5(5) . . . . ?
B8 B7 B12 B9 38.8(5) . . . . ?
B8 B7 B12 B10 102.7(6) . . . . ?
B8 B7 B12 B11 139.0(5) . . . . ?
B8 B9 B10 B5 -103.0(6) . . . . ?
B8 B9 B10 B6 -66.5(6) . . . . ?
B8 B9 B10 B11 -3.4(7) . . . . ?
B8 B9 B10 B12 35.0(5) . . . . ?
B8 B9 B12 B7 -39.4(5) . . . . ?
B8 B9 B12 B10 -141.5(5) . . . . ?
B8 B9 B12 B11 -103.1(5) . . . . ?
B9 B4 B5 C1 -137.3(5) . . . . ?
B9 B4 B5 B6 -101.1(6) . . . . ?
B9 B4 B5 B10 -37.4(5) . . . . ?
B9 B4 B8 Ru3 153.4(4) . . . . ?
B9 B4 B8 B7 100.1(5) . . . . ?
B9 B4 B8 B12 38.6(5) . . . . ?
B9 B5 B6 C1 -99.2(5) . . . . ?
B9 B5 B6 C2 -63.1(6) . . . . ?
B9 B5 B6 B10 37.4(5) . . . . ?
B9 B5 B6 B11 -1.2(7) . . . . ?
B9 B5 B10 B6 -138.7(5) . . . . ?
B9 B5 B10 B11 -100.6(5) . . . . ?
B9 B5 B10 B12 -37.6(5) . . . . ?
B9 B8 B12 B7 136.5(5) . . . . ?
B9 B8 B12 B10 35.0(5) . . . . ?
B9 B8 B12 B11 99.2(6) . . . . ?
B9 B10 B11 C2 -60.2(6) . . . . ?
B9 B10 B11 B6 -100.3(5) . . . . ?
B9 B10 B11 B7 2.2(7) . . . . ?
B9 B10 B11 B12 38.5(5) . . . . ?
B9 B10 B12 B7 -100.3(5) . . . . ?
B9 B10 B12 B8 -34.9(5) . . . . ?
B9 B10 B12 B11 -136.8(5) . . . . ?
B10 B5 B6 C1 -136.6(5) . . . . ?
B10 B5 B6 C2 -100.5(5) . . . . ?
B10 B5 B6 B11 -38.6(5) . . . . ?
B10 B5 B9 B4 138.7(6) . . . . ?
B10 B5 B9 B8 101.3(6) . . . . ?
B10 B5 B9 B12 37.2(5) . . . . ?
B10 B6 B11 C2 -133.9(5) . . . . ?
B10 B6 B11 B7 -100.9(6) . . . . ?
B10 B6 B11 B12 -36.9(5) . . . . ?
B10 B9 B12 B7 102.2(6) . . . . ?
B10 B9 B12 B8 141.5(5) . . . . ?
B10 B9 B12 B11 38.4(5) . . . . ?
B10 B11 B12 B7 -139.7(5) . . . . ?
B10 B11 B12 B8 -102.1(6) . . . . ?
B10 B11 B12 B9 -38.5(5) . . . . ?
B11 C2 B6 C1 140.8(5) . . . . ?
B11 C2 B6 B5 103.4(6) . . . . ?
B11 C2 B6 B10 40.5(5) . . . . ?
B11 C2 B7 Ru3 -157.8(4) . . . . ?
B11 C2 B7 B8 -102.2(5) . . . . ?
B11 C2 B7 B12 -40.3(5) . . . . ?
B11 B6 B10 B5 137.0(5) . . . . ?
B11 B6 B10 B9 100.4(5) . . . . ?
B11 B6 B10 B12 36.8(5) . . . . ?
B11 B7 B8 Ru3 -118.0(5) . . . . ?
B11 B7 B8 B4 -63.5(6) . . . . ?
B11 B7 B8 B9 -1.9(6) . . . . ?
B11 B7 B8 B12 36.4(5) . . . . ?
B11 B7 B12 B8 -139.0(5) . . . . ?
B11 B7 B12 B9 -100.2(6) . . . . ?
B11 B7 B12 B10 -36.3(5) . . . . ?
B11 B10 B12 B7 36.5(5) . . . . ?
B11 B10 B12 B8 101.9(6) . . . . ?
B11 B10 B12 B9 136.8(5) . . . . ?
B12 B7 B8 Ru3 -154.3(4) . . . . ?
B12 B7 B8 B4 -99.9(5) . . . . ?
B12 B7 B8 B9 -38.3(5) . . . . ?
B12 B7 B11 C2 133.2(5) . . . . ?
B12 B7 B11 B6 100.2(6) . . . . ?
B12 B7 B11 B10 36.4(5) . . . . ?
B12 B8 B9 B4 -136.1(5) . . . . ?
B12 B8 B9 B5 -98.9(6) . . . . ?
B12 B8 B9 B10 -34.7(5) . . . . ?
B12 B9 B10 B5 -137.9(5) . . . . ?
B12 B9 B10 B6 -101.4(6) . . . . ?
B12 B9 B10 B11 -38.4(5) . . . . ?
B12 B10 B11 C2 -98.7(5) . . . . ?
B12 B10 B11 B6 -138.8(5) . . . . ?
B12 B10 B11 B7 -36.4(5) . . . . ?
C30 C31 C32 Ru3 -52.8(5) . . . . ?
C30 C31 C32 C33 -0.7(9) . . . . ?
C31 C30 C35 Ru3 57.8(5) . . . . ?
C31 C30 C35 C34 1.4(9) . . . . ?
C31 C30 C37 C38 -23.1(9) . . . . ?
C31 C30 C37 C39 99.8(8) . . . . ?
C31 C32 C33 Ru3 -52.8(6) . . . . ?
C31 C32 C33 C34 2.4(10) . . . . ?
C31 C32 C33 C36 -178.4(6) . . . . ?
C32 C33 C34 Ru3 -57.5(5) . . . . ?
C32 C33 C34 C35 -2.2(10) . . . . ?
C33 C34 C35 Ru3 -57.1(6) . . . . ?
C33 C34 C35 C30 0.3(10) . . . . ?
C35 C30 C31 Ru3 -55.1(5) . . . . ?
C35 C30 C31 C32 -1.2(9) . . . . ?
C35 C30 C37 C38 159.4(6) . . . . ?
C35 C30 C37 C39 -77.7(8) . . . . ?
C36 C33 C34 Ru3 123.3(6) . . . . ?
C36 C33 C34 C35 178.6(6) . . . . ?
C37 C30 C31 Ru3 127.3(6) . . . . ?
C37 C30 C31 C32 -178.8(6) . . . . ?
C37 C30 C35 Ru3 -124.6(6) . . . . ?
C37 C30 C35 C34 179.1(6) . . . . ?
C1' B3' B4' B5' 34.6(5) . . . . ?
C1' B3' B4' C8' 133.0(5) . . . . ?
C1' B3' B4' B9' 98.5(6) . . . . ?
C1' B3' B7' Ru2' 54.4(4) . . . . ?
C1' B3' B7' C8' -94.0(5) . . . . ?
C1' B3' B7' B11' 1.5(6) . . . . ?
C1' B3' B7' B12' -60.3(6) . . . . ?
C1' B3' C8' C1 -148.5(5) . . . . ?
C1' B3' C8' B4' -38.8(4) . . . . ?
C1' B3' C8' B7' 101.8(5) . . . . ?
C1' B3' C8' B9' -1.4(6) . . . . ?
C1' B3' C8' B12' 66.2(6) . . . . ?
C1' B4' B5' B6' 33.7(5) . . . . ?
C1' B4' B5' B9' 135.1(5) . . . . ?
C1' B4' B5' B10' 97.0(5) . . . . ?
C1' B4' C8' C1 151.3(5) . . . . ?
C1' B4' C8' B3' 41.0(5) . . . . ?
C1' B4' C8' B7' 3.1(7) . . . . ?
C1' B4' C8' B9' -100.5(5) . . . . ?
C1' B4' C8' B12' -63.0(6) . . . . ?
C1' B4' B9' B5' -39.7(5) . . . . ?
C1' B4' B9' C8' 97.9(5) . . . . ?
C1' B4' B9' B10' -1.1(6) . . . . ?
C1' B4' B9' B12' 62.4(6) . . . . ?
C1' B5' B6' Ru2' 26.8(4) . . . . ?
C1' B5' B6' B10' 134.1(5) . . . . ?
C1' B5' B6' B11' 98.5(5) . . . . ?
C1' B5' B9' B4' 38.0(5) . . . . ?
C1' B5' B9' C8' 1.6(7) . . . . ?
C1' B5' B9' B10' -98.8(5) . . . . ?
C1' B5' B9' B12' -61.4(6) . . . . ?
C1' B5' B10' B6' -39.4(5) . . . . ?
C1' B5' B10' B9' 98.7(5) . . . . ?
C1' B5' B10' B11' -2.0(7) . . . . ?
C1' B5' B10' B12' 61.4(6) . . . . ?
C1' B6' B10' B5' 39.2(5) . . . . ?
C1' B6' B10' B9' 1.6(6) . . . . ?
C1' B6' B10' B11' -100.1(5) . . . . ?
C1' B6' B10' B12' -62.3(6) . . . . ?
C1' B6' B11' Ru2' -54.4(4) . . . . ?
C1' B6' B11' B7' -4.6(6) . . . . ?
C1' B6' B11' B10' 97.1(5) . . . . ?
C1' B6' B11' B12' 58.8(6) . . . . ?
Ru2' C1' B3' B4' -154.5(4) . . . . ?
Ru2' C1' B3' B7' -53.5(4) . . . . ?
Ru2' C1' B3' C8' -115.5(4) . . . . ?
Ru2' C1' B4' B3' 28.1(5) . . . . ?
Ru2' C1' B4' B5' -114.1(6) . . . . ?
Ru2' C1' B4' C8' -12.7(7) . . . . ?
Ru2' C1' B4' B9' -74.6(6) . . . . ?
Ru2' C1' B5' B4' 113.2(5) . . . . ?
Ru2' C1' B5' B6' -28.2(5) . . . . ?
Ru2' C1' B5' B9' 73.8(6) . . . . ?
Ru2' C1' B5' B10' 12.0(7) . . . . ?
Ru2' C1' B6' B5' 154.7(4) . . . . ?
Ru2' C1' B6' B10' 115.3(4) . . . . ?
Ru2' C1' B6' B11' 54.4(4) . . . . ?
Ru2' B3' B4' C1' -26.8(5) . . . . ?
Ru2' B3' B4' B5' 7.8(7) . . . . ?
Ru2' B3' B4' C8' 106.2(5) . . . . ?
Ru2' B3' B4' B9' 71.8(6) . . . . ?
Ru2' B3' B7' C8' -148.3(4) . . . . ?
Ru2' B3' B7' B11' -52.9(4) . . . . ?
Ru2' B3' B7' B12' -114.7(5) . . . . ?
Ru2' B3' C8' C1 142.2(5) . . . . ?
Ru2' B3' C8' B4' -108.0(5) . . . . ?
Ru2' B3' C8' B7' 32.6(4) . . . . ?
Ru2' B3' C8' B9' -70.7(6) . . . . ?
Ru2' B3' C8' B12' -3.0(6) . . . . ?
Ru2' B6' B10' B5' 109.6(5) . . . . ?
Ru2' B6' B10' B9' 72.0(6) . . . . ?
Ru2' B6' B10' B11' -29.7(5) . . . . ?
Ru2' B6' B10' B12' 8.1(7) . . . . ?
Ru2' B6' B11' B7' 49.8(4) . . . . ?
Ru2' B6' B11' B10' 151.5(5) . . . . ?
Ru2' B6' B11' B12' 113.2(5) . . . . ?
Ru2' B7' C8' C1 -141.7(5) . . . . ?
Ru2' B7' C8' B3' -31.5(4) . . . . ?
Ru2' B7' C8' B4' 6.5(6) . . . . ?
Ru2' B7' C8' B9' 75.4(5) . . . . ?
Ru2' B7' C8' B12' 110.1(5) . . . . ?
Ru2' B7' B11' B6' -49.9(4) . . . . ?
Ru2' B7' B11' B10' -113.6(5) . . . . ?
Ru2' B7' B11' B12' -150.9(4) . . . . ?
Ru2' B7' B12' C8' -102.8(5) . . . . ?
Ru2' B7' B12' B9' -69.9(6) . . . . ?
Ru2' B7' B12' B10' -6.5(7) . . . . ?
Ru2' B7' B12' B11' 30.6(5) . . . . ?
Ru2' B11' B12' B7' -29.9(4) . . . . ?
Ru2' B11' B12' C8' 11.7(6) . . . . ?
Ru2' B11' B12' B9' 73.2(6) . . . . ?
Ru2' B11' B12' B10' 108.9(5) . . . . ?
Ru2' C20' C21' C22' 55.7(5) . . . . ?
Ru2' C20' C25' C24' -54.5(6) . . . . ?
Ru2' C20' C27' C28' 175.6(5) . . . . ?
Ru2' C20' C27' C29' -79.1(9) . . . . ?
Ru2' C20' C27' C29C 66.6(9) . . . . ?
Ru2' C21' C22' C23' 54.8(6) . . . . ?
Ru2' C22' C23' C24' 53.9(5) . . . . ?
Ru2' C22' C23' C26' -124.7(7) . . . . ?
Ru2' C23' C24' C25' 56.2(6) . . . . ?
Ru2' C24' C25' C20' 55.9(6) . . . . ?
B3' C1' B4' B5' -142.2(5) . . . . ?
B3' C1' B4' C8' -40.8(5) . . . . ?
B3' C1' B4' B9' -102.7(5) . . . . ?
B3' C1' B5' B4' 36.7(5) . . . . ?
B3' C1' B5' B6' -104.8(6) . . . . ?
B3' C1' B5' B9' -2.7(7) . . . . ?
B3' C1' B5' B10' -64.6(6) . . . . ?
B3' C1' B6' Ru2' -48.5(4) . . . . ?
B3' C1' B6' B5' 106.2(6) . . . . ?
B3' C1' B6' B10' 66.7(6) . . . . ?
B3' C1' B6' B11' 5.8(6) . . . . ?
B3' B4' B5' C1' -34.5(5) . . . . ?
B3' B4' B5' B6' -0.8(7) . . . . ?
B3' B4' B5' B9' 100.7(6) . . . . ?
B3' B4' B5' B10' 62.5(6) . . . . ?
B3' B4' C8' C1 110.3(6) . . . . ?
B3' B4' C8' B7' -37.9(5) . . . . ?
B3' B4' C8' B9' -141.6(5) . . . . ?
B3' B4' C8' B12' -104.1(5) . . . . ?
B3' B4' B9' B5' -103.0(5) . . . . ?
B3' B4' B9' C8' 34.5(5) . . . . ?
B3' B4' B9' B10' -64.4(6) . . . . ?
B3' B4' B9' B12' -0.9(7) . . . . ?
B3' B7' C8' C1 -110.2(6) . . . . ?
B3' B7' C8' B4' 38.0(5) . . . . ?
B3' B7' C8' B9' 106.9(5) . . . . ?
B3' B7' C8' B12' 141.6(5) . . . . ?
B3' B7' B11' Ru2' 51.8(4) . . . . ?
B3' B7' B11' B6' 1.9(6) . . . . ?
B3' B7' B11' B10' -61.8(6) . . . . ?
B3' B7' B11' B12' -99.1(5) . . . . ?
B3' B7' B12' C8' -33.0(4) . . . . ?
B3' B7' B12' B9' 0.0(7) . . . . ?
B3' B7' B12' B10' 63.3(6) . . . . ?
B3' B7' B12' B11' 100.5(5) . . . . ?
B3' C8' B9' B4' -37.4(5) . . . . ?
B3' C8' B9' B5' -0.1(7) . . . . ?
B3' C8' B9' B10' 63.1(6) . . . . ?
B3' C8' B9' B12' 102.9(5) . . . . ?
B3' C8' B12' B7' 36.5(5) . . . . ?
B3' C8' B12' B9' -106.6(5) . . . . ?
B3' C8' B12' B10' -67.7(6) . . . . ?
B3' C8' B12' B11' -5.2(6) . . . . ?
B4' C1' B3' Ru2' 154.5(4) . . . . ?
B4' C1' B3' B7' 101.0(5) . . . . ?
B4' C1' B3' C8' 39.0(4) . . . . ?
B4' C1' B5' B6' -141.4(5) . . . . ?
B4' C1' B5' B9' -39.4(5) . . . . ?
B4' C1' B5' B10' -101.2(5) . . . . ?
B4' C1' B6' Ru2' -117.8(5) . . . . ?
B4' C1' B6' B5' 37.0(5) . . . . ?
B4' C1' B6' B10' -2.5(7) . . . . ?
B4' C1' B6' B11' -63.4(6) . . . . ?
B4' B3' B7' Ru2' 114.2(4) . . . . ?
B4' B3' B7' C8' -34.2(4) . . . . ?
B4' B3' B7' B11' 61.3(6) . . . . ?
B4' B3' B7' B12' -0.5(6) . . . . ?
B4' B3' C8' C1 -109.7(6) . . . . ?
B4' B3' C8' B7' 140.6(5) . . . . ?
B4' B3' C8' B9' 37.4(5) . . . . ?
B4' B3' C8' B12' 105.0(5) . . . . ?
B4' B5' B6' C1' -33.3(5) . . . . ?
B4' B5' B6' Ru2' -6.5(7) . . . . ?
B4' B5' B6' B10' 100.8(5) . . . . ?
B4' B5' B6' B11' 65.3(6) . . . . ?
B4' B5' B9' C8' -36.4(5) . . . . ?
B4' B5' B9' B10' -136.8(5) . . . . ?
B4' B5' B9' B12' -99.5(5) . . . . ?
B4' B5' B10' B6' -99.5(5) . . . . ?
B4' B5' B10' B9' 38.6(5) . . . . ?
B4' B5' B10' B11' -62.1(6) . . . . ?
B4' B5' B10' B12' 1.3(7) . . . . ?
B4' C8' B9' B5' 37.2(5) . . . . ?
B4' C8' B9' B10' 100.4(5) . . . . ?
B4' C8' B9' B12' 140.3(5) . . . . ?
B4' C8' B12' B7' 105.1(5) . . . . ?
B4' C8' B12' B9' -38.0(5) . . . . ?
B4' C8' B12' B10' 0.9(6) . . . . ?
B4' C8' B12' B11' 63.4(6) . . . . ?
B4' B9' B10' B5' -38.2(5) . . . . ?
B4' B9' B10' B6' -0.4(6) . . . . ?
B4' B9' B10' B11' 64.6(6) . . . . ?
B4' B9' B10' B12' 100.4(5) . . . . ?
B4' B9' B12' B7' 0.5(7) . . . . ?
B4' B9' B12' C8' 34.5(4) . . . . ?
B4' B9' B12' B10' -100.5(5) . . . . ?
B4' B9' B12' B11' -64.6(6) . . . . ?
B5' C1' B3' Ru2' 118.1(5) . . . . ?
B5' C1' B3' B4' -36.4(5) . . . . ?
B5' C1' B3' B7' 64.6(6) . . . . ?
B5' C1' B3' C8' 2.6(7) . . . . ?
B5' C1' B4' B3' 142.2(5) . . . . ?
B5' C1' B4' C8' 101.4(5) . . . . ?
B5' C1' B4' B9' 39.5(5) . . . . ?
B5' C1' B6' Ru2' -154.7(4) . . . . ?
B5' C1' B6' B10' -39.5(5) . . . . ?
B5' C1' B6' B11' -100.4(5) . . . . ?
B5' B4' C8' C1 -145.8(5) . . . . ?
B5' B4' C8' B3' 103.9(5) . . . . ?
B5' B4' C8' B7' 66.0(6) . . . . ?
B5' B4' C8' B9' -37.6(5) . . . . ?
B5' B4' C8' B12' -0.1(6) . . . . ?
B5' B4' B9' C8' 137.6(5) . . . . ?
B5' B4' B9' B10' 38.6(5) . . . . ?
B5' B4' B9' B12' 102.1(6) . . . . ?
B5' B6' B10' B9' -37.6(5) . . . . ?
B5' B6' B10' B11' -139.3(5) . . . . ?
B5' B6' B10' B12' -101.5(6) . . . . ?
B5' B6' B11' Ru2' -115.8(5) . . . . ?
B5' B6' B11' B7' -65.9(6) . . . . ?
B5' B6' B11' B10' 35.8(5) . . . . ?
B5' B6' B11' B12' -2.6(6) . . . . ?
B5' B9' B10' B6' 37.9(5) . . . . ?
B5' B9' B10' B11' 102.8(6) . . . . ?
B5' B9' B10' B12' 138.6(5) . . . . ?
B5' B9' B12' B7' 63.6(7) . . . . ?
B5' B9' B12' C8' 97.6(5) . . . . ?
B5' B9' B12' B10' -37.4(5) . . . . ?
B5' B9' B12' B11' -1.5(7) . . . . ?
B5' B10' B11' Ru2' -7.7(7) . . . . ?
B5' B10' B11' B6' -37.2(5) . . . . ?
B5' B10' B11' B7' 63.2(6) . . . . ?
B5' B10' B11' B12' 100.2(6) . . . . ?
B5' B10' B12' B7' -65.1(6) . . . . ?
B5' B10' B12' C8' -1.3(6) . . . . ?
B5' B10' B12' B9' 37.2(5) . . . . ?
B5' B10' B12' B11' -102.8(6) . . . . ?
B6' C1' B3' Ru2' 48.9(4) . . . . ?
B6' C1' B3' B4' -105.6(6) . . . . ?
B6' C1' B3' B7' -4.6(6) . . . . ?
B6' C1' B3' C8' -66.6(6) . . . . ?
B6' C1' B4' B3' 105.0(6) . . . . ?
B6' C1' B4' B5' -37.2(5) . . . . ?
B6' C1' B4' C8' 64.2(6) . . . . ?
B6' C1' B4' B9' 2.3(7) . . . . ?
B6' C1' B5' B4' 141.4(5) . . . . ?
B6' C1' B5' B9' 102.0(6) . . . . ?
B6' C1' B5' B10' 40.2(5) . . . . ?
B6' B5' B9' B4' 99.3(5) . . . . ?
B6' B5' B9' C8' 62.9(6) . . . . ?
B6' B5' B9' B10' -37.5(5) . . . . ?
B6' B5' B9' B12' -0.1(7) . . . . ?
B6' B5' B10' B9' 138.1(5) . . . . ?
B6' B5' B10' B11' 37.4(5) . . . . ?
B6' B5' B10' B12' 100.8(5) . . . . ?
B6' B10' B11' Ru2' 29.5(5) . . . . ?
B6' B10' B11' B7' 100.4(6) . . . . ?
B6' B10' B11' B12' 137.4(5) . . . . ?
B6' B10' B12' B7' -0.9(7) . . . . ?
B6' B10' B12' C8' 62.9(6) . . . . ?
B6' B10' B12' B9' 101.4(6) . . . . ?
B6' B10' B12' B11' -38.6(5) . . . . ?
B6' B11' B12' B7' -100.6(5) . . . . ?
B6' B11' B12' C8' -59.0(6) . . . . ?
B6' B11' B12' B9' 2.5(7) . . . . ?
B6' B11' B12' B10' 38.2(5) . . . . ?
B7' B3' B4' C1' -97.6(5) . . . . ?
B7' B3' B4' B5' -63.1(6) . . . . ?
B7' B3' B4' C8' 35.3(4) . . . . ?
B7' B3' B4' B9' 0.9(6) . . . . ?
B7' B3' C8' C1 109.7(6) . . . . ?
B7' B3' C8' B4' -140.6(5) . . . . ?
B7' B3' C8' B9' -103.2(5) . . . . ?
B7' B3' C8' B12' -35.6(5) . . . . ?
B7' C8' B9' B4' -106.1(5) . . . . ?
B7' C8' B9' B5' -68.9(6) . . . . ?
B7' C8' B9' B10' -5.7(7) . . . . ?
B7' C8' B9' B12' 34.2(5) . . . . ?
B7' C8' B12' B9' -143.1(5) . . . . ?
B7' C8' B12' B10' -104.2(5) . . . . ?
B7' C8' B12' B11' -41.7(5) . . . . ?
B7' B11' B12' C8' 41.6(5) . . . . ?
B7' B11' B12' B9' 103.1(6) . . . . ?
B7' B11' B12' B10' 138.8(5) . . . . ?
C8' C1 C2 Ru3 107.3(5) . . . . ?
C8' C1 C2 B6 -97.1(6) . . . . ?
C8' C1 C2 B7 158.7(5) . . . . ?
C8' C1 C2 B11 -133.6(6) . . . . ?
C8' C1 B4 Ru3 -106.0(5) . . . . ?
C8' C1 B4 B5 101.4(6) . . . . ?
C8' C1 B4 B8 -158.9(5) . . . . ?
C8' C1 B4 B9 138.6(6) . . . . ?
C8' C1 B5 B4 -119.5(6) . . . . ?
C8' C1 B5 B6 100.2(6) . . . . ?
C8' C1 B5 B9 -157.4(5) . . . . ?
C8' C1 B5 B10 138.9(5) . . . . ?
C8' C1 B6 C2 116.2(6) . . . . ?
C8' C1 B6 B5 -107.3(6) . . . . ?
C8' C1 B6 B10 -146.1(5) . . . . ?
C8' C1 B6 B11 150.7(5) . . . . ?
C8' B3' B4' C1' -133.0(5) . . . . ?
C8' B3' B4' B5' -98.4(6) . . . . ?
C8' B3' B4' B9' -34.4(5) . . . . ?
C8' B3' B7' Ru2' 148.3(4) . . . . ?
C8' B3' B7' B11' 95.4(5) . . . . ?
C8' B3' B7' B12' 33.6(4) . . . . ?
C8' B4' B5' C1' -97.7(5) . . . . ?
C8' B4' B5' B6' -64.0(6) . . . . ?
C8' B4' B5' B9' 37.4(5) . . . . ?
C8' B4' B5' B10' -0.7(7) . . . . ?
C8' B4' B9' B5' -137.6(5) . . . . ?
C8' B4' B9' B10' -99.0(5) . . . . ?
C8' B4' B9' B12' -35.4(5) . . . . ?
C8' B7' B11' Ru2' 111.2(4) . . . . ?
C8' B7' B11' B6' 61.3(6) . . . . ?
C8' B7' B11' B10' -2.5(6) . . . . ?
C8' B7' B11' B12' -39.7(4) . . . . ?
C8' B7' B12' B9' 32.9(5) . . . . ?
C8' B7' B12' B10' 96.3(5) . . . . ?
C8' B7' B12' B11' 133.4(5) . . . . ?
C8' B9' B10' B5' -98.9(5) . . . . ?
C8' B9' B10' B6' -61.0(6) . . . . ?
C8' B9' B10' B11' 3.9(7) . . . . ?
C8' B9' B10' B12' 39.7(5) . . . . ?
C8' B9' B12' B7' -33.9(5) . . . . ?
C8' B9' B12' B10' -135.0(5) . . . . ?
C8' B9' B12' B11' -99.1(5) . . . . ?
B9' B4' B5' C1' -135.1(5) . . . . ?
B9' B4' B5' B6' -101.4(6) . . . . ?
B9' B4' B5' B10' -38.1(5) . . . . ?
B9' B4' C8' C1 -108.2(6) . . . . ?
B9' B4' C8' B3' 141.6(5) . . . . ?
B9' B4' C8' B7' 103.6(5) . . . . ?
B9' B4' C8' B12' 37.5(5) . . . . ?
B9' B5' B6' C1' -96.9(5) . . . . ?
B9' B5' B6' Ru2' -70.1(6) . . . . ?
B9' B5' B6' B10' 37.2(5) . . . . ?
B9' B5' B6' B11' 1.7(7) . . . . ?
B9' B5' B10' B6' -138.1(5) . . . . ?
B9' B5' B10' B11' -100.7(6) . . . . ?
B9' B5' B10' B12' -37.3(5) . . . . ?
B9' C8' B12' B7' 143.1(5) . . . . ?
B9' C8' B12' B10' 38.9(5) . . . . ?
B9' C8' B12' B11' 101.4(5) . . . . ?
B9' B10' B11' Ru2' -71.7(6) . . . . ?
B9' B10' B11' B6' -101.2(6) . . . . ?
B9' B10' B11' B7' -0.8(7) . . . . ?
B9' B10' B11' B12' 36.2(5) . . . . ?
B9' B10' B12' B7' -102.3(6) . . . . ?
B9' B10' B12' C8' -38.4(4) . . . . ?
B9' B10' B12' B11' -139.9(5) . . . . ?
B10' B5' B6' C1' -134.1(5) . . . . ?
B10' B5' B6' Ru2' -107.3(5) . . . . ?
B10' B5' B6' B11' -35.6(5) . . . . ?
B10' B5' B9' B4' 136.8(5) . . . . ?
B10' B5' B9' C8' 100.5(5) . . . . ?
B10' B5' B9' B12' 37.4(5) . . . . ?
B10' B6' B11' Ru2' -151.5(5) . . . . ?
B10' B6' B11' B7' -101.7(6) . . . . ?
B10' B6' B11' B12' -38.3(5) . . . . ?
B10' B9' B12' B7' 101.1(6) . . . . ?
B10' B9' B12' C8' 135.0(5) . . . . ?
B10' B9' B12' B11' 36.0(5) . . . . ?
B10' B11' B12' B7' -138.8(5) . . . . ?
B10' B11' B12' C8' -97.2(5) . . . . ?
B10' B11' B12' B9' -35.6(5) . . . . ?
B11' B6' B10' B5' 139.3(5) . . . . ?
B11' B6' B10' B9' 101.7(5) . . . . ?
B11' B6' B10' B12' 37.8(5) . . . . ?
B11' B7' C8' C1 148.1(5) . . . . ?
B11' B7' C8' B3' -101.8(5) . . . . ?
B11' B7' C8' B4' -63.8(6) . . . . ?
B11' B7' C8' B9' 5.1(6) . . . . ?
B11' B7' C8' B12' 39.8(4) . . . . ?
B11' B7' B12' C8' -133.4(5) . . . . ?
B11' B7' B12' B9' -100.5(6) . . . . ?
B11' B7' B12' B10' -37.2(5) . . . . ?
B11' B10' B12' B7' 37.7(5) . . . . ?
B11' B10' B12' C8' 101.5(5) . . . . ?
B11' B10' B12' B9' 139.9(5) . . . . ?
B12' B7' C8' C1 108.3(6) . . . . ?
B12' B7' C8' B3' -141.6(5) . . . . ?
B12' B7' C8' B4' -103.6(5) . . . . ?
B12' B7' C8' B9' -34.7(5) . . . . ?
B12' B7' B11' Ru2' 150.9(4) . . . . ?
B12' B7' B11' B6' 101.0(5) . . . . ?
B12' B7' B11' B10' 37.3(5) . . . . ?
B12' C8' B9' B4' -140.3(5) . . . . ?
B12' C8' B9' B5' -103.1(6) . . . . ?
B12' C8' B9' B10' -39.9(5) . . . . ?
B12' B9' B10' B5' -138.6(5) . . . . ?
B12' B9' B10' B6' -100.8(5) . . . . ?
B12' B9' B10' B11' -35.8(5) . . . . ?
B12' B10' B11' Ru2' -107.9(5) . . . . ?
B12' B10' B11' B6' -137.4(5) . . . . ?
B12' B10' B11' B7' -37.0(5) . . . . ?
C20' C21' C22' Ru2' -56.4(5) . . . . ?
C20' C21' C22' C23' -1.6(10) . . . . ?
C21' C20' C25' Ru2' 53.1(5) . . . . ?
C21' C20' C25' C24' -1.3(9) . . . . ?
C21' C20' C27' C28' 85.7(8) . . . . ?
C21' C20' C27' C29' -169.0(7) . . . . ?
C21' C20' C27' C29C -23.3(10) . . . . ?
C21' C22' C23' Ru2' -54.4(6) . . . . ?
C21' C22' C23' C24' -0.5(9) . . . . ?
C21' C22' C23' C26' -179.1(6) . . . . ?
C22' C23' C24' Ru2' -54.6(5) . . . . ?
C22' C23' C24' C25' 1.6(10) . . . . ?
C23' C24' C25' Ru2' -56.5(6) . . . . ?
C23' C24' C25' C20' -0.7(10) . . . . ?
C25' C20' C21' Ru2' -53.2(5) . . . . ?
C25' C20' C21' C22' 2.4(9) . . . . ?
C25' C20' C27' C28' -93.8(8) . . . . ?
C25' C20' C27' C29' 11.5(9) . . . . ?
C25' C20' C27' C29C 157.1(8) . . . . ?
C26' C23' C24' Ru2' 123.9(7) . . . . ?
C26' C23' C24' C25' -179.9(7) . . . . ?
C27' C20' C21' Ru2' 127.2(6) . . . . ?
C27' C20' C21' C22' -177.1(6) . . . . ?
C27' C20' C25' Ru2' -127.3(6) . . . . ?
C27' C20' C25' C24' 178.2(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 0.66(3)
2 0.34(3)

####################################################################### 
# 
# 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_229a
_database_code_depnum_ccdc_archive 'CCDC 1516771'
_audit_update_record             
;
2016-12-15 deposited with the CCDC.
2016-12-19 downloaded from the CCDC.
;
_audit_creation_date             2016-12-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C4 H20.52 B18, 2(C10 H16 N)'
_chemical_formula_sum            'C24 H54 B18 N2'
_chemical_formula_weight         565.27
_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'

_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                   8.8436(12)
_cell_length_b                   10.5897(11)
_cell_length_c                   11.103(2)
_cell_angle_alpha                116.225(6)
_cell_angle_beta                 101.483(7)
_cell_angle_gamma                104.113(5)
_cell_volume                     846.5(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3097
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      28.14
_cell_measurement_theta_min      2.54
_shelx_estimated_absorpt_T_max   0.998
_shelx_estimated_absorpt_T_min   0.977
_exptl_absorpt_coefficient_mu    0.055
_exptl_absorpt_correction_T_max  0.9978
_exptl_absorpt_correction_T_min  0.9772
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2009)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.109
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             302
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11069
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.333
_diffrn_reflns_theta_min         2.185
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.968
_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_special_details          
'disorder in positions 8, 11 and 12. occupancy at 8 is .54 B and .36 C ; C11 is modelled at all C, at 0.64 occupancy , attempts to model a B componenet wen to negative occupancy of B , 12 is 0.45 B'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2951
_reflns_number_total             4082
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.292
_refine_diff_density_min         -0.233
_refine_diff_density_rms         0.043
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         4082
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0495
_refine_ls_restrained_S_all      1.026
_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)+(0.0592P)²+0.2382P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1184
_refine_ls_wR_factor_ref         0.1328
_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. Shared sites
{C8, B8}
{C11, B11}
{B12, C12}
3. Uiso/Uaniso restraints and constraints
Uanis(B12) \\sim Ueq, Uanis(C12) \\sim Ueq: with sigma of 0.002 and sigma for
terminal atoms of 0.004
Uanis(C8) = Uanis(B8)
Uanis(C11) = Uanis(B11)
Uanis(B12) = Uanis(C12)
4. Others
 Fixed Sof: H6(0.66) B8(0.15) C8(0.51) H8(0.66) H10A(0.6) B11(0.65) C11(0.29)
 H11(0.94) B12(0.2) H12(0.4) C12(0.2)
5.a Secondary CH2 refined with riding coordinates:
 C103(H10K,H10L)
5.b Aromatic/amide H refined with riding coordinates:
 C105(H105), C106(H106), C107(H107), C108(H108), C109(H109)
5.c Idealised Me refined as rotating group:
 C100(H10B,H10C,H10D), C101(H10E,H10F,H10G), C102(H10H,H10I,H10J)
;
_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
B1 B 0.3425(2) 0.12998(18) 0.41311(17) 0.0205(4) Uani 1 1 d . . . . .
H1 H 0.255(2) 0.0478(18) 0.4271(17) 0.025 Uiso 1 1 d R . . . .
B2 B 0.2936(2) 0.27282(18) 0.39202(17) 0.0190(3) Uani 1 1 d . . . . .
H2 H 0.178(2) 0.2970(17) 0.3984(16) 0.023 Uiso 1 1 d R . . . .
B3 B 0.4506(2) 0.32296(18) 0.55109(17) 0.0198(3) Uani 1 1 d . . . . .
H3 H 0.4364(19) 0.3775(18) 0.6537(17) 0.024 Uiso 1 1 d R . . . .
B4 B 0.5590(2) 0.19620(19) 0.50418(19) 0.0236(4) Uani 1 1 d . . . . .
H4 H 0.613(2) 0.1655(18) 0.5780(17) 0.028 Uiso 1 1 d R . . . .
B5 B 0.4788(2) 0.07855(19) 0.31544(18) 0.0210(3) Uani 1 1 d . . . . .
H5 H 0.474(2) -0.0380(18) 0.2634(17) 0.025 Uiso 1 1 d R . . . .
B6 B 0.3103(2) 0.12346(18) 0.24601(17) 0.0181(3) Uani 1 1 d . . . . .
H6 H 0.201(3) 0.033(3) 0.147(2) 0.022 Uiso 0.66 1 d R . P . .
C7 C 0.48759(17) 0.41656(14) 0.46221(14) 0.0160(3) Uani 1 1 d . . . . .
B8 B 0.6275(3) 0.3724(3) 0.5200(3) 0.0221(5) Uani 0.15 1 d . . P A 2
C8 C 0.6275(3) 0.3724(3) 0.5200(3) 0.0221(5) Uani 0.51 1 d . . P A 1
H8 H 0.710(3) 0.453(3) 0.609(3) 0.026 Uiso 0.66 1 d R . P B 1
H10A H 0.608(4) 0.307(3) 0.318(3) 0.026 Uiso 0.6 1 d R . P C 3
B10 B 0.5065(2) 0.18280(18) 0.22845(18) 0.0208(3) Uani 1 1 d . . . . .
H10 H 0.5209(19) 0.1373(18) 0.1220(17) 0.025 Uiso 1 1 d R . . . .
B9 B 0.6636(2) 0.24033(19) 0.39506(18) 0.0219(4) Uani 1 1 d . . . . .
H9 H 0.790(2) 0.2341(17) 0.3979(17) 0.026 Uiso 1 1 d R . . . .
B11 B 0.3996(2) 0.31126(18) 0.28481(17) 0.0169(3) Uani 0.65 1 d . . P A 1
C11 C 0.3996(2) 0.31126(18) 0.28481(17) 0.0169(3) Uani 0.29 1 d . . P A 2
H11 H 0.349(2) 0.3612(18) 0.2209(17) 0.020 Uiso 0.94 1 d R . P . .
B12 B 0.6067(5) 0.3670(4) 0.3834(4) 0.0145(7) Uani 0.2 1 d . U P A 1
H12 H 0.670(5) 0.439(5) 0.373(4) 0.017 Uiso 0.4 1 d R . P . .
C12 C 0.6067(5) 0.3670(4) 0.3834(4) 0.0145(7) Uani 0.2 1 d . U P A 2
N1 N 0.79419(14) 0.83181(13) 0.16724(12) 0.0180(3) Uani 1 1 d . . . . .
C100 C 0.81719(19) 0.95642(17) 0.13413(16) 0.0238(3) Uani 1 1 d . . . . .
H10B H 0.7402 1.0069 0.1620 0.036 Uiso 1 1 calc GR . . . .
H10C H 0.7944 0.9133 0.0310 0.036 Uiso 1 1 calc GR . . . .
H10D H 0.9321 1.0306 0.1877 0.036 Uiso 1 1 calc GR . . . .
C101 C 0.61828(18) 0.72023(17) 0.08633(16) 0.0242(3) Uani 1 1 d . . . . .
H10E H 0.6011 0.6409 0.1109 0.036 Uiso 1 1 calc GR . . . .
H10F H 0.5961 0.6740 -0.0169 0.036 Uiso 1 1 calc GR . . . .
H10G H 0.5422 0.7727 0.1120 0.036 Uiso 1 1 calc GR . . . .
C102 C 0.8266(2) 0.89932(17) 0.32414(15) 0.0242(3) Uani 1 1 d . . . . .
H10H H 0.7500 0.9509 0.3503 0.036 Uiso 1 1 calc GR . . . .
H10I H 0.9418 0.9728 0.3783 0.036 Uiso 1 1 calc GR . . . .
H10J H 0.8093 0.8186 0.3468 0.036 Uiso 1 1 calc GR . . . .
C103 C 0.91613(18) 0.75631(17) 0.12335(16) 0.0211(3) Uani 1 1 d . . . . .
H10K H 0.9017 0.7269 0.0226 0.025 Uiso 1 1 calc R . . . .
H10L H 1.0310 0.8320 0.1837 0.025 Uiso 1 1 calc R . . . .
C104 C 0.89771(18) 0.61827(16) 0.13583(16) 0.0222(3) Uani 1 1 d . . . . .
C105 C 0.80957(19) 0.47372(18) 0.01565(18) 0.0289(4) Uani 1 1 d . . . . .
H105 H 0.7563 0.4621 -0.0739 0.035 Uiso 1 1 calc R . . . .
C106 C 0.7992(2) 0.34553(18) 0.0263(2) 0.0359(4) Uani 1 1 d . . . . .
H106 H 0.7400 0.2469 -0.0564 0.043 Uiso 1 1 calc R . . . .
C107 C 0.8740(2) 0.3614(2) 0.1552(2) 0.0410(5) Uani 1 1 d . . . . .
H107 H 0.8650 0.2738 0.1621 0.049 Uiso 1 1 calc R . . . .
C108 C 0.9616(3) 0.5030(2) 0.2742(2) 0.0444(5) Uani 1 1 d . . . . .
H108 H 1.0127 0.5135 0.3636 0.053 Uiso 1 1 calc R . . . .
C109 C 0.9760(2) 0.63138(19) 0.26466(18) 0.0326(4) Uani 1 1 d . . . . .
H109 H 1.0401 0.7293 0.3471 0.039 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
B1 H1 1.102(16) . ?
B1 B2 1.767(2) . ?
B1 B3 1.771(2) . ?
B1 B4 1.769(3) . ?
B1 B5 1.802(2) . ?
B1 B6 1.788(2) . ?
B2 H2 1.118(16) . ?
B2 B3 1.779(2) . ?
B2 B6 1.759(2) . ?
B2 C7 1.736(2) . ?
B2 B11 1.774(2) . ?
B2 C11 1.774(2) . ?
B3 H3 1.076(16) . ?
B3 B4 1.789(2) . ?
B3 C7 1.702(2) . ?
B3 B8 1.678(3) . ?
B3 C8 1.678(3) . ?
B4 H4 1.077(16) . ?
B4 B5 1.765(2) . ?
B4 B8 1.731(3) . ?
B4 C8 1.731(3) . ?
B4 B9 1.811(3) . ?
B5 H5 1.093(16) . ?
B5 B6 1.804(2) . ?
B5 B10 1.765(2) . ?
B5 B9 1.763(2) . ?
B6 H6 1.12(2) . ?
B6 B10 1.776(2) . ?
B6 B11 1.762(2) . ?
B6 C11 1.762(2) . ?
C7 C7 1.517(3) 2_666 ?
C7 B8 1.547(3) . ?
C7 C8 1.547(3) . ?
C7 B11 1.660(2) . ?
C7 C11 1.660(2) . ?
C7 B12 1.543(4) . ?
C7 C12 1.543(4) . ?
B8 B9 1.632(3) . ?
B8 C12 1.464(4) . ?
C8 H8 0.95(3) . ?
C8 B9 1.632(3) . ?
C8 B12 1.464(4) . ?
B10 H10A 1.20(3) . ?
B10 H10 1.110(16) . ?
B10 B9 1.814(2) . ?
B10 B11 1.801(2) . ?
B10 C11 1.801(2) . ?
B10 B12 1.770(4) . ?
B10 C12 1.770(4) . ?
B9 H10A 1.42(3) . ?
B9 H9 1.133(16) . ?
B9 B12 1.589(4) . ?
B9 C12 1.589(4) . ?
B11 H11 1.140(16) . ?
B11 B12 1.733(4) . ?
C11 H11 1.140(16) . ?
C11 C12 1.733(4) . ?
B12 H12 0.90(4) . ?
C12 H12 0.90(4) . ?
N1 C100 1.4985(18) . ?
N1 C101 1.4941(18) . ?
N1 C102 1.4928(18) . ?
N1 C103 1.5248(19) . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C100 H10D 0.9800 . ?
C101 H10E 0.9800 . ?
C101 H10F 0.9800 . ?
C101 H10G 0.9800 . ?
C102 H10H 0.9800 . ?
C102 H10I 0.9800 . ?
C102 H10J 0.9800 . ?
C103 H10K 0.9900 . ?
C103 H10L 0.9900 . ?
C103 C104 1.502(2) . ?
C104 C105 1.389(2) . ?
C104 C109 1.388(2) . ?
C105 H105 0.9500 . ?
C105 C106 1.397(2) . ?
C106 H106 0.9500 . ?
C106 C107 1.368(3) . ?
C107 H107 0.9500 . ?
C107 C108 1.367(3) . ?
C108 H108 0.9500 . ?
C108 C109 1.386(2) . ?
C109 H109 0.9500 . ?

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
B2 B1 H1 122.4(8) . . ?
B2 B1 B3 60.39(9) . . ?
B2 B1 B4 109.88(11) . . ?
B2 B1 B5 107.58(11) . . ?
B2 B1 B6 59.32(9) . . ?
B3 B1 H1 122.1(8) . . ?
B3 B1 B5 106.54(12) . . ?
B3 B1 B6 107.19(11) . . ?
B4 B1 H1 119.3(8) . . ?
B4 B1 B3 60.72(10) . . ?
B4 B1 B5 59.26(10) . . ?
B4 B1 B6 108.79(12) . . ?
B5 B1 H1 122.0(8) . . ?
B6 B1 H1 122.8(8) . . ?
B6 B1 B5 60.35(9) . . ?
B1 B2 H2 125.6(8) . . ?
B1 B2 B3 59.91(9) . . ?
B1 B2 B11 107.94(12) . . ?
B1 B2 C11 107.94(12) . . ?
B3 B2 H2 119.7(8) . . ?
B6 B2 B1 60.93(9) . . ?
B6 B2 H2 126.5(8) . . ?
B6 B2 B3 108.08(12) . . ?
B6 B2 B11 59.83(9) . . ?
B6 B2 C11 59.83(9) . . ?
C7 B2 B1 103.01(11) . . ?
C7 B2 H2 122.2(8) . . ?
C7 B2 B3 57.93(8) . . ?
C7 B2 B6 102.20(11) . . ?
C7 B2 B11 56.42(9) . . ?
C7 B2 C11 56.42(9) . . ?
B11 B2 H2 121.2(8) . . ?
B11 B2 B3 106.24(12) . . ?
C11 B2 H2 121.2(8) . . ?
C11 B2 B3 106.24(12) . . ?
B1 B3 B2 59.70(9) . . ?
B1 B3 H3 126.6(8) . . ?
B1 B3 B4 59.59(10) . . ?
B2 B3 H3 120.7(8) . . ?
B2 B3 B4 108.42(12) . . ?
B4 B3 H3 124.4(8) . . ?
C7 B3 B1 104.23(11) . . ?
C7 B3 B2 59.77(9) . . ?
C7 B3 H3 121.4(8) . . ?
C7 B3 B4 104.51(12) . . ?
B8 B3 B1 103.27(14) . . ?
B8 B3 B2 103.14(13) . . ?
B8 B3 H3 124.8(9) . . ?
B8 B3 B4 59.80(11) . . ?
B8 B3 C7 54.46(10) . . ?
C8 B3 B1 103.27(14) . . ?
C8 B3 B2 103.14(13) . . ?
C8 B3 H3 124.8(9) . . ?
C8 B3 B4 59.80(11) . . ?
C8 B3 C7 54.46(10) . . ?
B1 B4 B3 59.69(10) . . ?
B1 B4 H4 124.1(9) . . ?
B1 B4 B9 107.08(12) . . ?
B3 B4 H4 121.4(9) . . ?
B3 B4 B9 104.31(11) . . ?
B5 B4 B1 61.30(10) . . ?
B5 B4 B3 107.32(12) . . ?
B5 B4 H4 125.2(9) . . ?
B5 B4 B9 59.06(9) . . ?
B8 B4 B1 101.20(13) . . ?
B8 B4 B3 56.91(11) . . ?
B8 B4 H4 126.5(9) . . ?
B8 B4 B5 99.68(13) . . ?
B8 B4 B9 54.82(11) . . ?
C8 B4 B1 101.20(13) . . ?
C8 B4 B3 56.91(11) . . ?
C8 B4 H4 126.5(9) . . ?
C8 B4 B5 99.68(13) . . ?
C8 B4 B9 54.82(11) . . ?
B9 B4 H4 123.0(9) . . ?
B1 B5 H5 120.8(8) . . ?
B1 B5 B6 59.44(9) . . ?
B4 B5 B1 59.44(10) . . ?
B4 B5 H5 121.0(8) . . ?
B4 B5 B6 108.19(12) . . ?
B6 B5 H5 120.5(8) . . ?
B10 B5 B1 108.90(11) . . ?
B10 B5 B4 112.58(12) . . ?
B10 B5 H5 119.6(8) . . ?
B10 B5 B6 59.67(9) . . ?
B9 B5 B1 107.72(12) . . ?
B9 B5 B4 61.75(10) . . ?
B9 B5 H5 123.6(8) . . ?
B9 B5 B6 107.54(11) . . ?
B9 B5 B10 61.89(10) . . ?
B1 B6 B5 60.21(9) . . ?
B1 B6 H6 121.9(12) . . ?
B2 B6 B1 59.75(9) . . ?
B2 B6 B5 107.81(11) . . ?
B2 B6 H6 123.4(12) . . ?
B2 B6 B10 110.70(11) . . ?
B2 B6 B11 60.52(9) . . ?
B2 B6 C11 60.52(9) . . ?
B5 B6 H6 120.4(12) . . ?
B10 B6 B1 109.05(12) . . ?
B10 B6 B5 59.08(9) . . ?
B10 B6 H6 118.4(12) . . ?
B11 B6 B1 107.55(11) . . ?
B11 B6 B5 106.50(11) . . ?
B11 B6 H6 123.4(12) . . ?
B11 B6 B10 61.20(9) . . ?
C11 B6 B1 107.55(11) . . ?
C11 B6 B5 106.50(11) . . ?
C11 B6 H6 123.4(12) . . ?
C11 B6 B10 61.20(9) . . ?
B3 C7 B2 62.30(9) . . ?
C7 C7 B2 122.27(14) 2_666 . ?
C7 C7 B3 117.50(14) 2_666 . ?
C7 C7 B8 117.58(16) 2_666 . ?
C7 C7 C8 117.58(16) 2_666 . ?
C7 C7 B11 119.29(14) 2_666 . ?
C7 C7 C11 119.29(14) 2_666 . ?
C7 C7 B12 118.49(19) 2_666 . ?
C7 C7 C12 118.49(19) 2_666 . ?
B8 C7 B2 111.07(13) . . ?
B8 C7 B3 61.96(12) . . ?
B8 C7 C11 112.05(13) . . ?
C8 C7 B2 111.07(13) . . ?
C8 C7 B3 61.96(12) . . ?
C8 C7 B11 112.05(13) . . ?
B11 C7 B2 62.97(9) . . ?
B11 C7 B3 115.43(11) . . ?
C11 C7 B2 62.97(9) . . ?
C11 C7 B3 115.43(11) . . ?
B12 C7 B2 113.29(17) . . ?
B12 C7 B3 109.85(17) . . ?
B12 C7 C8 56.57(17) . . ?
B12 C7 B11 65.41(16) . . ?
C12 C7 B2 113.29(17) . . ?
C12 C7 B3 109.85(17) . . ?
C12 C7 B8 56.57(17) . . ?
C12 C7 C11 65.41(16) . . ?
B3 B8 B4 63.29(12) . . ?
C7 B8 B3 63.58(12) . . ?
C7 B8 B4 114.67(16) . . ?
C7 B8 B9 114.03(17) . . ?
B9 B8 B3 118.36(16) . . ?
B9 B8 B4 65.08(12) . . ?
C12 B8 B3 115.4(2) . . ?
C12 B8 B4 114.5(2) . . ?
C12 B8 C7 61.57(18) . . ?
C12 B8 B9 61.48(18) . . ?
B3 C8 B4 63.29(12) . . ?
B3 C8 H8 107.3(15) . . ?
B4 C8 H8 115.9(15) . . ?
C7 C8 B3 63.58(12) . . ?
C7 C8 B4 114.67(16) . . ?
C7 C8 H8 114.0(15) . . ?
C7 C8 B9 114.03(17) . . ?
B9 C8 B3 118.36(16) . . ?
B9 C8 B4 65.08(12) . . ?
B9 C8 H8 124.2(15) . . ?
B12 C8 B3 115.4(2) . . ?
B12 C8 B4 114.5(2) . . ?
B12 C8 C7 61.57(18) . . ?
B12 C8 H8 124.3(15) . . ?
B12 C8 B9 61.48(18) . . ?
B5 B10 B6 61.25(9) . . ?
B5 B10 H10A 106.1(13) . . ?
B5 B10 H10 123.7(8) . . ?
B5 B10 B9 58.99(9) . . ?
B5 B10 B11 106.50(12) . . ?
B5 B10 C11 106.50(12) . . ?
B5 B10 B12 97.95(16) . . ?
B5 B10 C12 97.95(16) . . ?
B6 B10 H10A 118.5(14) . . ?
B6 B10 H10 121.6(8) . . ?
B6 B10 B9 106.53(11) . . ?
B6 B10 B11 59.02(9) . . ?
B6 B10 C11 59.02(9) . . ?
H10A B10 H10 114.5(16) . . ?
B9 B10 H10A 51.2(13) . . ?
B9 B10 H10 125.4(8) . . ?
B11 B10 H10 122.1(8) . . ?
B11 B10 B9 103.33(11) . . ?
C11 B10 H10 122.1(8) . . ?
C11 B10 B9 103.33(11) . . ?
B12 B10 B6 100.94(16) . . ?
B12 B10 H10 130.2(8) . . ?
B12 B10 B9 52.61(14) . . ?
B12 B10 B11 58.05(14) . . ?
C12 B10 B6 100.94(16) . . ?
C12 B10 H10 130.2(8) . . ?
C12 B10 B9 52.61(14) . . ?
C12 B10 C11 58.05(14) . . ?
B4 B9 H10A 122.9(12) . . ?
B4 B9 B10 108.23(12) . . ?
B4 B9 H9 121.7(8) . . ?
B5 B9 B4 59.19(10) . . ?
B5 B9 H10A 97.0(12) . . ?
B5 B9 B10 59.11(9) . . ?
B5 B9 H9 123.4(8) . . ?
B8 B9 B4 60.10(12) . . ?
B8 B9 B5 103.77(14) . . ?
B8 B9 B10 104.97(13) . . ?
B8 B9 H9 125.8(8) . . ?
C8 B9 B4 60.10(12) . . ?
C8 B9 B5 103.77(14) . . ?
C8 B9 B10 104.97(13) . . ?
C8 B9 H9 125.8(8) . . ?
H10A B9 H9 114.7(14) . . ?
B10 B9 H10A 41.3(12) . . ?
B10 B9 H9 120.9(8) . . ?
B12 B9 B4 104.46(18) . . ?
B12 B9 B5 105.32(17) . . ?
B12 B9 C8 54.05(16) . . ?
B12 B9 B10 62.27(16) . . ?
B12 B9 H9 124.6(8) . . ?
C12 B9 B4 104.46(18) . . ?
C12 B9 B5 105.32(17) . . ?
C12 B9 B8 54.05(16) . . ?
C12 B9 B10 62.27(16) . . ?
C12 B9 H9 124.6(8) . . ?
B2 B11 B10 108.83(11) . . ?
B2 B11 H11 119.6(8) . . ?
B6 B11 B2 59.65(9) . . ?
B6 B11 B10 59.78(9) . . ?
B6 B11 H11 126.0(8) . . ?
C7 B11 B2 60.62(9) . . ?
C7 B11 B6 105.24(11) . . ?
C7 B11 B10 105.41(11) . . ?
C7 B11 H11 120.5(8) . . ?
C7 B11 B12 54.05(14) . . ?
B10 B11 H11 124.6(8) . . ?
B12 B11 B2 102.76(16) . . ?
B12 B11 B6 102.99(16) . . ?
B12 B11 B10 60.08(14) . . ?
B12 B11 H11 126.2(8) . . ?
B2 C11 B10 108.83(11) . . ?
B2 C11 H11 119.6(8) . . ?
B6 C11 B2 59.65(9) . . ?
B6 C11 B10 59.78(9) . . ?
B6 C11 H11 126.0(8) . . ?
C7 C11 B2 60.62(9) . . ?
C7 C11 B6 105.24(11) . . ?
C7 C11 B10 105.41(11) . . ?
C7 C11 H11 120.5(8) . . ?
C7 C11 C12 54.05(14) . . ?
B10 C11 H11 124.6(8) . . ?
C12 C11 B2 102.76(16) . . ?
C12 C11 B6 102.99(16) . . ?
C12 C11 B10 60.08(14) . . ?
C12 C11 H11 126.2(8) . . ?
C7 B12 B10 112.3(2) . . ?
C7 B12 B9 116.7(2) . . ?
C7 B12 B11 60.54(15) . . ?
C7 B12 H12 113(2) . . ?
C8 B12 C7 61.86(18) . . ?
C8 B12 B10 115.2(2) . . ?
C8 B12 B9 64.46(19) . . ?
C8 B12 B11 112.3(2) . . ?
C8 B12 H12 124(2) . . ?
B10 B12 H12 117(2) . . ?
B9 B12 B10 65.12(16) . . ?
B9 B12 B11 117.2(2) . . ?
B9 B12 H12 123(2) . . ?
B11 B12 B10 61.87(15) . . ?
B11 B12 H12 109(2) . . ?
C7 C12 B10 112.3(2) . . ?
C7 C12 B9 116.7(2) . . ?
C7 C12 C11 60.54(15) . . ?
C7 C12 H12 113(2) . . ?
B8 C12 C7 61.86(18) . . ?
B8 C12 B10 115.2(2) . . ?
B8 C12 B9 64.46(19) . . ?
B8 C12 C11 112.3(2) . . ?
B8 C12 H12 124(2) . . ?
B10 C12 H12 117(2) . . ?
B9 C12 B10 65.12(16) . . ?
B9 C12 C11 117.2(2) . . ?
B9 C12 H12 123(2) . . ?
C11 C12 B10 61.87(15) . . ?
C11 C12 H12 109(2) . . ?
C100 N1 C103 108.13(11) . . ?
C101 N1 C100 109.08(11) . . ?
C101 N1 C103 111.03(11) . . ?
C102 N1 C100 108.66(11) . . ?
C102 N1 C101 108.77(11) . . ?
C102 N1 C103 111.12(11) . . ?
N1 C100 H10B 109.5 . . ?
N1 C100 H10C 109.5 . . ?
N1 C100 H10D 109.5 . . ?
H10B C100 H10C 109.5 . . ?
H10B C100 H10D 109.5 . . ?
H10C C100 H10D 109.5 . . ?
N1 C101 H10E 109.5 . . ?
N1 C101 H10F 109.5 . . ?
N1 C101 H10G 109.5 . . ?
H10E C101 H10F 109.5 . . ?
H10E C101 H10G 109.5 . . ?
H10F C101 H10G 109.5 . . ?
N1 C102 H10H 109.5 . . ?
N1 C102 H10I 109.5 . . ?
N1 C102 H10J 109.5 . . ?
H10H C102 H10I 109.5 . . ?
H10H C102 H10J 109.5 . . ?
H10I C102 H10J 109.5 . . ?
N1 C103 H10K 108.5 . . ?
N1 C103 H10L 108.5 . . ?
H10K C103 H10L 107.5 . . ?
C104 C103 N1 114.98(12) . . ?
C104 C103 H10K 108.5 . . ?
C104 C103 H10L 108.5 . . ?
C105 C104 C103 120.25(14) . . ?
C109 C104 C103 121.12(14) . . ?
C109 C104 C105 118.51(14) . . ?
C104 C105 H105 120.0 . . ?
C104 C105 C106 120.10(16) . . ?
C106 C105 H105 120.0 . . ?
C105 C106 H106 119.9 . . ?
C107 C106 C105 120.28(16) . . ?
C107 C106 H106 119.9 . . ?
C106 C107 H107 119.9 . . ?
C108 C107 C106 120.18(16) . . ?
C108 C107 H107 119.9 . . ?
C107 C108 H108 119.9 . . ?
C107 C108 C109 120.21(18) . . ?
C109 C108 H108 119.9 . . ?
C104 C109 H109 119.7 . . ?
C108 C109 C104 120.68(16) . . ?
C108 C109 H109 119.7 . . ?

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
B1 B2 B3 B4 35.66(11) . . . . ?
B1 B2 B3 C7 132.07(12) . . . . ?
B1 B2 B3 B8 97.85(14) . . . . ?
B1 B2 B3 C8 97.85(14) . . . . ?
B1 B2 B6 B5 -37.68(11) . . . . ?
B1 B2 B6 B10 -100.58(12) . . . . ?
B1 B2 B6 B11 -136.95(12) . . . . ?
B1 B2 B6 C11 -136.95(12) . . . . ?
B1 B2 C7 B3 -41.24(11) . . . . ?
B1 B2 C7 C7 -147.83(15) . . . 2_666 ?
B1 B2 C7 B8 -1.71(16) . . . . ?
B1 B2 C7 C8 -1.71(16) . . . . ?
B1 B2 C7 B11 103.07(12) . . . . ?
B1 B2 C7 C11 103.07(12) . . . . ?
B1 B2 C7 B12 59.81(19) . . . . ?
B1 B2 C7 C12 59.81(19) . . . . ?
B1 B2 B11 B6 38.84(11) . . . . ?
B1 B2 B11 C7 -93.96(12) . . . . ?
B1 B2 B11 B10 3.53(15) . . . . ?
B1 B2 B11 B12 -58.88(18) . . . . ?
B1 B2 C11 B6 38.84(11) . . . . ?
B1 B2 C11 C7 -93.96(12) . . . . ?
B1 B2 C11 B10 3.53(15) . . . . ?
B1 B2 C11 C12 -58.88(18) . . . . ?
B1 B3 B4 B5 40.09(11) . . . . ?
B1 B3 B4 B8 130.50(14) . . . . ?
B1 B3 B4 C8 130.50(14) . . . . ?
B1 B3 B4 B9 101.65(12) . . . . ?
B1 B3 C7 B2 41.39(11) . . . . ?
B1 B3 C7 C7 155.38(15) . . . 2_666 ?
B1 B3 C7 B8 -96.31(15) . . . . ?
B1 B3 C7 C8 -96.31(15) . . . . ?
B1 B3 C7 B11 6.27(16) . . . . ?
B1 B3 C7 C11 6.27(16) . . . . ?
B1 B3 C7 B12 -65.17(19) . . . . ?
B1 B3 C7 C12 -65.17(19) . . . . ?
B1 B3 B8 B4 -42.36(11) . . . . ?
B1 B3 B8 C7 98.16(12) . . . . ?
B1 B3 B8 B9 -6.2(2) . . . . ?
B1 B3 B8 C12 63.6(2) . . . . ?
B1 B3 C8 B4 -42.36(11) . . . . ?
B1 B3 C8 C7 98.16(12) . . . . ?
B1 B3 C8 B9 -6.2(2) . . . . ?
B1 B3 C8 B12 63.6(2) . . . . ?
B1 B4 B5 B6 35.35(11) . . . . ?
B1 B4 B5 B10 99.32(13) . . . . ?
B1 B4 B5 B9 135.93(12) . . . . ?
B1 B4 B8 B3 42.01(12) . . . . ?
B1 B4 B8 C7 3.2(2) . . . . ?
B1 B4 B8 B9 -103.10(13) . . . . ?
B1 B4 B8 C12 -65.3(2) . . . . ?
B1 B4 C8 B3 42.01(12) . . . . ?
B1 B4 C8 C7 3.2(2) . . . . ?
B1 B4 C8 B9 -103.10(13) . . . . ?
B1 B4 C8 B12 -65.3(2) . . . . ?
B1 B4 B9 B5 -39.66(11) . . . . ?
B1 B4 B9 B8 91.83(14) . . . . ?
B1 B4 B9 C8 91.83(14) . . . . ?
B1 B4 B9 B10 -5.31(15) . . . . ?
B1 B4 B9 B12 59.78(19) . . . . ?
B1 B4 B9 C12 59.78(19) . . . . ?
B1 B5 B6 B2 37.47(11) . . . . ?
B1 B5 B6 B10 141.38(12) . . . . ?
B1 B5 B6 B11 101.12(12) . . . . ?
B1 B5 B6 C11 101.12(12) . . . . ?
B1 B5 B10 B6 -34.62(11) . . . . ?
B1 B5 B10 B9 100.48(13) . . . . ?
B1 B5 B10 B11 4.60(15) . . . . ?
B1 B5 B10 C11 4.60(15) . . . . ?
B1 B5 B10 B12 63.54(17) . . . . ?
B1 B5 B10 C12 63.54(17) . . . . ?
B1 B5 B9 B4 38.96(11) . . . . ?
B1 B5 B9 B8 -3.00(16) . . . . ?
B1 B5 B9 C8 -3.00(16) . . . . ?
B1 B5 B9 B10 -102.41(12) . . . . ?
B1 B5 B9 B12 -58.97(19) . . . . ?
B1 B5 B9 C12 -58.97(19) . . . . ?
B1 B6 B10 B5 34.97(11) . . . . ?
B1 B6 B10 B9 -4.17(15) . . . . ?
B1 B6 B10 B11 -100.03(12) . . . . ?
B1 B6 B10 C11 -100.03(12) . . . . ?
B1 B6 B10 B12 -58.17(17) . . . . ?
B1 B6 B10 C12 -58.17(17) . . . . ?
B1 B6 B11 B2 -38.20(11) . . . . ?
B1 B6 B11 C7 3.31(15) . . . . ?
B1 B6 B11 B10 102.52(12) . . . . ?
B1 B6 B11 B12 59.14(18) . . . . ?
B1 B6 C11 B2 -38.20(11) . . . . ?
B1 B6 C11 C7 3.31(15) . . . . ?
B1 B6 C11 B10 102.52(12) . . . . ?
B1 B6 C11 C12 59.14(18) . . . . ?
B2 B1 B3 B4 -140.10(12) . . . . ?
B2 B1 B3 C7 -41.43(11) . . . . ?
B2 B1 B3 B8 -97.63(13) . . . . ?
B2 B1 B3 C8 -97.63(13) . . . . ?
B2 B1 B4 B3 36.37(11) . . . . ?
B2 B1 B4 B5 -99.13(12) . . . . ?
B2 B1 B4 B8 -4.13(16) . . . . ?
B2 B1 B4 C8 -4.13(16) . . . . ?
B2 B1 B4 B9 -60.52(15) . . . . ?
B2 B1 B5 B4 103.10(12) . . . . ?
B2 B1 B5 B6 -37.23(11) . . . . ?
B2 B1 B5 B10 -2.52(15) . . . . ?
B2 B1 B5 B9 63.07(14) . . . . ?
B2 B1 B6 B5 137.89(12) . . . . ?
B2 B1 B6 B10 103.38(12) . . . . ?
B2 B1 B6 B11 38.55(11) . . . . ?
B2 B1 B6 C11 38.55(11) . . . . ?
B2 B3 B4 B1 -35.71(11) . . . . ?
B2 B3 B4 B5 4.38(15) . . . . ?
B2 B3 B4 B8 94.79(14) . . . . ?
B2 B3 B4 C8 94.79(14) . . . . ?
B2 B3 B4 B9 65.94(14) . . . . ?
B2 B3 C7 C7 113.99(17) . . . 2_666 ?
B2 B3 C7 B8 -137.70(14) . . . . ?
B2 B3 C7 C8 -137.70(14) . . . . ?
B2 B3 C7 B11 -35.12(12) . . . . ?
B2 B3 C7 C11 -35.12(12) . . . . ?
B2 B3 C7 B12 -106.57(18) . . . . ?
B2 B3 C7 C12 -106.57(18) . . . . ?
B2 B3 B8 B4 -103.86(12) . . . . ?
B2 B3 B8 C7 36.66(12) . . . . ?
B2 B3 B8 B9 -67.73(18) . . . . ?
B2 B3 B8 C12 2.1(3) . . . . ?
B2 B3 C8 B4 -103.86(12) . . . . ?
B2 B3 C8 C7 36.66(12) . . . . ?
B2 B3 C8 B9 -67.73(18) . . . . ?
B2 B3 C8 B12 2.1(3) . . . . ?
B2 B6 B10 B5 98.91(12) . . . . ?
B2 B6 B10 B9 59.77(14) . . . . ?
B2 B6 B10 B11 -36.10(11) . . . . ?
B2 B6 B10 C11 -36.10(11) . . . . ?
B2 B6 B10 B12 5.77(18) . . . . ?
B2 B6 B10 C12 5.77(18) . . . . ?
B2 B6 B11 C7 41.51(11) . . . . ?
B2 B6 B11 B10 140.72(12) . . . . ?
B2 B6 B11 B12 97.34(16) . . . . ?
B2 B6 C11 C7 41.51(11) . . . . ?
B2 B6 C11 B10 140.72(12) . . . . ?
B2 B6 C11 C12 97.34(16) . . . . ?
B2 C7 B8 B3 -39.69(13) . . . . ?
B2 C7 B8 B4 -1.0(2) . . . . ?
B2 C7 B8 B9 71.37(19) . . . . ?
B2 C7 B8 C12 104.7(2) . . . . ?
B2 C7 C8 B3 -39.69(13) . . . . ?
B2 C7 C8 B4 -1.0(2) . . . . ?
B2 C7 C8 B9 71.37(19) . . . . ?
B2 C7 C8 B12 104.7(2) . . . . ?
B2 C7 B11 B6 -41.02(11) . . . . ?
B2 C7 B11 B10 -103.24(12) . . . . ?
B2 C7 B11 B12 -136.19(18) . . . . ?
B2 C7 C11 B6 -41.02(11) . . . . ?
B2 C7 C11 B10 -103.24(12) . . . . ?
B2 C7 C11 C12 -136.19(18) . . . . ?
B2 C7 B12 C8 -100.66(17) . . . . ?
B2 C7 B12 B10 7.0(3) . . . . ?
B2 C7 B12 B9 -65.4(3) . . . . ?
B2 C7 B12 B11 42.17(15) . . . . ?
B2 C7 C12 B8 -100.66(17) . . . . ?
B2 C7 C12 B10 7.0(3) . . . . ?
B2 C7 C12 B9 -65.4(3) . . . . ?
B2 C7 C12 C11 42.17(15) . . . . ?
B2 B11 B12 C7 -38.21(14) . . . . ?
B2 B11 B12 C8 -3.0(3) . . . . ?
B2 B11 B12 B10 104.57(13) . . . . ?
B2 B11 B12 B9 68.7(3) . . . . ?
B2 C11 C12 C7 -38.21(14) . . . . ?
B2 C11 C12 B8 -3.0(3) . . . . ?
B2 C11 C12 B10 104.57(13) . . . . ?
B2 C11 C12 B9 68.7(3) . . . . ?
B3 B1 B2 B6 137.09(12) . . . . ?
B3 B1 B2 C7 40.21(10) . . . . ?
B3 B1 B2 B11 98.75(12) . . . . ?
B3 B1 B2 C11 98.75(12) . . . . ?
B3 B1 B4 B5 -135.50(12) . . . . ?
B3 B1 B4 B8 -40.50(12) . . . . ?
B3 B1 B4 C8 -40.50(12) . . . . ?
B3 B1 B4 B9 -96.89(12) . . . . ?
B3 B1 B5 B4 39.62(11) . . . . ?
B3 B1 B5 B6 -100.70(12) . . . . ?
B3 B1 B5 B10 -65.99(14) . . . . ?
B3 B1 B5 B9 -0.40(14) . . . . ?
B3 B1 B6 B2 -38.28(11) . . . . ?
B3 B1 B6 B5 99.60(13) . . . . ?
B3 B1 B6 B10 65.10(15) . . . . ?
B3 B1 B6 B11 0.27(15) . . . . ?
B3 B1 B6 C11 0.27(15) . . . . ?
B3 B2 B6 B1 38.29(11) . . . . ?
B3 B2 B6 B5 0.61(15) . . . . ?
B3 B2 B6 B10 -62.28(14) . . . . ?
B3 B2 B6 B11 -98.66(12) . . . . ?
B3 B2 B6 C11 -98.66(12) . . . . ?
B3 B2 C7 C7 -106.58(18) . . . 2_666 ?
B3 B2 C7 B8 39.54(14) . . . . ?
B3 B2 C7 C8 39.54(14) . . . . ?
B3 B2 C7 B11 144.31(12) . . . . ?
B3 B2 C7 C11 144.31(12) . . . . ?
B3 B2 C7 B12 101.05(18) . . . . ?
B3 B2 C7 C12 101.05(18) . . . . ?
B3 B2 B11 B6 101.80(12) . . . . ?
B3 B2 B11 C7 -30.99(10) . . . . ?
B3 B2 B11 B10 66.49(14) . . . . ?
B3 B2 B11 B12 4.08(18) . . . . ?
B3 B2 C11 B6 101.80(12) . . . . ?
B3 B2 C11 C7 -30.99(10) . . . . ?
B3 B2 C11 B10 66.49(14) . . . . ?
B3 B2 C11 C12 4.08(18) . . . . ?
B3 B4 B5 B1 -39.33(11) . . . . ?
B3 B4 B5 B6 -3.98(15) . . . . ?
B3 B4 B5 B10 59.98(15) . . . . ?
B3 B4 B5 B9 96.60(12) . . . . ?
B3 B4 B8 C7 -38.80(14) . . . . ?
B3 B4 B8 B9 -145.11(15) . . . . ?
B3 B4 B8 C12 -107.3(2) . . . . ?
B3 B4 C8 C7 -38.80(14) . . . . ?
B3 B4 C8 B9 -145.11(15) . . . . ?
B3 B4 C8 B12 -107.3(2) . . . . ?
B3 B4 B9 B5 -101.85(12) . . . . ?
B3 B4 B9 B8 29.64(13) . . . . ?
B3 B4 B9 C8 29.64(13) . . . . ?
B3 B4 B9 B10 -67.50(14) . . . . ?
B3 B4 B9 B12 -2.41(19) . . . . ?
B3 B4 B9 C12 -2.41(19) . . . . ?
B3 C7 B8 B4 38.68(14) . . . . ?
B3 C7 B8 B9 111.05(18) . . . . ?
B3 C7 B8 C12 144.4(2) . . . . ?
B3 C7 C8 B4 38.68(14) . . . . ?
B3 C7 C8 B9 111.05(18) . . . . ?
B3 C7 C8 B12 144.4(2) . . . . ?
B3 C7 B11 B2 34.88(12) . . . . ?
B3 C7 B11 B6 -6.14(16) . . . . ?
B3 C7 B11 B10 -68.36(14) . . . . ?
B3 C7 B11 B12 -101.30(19) . . . . ?
B3 C7 C11 B2 34.88(12) . . . . ?
B3 C7 C11 B6 -6.14(16) . . . . ?
B3 C7 C11 B10 -68.36(14) . . . . ?
B3 C7 C11 C12 -101.30(19) . . . . ?
B3 C7 B12 C8 -33.15(19) . . . . ?
B3 C7 B12 B10 74.5(2) . . . . ?
B3 C7 B12 B9 2.1(3) . . . . ?
B3 C7 B12 B11 109.68(13) . . . . ?
B3 C7 C12 B8 -33.15(19) . . . . ?
B3 C7 C12 B10 74.5(2) . . . . ?
B3 C7 C12 B9 2.1(3) . . . . ?
B3 C7 C12 C11 109.68(13) . . . . ?
B3 B8 B9 B4 -35.50(14) . . . . ?
B3 B8 B9 B5 6.0(2) . . . . ?
B3 B8 B9 B10 67.19(19) . . . . ?
B3 B8 B9 C12 105.1(2) . . . . ?
B3 B8 C12 C7 35.27(19) . . . . ?
B3 B8 C12 B10 -67.7(3) . . . . ?
B3 B8 C12 B9 -109.9(2) . . . . ?
B3 B8 C12 C11 0.6(3) . . . . ?
B3 C8 B9 B4 -35.50(14) . . . . ?
B3 C8 B9 B5 6.0(2) . . . . ?
B3 C8 B9 B10 67.19(19) . . . . ?
B3 C8 B9 B12 105.1(2) . . . . ?
B3 C8 B12 C7 35.27(19) . . . . ?
B3 C8 B12 B10 -67.7(3) . . . . ?
B3 C8 B12 B9 -109.9(2) . . . . ?
B3 C8 B12 B11 0.6(3) . . . . ?
B4 B1 B2 B3 -36.51(12) . . . . ?
B4 B1 B2 B6 100.59(13) . . . . ?
B4 B1 B2 C7 3.71(15) . . . . ?
B4 B1 B2 B11 62.24(15) . . . . ?
B4 B1 B2 C11 62.24(15) . . . . ?
B4 B1 B3 B2 140.10(12) . . . . ?
B4 B1 B3 C7 98.67(12) . . . . ?
B4 B1 B3 B8 42.47(12) . . . . ?
B4 B1 B3 C8 42.47(12) . . . . ?
B4 B1 B5 B6 -140.33(12) . . . . ?
B4 B1 B5 B10 -105.61(13) . . . . ?
B4 B1 B5 B9 -40.03(11) . . . . ?
B4 B1 B6 B2 -102.47(12) . . . . ?
B4 B1 B6 B5 35.42(11) . . . . ?
B4 B1 B6 B10 0.92(15) . . . . ?
B4 B1 B6 B11 -63.91(14) . . . . ?
B4 B1 B6 C11 -63.91(14) . . . . ?
B4 B3 C7 B2 103.11(12) . . . . ?
B4 B3 C7 C7 -142.90(15) . . . 2_666 ?
B4 B3 C7 B8 -34.59(13) . . . . ?
B4 B3 C7 C8 -34.59(13) . . . . ?
B4 B3 C7 B11 67.99(14) . . . . ?
B4 B3 C7 C11 67.99(14) . . . . ?
B4 B3 C7 B12 -3.5(2) . . . . ?
B4 B3 C7 C12 -3.5(2) . . . . ?
B4 B3 B8 C7 140.52(14) . . . . ?
B4 B3 B8 B9 36.12(15) . . . . ?
B4 B3 B8 C12 106.0(2) . . . . ?
B4 B3 C8 C7 140.52(14) . . . . ?
B4 B3 C8 B9 36.12(15) . . . . ?
B4 B3 C8 B12 106.0(2) . . . . ?
B4 B5 B6 B1 -35.36(11) . . . . ?
B4 B5 B6 B2 2.12(15) . . . . ?
B4 B5 B6 B10 106.02(13) . . . . ?
B4 B5 B6 B11 65.76(14) . . . . ?
B4 B5 B6 C11 65.76(14) . . . . ?
B4 B5 B10 B6 -98.54(13) . . . . ?
B4 B5 B10 B9 36.56(12) . . . . ?
B4 B5 B10 B11 -59.32(15) . . . . ?
B4 B5 B10 C11 -59.32(15) . . . . ?
B4 B5 B10 B12 -0.38(19) . . . . ?
B4 B5 B10 C12 -0.38(19) . . . . ?
B4 B5 B9 B8 -41.96(13) . . . . ?
B4 B5 B9 C8 -41.96(13) . . . . ?
B4 B5 B9 B10 -141.36(12) . . . . ?
B4 B5 B9 B12 -97.93(18) . . . . ?
B4 B5 B9 C12 -97.93(18) . . . . ?
B4 B8 B9 B5 41.48(12) . . . . ?
B4 B8 B9 B10 102.69(13) . . . . ?
B4 B8 B9 C12 140.6(2) . . . . ?
B4 B8 C12 C7 106.0(2) . . . . ?
B4 B8 C12 B10 3.0(3) . . . . ?
B4 B8 C12 B9 -39.24(19) . . . . ?
B4 B8 C12 C11 71.3(3) . . . . ?
B4 C8 B9 B5 41.48(12) . . . . ?
B4 C8 B9 B10 102.69(13) . . . . ?
B4 C8 B9 B12 140.6(2) . . . . ?
B4 C8 B12 C7 106.0(2) . . . . ?
B4 C8 B12 B10 3.0(3) . . . . ?
B4 C8 B12 B9 -39.24(19) . . . . ?
B4 C8 B12 B11 71.3(3) . . . . ?
B4 B9 B12 C7 0.3(3) . . . . ?
B4 B9 B12 C8 34.63(18) . . . . ?
B4 B9 B12 B10 -103.26(14) . . . . ?
B4 B9 B12 B11 -68.5(3) . . . . ?
B4 B9 C12 C7 0.3(3) . . . . ?
B4 B9 C12 B8 34.63(18) . . . . ?
B4 B9 C12 B10 -103.26(14) . . . . ?
B4 B9 C12 C11 -68.5(3) . . . . ?
B5 B1 B2 B3 -99.41(13) . . . . ?
B5 B1 B2 B6 37.69(11) . . . . ?
B5 B1 B2 C7 -59.19(13) . . . . ?
B5 B1 B2 B11 -0.65(15) . . . . ?
B5 B1 B2 C11 -0.65(15) . . . . ?
B5 B1 B3 B2 101.17(12) . . . . ?
B5 B1 B3 B4 -38.93(11) . . . . ?
B5 B1 B3 C7 59.74(13) . . . . ?
B5 B1 B3 B8 3.54(15) . . . . ?
B5 B1 B3 C8 3.54(15) . . . . ?
B5 B1 B4 B3 135.50(12) . . . . ?
B5 B1 B4 B8 95.00(13) . . . . ?
B5 B1 B4 C8 95.00(13) . . . . ?
B5 B1 B4 B9 38.61(11) . . . . ?
B5 B1 B6 B2 -137.89(12) . . . . ?
B5 B1 B6 B10 -34.51(11) . . . . ?
B5 B1 B6 B11 -99.34(12) . . . . ?
B5 B1 B6 C11 -99.34(12) . . . . ?
B5 B4 B8 B3 104.43(13) . . . . ?
B5 B4 B8 C7 65.63(19) . . . . ?
B5 B4 B8 B9 -40.68(12) . . . . ?
B5 B4 B8 C12 -2.9(2) . . . . ?
B5 B4 C8 B3 104.43(13) . . . . ?
B5 B4 C8 C7 65.63(19) . . . . ?
B5 B4 C8 B9 -40.68(12) . . . . ?
B5 B4 C8 B12 -2.9(2) . . . . ?
B5 B4 B9 B8 131.49(14) . . . . ?
B5 B4 B9 C8 131.49(14) . . . . ?
B5 B4 B9 B10 34.34(11) . . . . ?
B5 B4 B9 B12 99.44(18) . . . . ?
B5 B4 B9 C12 99.44(18) . . . . ?
B5 B6 B10 B9 -39.13(10) . . . . ?
B5 B6 B10 B11 -135.00(12) . . . . ?
B5 B6 B10 C11 -135.00(12) . . . . ?
B5 B6 B10 B12 -93.14(16) . . . . ?
B5 B6 B10 C12 -93.14(16) . . . . ?
B5 B6 B11 B2 -101.48(12) . . . . ?
B5 B6 B11 C7 -59.97(14) . . . . ?
B5 B6 B11 B10 39.24(11) . . . . ?
B5 B6 B11 B12 -4.14(18) . . . . ?
B5 B6 C11 B2 -101.48(12) . . . . ?
B5 B6 C11 C7 -59.97(14) . . . . ?
B5 B6 C11 B10 39.24(11) . . . . ?
B5 B6 C11 C12 -4.14(18) . . . . ?
B5 B10 B9 B4 -34.37(11) . . . . ?
B5 B10 B9 B8 -97.30(14) . . . . ?
B5 B10 B9 C8 -97.30(14) . . . . ?
B5 B10 B9 B12 -131.49(19) . . . . ?
B5 B10 B9 C12 -131.49(19) . . . . ?
B5 B10 B11 B2 -5.02(15) . . . . ?
B5 B10 B11 B6 -40.28(11) . . . . ?
B5 B10 B11 C7 58.64(14) . . . . ?
B5 B10 B11 B12 89.16(17) . . . . ?
B5 B10 C11 B2 -5.02(15) . . . . ?
B5 B10 C11 B6 -40.28(11) . . . . ?
B5 B10 C11 C7 58.64(14) . . . . ?
B5 B10 C11 C12 89.16(17) . . . . ?
B5 B10 B12 C7 -69.8(2) . . . . ?
B5 B10 B12 C8 -1.6(3) . . . . ?
B5 B10 B12 B9 40.41(15) . . . . ?
B5 B10 B12 B11 -104.52(13) . . . . ?
B5 B10 C12 C7 -69.8(2) . . . . ?
B5 B10 C12 B8 -1.6(3) . . . . ?
B5 B10 C12 B9 40.41(15) . . . . ?
B5 B10 C12 C11 -104.52(13) . . . . ?
B5 B9 B12 C7 61.8(3) . . . . ?
B5 B9 B12 C8 96.09(18) . . . . ?
B5 B9 B12 B10 -41.80(15) . . . . ?
B5 B9 B12 B11 -7.1(3) . . . . ?
B5 B9 C12 C7 61.8(3) . . . . ?
B5 B9 C12 B8 96.09(18) . . . . ?
B5 B9 C12 B10 -41.80(15) . . . . ?
B5 B9 C12 C11 -7.1(3) . . . . ?
B6 B1 B2 B3 -137.09(12) . . . . ?
B6 B1 B2 C7 -96.88(12) . . . . ?
B6 B1 B2 B11 -38.34(11) . . . . ?
B6 B1 B2 C11 -38.34(11) . . . . ?
B6 B1 B3 B2 37.80(11) . . . . ?
B6 B1 B3 B4 -102.30(13) . . . . ?
B6 B1 B3 C7 -3.63(15) . . . . ?
B6 B1 B3 B8 -59.83(15) . . . . ?
B6 B1 B3 C8 -59.83(15) . . . . ?
B6 B1 B4 B3 99.62(12) . . . . ?
B6 B1 B4 B5 -35.88(11) . . . . ?
B6 B1 B4 B8 59.12(15) . . . . ?
B6 B1 B4 C8 59.12(15) . . . . ?
B6 B1 B4 B9 2.74(15) . . . . ?
B6 B1 B5 B4 140.33(12) . . . . ?
B6 B1 B5 B10 34.71(11) . . . . ?
B6 B1 B5 B9 100.30(12) . . . . ?
B6 B2 B3 B1 -38.75(11) . . . . ?
B6 B2 B3 B4 -3.09(15) . . . . ?
B6 B2 B3 C7 93.31(12) . . . . ?
B6 B2 B3 B8 59.10(15) . . . . ?
B6 B2 B3 C8 59.10(15) . . . . ?
B6 B2 C7 B3 -103.84(12) . . . . ?
B6 B2 C7 C7 149.58(15) . . . 2_666 ?
B6 B2 C7 B8 -64.30(15) . . . . ?
B6 B2 C7 C8 -64.30(15) . . . . ?
B6 B2 C7 B11 40.47(10) . . . . ?
B6 B2 C7 C11 40.47(10) . . . . ?
B6 B2 C7 B12 -2.8(2) . . . . ?
B6 B2 C7 C12 -2.8(2) . . . . ?
B6 B2 B11 C7 -132.79(12) . . . . ?
B6 B2 B11 B10 -35.31(11) . . . . ?
B6 B2 B11 B12 -97.72(16) . . . . ?
B6 B2 C11 C7 -132.79(12) . . . . ?
B6 B2 C11 B10 -35.31(11) . . . . ?
B6 B2 C11 C12 -97.72(16) . . . . ?
B6 B5 B10 B9 135.10(12) . . . . ?
B6 B5 B10 B11 39.22(10) . . . . ?
B6 B5 B10 C11 39.22(10) . . . . ?
B6 B5 B10 B12 98.16(16) . . . . ?
B6 B5 B10 C12 98.16(16) . . . . ?
B6 B5 B9 B4 101.65(12) . . . . ?
B6 B5 B9 B8 59.69(15) . . . . ?
B6 B5 B9 C8 59.69(15) . . . . ?
B6 B5 B9 B10 -39.72(11) . . . . ?
B6 B5 B9 B12 3.7(2) . . . . ?
B6 B5 B9 C12 3.7(2) . . . . ?
B6 B10 B9 B4 5.83(15) . . . . ?
B6 B10 B9 B5 40.21(11) . . . . ?
B6 B10 B9 B8 -57.09(15) . . . . ?
B6 B10 B9 C8 -57.09(15) . . . . ?
B6 B10 B9 B12 -91.28(18) . . . . ?
B6 B10 B9 C12 -91.28(18) . . . . ?
B6 B10 B11 B2 35.26(11) . . . . ?
B6 B10 B11 C7 98.92(11) . . . . ?
B6 B10 B11 B12 129.44(17) . . . . ?
B6 B10 C11 B2 35.26(11) . . . . ?
B6 B10 C11 C7 98.92(11) . . . . ?
B6 B10 C11 C12 129.44(17) . . . . ?
B6 B10 B12 C7 -7.7(2) . . . . ?
B6 B10 B12 C8 60.6(3) . . . . ?
B6 B10 B12 B9 102.53(15) . . . . ?
B6 B10 B12 B11 -42.40(13) . . . . ?
B6 B10 C12 C7 -7.7(2) . . . . ?
B6 B10 C12 B8 60.6(3) . . . . ?
B6 B10 C12 B9 102.53(15) . . . . ?
B6 B10 C12 C11 -42.40(13) . . . . ?
B6 B11 B12 C7 -99.56(14) . . . . ?
B6 B11 B12 C8 -64.4(3) . . . . ?
B6 B11 B12 B10 43.22(13) . . . . ?
B6 B11 B12 B9 7.4(3) . . . . ?
B6 C11 C12 C7 -99.56(14) . . . . ?
B6 C11 C12 B8 -64.4(3) . . . . ?
B6 C11 C12 B10 43.22(13) . . . . ?
B6 C11 C12 B9 7.4(3) . . . . ?
C7 B2 B3 B1 -132.07(12) . . . . ?
C7 B2 B3 B4 -96.40(12) . . . . ?
C7 B2 B3 B8 -34.22(11) . . . . ?
C7 B2 B3 C8 -34.22(11) . . . . ?
C7 B2 B6 B1 98.24(11) . . . . ?
C7 B2 B6 B5 60.55(13) . . . . ?
C7 B2 B6 B10 -2.34(14) . . . . ?
C7 B2 B6 B11 -38.72(10) . . . . ?
C7 B2 B6 C11 -38.72(10) . . . . ?
C7 B2 B11 B6 132.79(12) . . . . ?
C7 B2 B11 B10 97.48(12) . . . . ?
C7 B2 B11 B12 35.07(15) . . . . ?
C7 B2 C11 B6 132.79(12) . . . . ?
C7 B2 C11 B10 97.48(12) . . . . ?
C7 B2 C11 C12 35.07(15) . . . . ?
C7 B3 B4 B1 -98.19(12) . . . . ?
C7 B3 B4 B5 -58.10(14) . . . . ?
C7 B3 B4 B8 32.31(12) . . . . ?
C7 B3 B4 C8 32.31(12) . . . . ?
C7 B3 B4 B9 3.46(14) . . . . ?
C7 B3 B8 B4 -140.52(14) . . . . ?
C7 B3 B8 B9 -104.39(19) . . . . ?
C7 B3 B8 C12 -34.5(2) . . . . ?
C7 B3 C8 B4 -140.52(14) . . . . ?
C7 B3 C8 B9 -104.39(19) . . . . ?
C7 B3 C8 B12 -34.5(2) . . . . ?
C7 C7 B8 B3 108.18(17) 2_666 . . . ?
C7 C7 B8 B4 146.87(17) 2_666 . . . ?
C7 C7 B8 B9 -140.76(17) 2_666 . . . ?
C7 C7 B8 C12 -107.5(2) 2_666 . . . ?
C7 C7 C8 B3 108.18(17) 2_666 . . . ?
C7 C7 C8 B4 146.87(17) 2_666 . . . ?
C7 C7 C8 B9 -140.76(17) 2_666 . . . ?
C7 C7 C8 B12 -107.5(2) 2_666 . . . ?
C7 C7 B11 B2 -113.64(17) 2_666 . . . ?
C7 C7 B11 B6 -154.66(15) 2_666 . . . ?
C7 C7 B11 B10 143.11(15) 2_666 . . . ?
C7 C7 B11 B12 110.2(2) 2_666 . . . ?
C7 C7 C11 B2 -113.64(17) 2_666 . . . ?
C7 C7 C11 B6 -154.66(15) 2_666 . . . ?
C7 C7 C11 B10 143.11(15) 2_666 . . . ?
C7 C7 C11 C12 110.2(2) 2_666 . . . ?
C7 C7 B12 C8 105.8(2) 2_666 . . . ?
C7 C7 B12 B10 -146.55(19) 2_666 . . . ?
C7 C7 B12 B9 141.1(2) 2_666 . . . ?
C7 C7 B12 B11 -111.33(18) 2_666 . . . ?
C7 C7 C12 B8 105.8(2) 2_666 . . . ?
C7 C7 C12 B10 -146.55(19) 2_666 . . . ?
C7 C7 C12 B9 141.1(2) 2_666 . . . ?
C7 C7 C12 C11 -111.33(18) 2_666 . . . ?
C7 B8 B9 B4 -107.26(18) . . . . ?
C7 B8 B9 B5 -65.78(18) . . . . ?
C7 B8 B9 B10 -4.6(2) . . . . ?
C7 B8 B9 C12 33.3(2) . . . . ?
C7 B8 C12 B10 -102.9(3) . . . . ?
C7 B8 C12 B9 -145.2(2) . . . . ?
C7 B8 C12 C11 -34.66(18) . . . . ?
C7 C8 B9 B4 -107.26(18) . . . . ?
C7 C8 B9 B5 -65.78(18) . . . . ?
C7 C8 B9 B10 -4.6(2) . . . . ?
C7 C8 B9 B12 33.3(2) . . . . ?
C7 C8 B12 B10 -102.9(3) . . . . ?
C7 C8 B12 B9 -145.2(2) . . . . ?
C7 C8 B12 B11 -34.66(18) . . . . ?
C7 B11 B12 C8 35.17(19) . . . . ?
C7 B11 B12 B10 142.78(18) . . . . ?
C7 B11 B12 B9 106.9(3) . . . . ?
C7 C11 C12 B8 35.17(19) . . . . ?
C7 C11 C12 B10 142.78(18) . . . . ?
C7 C11 C12 B9 106.9(3) . . . . ?
B8 B3 B4 B1 -130.50(14) . . . . ?
B8 B3 B4 B5 -90.41(14) . . . . ?
B8 B3 B4 B9 -28.85(13) . . . . ?
B8 B3 C7 B2 137.70(14) . . . . ?
B8 B3 C7 C7 -108.31(19) . . . 2_666 ?
B8 B3 C7 C11 102.58(15) . . . . ?
B8 B3 C7 C12 31.13(19) . . . . ?
B8 B4 B5 B1 -97.54(13) . . . . ?
B8 B4 B5 B6 -62.18(15) . . . . ?
B8 B4 B5 B10 1.78(17) . . . . ?
B8 B4 B5 B9 38.40(12) . . . . ?
B8 B4 B9 B5 -131.49(14) . . . . ?
B8 B4 B9 B10 -97.15(14) . . . . ?
B8 B4 B9 C12 -32.05(18) . . . . ?
B8 C7 C11 B2 103.23(14) . . . . ?
B8 C7 C11 B6 62.21(16) . . . . ?
B8 C7 C11 B10 -0.02(16) . . . . ?
B8 C7 C11 C12 -32.96(19) . . . . ?
B8 C7 C12 B10 107.6(3) . . . . ?
B8 C7 C12 B9 35.2(2) . . . . ?
B8 C7 C12 C11 142.8(2) . . . . ?
B8 B9 C12 C7 -34.3(2) . . . . ?
B8 B9 C12 B10 -137.9(2) . . . . ?
B8 B9 C12 C11 -103.2(3) . . . . ?
C8 B3 B4 B1 -130.50(14) . . . . ?
C8 B3 B4 B5 -90.41(14) . . . . ?
C8 B3 B4 B9 -28.85(13) . . . . ?
C8 B3 C7 B2 137.70(14) . . . . ?
C8 B3 C7 C7 -108.31(19) . . . 2_666 ?
C8 B3 C7 B11 102.58(15) . . . . ?
C8 B3 C7 B12 31.13(19) . . . . ?
C8 B4 B5 B1 -97.54(13) . . . . ?
C8 B4 B5 B6 -62.18(15) . . . . ?
C8 B4 B5 B10 1.78(17) . . . . ?
C8 B4 B5 B9 38.40(12) . . . . ?
C8 B4 B9 B5 -131.49(14) . . . . ?
C8 B4 B9 B10 -97.15(14) . . . . ?
C8 B4 B9 B12 -32.05(18) . . . . ?
C8 C7 B11 B2 103.23(14) . . . . ?
C8 C7 B11 B6 62.21(16) . . . . ?
C8 C7 B11 B10 -0.02(16) . . . . ?
C8 C7 B11 B12 -32.96(19) . . . . ?
C8 C7 B12 B10 107.6(3) . . . . ?
C8 C7 B12 B9 35.2(2) . . . . ?
C8 C7 B12 B11 142.8(2) . . . . ?
C8 B9 B12 C7 -34.3(2) . . . . ?
C8 B9 B12 B10 -137.9(2) . . . . ?
C8 B9 B12 B11 -103.2(3) . . . . ?
B10 B5 B6 B1 -141.38(12) . . . . ?
B10 B5 B6 B2 -103.90(12) . . . . ?
B10 B5 B6 B11 -40.26(11) . . . . ?
B10 B5 B6 C11 -40.26(11) . . . . ?
B10 B5 B9 B4 141.36(12) . . . . ?
B10 B5 B9 B8 99.41(14) . . . . ?
B10 B5 B9 C8 99.41(14) . . . . ?
B10 B5 B9 B12 43.43(17) . . . . ?
B10 B5 B9 C12 43.43(17) . . . . ?
B10 B6 B11 B2 -140.72(12) . . . . ?
B10 B6 B11 C7 -99.21(12) . . . . ?
B10 B6 B11 B12 -43.38(15) . . . . ?
B10 B6 C11 B2 -140.72(12) . . . . ?
B10 B6 C11 C7 -99.21(12) . . . . ?
B10 B6 C11 C12 -43.38(15) . . . . ?
B10 B9 B12 C7 103.6(3) . . . . ?
B10 B9 B12 C8 137.9(2) . . . . ?
B10 B9 B12 B11 34.71(19) . . . . ?
B10 B9 C12 C7 103.6(3) . . . . ?
B10 B9 C12 B8 137.9(2) . . . . ?
B10 B9 C12 C11 34.71(19) . . . . ?
B10 B11 B12 C7 -142.78(18) . . . . ?
B10 B11 B12 C8 -107.6(3) . . . . ?
B10 B11 B12 B9 -35.9(2) . . . . ?
B10 C11 C12 C7 -142.78(18) . . . . ?
B10 C11 C12 B8 -107.6(3) . . . . ?
B10 C11 C12 B9 -35.9(2) . . . . ?
B9 B4 B5 B1 -135.93(12) . . . . ?
B9 B4 B5 B6 -100.58(12) . . . . ?
B9 B4 B5 B10 -36.62(12) . . . . ?
B9 B4 B8 B3 145.11(15) . . . . ?
B9 B4 B8 C7 106.31(19) . . . . ?
B9 B4 B8 C12 37.8(2) . . . . ?
B9 B4 C8 B3 145.11(15) . . . . ?
B9 B4 C8 C7 106.31(19) . . . . ?
B9 B4 C8 B12 37.8(2) . . . . ?
B9 B5 B6 B1 -100.61(12) . . . . ?
B9 B5 B6 B2 -63.13(14) . . . . ?
B9 B5 B6 B10 40.77(11) . . . . ?
B9 B5 B6 B11 0.51(15) . . . . ?
B9 B5 B6 C11 0.51(15) . . . . ?
B9 B5 B10 B6 -135.10(12) . . . . ?
B9 B5 B10 B11 -95.88(12) . . . . ?
B9 B5 B10 C11 -95.88(12) . . . . ?
B9 B5 B10 B12 -36.94(15) . . . . ?
B9 B5 B10 C12 -36.94(15) . . . . ?
B9 B8 C12 C7 145.2(2) . . . . ?
B9 B8 C12 B10 42.2(2) . . . . ?
B9 B8 C12 C11 110.5(3) . . . . ?
B9 C8 B12 C7 145.2(2) . . . . ?
B9 C8 B12 B10 42.2(2) . . . . ?
B9 C8 B12 B11 110.5(3) . . . . ?
B9 B10 B11 B2 -66.21(13) . . . . ?
B9 B10 B11 B6 -101.47(12) . . . . ?
B9 B10 B11 C7 -2.55(14) . . . . ?
B9 B10 B11 B12 27.98(16) . . . . ?
B9 B10 C11 B2 -66.21(13) . . . . ?
B9 B10 C11 B6 -101.47(12) . . . . ?
B9 B10 C11 C7 -2.55(14) . . . . ?
B9 B10 C11 C12 27.98(16) . . . . ?
B9 B10 B12 C7 -110.2(3) . . . . ?
B9 B10 B12 C8 -42.0(2) . . . . ?
B9 B10 B12 B11 -144.93(19) . . . . ?
B9 B10 C12 C7 -110.2(3) . . . . ?
B9 B10 C12 B8 -42.0(2) . . . . ?
B9 B10 C12 C11 -144.93(19) . . . . ?
B11 B2 B3 B1 -101.66(12) . . . . ?
B11 B2 B3 B4 -65.99(14) . . . . ?
B11 B2 B3 C7 30.41(10) . . . . ?
B11 B2 B3 C8 -3.81(15) . . . . ?
B11 B2 B6 B1 136.95(12) . . . . ?
B11 B2 B6 B5 99.27(12) . . . . ?
B11 B2 B6 B10 36.38(11) . . . . ?
B11 B2 C7 B3 -144.31(12) . . . . ?
B11 B2 C7 C7 109.11(17) . . . 2_666 ?
B11 B2 C7 C8 -104.78(15) . . . . ?
B11 B2 C7 B12 -43.26(17) . . . . ?
B11 B6 B10 B5 135.00(12) . . . . ?
B11 B6 B10 B9 95.87(12) . . . . ?
B11 B6 B10 B12 41.86(15) . . . . ?
B11 C7 C8 B3 -108.00(13) . . . . ?
B11 C7 C8 B4 -69.32(19) . . . . ?
B11 C7 C8 B9 3.0(2) . . . . ?
B11 C7 C8 B12 36.4(2) . . . . ?
B11 C7 B12 C8 -142.8(2) . . . . ?
B11 C7 B12 B10 -35.22(17) . . . . ?
B11 C7 B12 B9 -107.6(3) . . . . ?
B11 B10 B9 B4 67.05(13) . . . . ?
B11 B10 B9 B5 101.42(12) . . . . ?
B11 B10 B9 C8 4.13(16) . . . . ?
B11 B10 B9 B12 -30.06(18) . . . . ?
B11 B10 B12 C7 34.70(17) . . . . ?
B11 B10 B12 C8 103.0(3) . . . . ?
B11 B10 B12 B9 144.93(19) . . . . ?
C11 B2 B3 B1 -101.66(12) . . . . ?
C11 B2 B3 B4 -65.99(14) . . . . ?
C11 B2 B3 C7 30.41(10) . . . . ?
C11 B2 B3 B8 -3.81(15) . . . . ?
C11 B2 B6 B1 136.95(12) . . . . ?
C11 B2 B6 B5 99.27(12) . . . . ?
C11 B2 B6 B10 36.38(11) . . . . ?
C11 B2 C7 B3 -144.31(12) . . . . ?
C11 B2 C7 C7 109.11(17) . . . 2_666 ?
C11 B2 C7 B8 -104.78(15) . . . . ?
C11 B2 C7 C12 -43.26(17) . . . . ?
C11 B6 B10 B5 135.00(12) . . . . ?
C11 B6 B10 B9 95.87(12) . . . . ?
C11 B6 B10 C12 41.86(15) . . . . ?
C11 C7 B8 B3 -108.00(13) . . . . ?
C11 C7 B8 B4 -69.32(19) . . . . ?
C11 C7 B8 B9 3.0(2) . . . . ?
C11 C7 B8 C12 36.4(2) . . . . ?
C11 C7 C12 B8 -142.8(2) . . . . ?
C11 C7 C12 B10 -35.22(17) . . . . ?
C11 C7 C12 B9 -107.6(3) . . . . ?
C11 B10 B9 B4 67.05(13) . . . . ?
C11 B10 B9 B5 101.42(12) . . . . ?
C11 B10 B9 B8 4.13(16) . . . . ?
C11 B10 B9 C12 -30.06(18) . . . . ?
C11 B10 C12 C7 34.70(17) . . . . ?
C11 B10 C12 B8 103.0(3) . . . . ?
C11 B10 C12 B9 144.93(19) . . . . ?
B12 C7 C8 B3 -144.4(2) . . . . ?
B12 C7 C8 B4 -105.7(2) . . . . ?
B12 C7 C8 B9 -33.3(2) . . . . ?
B12 C7 B11 B2 136.19(18) . . . . ?
B12 C7 B11 B6 95.17(18) . . . . ?
B12 C7 B11 B10 32.95(17) . . . . ?
B12 C8 B9 B4 -140.6(2) . . . . ?
B12 C8 B9 B5 -99.1(2) . . . . ?
B12 C8 B9 B10 -37.9(2) . . . . ?
B12 B10 B9 B4 97.11(19) . . . . ?
B12 B10 B9 B5 131.49(19) . . . . ?
B12 B10 B9 C8 34.19(18) . . . . ?
B12 B10 B11 B2 -94.19(18) . . . . ?
B12 B10 B11 B6 -129.44(17) . . . . ?
B12 B10 B11 C7 -30.53(16) . . . . ?
C12 C7 B8 B3 -144.4(2) . . . . ?
C12 C7 B8 B4 -105.7(2) . . . . ?
C12 C7 B8 B9 -33.3(2) . . . . ?
C12 C7 C11 B2 136.19(18) . . . . ?
C12 C7 C11 B6 95.17(18) . . . . ?
C12 C7 C11 B10 32.95(17) . . . . ?
C12 B8 B9 B4 -140.6(2) . . . . ?
C12 B8 B9 B5 -99.1(2) . . . . ?
C12 B8 B9 B10 -37.9(2) . . . . ?
C12 B10 B9 B4 97.11(19) . . . . ?
C12 B10 B9 B5 131.49(19) . . . . ?
C12 B10 B9 B8 34.19(18) . . . . ?
C12 B10 C11 B2 -94.19(18) . . . . ?
C12 B10 C11 B6 -129.44(17) . . . . ?
C12 B10 C11 C7 -30.53(16) . . . . ?
N1 C103 C104 C105 98.43(16) . . . . ?
N1 C103 C104 C109 -85.47(17) . . . . ?
C100 N1 C103 C104 -174.19(12) . . . . ?
C101 N1 C103 C104 -54.56(16) . . . . ?
C102 N1 C103 C104 66.64(15) . . . . ?
C103 C104 C105 C106 177.03(14) . . . . ?
C103 C104 C109 C108 -178.40(16) . . . . ?
C104 C105 C106 C107 0.8(2) . . . . ?
C105 C104 C109 C108 -2.2(3) . . . . ?
C105 C106 C107 C108 -1.0(3) . . . . ?
C106 C107 C108 C109 -0.4(3) . . . . ?
C107 C108 C109 C104 2.1(3) . . . . ?
C109 C104 C105 C106 0.8(2) . . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_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_3146m
_database_code_depnum_ccdc_archive 'CCDC 1516773'
_audit_update_record             
;
2016-12-15 deposited with the CCDC.
2016-12-19 downloaded from the CCDC.
;
_audit_creation_date             2016-12-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H48 B18 Ru2'
_chemical_formula_sum            'C24 H48 B18 Ru2'
_chemical_formula_weight         733.34
_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'
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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   19.190(2)
_cell_length_b                   10.7869(11)
_cell_length_c                   17.9357(17)
_cell_angle_alpha                90
_cell_angle_beta                 116.289(4)
_cell_angle_gamma                90
_cell_volume                     3328.8(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5396
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      24.11
_cell_measurement_theta_min      2.29
_shelx_estimated_absorpt_T_max   0.964
_shelx_estimated_absorpt_T_min   0.675
_exptl_absorpt_coefficient_mu    0.926
_exptl_absorpt_correction_T_max  0.9639
_exptl_absorpt_correction_T_min  0.6754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2009)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1180
_diffrn_reflns_av_unetI/netI     0.0980
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            42726
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.145
_diffrn_reflns_theta_min         2.228
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.991
_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                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4105
_reflns_number_total             6592
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.519
_refine_diff_density_min         -1.892
_refine_diff_density_rms         0.153
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         6592
_refine_ls_number_restraints     44
_refine_ls_R_factor_all          0.1164
_refine_ls_R_factor_gt           0.0613
_refine_ls_restrained_S_all      1.018
_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)+(0.0966P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1431
_refine_ls_wR_factor_ref         0.1714
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C36-C33 = C36X-C33 = C36X-C38' = C36X-C37'
 1.53 with sigma of 0.02
 C37-C30 = C37X-C30 = C37-C38 = C37-C39
 1.53 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C38 \\sim C38' \\sim C37' \\sim C37: within 2A with sigma of 0.02 and sigma for
terminal atoms of 0.04
C37 \\sim C36: within 2A with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C36) \\sim Ueq, Uanis(C37') \\sim Ueq, Uanis(C38') \\sim Ueq, Uanis(C37)
\\sim Ueq, Uanis(C37X) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.01
Uanis(C36) = Uanis(C36X)
Uanis(C37) = Uanis(C37X)
4. Others
 Sof(C37X)=Sof(H37A)=Sof(H37B)=Sof(H37C)=Sof(C38')=Sof(H38D)=Sof(H38E)=
 Sof(H38F)=Sof(C37')=Sof(H37D)=Sof(H37E)=Sof(H37F)=Sof(C36X)=Sof(H36X)=1-FVAR(1)
 Sof(C37)=Sof(H37)=Sof(C38)=Sof(H38A)=Sof(H38B)=Sof(H38C)=Sof(C39)=Sof(H39A)=
 Sof(H39B)=Sof(H39C)=Sof(C36)=Sof(H36A)=Sof(H36B)=Sof(H36C)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C21'(H21'), C22'(H22'), C24'(H24'), C25'(H25'), C27'(H27'), C31(H31),
 C32(H32), C34(H34), C35(H35), C37(H37), C36X(H36X)
5.b Me refined with riding coordinates:
 C37X(H37A,H37B,H37C), C37'(H37D,H37E,H37F), C36(H36A,H36B,H36C)
5.c Idealised Me refined as rotating group:
 C26'(H26A,H26B,H26C), C28'(H28A,H28B,H28C), C29'(H29A,H29B,H29C), C38(H38A,
 H38B,H38C), C39(H39A,H39B,H39C), C38'(H38D,H38E,H38F)
;
_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
Ru2' Ru 1.02263(3) 0.27111(5) 0.40495(3) 0.02449(18) Uani 1 1 d . . . . .
C1' C 0.9555(4) 0.1555(7) 0.2973(4) 0.0333(17) Uani 1 1 d . . . . .
H1' H 0.983(4) 0.073(7) 0.290(4) 0.040 Uiso 1 1 d R . . . .
B3' B 0.9170(5) 0.1698(7) 0.3673(5) 0.0287(18) Uani 1 1 d . . . . .
H3' H 0.919(4) 0.102(6) 0.410(4) 0.034 Uiso 1 1 d R . . . .
B4' B 0.8583(5) 0.1342(8) 0.2599(5) 0.0327(19) Uani 1 1 d . . . . .
H4' H 0.828(4) 0.045(7) 0.242(4) 0.039 Uiso 1 1 d R . . . .
B5' B 0.8969(5) 0.2146(8) 0.2005(5) 0.0339(19) Uani 1 1 d . . . . .
H5' H 0.894(4) 0.166(6) 0.144(4) 0.041 Uiso 1 1 d R . . . .
B6' B 0.9790(5) 0.3004(7) 0.2703(5) 0.0321(19) Uani 1 1 d . . . . .
H6' H 1.023(4) 0.315(6) 0.247(4) 0.039 Uiso 1 1 d R . . . .
B7' B 0.9069(5) 0.3346(7) 0.3820(5) 0.0280(18) Uani 1 1 d . . . . .
H7' H 0.893(4) 0.370(6) 0.431(4) 0.034 Uiso 1 1 d R . . . .
C8' C 0.8287(4) 0.2454(6) 0.3083(4) 0.0271(16) Uani 1 1 d . . . . .
B9' B 0.8146(5) 0.2721(8) 0.2072(4) 0.0316(18) Uani 1 1 d . . . . .
H9' H 0.748(4) 0.260(6) 0.163(4) 0.038 Uiso 1 1 d R . . . .
B10' B 0.8883(5) 0.3741(8) 0.2142(5) 0.0323(19) Uani 1 1 d . . . . .
H10' H 0.884(4) 0.446(6) 0.167(4) 0.039 Uiso 1 1 d R . . . .
B11' B 0.9450(5) 0.4128(8) 0.3205(5) 0.0313(18) Uani 1 1 d . . . . .
H11' H 0.954(4) 0.502(7) 0.328(4) 0.038 Uiso 1 1 d R . . . .
B12' B 0.8439(5) 0.3936(7) 0.2812(5) 0.0306(18) Uani 1 1 d . . . . .
H12' H 0.798(4) 0.455(6) 0.267(4) 0.037 Uiso 1 1 d R . . . .
C20' C 1.1497(4) 0.3124(6) 0.4416(4) 0.0279(15) Uani 1 1 d . . . . .
C21' C 1.1190(4) 0.3978(6) 0.4790(4) 0.0320(16) Uani 1 1 d . . . . .
H21' H 1.1151 0.4874 0.4632 0.038 Uiso 1 1 calc R . . . .
C22' C 1.0843(4) 0.3562(6) 0.5300(4) 0.0296(16) Uani 1 1 d . . . . .
H22' H 1.0561 0.4171 0.5488 0.035 Uiso 1 1 calc R . . . .
C23' C 1.0769(4) 0.2266(7) 0.5419(4) 0.0320(16) Uani 1 1 d . . . . .
C24' C 1.1053(4) 0.1433(6) 0.5013(4) 0.0291(16) Uani 1 1 d . . . . .
H24' H 1.0916 0.0534 0.4991 0.035 Uiso 1 1 calc R . . . .
C25' C 1.1410(4) 0.1860(6) 0.4526(4) 0.0280(15) Uani 1 1 d . . . . .
H25' H 1.1512 0.1253 0.4164 0.034 Uiso 1 1 calc R . . . .
C26' C 1.0396(5) 0.1832(7) 0.5951(4) 0.0358(17) Uani 1 1 d . . . . .
H26A H 1.0081 0.1094 0.5701 0.054 Uiso 1 1 calc GR . . . .
H26B H 1.0063 0.2490 0.5993 0.054 Uiso 1 1 calc GR . . . .
H26C H 1.0800 0.1627 0.6508 0.054 Uiso 1 1 calc GR . . . .
C27' C 1.1880(4) 0.3624(7) 0.3893(4) 0.0350(17) Uani 1 1 d . . . . .
H27' H 1.1541 0.4297 0.3530 0.042 Uiso 1 1 calc R . . . .
C28' C 1.2670(5) 0.4208(9) 0.4477(5) 0.059(2) Uani 1 1 d . . . . .
H28A H 1.2586 0.4894 0.4785 0.088 Uiso 1 1 calc GR . . . .
H28B H 1.2925 0.4520 0.4147 0.088 Uiso 1 1 calc GR . . . .
H28C H 1.3000 0.3580 0.4869 0.088 Uiso 1 1 calc GR . . . .
C29' C 1.1986(5) 0.2656(7) 0.3330(4) 0.0415(19) Uani 1 1 d . . . . .
H29A H 1.2342 0.2008 0.3673 0.062 Uiso 1 1 calc GR . . . .
H29B H 1.2203 0.3054 0.2988 0.062 Uiso 1 1 calc GR . . . .
H29C H 1.1482 0.2286 0.2970 0.062 Uiso 1 1 calc GR . . . .
Ru3 Ru 0.64413(4) 0.32294(7) 0.24022(4) 0.0431(2) Uani 1 1 d . . . . .
C1 C 0.7558(4) 0.2177(7) 0.3223(4) 0.0358(17) Uani 1 1 d . . . . .
C2 C 0.7265(5) 0.3137(8) 0.3729(5) 0.0413(19) Uani 1 1 d . . . . .
H2 H 0.757(4) 0.388(7) 0.390(5) 0.050 Uiso 1 1 d R . . . .
B4 B 0.6783(6) 0.1254(9) 0.2618(6) 0.041(2) Uani 1 1 d . . . . .
H4 H 0.668(4) 0.097(7) 0.202(5) 0.049 Uiso 1 1 d R . . . .
B5 B 0.7513(5) 0.0674(8) 0.3542(5) 0.036(2) Uani 1 1 d . . . . .
H5 H 0.784(4) -0.001(7) 0.350(4) 0.044 Uiso 1 1 d R . . . .
B6 B 0.7831(5) 0.1881(8) 0.4273(5) 0.0314(19) Uani 1 1 d . . . . .
H6 H 0.841(4) 0.200(6) 0.465(4) 0.038 Uiso 1 1 d R . . . .
B7 B 0.6284(5) 0.2965(10) 0.3525(6) 0.041(2) Uani 1 1 d . . . . .
H7 H 0.599(4) 0.366(7) 0.356(5) 0.050 Uiso 1 1 d R . . . .
B8 B 0.5955(5) 0.1675(9) 0.2791(5) 0.040(2) Uani 1 1 d . . . . .
H8 H 0.542(4) 0.156(7) 0.236(5) 0.048 Uiso 1 1 d R . . . .
B9 B 0.6539(5) 0.0351(9) 0.3291(5) 0.039(2) Uani 1 1 d . . . . .
H9 H 0.637(4) -0.067(7) 0.308(4) 0.047 Uiso 1 1 d R . . . .
B10 B 0.7191(5) 0.0788(9) 0.4331(5) 0.037(2) Uani 1 1 d . . . . .
H10 H 0.743(4) 0.003(7) 0.492(4) 0.045 Uiso 1 1 d R . . . .
B11 B 0.7054(5) 0.2370(9) 0.4451(5) 0.036(2) Uani 1 1 d . . . . .
H11 H 0.714(4) 0.292(6) 0.495(5) 0.044 Uiso 1 1 d R . . . .
B12 B 0.6234(5) 0.1413(9) 0.3859(5) 0.037(2) Uani 1 1 d . . . . .
H12 H 0.578(4) 0.117(6) 0.413(4) 0.044 Uiso 1 1 d R . . . .
C30 C 0.6366(6) 0.5287(9) 0.2070(6) 0.076(3) Uani 1 1 d D . . . .
C31 C 0.6608(6) 0.4653(9) 0.1529(6) 0.064(3) Uani 1 1 d . . . . .
H31 H 0.7144 0.4804 0.1589 0.076 Uiso 1 1 calc R . . . .
C32 C 0.6176(5) 0.3613(11) 0.1041(6) 0.067(3) Uani 1 1 d . . . . .
H32 H 0.6433 0.3075 0.0782 0.080 Uiso 1 1 calc R . . . .
C33 C 0.5493(6) 0.3158(11) 0.1065(6) 0.079(4) Uani 1 1 d D . . . .
C34 C 0.5262(6) 0.3831(13) 0.1607(7) 0.084(4) Uani 1 1 d . . . . .
H34 H 0.4831 0.3487 0.1713 0.100 Uiso 1 1 calc R . . . .
C35 C 0.5665(7) 0.4820(12) 0.2063(7) 0.082(4) Uani 1 1 d . . . . .
H35 H 0.5513 0.5148 0.2492 0.098 Uiso 1 1 calc R . . . .
C37 C 0.6690(10) 0.6461(12) 0.2422(8) 0.054(4) Uani 0.619(10) 1 d D U P A 1
H37 H 0.7233 0.6511 0.2480 0.065 Uiso 0.619(10) 1 calc R . P A 1
C37X C 0.6915(16) 0.631(2) 0.2712(15) 0.054(4) Uani 0.381(10) 1 d D U P A 2
H37A H 0.6656 0.6649 0.3032 0.082 Uiso 0.381(10) 1 calc R . P A 2
H37B H 0.7409 0.5929 0.3092 0.082 Uiso 0.381(10) 1 calc R . P A 2
H37C H 0.7015 0.6982 0.2403 0.082 Uiso 0.381(10) 1 calc R . P A 2
C38 C 0.6203(9) 0.7476(11) 0.1832(8) 0.056(4) Uani 0.619(10) 1 d D U P A 1
H38A H 0.5717 0.7575 0.1881 0.084 Uiso 0.619(10) 1 calc GR . P A 1
H38B H 0.6085 0.7247 0.1260 0.084 Uiso 0.619(10) 1 calc GR . P A 1
H38C H 0.6493 0.8257 0.1976 0.084 Uiso 0.619(10) 1 calc GR . P A 1
C39 C 0.6717(9) 0.6520(12) 0.3262(7) 0.051(4) Uani 0.619(10) 1 d D . P A 1
H39A H 0.6190 0.6430 0.3212 0.076 Uiso 0.619(10) 1 calc GR . P A 1
H39B H 0.6932 0.7320 0.3519 0.076 Uiso 0.619(10) 1 calc GR . P A 1
H39C H 0.7046 0.5849 0.3608 0.076 Uiso 0.619(10) 1 calc GR . P A 1
C38' C 0.4368(14) 0.322(2) -0.0113(14) 0.062(7) Uani 0.381(10) 1 d D U P A 2
H38D H 0.4661 0.3670 -0.0355 0.093 Uiso 0.381(10) 1 calc GR . P A 2
H38E H 0.4163 0.3801 0.0159 0.093 Uiso 0.381(10) 1 calc GR . P A 2
H38F H 0.3936 0.2773 -0.0554 0.093 Uiso 0.381(10) 1 calc GR . P A 2
C37' C 0.5436(13) 0.152(2) 0.0311(15) 0.057(7) Uani 0.381(10) 1 d D U P A 2
H37D H 0.5142 0.0852 -0.0066 0.086 Uiso 0.381(10) 1 calc R . P A 2
H37E H 0.5676 0.2041 0.0041 0.086 Uiso 0.381(10) 1 calc R . P A 2
H37F H 0.5842 0.1165 0.0822 0.086 Uiso 0.381(10) 1 calc R . P A 2
C36 C 0.5140(10) 0.1888(16) 0.0581(12) 0.070(5) Uani 0.619(10) 1 d D U P A 1
H36A H 0.4672 0.1671 0.0642 0.105 Uiso 0.619(10) 1 calc R . P A 1
H36B H 0.5005 0.1992 -0.0010 0.105 Uiso 0.619(10) 1 calc R . P A 1
H36C H 0.5525 0.1225 0.0815 0.105 Uiso 0.619(10) 1 calc R . P A 1
C36X C 0.4900(12) 0.229(2) 0.0522(16) 0.070(5) Uani 0.381(10) 1 d D . P A 2
H36X H 0.4641 0.1820 0.0810 0.084 Uiso 0.381(10) 1 calc R . 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
Ru2' C1' 2.177(7) . ?
Ru2' B3' 2.133(8) . ?
Ru2' B6' 2.200(7) . ?
Ru2' B7' 2.182(8) . ?
Ru2' B11' 2.202(8) . ?
Ru2' C20' 2.272(7) . ?
Ru2' C21' 2.208(7) . ?
Ru2' C22' 2.219(6) . ?
Ru2' C23' 2.254(6) . ?
Ru2' C24' 2.231(7) . ?
Ru2' C25' 2.239(7) . ?
C1' H1' 1.07(7) . ?
C1' B3' 1.723(9) . ?
C1' B4' 1.694(11) . ?
C1' B5' 1.719(10) . ?
C1' B6' 1.753(11) . ?
B3' H3' 1.05(7) . ?
B3' B4' 1.790(11) . ?
B3' B7' 1.821(11) . ?
B3' C8' 1.752(11) . ?
B4' H4' 1.10(7) . ?
B4' B5' 1.769(11) . ?
B4' C8' 1.719(10) . ?
B4' B9' 1.763(12) . ?
B5' H5' 1.12(7) . ?
B5' B6' 1.777(12) . ?
B5' B9' 1.750(12) . ?
B5' B10' 1.756(12) . ?
B6' H6' 1.11(7) . ?
B6' B10' 1.767(12) . ?
B6' B11' 1.796(11) . ?
B7' H7' 1.09(6) . ?
B7' C8' 1.781(10) . ?
B7' B11' 1.782(10) . ?
B7' B12' 1.789(11) . ?
C8' B9' 1.734(9) . ?
C8' B12' 1.733(10) . ?
C8' C1 1.555(9) . ?
B9' H9' 1.18(7) . ?
B9' B10' 1.752(12) . ?
B9' B12' 1.770(11) . ?
B10' H10' 1.12(7) . ?
B10' B11' 1.776(11) . ?
B10' B12' 1.767(10) . ?
B11' H11' 0.98(7) . ?
B11' B12' 1.759(12) . ?
B12' H12' 1.04(7) . ?
C20' C21' 1.414(9) . ?
C20' C25' 1.398(10) . ?
C20' C27' 1.523(9) . ?
C21' H21' 1.0000 . ?
C21' C22' 1.420(9) . ?
C22' H22' 1.0000 . ?
C22' C23' 1.431(10) . ?
C23' C24' 1.409(9) . ?
C23' C26' 1.501(9) . ?
C24' H24' 1.0000 . ?
C24' C25' 1.407(9) . ?
C25' H25' 1.0000 . ?
C26' H26A 0.9800 . ?
C26' H26B 0.9800 . ?
C26' H26C 0.9800 . ?
C27' H27' 1.0000 . ?
C27' C28' 1.544(11) . ?
C27' C29' 1.526(9) . ?
C28' H28A 0.9800 . ?
C28' H28B 0.9800 . ?
C28' H28C 0.9800 . ?
C29' H29A 0.9800 . ?
C29' H29B 0.9800 . ?
C29' H29C 0.9800 . ?
Ru3 C1 2.292(7) . ?
Ru3 C2 2.200(8) . ?
Ru3 B4 2.212(9) . ?
Ru3 B7 2.183(9) . ?
Ru3 B8 2.178(9) . ?
Ru3 C30 2.286(9) . ?
Ru3 C31 2.314(7) . ?
Ru3 C32 2.300(8) . ?
Ru3 C33 2.282(10) . ?
Ru3 C34 2.171(9) . ?
Ru3 C35 2.175(9) . ?
C1 C2 1.634(10) . ?
C1 B4 1.717(12) . ?
C1 B5 1.733(11) . ?
C1 B6 1.748(10) . ?
C2 H2 0.97(8) . ?
C2 B6 1.740(11) . ?
C2 B7 1.760(12) . ?
C2 B11 1.730(10) . ?
B4 H4 1.05(7) . ?
B4 B5 1.744(12) . ?
B4 B8 1.806(13) . ?
B4 B9 1.768(12) . ?
B5 H5 0.99(7) . ?
B5 B6 1.755(12) . ?
B5 B9 1.753(13) . ?
B5 B10 1.783(11) . ?
B6 H6 1.02(7) . ?
B6 B10 1.739(12) . ?
B6 B11 1.739(12) . ?
B7 H7 0.95(8) . ?
B7 B8 1.826(14) . ?
B7 B11 1.783(13) . ?
B7 B12 1.795(13) . ?
B8 H8 0.98(7) . ?
B8 B9 1.791(13) . ?
B8 B12 1.770(11) . ?
B9 H9 1.16(7) . ?
B9 B10 1.789(12) . ?
B9 B12 1.796(12) . ?
B10 H10 1.26(7) . ?
B10 B11 1.754(14) . ?
B10 B12 1.780(12) . ?
B11 H11 1.03(7) . ?
B11 B12 1.786(12) . ?
B12 H12 1.19(7) . ?
C30 C31 1.422(12) . ?
C30 C35 1.432(15) . ?
C30 C37 1.429(15) . ?
C30 C37X 1.607(18) . ?
C31 H31 1.0000 . ?
C31 C32 1.439(14) . ?
C32 H32 1.0000 . ?
C32 C33 1.417(13) . ?
C33 C34 1.432(15) . ?
C33 C36 1.602(15) . ?
C33 C36X 1.460(18) . ?
C34 H34 1.0000 . ?
C34 C35 1.358(16) . ?
C35 H35 1.0000 . ?
C37 H37 1.0000 . ?
C37 C38 1.522(14) . ?
C37 C39 1.486(15) . ?
C37X H37A 0.9800 . ?
C37X H37B 0.9800 . ?
C37X H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C38' H38D 0.9800 . ?
C38' H38E 0.9800 . ?
C38' H38F 0.9800 . ?
C38' C36X 1.517(18) . ?
C37' H37D 0.9800 . ?
C37' H37E 0.9800 . ?
C37' H37F 0.9800 . ?
C37' C36X 1.497(18) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C36X H36X 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
C1' Ru2' B6' 47.2(3) . . ?
C1' Ru2' B7' 81.9(3) . . ?
C1' Ru2' B11' 80.4(3) . . ?
C1' Ru2' C20' 120.4(2) . . ?
C1' Ru2' C21' 153.8(2) . . ?
C1' Ru2' C22' 167.1(2) . . ?
C1' Ru2' C23' 130.6(3) . . ?
C1' Ru2' C24' 105.8(3) . . ?
C1' Ru2' C25' 101.8(3) . . ?
B3' Ru2' C1' 47.1(3) . . ?
B3' Ru2' B6' 83.1(3) . . ?
B3' Ru2' B7' 49.9(3) . . ?
B3' Ru2' B11' 83.1(3) . . ?
B3' Ru2' C20' 160.1(3) . . ?
B3' Ru2' C21' 158.9(2) . . ?
B3' Ru2' C22' 122.6(3) . . ?
B3' Ru2' C23' 98.7(3) . . ?
B3' Ru2' C24' 100.3(3) . . ?
B3' Ru2' C25' 124.9(3) . . ?
B6' Ru2' B11' 48.2(3) . . ?
B6' Ru2' C20' 97.3(3) . . ?
B6' Ru2' C21' 112.5(3) . . ?
B6' Ru2' C22' 145.4(3) . . ?
B6' Ru2' C23' 173.7(3) . . ?
B6' Ru2' C24' 137.2(3) . . ?
B6' Ru2' C25' 107.8(3) . . ?
B7' Ru2' B6' 83.5(3) . . ?
B7' Ru2' B11' 48.0(3) . . ?
B7' Ru2' C20' 150.0(3) . . ?
B7' Ru2' C21' 115.5(3) . . ?
B7' Ru2' C22' 95.9(3) . . ?
B7' Ru2' C23' 102.3(3) . . ?
B7' Ru2' C24' 130.9(3) . . ?
B7' Ru2' C25' 167.6(2) . . ?
B11' Ru2' C20' 112.1(3) . . ?
B11' Ru2' C21' 96.6(3) . . ?
B11' Ru2' C22' 107.7(3) . . ?
B11' Ru2' C23' 138.0(3) . . ?
B11' Ru2' C24' 173.8(3) . . ?
B11' Ru2' C25' 144.1(3) . . ?
C21' Ru2' C20' 36.8(2) . . ?
C21' Ru2' C22' 37.4(2) . . ?
C21' Ru2' C23' 67.4(2) . . ?
C21' Ru2' C24' 78.3(3) . . ?
C21' Ru2' C25' 65.6(2) . . ?
C22' Ru2' C20' 66.6(2) . . ?
C22' Ru2' C23' 37.3(3) . . ?
C22' Ru2' C24' 66.1(2) . . ?
C22' Ru2' C25' 77.7(2) . . ?
C23' Ru2' C20' 78.9(2) . . ?
C24' Ru2' C20' 66.0(2) . . ?
C24' Ru2' C23' 36.6(2) . . ?
C24' Ru2' C25' 36.7(2) . . ?
C25' Ru2' C20' 36.1(2) . . ?
C25' Ru2' C23' 66.2(2) . . ?
Ru2' C1' H1' 117(4) . . ?
B3' C1' Ru2' 65.1(3) . . ?
B3' C1' H1' 124(4) . . ?
B3' C1' B6' 111.5(5) . . ?
B4' C1' Ru2' 123.0(5) . . ?
B4' C1' H1' 111(4) . . ?
B4' C1' B3' 63.2(4) . . ?
B4' C1' B5' 62.4(5) . . ?
B4' C1' B6' 112.6(6) . . ?
B5' C1' Ru2' 123.3(5) . . ?
B5' C1' H1' 109(4) . . ?
B5' C1' B3' 113.7(6) . . ?
B5' C1' B6' 61.6(5) . . ?
B6' C1' Ru2' 67.1(3) . . ?
B6' C1' H1' 121(4) . . ?
Ru2' B3' H3' 114(4) . . ?
C1' B3' Ru2' 67.8(4) . . ?
C1' B3' H3' 126(4) . . ?
C1' B3' B4' 57.6(4) . . ?
C1' B3' B7' 107.5(5) . . ?
C1' B3' C8' 102.3(5) . . ?
B4' B3' Ru2' 120.5(5) . . ?
B4' B3' H3' 116(4) . . ?
B4' B3' B7' 108.0(6) . . ?
B7' B3' Ru2' 66.5(4) . . ?
B7' B3' H3' 123(4) . . ?
C8' B3' Ru2' 118.8(5) . . ?
C8' B3' H3' 118(3) . . ?
C8' B3' B4' 58.0(4) . . ?
C8' B3' B7' 59.8(4) . . ?
C1' B4' B3' 59.2(4) . . ?
C1' B4' H4' 125(4) . . ?
C1' B4' B5' 59.5(5) . . ?
C1' B4' C8' 104.9(6) . . ?
C1' B4' B9' 106.1(6) . . ?
B3' B4' H4' 120(4) . . ?
B5' B4' B3' 108.1(6) . . ?
B5' B4' H4' 124(3) . . ?
C8' B4' B3' 59.9(4) . . ?
C8' B4' H4' 121(4) . . ?
C8' B4' B5' 106.4(6) . . ?
C8' B4' B9' 59.7(4) . . ?
B9' B4' B3' 108.6(6) . . ?
B9' B4' H4' 121(4) . . ?
B9' B4' B5' 59.4(5) . . ?
C1' B5' B4' 58.1(4) . . ?
C1' B5' H5' 119(4) . . ?
C1' B5' B6' 60.1(4) . . ?
C1' B5' B9' 105.6(5) . . ?
C1' B5' B10' 106.4(6) . . ?
B4' B5' H5' 117(4) . . ?
B4' B5' B6' 107.9(5) . . ?
B6' B5' H5' 124(4) . . ?
B9' B5' B4' 60.1(5) . . ?
B9' B5' H5' 123(4) . . ?
B9' B5' B6' 108.2(6) . . ?
B9' B5' B10' 60.0(5) . . ?
B10' B5' B4' 107.8(6) . . ?
B10' B5' H5' 128(4) . . ?
B10' B5' B6' 60.0(5) . . ?
Ru2' B6' H6' 117(4) . . ?
C1' B6' Ru2' 65.7(3) . . ?
C1' B6' B5' 58.3(4) . . ?
C1' B6' H6' 124(3) . . ?
C1' B6' B10' 104.5(6) . . ?
C1' B6' B11' 105.6(5) . . ?
B5' B6' Ru2' 119.1(5) . . ?
B5' B6' H6' 113(4) . . ?
B5' B6' B11' 107.4(6) . . ?
B10' B6' Ru2' 119.3(5) . . ?
B10' B6' B5' 59.4(5) . . ?
B10' B6' H6' 116(4) . . ?
B10' B6' B11' 59.8(5) . . ?
B11' B6' Ru2' 66.0(3) . . ?
B11' B6' H6' 127(4) . . ?
Ru2' B7' H7' 123(3) . . ?
B3' B7' Ru2' 63.6(4) . . ?
B3' B7' H7' 122(3) . . ?
C8' B7' Ru2' 115.1(4) . . ?
C8' B7' B3' 58.2(4) . . ?
C8' B7' H7' 111(3) . . ?
C8' B7' B11' 103.8(5) . . ?
C8' B7' B12' 58.1(4) . . ?
B11' B7' Ru2' 66.6(4) . . ?
B11' B7' B3' 105.9(5) . . ?
B11' B7' H7' 130(3) . . ?
B11' B7' B12' 59.0(4) . . ?
B12' B7' Ru2' 118.6(4) . . ?
B12' B7' B3' 105.6(5) . . ?
B12' B7' H7' 113(3) . . ?
B3' C8' B7' 62.0(4) . . ?
B4' C8' B3' 62.1(4) . . ?
B4' C8' B7' 113.1(5) . . ?
B4' C8' B9' 61.4(4) . . ?
B4' C8' B12' 111.6(5) . . ?
B9' C8' B3' 111.7(5) . . ?
B9' C8' B7' 112.1(5) . . ?
B12' C8' B3' 111.1(5) . . ?
B12' C8' B7' 61.2(4) . . ?
B12' C8' B9' 61.4(4) . . ?
C1 C8' B3' 120.7(5) . . ?
C1 C8' B4' 118.0(6) . . ?
C1 C8' B7' 120.5(5) . . ?
C1 C8' B9' 117.8(6) . . ?
C1 C8' B12' 119.9(6) . . ?
B4' B9' H9' 113(3) . . ?
B4' B9' B12' 107.8(5) . . ?
B5' B9' B4' 60.5(5) . . ?
B5' B9' H9' 131(3) . . ?
B5' B9' B10' 60.2(5) . . ?
B5' B9' B12' 108.5(6) . . ?
C8' B9' B4' 58.9(4) . . ?
C8' B9' B5' 106.6(5) . . ?
C8' B9' H9' 108(3) . . ?
C8' B9' B10' 106.4(5) . . ?
C8' B9' B12' 59.3(4) . . ?
B10' B9' B4' 108.3(6) . . ?
B10' B9' H9' 136(3) . . ?
B10' B9' B12' 60.2(5) . . ?
B12' B9' H9' 119(3) . . ?
B5' B10' B6' 60.6(5) . . ?
B5' B10' H10' 123(3) . . ?
B5' B10' B11' 109.2(6) . . ?
B5' B10' B12' 108.3(6) . . ?
B6' B10' H10' 117(3) . . ?
B6' B10' B11' 60.9(4) . . ?
B6' B10' B12' 108.4(5) . . ?
B9' B10' B5' 59.8(5) . . ?
B9' B10' B6' 108.5(6) . . ?
B9' B10' H10' 127(3) . . ?
B9' B10' B11' 108.4(5) . . ?
B9' B10' B12' 60.4(4) . . ?
B11' B10' H10' 117(3) . . ?
B12' B10' H10' 123(3) . . ?
B12' B10' B11' 59.5(5) . . ?
Ru2' B11' H11' 125(4) . . ?
B6' B11' Ru2' 65.9(4) . . ?
B6' B11' H11' 131(4) . . ?
B7' B11' Ru2' 65.4(4) . . ?
B7' B11' B6' 109.3(6) . . ?
B7' B11' H11' 118(4) . . ?
B10' B11' Ru2' 118.8(5) . . ?
B10' B11' B6' 59.3(4) . . ?
B10' B11' B7' 109.2(6) . . ?
B10' B11' H11' 111(4) . . ?
B12' B11' Ru2' 118.9(5) . . ?
B12' B11' B6' 107.5(6) . . ?
B12' B11' B7' 60.7(4) . . ?
B12' B11' B10' 60.0(4) . . ?
B12' B11' H11' 105(4) . . ?
B7' B12' H12' 127(4) . . ?
C8' B12' B7' 60.7(4) . . ?
C8' B12' B9' 59.3(4) . . ?
C8' B12' B10' 105.8(5) . . ?
C8' B12' B11' 106.8(6) . . ?
C8' B12' H12' 115(4) . . ?
B9' B12' B7' 110.0(5) . . ?
B9' B12' H12' 109(4) . . ?
B10' B12' B7' 109.3(6) . . ?
B10' B12' B9' 59.4(5) . . ?
B10' B12' H12' 121(4) . . ?
B11' B12' B7' 60.3(4) . . ?
B11' B12' B9' 108.4(6) . . ?
B11' B12' B10' 60.5(4) . . ?
B11' B12' H12' 133(4) . . ?
C21' C20' Ru2' 69.2(4) . . ?
C21' C20' C27' 118.6(6) . . ?
C25' C20' Ru2' 70.7(4) . . ?
C25' C20' C21' 117.9(6) . . ?
C25' C20' C27' 123.5(6) . . ?
C27' C20' Ru2' 129.8(5) . . ?
Ru2' C21' H21' 119.3 . . ?
C20' C21' Ru2' 74.0(4) . . ?
C20' C21' H21' 119.3 . . ?
C20' C21' C22' 120.8(6) . . ?
C22' C21' Ru2' 71.7(4) . . ?
C22' C21' H21' 119.3 . . ?
Ru2' C22' H22' 119.2 . . ?
C21' C22' Ru2' 70.9(4) . . ?
C21' C22' H22' 119.2 . . ?
C21' C22' C23' 120.7(6) . . ?
C23' C22' Ru2' 72.7(4) . . ?
C23' C22' H22' 119.2 . . ?
C22' C23' Ru2' 70.0(4) . . ?
C22' C23' C26' 120.4(6) . . ?
C24' C23' Ru2' 70.8(4) . . ?
C24' C23' C22' 117.4(6) . . ?
C24' C23' C26' 122.1(6) . . ?
C26' C23' Ru2' 129.7(5) . . ?
Ru2' C24' H24' 119.0 . . ?
C23' C24' Ru2' 72.6(4) . . ?
C23' C24' H24' 119.0 . . ?
C25' C24' Ru2' 72.0(4) . . ?
C25' C24' C23' 121.2(6) . . ?
C25' C24' H24' 119.0 . . ?
Ru2' C25' H25' 118.5 . . ?
C20' C25' Ru2' 73.2(4) . . ?
C20' C25' C24' 121.9(6) . . ?
C20' C25' H25' 118.5 . . ?
C24' C25' Ru2' 71.3(4) . . ?
C24' C25' H25' 118.5 . . ?
C23' C26' H26A 109.5 . . ?
C23' C26' H26B 109.5 . . ?
C23' C26' H26C 109.5 . . ?
H26A C26' H26B 109.5 . . ?
H26A C26' H26C 109.5 . . ?
H26B C26' H26C 109.5 . . ?
C20' C27' H27' 107.8 . . ?
C20' C27' C28' 108.8(6) . . ?
C20' C27' C29' 114.0(6) . . ?
C28' C27' H27' 107.8 . . ?
C29' C27' H27' 107.8 . . ?
C29' C27' C28' 110.4(6) . . ?
C27' C28' H28A 109.5 . . ?
C27' C28' H28B 109.5 . . ?
C27' C28' H28C 109.5 . . ?
H28A C28' H28B 109.5 . . ?
H28A C28' H28C 109.5 . . ?
H28B C28' H28C 109.5 . . ?
C27' C29' H29A 109.5 . . ?
C27' C29' H29B 109.5 . . ?
C27' C29' H29C 109.5 . . ?
H29A C29' H29B 109.5 . . ?
H29A C29' H29C 109.5 . . ?
H29B C29' H29C 109.5 . . ?
C1 Ru3 C31 113.2(3) . . ?
C1 Ru3 C32 118.4(3) . . ?
C2 Ru3 C1 42.6(3) . . ?
C2 Ru3 B4 75.6(3) . . ?
C2 Ru3 C30 105.0(4) . . ?
C2 Ru3 C31 120.9(4) . . ?
C2 Ru3 C32 150.7(3) . . ?
C2 Ru3 C33 172.9(3) . . ?
B4 Ru3 C1 44.8(3) . . ?
B4 Ru3 C30 163.8(3) . . ?
B4 Ru3 C31 129.7(3) . . ?
B4 Ru3 C32 105.6(4) . . ?
B4 Ru3 C33 100.8(4) . . ?
B7 Ru3 C1 79.3(3) . . ?
B7 Ru3 C2 47.3(3) . . ?
B7 Ru3 B4 82.2(4) . . ?
B7 Ru3 C30 110.4(4) . . ?
B7 Ru3 C31 145.9(4) . . ?
B7 Ru3 C32 161.2(3) . . ?
B7 Ru3 C33 126.4(3) . . ?
B8 Ru3 C1 79.9(3) . . ?
B8 Ru3 C2 79.8(3) . . ?
B8 Ru3 B4 48.6(3) . . ?
B8 Ru3 B7 49.5(4) . . ?
B8 Ru3 C30 147.6(3) . . ?
B8 Ru3 C31 159.1(4) . . ?
B8 Ru3 C32 123.6(4) . . ?
B8 Ru3 C33 93.2(4) . . ?
C30 Ru3 C1 125.6(3) . . ?
C30 Ru3 C31 36.0(3) . . ?
C30 Ru3 C32 65.8(4) . . ?
C32 Ru3 C31 36.3(3) . . ?
C33 Ru3 C1 137.9(3) . . ?
C33 Ru3 C30 80.2(4) . . ?
C33 Ru3 C31 66.2(4) . . ?
C33 Ru3 C32 36.0(3) . . ?
C34 Ru3 C1 167.3(4) . . ?
C34 Ru3 C2 139.9(4) . . ?
C34 Ru3 B4 123.0(5) . . ?
C34 Ru3 B7 96.7(4) . . ?
C34 Ru3 B8 88.3(4) . . ?
C34 Ru3 C30 67.1(5) . . ?
C34 Ru3 C31 76.9(4) . . ?
C34 Ru3 C32 64.7(3) . . ?
C34 Ru3 C33 37.4(4) . . ?
C34 Ru3 C35 36.4(4) . . ?
C35 Ru3 C1 154.2(4) . . ?
C35 Ru3 C2 114.4(4) . . ?
C35 Ru3 B4 157.2(5) . . ?
C35 Ru3 B7 90.2(4) . . ?
C35 Ru3 B8 111.1(4) . . ?
C35 Ru3 C30 37.3(4) . . ?
C35 Ru3 C31 64.5(3) . . ?
C35 Ru3 C32 76.1(4) . . ?
C35 Ru3 C33 66.7(5) . . ?
C8' C1 Ru3 116.9(4) . . ?
C8' C1 C2 121.6(6) . . ?
C8' C1 B4 126.8(6) . . ?
C8' C1 B5 114.4(6) . . ?
C8' C1 B6 110.4(6) . . ?
C2 C1 Ru3 65.7(4) . . ?
C2 C1 B4 107.7(6) . . ?
C2 C1 B5 109.3(5) . . ?
C2 C1 B6 61.8(4) . . ?
B4 C1 Ru3 65.2(4) . . ?
B4 C1 B5 60.7(5) . . ?
B4 C1 B6 109.7(6) . . ?
B5 C1 Ru3 120.4(5) . . ?
B5 C1 B6 60.6(4) . . ?
B6 C1 Ru3 122.1(4) . . ?
Ru3 C2 H2 111(5) . . ?
C1 C2 Ru3 71.7(4) . . ?
C1 C2 H2 113(5) . . ?
C1 C2 B6 62.3(4) . . ?
C1 C2 B7 114.7(7) . . ?
C1 C2 B11 111.4(6) . . ?
B6 C2 Ru3 127.8(5) . . ?
B6 C2 H2 109(5) . . ?
B6 C2 B7 112.2(6) . . ?
B7 C2 Ru3 65.8(4) . . ?
B7 C2 H2 127(5) . . ?
B11 C2 Ru3 122.5(5) . . ?
B11 C2 H2 118(5) . . ?
B11 C2 B6 60.1(5) . . ?
B11 C2 B7 61.4(5) . . ?
Ru3 B4 H4 101(4) . . ?
C1 B4 Ru3 70.1(4) . . ?
C1 B4 H4 122(4) . . ?
C1 B4 B5 60.1(5) . . ?
C1 B4 B8 109.1(6) . . ?
C1 B4 B9 107.8(6) . . ?
B5 B4 Ru3 124.3(6) . . ?
B5 B4 H4 125(4) . . ?
B5 B4 B8 109.0(6) . . ?
B5 B4 B9 59.9(5) . . ?
B8 B4 Ru3 64.7(4) . . ?
B8 B4 H4 118(4) . . ?
B9 B4 Ru3 120.2(6) . . ?
B9 B4 H4 123(4) . . ?
B9 B4 B8 60.1(5) . . ?
C1 B5 B4 59.2(5) . . ?
C1 B5 H5 123(4) . . ?
C1 B5 B6 60.1(4) . . ?
C1 B5 B9 107.7(6) . . ?
C1 B5 B10 106.5(6) . . ?
B4 B5 H5 118(4) . . ?
B4 B5 B6 108.1(6) . . ?
B4 B5 B9 60.7(5) . . ?
B4 B5 B10 108.3(6) . . ?
B6 B5 H5 125(4) . . ?
B6 B5 B10 58.9(5) . . ?
B9 B5 H5 118(4) . . ?
B9 B5 B6 108.5(6) . . ?
B9 B5 B10 60.8(5) . . ?
B10 B5 H5 124(4) . . ?
C1 B6 B5 59.3(4) . . ?
C1 B6 H6 114(4) . . ?
C2 B6 C1 55.9(4) . . ?
C2 B6 B5 103.5(6) . . ?
C2 B6 H6 120(4) . . ?
B5 B6 H6 120(4) . . ?
B10 B6 C1 107.8(6) . . ?
B10 B6 C2 106.2(6) . . ?
B10 B6 B5 61.3(5) . . ?
B10 B6 H6 130(4) . . ?
B10 B6 B11 60.6(5) . . ?
B11 B6 C1 105.7(6) . . ?
B11 B6 C2 59.6(5) . . ?
B11 B6 B5 108.7(7) . . ?
B11 B6 H6 128(4) . . ?
Ru3 B7 H7 106(5) . . ?
C2 B7 Ru3 66.8(4) . . ?
C2 B7 H7 121(5) . . ?
C2 B7 B8 103.1(6) . . ?
C2 B7 B11 58.4(5) . . ?
C2 B7 B12 103.9(6) . . ?
B8 B7 Ru3 65.1(4) . . ?
B8 B7 H7 128(5) . . ?
B11 B7 Ru3 120.7(5) . . ?
B11 B7 H7 120(5) . . ?
B11 B7 B8 106.1(7) . . ?
B11 B7 B12 59.9(5) . . ?
B12 B7 Ru3 118.7(6) . . ?
B12 B7 H7 126(5) . . ?
B12 B7 B8 58.5(5) . . ?
Ru3 B8 H8 107(4) . . ?
B4 B8 Ru3 66.7(4) . . ?
B4 B8 B7 105.4(7) . . ?
B4 B8 H8 122(4) . . ?
B7 B8 Ru3 65.4(4) . . ?
B7 B8 H8 124(4) . . ?
B9 B8 Ru3 120.8(6) . . ?
B9 B8 B4 58.9(5) . . ?
B9 B8 B7 107.8(6) . . ?
B9 B8 H8 120(4) . . ?
B12 B8 Ru3 120.2(6) . . ?
B12 B8 B4 106.2(6) . . ?
B12 B8 B7 59.9(5) . . ?
B12 B8 H8 122(4) . . ?
B12 B8 B9 60.6(5) . . ?
B4 B9 B8 61.0(5) . . ?
B4 B9 H9 115(4) . . ?
B4 B9 B10 107.0(6) . . ?
B4 B9 B12 106.7(6) . . ?
B5 B9 B4 59.4(5) . . ?
B5 B9 B8 109.2(7) . . ?
B5 B9 H9 113(3) . . ?
B5 B9 B10 60.4(5) . . ?
B5 B9 B12 107.8(6) . . ?
B8 B9 H9 125(3) . . ?
B8 B9 B12 59.1(5) . . ?
B10 B9 B8 107.8(6) . . ?
B10 B9 H9 123(3) . . ?
B10 B9 B12 59.5(5) . . ?
B12 B9 H9 132(4) . . ?
B5 B10 B9 58.8(5) . . ?
B5 B10 H10 120(3) . . ?
B6 B10 B5 59.8(5) . . ?
B6 B10 B9 107.6(6) . . ?
B6 B10 H10 119(3) . . ?
B6 B10 B11 59.7(5) . . ?
B6 B10 B12 108.8(6) . . ?
B9 B10 H10 122(3) . . ?
B11 B10 B5 106.8(6) . . ?
B11 B10 B9 108.1(6) . . ?
B11 B10 H10 123(3) . . ?
B11 B10 B12 60.7(5) . . ?
B12 B10 B5 107.3(6) . . ?
B12 B10 B9 60.4(5) . . ?
B12 B10 H10 124(3) . . ?
C2 B11 B6 60.2(4) . . ?
C2 B11 B7 60.1(5) . . ?
C2 B11 B10 106.0(6) . . ?
C2 B11 H11 112(4) . . ?
C2 B11 B12 105.6(6) . . ?
B6 B11 B7 111.2(6) . . ?
B6 B11 B10 59.7(5) . . ?
B6 B11 H11 121(4) . . ?
B6 B11 B12 108.5(6) . . ?
B7 B11 H11 111(4) . . ?
B7 B11 B12 60.4(5) . . ?
B10 B11 B7 110.1(6) . . ?
B10 B11 H11 134(4) . . ?
B10 B11 B12 60.4(5) . . ?
B12 B11 H11 128(4) . . ?
B7 B12 B9 109.0(6) . . ?
B7 B12 H12 120(3) . . ?
B8 B12 B7 61.6(5) . . ?
B8 B12 B9 60.3(5) . . ?
B8 B12 B10 109.2(6) . . ?
B8 B12 B11 108.4(6) . . ?
B8 B12 H12 123(3) . . ?
B9 B12 H12 125(3) . . ?
B10 B12 B7 108.4(6) . . ?
B10 B12 B9 60.0(5) . . ?
B10 B12 B11 58.9(5) . . ?
B10 B12 H12 120(3) . . ?
B11 B12 B7 59.7(5) . . ?
B11 B12 B9 106.5(6) . . ?
B11 B12 H12 120(3) . . ?
C31 C30 Ru3 73.1(5) . . ?
C31 C30 C35 114.5(10) . . ?
C31 C30 C37 121.2(11) . . ?
C31 C30 C37X 120.7(14) . . ?
C35 C30 Ru3 67.1(5) . . ?
C35 C30 C37X 124.3(14) . . ?
C37 C30 Ru3 141.3(8) . . ?
C37 C30 C35 122.7(11) . . ?
C37X C30 Ru3 122.4(11) . . ?
Ru3 C31 H31 118.7 . . ?
C30 C31 Ru3 70.9(5) . . ?
C30 C31 H31 118.7 . . ?
C30 C31 C32 121.1(9) . . ?
C32 C31 Ru3 71.3(5) . . ?
C32 C31 H31 118.7 . . ?
Ru3 C32 H32 117.8 . . ?
C31 C32 Ru3 72.4(5) . . ?
C31 C32 H32 117.8 . . ?
C33 C32 Ru3 71.3(5) . . ?
C33 C32 C31 122.9(9) . . ?
C33 C32 H32 117.8 . . ?
C32 C33 Ru3 72.7(5) . . ?
C32 C33 C34 114.4(11) . . ?
C32 C33 C36 117.1(11) . . ?
C32 C33 C36X 131.3(15) . . ?
C34 C33 Ru3 67.1(6) . . ?
C34 C33 C36 128.1(12) . . ?
C34 C33 C36X 113.1(14) . . ?
C36 C33 Ru3 123.2(9) . . ?
C36X C33 Ru3 138.2(12) . . ?
Ru3 C34 H34 118.3 . . ?
C33 C34 Ru3 75.5(5) . . ?
C33 C34 H34 118.3 . . ?
C35 C34 Ru3 71.9(6) . . ?
C35 C34 C33 122.9(11) . . ?
C35 C34 H34 118.3 . . ?
Ru3 C35 H35 117.4 . . ?
C30 C35 Ru3 75.5(5) . . ?
C30 C35 H35 117.4 . . ?
C34 C35 Ru3 71.6(6) . . ?
C34 C35 C30 124.2(10) . . ?
C34 C35 H35 117.4 . . ?
C30 C37 H37 108.9 . . ?
C30 C37 C38 108.5(11) . . ?
C30 C37 C39 107.4(11) . . ?
C38 C37 H37 108.9 . . ?
C39 C37 H37 108.9 . . ?
C39 C37 C38 114.1(12) . . ?
C30 C37X H37A 109.5 . . ?
C30 C37X H37B 109.5 . . ?
C30 C37X H37C 109.5 . . ?
H37A C37X H37B 109.5 . . ?
H37A C37X H37C 109.5 . . ?
H37B C37X H37C 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
H38D C38' H38E 109.5 . . ?
H38D C38' H38F 109.5 . . ?
H38E C38' H38F 109.5 . . ?
C36X C38' H38D 109.5 . . ?
C36X C38' H38E 109.5 . . ?
C36X C38' H38F 109.5 . . ?
H37D C37' H37E 109.5 . . ?
H37D C37' H37F 109.5 . . ?
H37E C37' H37F 109.5 . . ?
C36X C37' H37D 109.5 . . ?
C36X C37' H37E 109.5 . . ?
C36X C37' H37F 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C33 C36X C38' 98.5(17) . . ?
C33 C36X C37' 95.9(16) . . ?
C33 C36X H36X 113.6 . . ?
C38' C36X H36X 113.6 . . ?
C37' C36X C38' 119(2) . . ?
C37' C36X H36X 113.6 . . ?

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
Ru2' C1' B3' B4' 155.1(5) . . . . ?
Ru2' C1' B3' B7' 54.5(4) . . . . ?
Ru2' C1' B3' C8' 116.4(5) . . . . ?
Ru2' C1' B4' B3' -27.1(5) . . . . ?
Ru2' C1' B4' B5' 113.5(6) . . . . ?
Ru2' C1' B4' C8' 13.1(7) . . . . ?
Ru2' C1' B4' B9' 75.3(6) . . . . ?
Ru2' C1' B5' B4' -113.0(6) . . . . ?
Ru2' C1' B5' B6' 27.8(5) . . . . ?
Ru2' C1' B5' B9' -74.6(7) . . . . ?
Ru2' C1' B5' B10' -11.9(8) . . . . ?
Ru2' C1' B6' B5' -155.0(5) . . . . ?
Ru2' C1' B6' B10' -116.0(5) . . . . ?
Ru2' C1' B6' B11' -53.9(4) . . . . ?
Ru2' B3' B4' C1' 26.9(5) . . . . ?
Ru2' B3' B4' B5' -8.2(8) . . . . ?
Ru2' B3' B4' C8' -107.0(6) . . . . ?
Ru2' B3' B4' B9' -71.1(7) . . . . ?
Ru2' B3' B7' C8' 149.7(4) . . . . ?
Ru2' B3' B7' B11' 53.0(5) . . . . ?
Ru2' B3' B7' B12' 114.6(5) . . . . ?
Ru2' B3' C8' B4' 109.8(5) . . . . ?
Ru2' B3' C8' B7' -31.9(4) . . . . ?
Ru2' B3' C8' B9' 72.4(6) . . . . ?
Ru2' B3' C8' B12' 5.9(7) . . . . ?
Ru2' B3' C8' C1 -142.5(5) . . . . ?
Ru2' B6' B10' B5' -108.4(6) . . . . ?
Ru2' B6' B10' B9' -71.3(7) . . . . ?
Ru2' B6' B10' B11' 29.9(5) . . . . ?
Ru2' B6' B10' B12' -7.3(8) . . . . ?
Ru2' B6' B11' B7' -50.2(5) . . . . ?
Ru2' B6' B11' B10' -151.6(5) . . . . ?
Ru2' B6' B11' B12' -114.5(5) . . . . ?
Ru2' B7' C8' B3' 30.0(4) . . . . ?
Ru2' B7' C8' B4' -6.6(6) . . . . ?
Ru2' B7' C8' B9' -73.7(6) . . . . ?
Ru2' B7' C8' B12' -109.3(5) . . . . ?
Ru2' B7' C8' C1 141.0(5) . . . . ?
Ru2' B7' B11' B6' 50.5(5) . . . . ?
Ru2' B7' B11' B10' 113.6(5) . . . . ?
Ru2' B7' B11' B12' 150.2(5) . . . . ?
Ru2' B7' B12' C8' 103.2(5) . . . . ?
Ru2' B7' B12' B9' 69.0(7) . . . . ?
Ru2' B7' B12' B10' 5.5(7) . . . . ?
Ru2' B7' B12' B11' -31.3(5) . . . . ?
Ru2' B11' B12' B7' 31.1(5) . . . . ?
Ru2' B11' B12' C8' -9.4(7) . . . . ?
Ru2' B11' B12' B9' -71.9(6) . . . . ?
Ru2' B11' B12' B10' -108.4(6) . . . . ?
Ru2' C20' C21' C22' 56.5(6) . . . . ?
Ru2' C20' C25' C24' -54.4(6) . . . . ?
Ru2' C20' C27' C28' 158.2(5) . . . . ?
Ru2' C20' C27' C29' -78.0(8) . . . . ?
Ru2' C21' C22' C23' 55.2(6) . . . . ?
Ru2' C22' C23' C24' 54.3(6) . . . . ?
Ru2' C22' C23' C26' -125.1(6) . . . . ?
Ru2' C23' C24' C25' 55.3(6) . . . . ?
Ru2' C24' C25' C20' 55.3(6) . . . . ?
C1' B3' B4' B5' -35.1(5) . . . . ?
C1' B3' B4' C8' -133.9(6) . . . . ?
C1' B3' B4' B9' -98.0(6) . . . . ?
C1' B3' B7' Ru2' -55.3(4) . . . . ?
C1' B3' B7' C8' 94.3(5) . . . . ?
C1' B3' B7' B11' -2.3(7) . . . . ?
C1' B3' B7' B12' 59.3(7) . . . . ?
C1' B3' C8' B4' 38.5(5) . . . . ?
C1' B3' C8' B7' -103.2(5) . . . . ?
C1' B3' C8' B9' 1.1(7) . . . . ?
C1' B3' C8' B12' -65.4(6) . . . . ?
C1' B3' C8' C1 146.2(6) . . . . ?
C1' B4' B5' B6' -35.2(5) . . . . ?
C1' B4' B5' B9' -136.3(6) . . . . ?
C1' B4' B5' B10' -98.5(6) . . . . ?
C1' B4' C8' B3' -39.8(5) . . . . ?
C1' B4' C8' B7' -3.3(7) . . . . ?
C1' B4' C8' B9' 100.1(6) . . . . ?
C1' B4' C8' B12' 63.4(7) . . . . ?
C1' B4' C8' C1 -151.8(6) . . . . ?
C1' B4' B9' B5' 38.3(5) . . . . ?
C1' B4' B9' C8' -98.2(6) . . . . ?
C1' B4' B9' B10' 0.3(7) . . . . ?
C1' B4' B9' B12' -63.3(6) . . . . ?
C1' B5' B6' Ru2' -26.2(5) . . . . ?
C1' B5' B6' B10' -135.0(5) . . . . ?
C1' B5' B6' B11' -97.9(5) . . . . ?
C1' B5' B9' B4' -37.5(5) . . . . ?
C1' B5' B9' C8' 0.4(8) . . . . ?
C1' B5' B9' B10' 100.2(6) . . . . ?
C1' B5' B9' B12' 62.9(7) . . . . ?
C1' B5' B10' B6' 39.7(5) . . . . ?
C1' B5' B10' B9' -98.8(6) . . . . ?
C1' B5' B10' B11' 1.7(7) . . . . ?
C1' B5' B10' B12' -61.5(7) . . . . ?
C1' B6' B10' B5' -38.4(5) . . . . ?
C1' B6' B10' B9' -1.3(6) . . . . ?
C1' B6' B10' B11' 99.9(5) . . . . ?
C1' B6' B10' B12' 62.7(7) . . . . ?
C1' B6' B11' Ru2' 53.7(4) . . . . ?
C1' B6' B11' B7' 3.5(8) . . . . ?
C1' B6' B11' B10' -97.9(6) . . . . ?
C1' B6' B11' B12' -60.8(7) . . . . ?
B3' C1' B4' B5' 140.6(6) . . . . ?
B3' C1' B4' C8' 40.2(5) . . . . ?
B3' C1' B4' B9' 102.4(6) . . . . ?
B3' C1' B5' B4' -38.2(6) . . . . ?
B3' C1' B5' B6' 102.6(6) . . . . ?
B3' C1' B5' B9' 0.3(8) . . . . ?
B3' C1' B5' B10' 62.9(7) . . . . ?
B3' C1' B6' Ru2' 48.8(5) . . . . ?
B3' C1' B6' B5' -106.2(6) . . . . ?
B3' C1' B6' B10' -67.2(6) . . . . ?
B3' C1' B6' B11' -5.1(8) . . . . ?
B3' B4' B5' C1' 35.0(5) . . . . ?
B3' B4' B5' B6' -0.2(8) . . . . ?
B3' B4' B5' B9' -101.3(6) . . . . ?
B3' B4' B5' B10' -63.5(7) . . . . ?
B3' B4' C8' B7' 36.5(5) . . . . ?
B3' B4' C8' B9' 140.0(6) . . . . ?
B3' B4' C8' B12' 103.3(6) . . . . ?
B3' B4' C8' C1 -111.9(6) . . . . ?
B3' B4' B9' B5' 100.5(6) . . . . ?
B3' B4' B9' C8' -35.9(5) . . . . ?
B3' B4' B9' B10' 62.6(7) . . . . ?
B3' B4' B9' B12' -1.1(8) . . . . ?
B3' B7' C8' B4' -36.5(5) . . . . ?
B3' B7' C8' B9' -103.7(6) . . . . ?
B3' B7' C8' B12' -139.3(5) . . . . ?
B3' B7' C8' C1 111.1(6) . . . . ?
B3' B7' B11' Ru2' -51.3(4) . . . . ?
B3' B7' B11' B6' -0.8(8) . . . . ?
B3' B7' B11' B10' 62.4(7) . . . . ?
B3' B7' B11' B12' 98.9(6) . . . . ?
B3' B7' B12' C8' 35.1(5) . . . . ?
B3' B7' B12' B9' 0.9(7) . . . . ?
B3' B7' B12' B10' -62.6(7) . . . . ?
B3' B7' B12' B11' -99.4(6) . . . . ?
B3' C8' B9' B4' 37.7(6) . . . . ?
B3' C8' B9' B5' -1.0(8) . . . . ?
B3' C8' B9' B10' -64.0(7) . . . . ?
B3' C8' B9' B12' -103.0(6) . . . . ?
B3' C8' B12' B7' -38.1(5) . . . . ?
B3' C8' B12' B9' 103.9(6) . . . . ?
B3' C8' B12' B10' 65.5(6) . . . . ?
B3' C8' B12' B11' 2.2(7) . . . . ?
B3' C8' C1 Ru3 -179.8(4) . . . . ?
B3' C8' C1 C2 103.5(7) . . . . ?
B3' C8' C1 B4 -101.8(8) . . . . ?
B3' C8' C1 B5 -31.2(8) . . . . ?
B3' C8' C1 B6 34.8(8) . . . . ?
B4' C1' B3' Ru2' -155.1(5) . . . . ?
B4' C1' B3' B7' -100.6(6) . . . . ?
B4' C1' B3' C8' -38.7(5) . . . . ?
B4' C1' B5' B6' 140.8(6) . . . . ?
B4' C1' B5' B9' 38.5(6) . . . . ?
B4' C1' B5' B10' 101.1(6) . . . . ?
B4' C1' B6' Ru2' 117.6(5) . . . . ?
B4' C1' B6' B5' -37.4(5) . . . . ?
B4' C1' B6' B10' 1.6(7) . . . . ?
B4' C1' B6' B11' 63.8(7) . . . . ?
B4' B3' B7' Ru2' -116.1(5) . . . . ?
B4' B3' B7' C8' 33.5(5) . . . . ?
B4' B3' B7' B11' -63.1(7) . . . . ?
B4' B3' B7' B12' -1.5(7) . . . . ?
B4' B3' C8' B7' -141.7(5) . . . . ?
B4' B3' C8' B9' -37.5(6) . . . . ?
B4' B3' C8' B12' -104.0(6) . . . . ?
B4' B3' C8' C1 107.7(7) . . . . ?
B4' B5' B6' Ru2' 8.2(8) . . . . ?
B4' B5' B6' C1' 34.3(5) . . . . ?
B4' B5' B6' B10' -100.7(6) . . . . ?
B4' B5' B6' B11' -63.6(7) . . . . ?
B4' B5' B9' C8' 38.0(5) . . . . ?
B4' B5' B9' B10' 137.7(6) . . . . ?
B4' B5' B9' B12' 100.4(6) . . . . ?
B4' B5' B10' B6' 100.8(6) . . . . ?
B4' B5' B10' B9' -37.8(5) . . . . ?
B4' B5' B10' B11' 62.8(7) . . . . ?
B4' B5' B10' B12' -0.5(8) . . . . ?
B4' C8' B9' B5' -38.7(6) . . . . ?
B4' C8' B9' B10' -101.8(6) . . . . ?
B4' C8' B9' B12' -140.7(6) . . . . ?
B4' C8' B12' B7' -105.4(6) . . . . ?
B4' C8' B12' B9' 36.7(6) . . . . ?
B4' C8' B12' B10' -1.7(8) . . . . ?
B4' C8' B12' B11' -65.1(7) . . . . ?
B4' C8' C1 Ru3 -107.3(6) . . . . ?
B4' C8' C1 C2 176.0(6) . . . . ?
B4' C8' C1 B4 -29.3(9) . . . . ?
B4' C8' C1 B5 41.3(8) . . . . ?
B4' C8' C1 B6 107.3(6) . . . . ?
B4' B9' B10' B5' 38.1(5) . . . . ?
B4' B9' B10' B6' 0.6(7) . . . . ?
B4' B9' B10' B11' -64.0(7) . . . . ?
B4' B9' B10' B12' -100.5(6) . . . . ?
B4' B9' B12' B7' 0.1(8) . . . . ?
B4' B9' B12' C8' -34.7(5) . . . . ?
B4' B9' B12' B10' 101.3(6) . . . . ?
B4' B9' B12' B11' 64.4(7) . . . . ?
B5' C1' B3' Ru2' -117.2(6) . . . . ?
B5' C1' B3' B4' 37.9(6) . . . . ?
B5' C1' B3' B7' -62.7(7) . . . . ?
B5' C1' B3' C8' -0.8(7) . . . . ?
B5' C1' B4' B3' -140.6(6) . . . . ?
B5' C1' B4' C8' -100.5(6) . . . . ?
B5' C1' B4' B9' -38.3(5) . . . . ?
B5' C1' B6' Ru2' 155.0(5) . . . . ?
B5' C1' B6' B10' 39.0(5) . . . . ?
B5' C1' B6' B11' 101.1(6) . . . . ?
B5' B4' C8' B3' -101.8(6) . . . . ?
B5' B4' C8' B7' -65.3(7) . . . . ?
B5' B4' C8' B9' 38.1(5) . . . . ?
B5' B4' C8' B12' 1.4(8) . . . . ?
B5' B4' C8' C1 146.3(6) . . . . ?
B5' B4' B9' C8' -136.5(6) . . . . ?
B5' B4' B9' B10' -37.9(5) . . . . ?
B5' B4' B9' B12' -101.6(6) . . . . ?
B5' B6' B10' B9' 37.1(5) . . . . ?
B5' B6' B10' B11' 138.3(6) . . . . ?
B5' B6' B10' B12' 101.1(6) . . . . ?
B5' B6' B11' Ru2' 114.7(5) . . . . ?
B5' B6' B11' B7' 64.5(7) . . . . ?
B5' B6' B11' B10' -36.9(5) . . . . ?
B5' B6' B11' B12' 0.2(7) . . . . ?
B5' B9' B10' B6' -37.4(5) . . . . ?
B5' B9' B10' B11' -102.0(6) . . . . ?
B5' B9' B10' B12' -138.5(6) . . . . ?
B5' B9' B12' B7' -63.9(7) . . . . ?
B5' B9' B12' C8' -98.7(6) . . . . ?
B5' B9' B12' B10' 37.3(5) . . . . ?
B5' B9' B12' B11' 0.4(7) . . . . ?
B5' B10' B11' Ru2' 8.2(8) . . . . ?
B5' B10' B11' B6' 37.9(6) . . . . ?
B5' B10' B11' B7' -63.6(7) . . . . ?
B5' B10' B11' B12' -100.4(6) . . . . ?
B5' B10' B12' B7' 65.3(7) . . . . ?
B5' B10' B12' C8' 1.3(7) . . . . ?
B5' B10' B12' B9' -37.1(5) . . . . ?
B5' B10' B12' B11' 102.0(6) . . . . ?
B6' C1' B3' Ru2' -49.9(5) . . . . ?
B6' C1' B3' B4' 105.2(6) . . . . ?
B6' C1' B3' B7' 4.6(8) . . . . ?
B6' C1' B3' C8' 66.5(6) . . . . ?
B6' C1' B4' B3' -103.6(6) . . . . ?
B6' C1' B4' B5' 37.0(5) . . . . ?
B6' C1' B4' C8' -63.4(6) . . . . ?
B6' C1' B4' B9' -1.2(7) . . . . ?
B6' C1' B5' B4' -140.8(6) . . . . ?
B6' C1' B5' B9' -102.3(6) . . . . ?
B6' C1' B5' B10' -39.7(5) . . . . ?
B6' B5' B9' B4' -100.6(6) . . . . ?
B6' B5' B9' C8' -62.7(7) . . . . ?
B6' B5' B9' B10' 37.1(5) . . . . ?
B6' B5' B9' B12' -0.2(7) . . . . ?
B6' B5' B10' B9' -138.6(5) . . . . ?
B6' B5' B10' B11' -38.0(5) . . . . ?
B6' B5' B10' B12' -101.3(6) . . . . ?
B6' B10' B11' Ru2' -29.6(5) . . . . ?
B6' B10' B11' B7' -101.5(6) . . . . ?
B6' B10' B11' B12' -138.3(6) . . . . ?
B6' B10' B12' B7' 1.1(8) . . . . ?
B6' B10' B12' C8' -62.9(7) . . . . ?
B6' B10' B12' B9' -101.3(6) . . . . ?
B6' B10' B12' B11' 37.8(6) . . . . ?
B6' B11' B12' B7' 102.7(6) . . . . ?
B6' B11' B12' C8' 62.2(6) . . . . ?
B6' B11' B12' B9' -0.3(7) . . . . ?
B6' B11' B12' B10' -36.8(5) . . . . ?
B7' B3' B4' C1' 99.7(6) . . . . ?
B7' B3' B4' B5' 64.6(7) . . . . ?
B7' B3' B4' C8' -34.2(5) . . . . ?
B7' B3' B4' B9' 1.6(7) . . . . ?
B7' B3' C8' B4' 141.7(5) . . . . ?
B7' B3' C8' B9' 104.3(6) . . . . ?
B7' B3' C8' B12' 37.8(5) . . . . ?
B7' B3' C8' C1 -110.6(6) . . . . ?
B7' C8' B9' B4' 105.2(6) . . . . ?
B7' C8' B9' B5' 66.5(7) . . . . ?
B7' C8' B9' B10' 3.4(7) . . . . ?
B7' C8' B9' B12' -35.5(5) . . . . ?
B7' C8' B12' B9' 142.1(5) . . . . ?
B7' C8' B12' B10' 103.6(6) . . . . ?
B7' C8' B12' B11' 40.3(5) . . . . ?
B7' C8' C1 Ru3 106.7(6) . . . . ?
B7' C8' C1 C2 30.0(9) . . . . ?
B7' C8' C1 B4 -175.4(6) . . . . ?
B7' C8' C1 B5 -104.7(7) . . . . ?
B7' C8' C1 B6 -38.8(8) . . . . ?
B7' B11' B12' C8' -40.5(5) . . . . ?
B7' B11' B12' B9' -103.1(6) . . . . ?
B7' B11' B12' B10' -139.5(6) . . . . ?
C8' B3' B4' C1' 133.9(6) . . . . ?
C8' B3' B4' B5' 98.8(6) . . . . ?
C8' B3' B4' B9' 35.9(5) . . . . ?
C8' B3' B7' Ru2' -149.7(4) . . . . ?
C8' B3' B7' B11' -96.6(6) . . . . ?
C8' B3' B7' B12' -35.1(5) . . . . ?
C8' B4' B5' C1' 98.0(6) . . . . ?
C8' B4' B5' B6' 62.8(7) . . . . ?
C8' B4' B5' B9' -38.3(5) . . . . ?
C8' B4' B5' B10' -0.6(7) . . . . ?
C8' B4' B9' B5' 136.5(6) . . . . ?
C8' B4' B9' B10' 98.5(6) . . . . ?
C8' B4' B9' B12' 34.9(5) . . . . ?
C8' B7' B11' Ru2' -111.7(4) . . . . ?
C8' B7' B11' B6' -61.2(7) . . . . ?
C8' B7' B11' B10' 2.0(7) . . . . ?
C8' B7' B11' B12' 38.5(5) . . . . ?
C8' B7' B12' B9' -34.3(5) . . . . ?
C8' B7' B12' B10' -97.8(6) . . . . ?
C8' B7' B12' B11' -134.6(5) . . . . ?
C8' B9' B10' B5' 100.0(6) . . . . ?
C8' B9' B10' B6' 62.6(7) . . . . ?
C8' B9' B10' B11' -2.0(7) . . . . ?
C8' B9' B10' B12' -38.5(5) . . . . ?
C8' B9' B12' B7' 34.8(5) . . . . ?
C8' B9' B12' B10' 136.0(6) . . . . ?
C8' B9' B12' B11' 99.1(6) . . . . ?
C8' C1 C2 Ru3 107.8(6) . . . . ?
C8' C1 C2 B6 -97.7(7) . . . . ?
C8' C1 C2 B7 159.0(6) . . . . ?
C8' C1 C2 B11 -133.6(6) . . . . ?
C8' C1 B4 Ru3 -106.1(6) . . . . ?
C8' C1 B4 B5 99.9(7) . . . . ?
C8' C1 B4 B8 -158.7(6) . . . . ?
C8' C1 B4 B9 137.5(7) . . . . ?
C8' C1 B5 B4 -120.0(7) . . . . ?
C8' C1 B5 B6 100.5(7) . . . . ?
C8' C1 B5 B9 -157.9(6) . . . . ?
C8' C1 B5 B10 138.2(6) . . . . ?
C8' C1 B6 C2 115.8(7) . . . . ?
C8' C1 B6 B5 -107.2(6) . . . . ?
C8' C1 B6 B10 -146.3(6) . . . . ?
C8' C1 B6 B11 150.1(6) . . . . ?
B9' B4' B5' C1' 136.3(6) . . . . ?
B9' B4' B5' B6' 101.1(6) . . . . ?
B9' B4' B5' B10' 37.7(6) . . . . ?
B9' B4' C8' B3' -140.0(6) . . . . ?
B9' B4' C8' B7' -103.4(6) . . . . ?
B9' B4' C8' B12' -36.7(6) . . . . ?
B9' B4' C8' C1 108.1(6) . . . . ?
B9' B5' B6' Ru2' 71.7(7) . . . . ?
B9' B5' B6' C1' 97.9(6) . . . . ?
B9' B5' B6' B10' -37.1(5) . . . . ?
B9' B5' B6' B11' 0.0(7) . . . . ?
B9' B5' B10' B6' 138.6(5) . . . . ?
B9' B5' B10' B11' 100.6(6) . . . . ?
B9' B5' B10' B12' 37.3(5) . . . . ?
B9' C8' B12' B7' -142.1(5) . . . . ?
B9' C8' B12' B10' -38.4(5) . . . . ?
B9' C8' B12' B11' -101.8(6) . . . . ?
B9' C8' C1 Ru3 -36.7(7) . . . . ?
B9' C8' C1 C2 -113.4(7) . . . . ?
B9' C8' C1 B4 41.3(9) . . . . ?
B9' C8' C1 B5 111.9(7) . . . . ?
B9' C8' C1 B6 177.9(6) . . . . ?
B9' B10' B11' Ru2' 71.8(7) . . . . ?
B9' B10' B11' B6' 101.5(6) . . . . ?
B9' B10' B11' B7' 0.0(8) . . . . ?
B9' B10' B11' B12' -36.9(5) . . . . ?
B9' B10' B12' B7' 102.4(6) . . . . ?
B9' B10' B12' C8' 38.4(5) . . . . ?
B9' B10' B12' B11' 139.1(6) . . . . ?
B10' B5' B6' Ru2' 108.8(6) . . . . ?
B10' B5' B6' C1' 135.0(5) . . . . ?
B10' B5' B6' B11' 37.1(5) . . . . ?
B10' B5' B9' B4' -137.7(6) . . . . ?
B10' B5' B9' C8' -99.8(6) . . . . ?
B10' B5' B9' B12' -37.3(5) . . . . ?
B10' B6' B11' Ru2' 151.6(5) . . . . ?
B10' B6' B11' B7' 101.4(6) . . . . ?
B10' B6' B11' B12' 37.1(5) . . . . ?
B10' B9' B12' B7' -101.2(6) . . . . ?
B10' B9' B12' C8' -136.0(6) . . . . ?
B10' B9' B12' B11' -36.9(5) . . . . ?
B10' B11' B12' B7' 139.5(6) . . . . ?
B10' B11' B12' C8' 99.0(6) . . . . ?
B10' B11' B12' B9' 36.5(5) . . . . ?
B11' B6' B10' B5' -138.3(6) . . . . ?
B11' B6' B10' B9' -101.2(6) . . . . ?
B11' B6' B10' B12' -37.1(6) . . . . ?
B11' B7' C8' B3' 100.3(5) . . . . ?
B11' B7' C8' B4' 63.8(6) . . . . ?
B11' B7' C8' B9' -3.4(7) . . . . ?
B11' B7' C8' B12' -39.0(5) . . . . ?
B11' B7' C8' C1 -148.6(6) . . . . ?
B11' B7' B12' C8' 134.6(5) . . . . ?
B11' B7' B12' B9' 100.3(6) . . . . ?
B11' B7' B12' B10' 36.8(5) . . . . ?
B11' B10' B12' B7' -36.7(6) . . . . ?
B11' B10' B12' C8' -100.7(6) . . . . ?
B11' B10' B12' B9' -139.1(6) . . . . ?
B12' B7' C8' B3' 139.3(5) . . . . ?
B12' B7' C8' B4' 102.8(6) . . . . ?
B12' B7' C8' B9' 35.6(5) . . . . ?
B12' B7' C8' C1 -109.6(6) . . . . ?
B12' B7' B11' Ru2' -150.2(5) . . . . ?
B12' B7' B11' B6' -99.7(6) . . . . ?
B12' B7' B11' B10' -36.5(5) . . . . ?
B12' C8' B9' B4' 140.7(6) . . . . ?
B12' C8' B9' B5' 102.0(7) . . . . ?
B12' C8' B9' B10' 38.9(5) . . . . ?
B12' C8' C1 Ru3 34.6(8) . . . . ?
B12' C8' C1 C2 -42.2(9) . . . . ?
B12' C8' C1 B4 112.5(7) . . . . ?
B12' C8' C1 B5 -176.9(5) . . . . ?
B12' C8' C1 B6 -110.9(6) . . . . ?
B12' B9' B10' B5' 138.5(6) . . . . ?
B12' B9' B10' B6' 101.1(6) . . . . ?
B12' B9' B10' B11' 36.5(5) . . . . ?
B12' B10' B11' Ru2' 108.7(6) . . . . ?
B12' B10' B11' B6' 138.3(6) . . . . ?
B12' B10' B11' B7' 36.8(5) . . . . ?
C20' C21' C22' Ru2' -57.7(6) . . . . ?
C20' C21' C22' C23' -2.5(10) . . . . ?
C21' C20' C25' Ru2' 52.3(6) . . . . ?
C21' C20' C25' C24' -2.1(10) . . . . ?
C21' C20' C27' C28' 72.4(8) . . . . ?
C21' C20' C27' C29' -163.9(6) . . . . ?
C21' C22' C23' Ru2' -54.3(6) . . . . ?
C21' C22' C23' C24' 0.0(10) . . . . ?
C21' C22' C23' C26' -179.4(6) . . . . ?
C22' C23' C24' Ru2' -53.9(6) . . . . ?
C22' C23' C24' C25' 1.4(10) . . . . ?
C23' C24' C25' Ru2' -55.6(6) . . . . ?
C23' C24' C25' C20' -0.4(10) . . . . ?
C25' C20' C21' Ru2' -53.0(6) . . . . ?
C25' C20' C21' C22' 3.5(10) . . . . ?
C25' C20' C27' C28' -109.8(8) . . . . ?
C25' C20' C27' C29' 14.0(10) . . . . ?
C26' C23' C24' Ru2' 125.5(7) . . . . ?
C26' C23' C24' C25' -179.2(6) . . . . ?
C27' C20' C21' Ru2' 124.9(6) . . . . ?
C27' C20' C21' C22' -178.5(6) . . . . ?
C27' C20' C25' Ru2' -125.5(6) . . . . ?
C27' C20' C25' C24' -180.0(6) . . . . ?
Ru3 C1 C2 B6 154.5(5) . . . . ?
Ru3 C1 C2 B7 51.2(5) . . . . ?
Ru3 C1 C2 B11 118.6(6) . . . . ?
Ru3 C1 B4 B5 -154.0(5) . . . . ?
Ru3 C1 B4 B8 -52.6(5) . . . . ?
Ru3 C1 B4 B9 -116.4(6) . . . . ?
Ru3 C1 B5 B4 27.4(5) . . . . ?
Ru3 C1 B5 B6 -112.1(5) . . . . ?
Ru3 C1 B5 B9 -10.5(7) . . . . ?
Ru3 C1 B5 B10 -74.4(6) . . . . ?
Ru3 C1 B6 C2 -27.6(5) . . . . ?
Ru3 C1 B6 B5 109.4(6) . . . . ?
Ru3 C1 B6 B10 70.3(7) . . . . ?
Ru3 C1 B6 B11 6.7(8) . . . . ?
Ru3 C2 B6 C1 31.2(6) . . . . ?
Ru3 C2 B6 B5 -5.9(8) . . . . ?
Ru3 C2 B6 B10 -69.6(7) . . . . ?
Ru3 C2 B6 B11 -109.8(7) . . . . ?
Ru3 C2 B7 B8 55.2(4) . . . . ?
Ru3 C2 B7 B11 156.2(6) . . . . ?
Ru3 C2 B7 B12 115.6(5) . . . . ?
Ru3 C2 B11 B6 118.2(7) . . . . ?
Ru3 C2 B11 B7 -25.9(6) . . . . ?
Ru3 C2 B11 B10 78.4(7) . . . . ?
Ru3 C2 B11 B12 15.4(8) . . . . ?
Ru3 B4 B5 C1 -29.9(5) . . . . ?
Ru3 B4 B5 B6 6.4(9) . . . . ?
Ru3 B4 B5 B9 107.9(7) . . . . ?
Ru3 B4 B5 B10 68.7(8) . . . . ?
Ru3 B4 B8 B7 -53.9(5) . . . . ?
Ru3 B4 B8 B9 -155.8(6) . . . . ?
Ru3 B4 B8 B12 -116.4(6) . . . . ?
Ru3 B4 B9 B5 -114.6(7) . . . . ?
Ru3 B4 B9 B8 25.4(6) . . . . ?
Ru3 B4 B9 B10 -75.9(7) . . . . ?
Ru3 B4 B9 B12 -13.4(8) . . . . ?
Ru3 B7 B8 B4 54.7(5) . . . . ?
Ru3 B7 B8 B9 116.4(6) . . . . ?
Ru3 B7 B8 B12 154.8(5) . . . . ?
Ru3 B7 B11 C2 25.5(6) . . . . ?
Ru3 B7 B11 B6 -7.6(9) . . . . ?
Ru3 B7 B11 B10 -71.9(8) . . . . ?
Ru3 B7 B11 B12 -107.5(7) . . . . ?
Ru3 B7 B12 B8 -26.1(6) . . . . ?
Ru3 B7 B12 B9 12.5(8) . . . . ?
Ru3 B7 B12 B10 76.2(7) . . . . ?
Ru3 B7 B12 B11 110.9(6) . . . . ?
Ru3 B8 B9 B4 -26.0(6) . . . . ?
Ru3 B8 B9 B5 9.8(8) . . . . ?
Ru3 B8 B9 B10 73.9(7) . . . . ?
Ru3 B8 B9 B12 109.6(7) . . . . ?
Ru3 B8 B12 B7 26.6(6) . . . . ?
Ru3 B8 B12 B9 -110.7(7) . . . . ?
Ru3 B8 B12 B10 -74.4(8) . . . . ?
Ru3 B8 B12 B11 -11.8(9) . . . . ?
Ru3 C30 C31 C32 52.8(7) . . . . ?
Ru3 C30 C35 C34 -55.3(9) . . . . ?
Ru3 C30 C37 C38 -168.3(10) . . . . ?
Ru3 C30 C37 C39 -45(2) . . . . ?
Ru3 C31 C32 C33 52.7(8) . . . . ?
Ru3 C32 C33 C34 53.9(7) . . . . ?
Ru3 C32 C33 C36 -119.0(10) . . . . ?
Ru3 C32 C33 C36X -140.0(16) . . . . ?
Ru3 C33 C34 C35 56.7(9) . . . . ?
Ru3 C33 C36X C38' 159.0(14) . . . . ?
Ru3 C33 C36X C37' -80(2) . . . . ?
Ru3 C34 C35 C30 57.0(9) . . . . ?
C1 C8' B9' B4' -108.5(7) . . . . ?
C1 C8' B9' B5' -147.2(6) . . . . ?
C1 C8' B9' B10' 149.7(6) . . . . ?
C1 C8' B9' B12' 110.7(7) . . . . ?
C1 C8' B12' B7' 110.6(6) . . . . ?
C1 C8' B12' B9' -107.4(7) . . . . ?
C1 C8' B12' B10' -145.8(6) . . . . ?
C1 C8' B12' B11' 150.9(6) . . . . ?
C1 C2 B6 B5 -37.1(5) . . . . ?
C1 C2 B6 B10 -100.8(6) . . . . ?
C1 C2 B6 B11 -141.0(7) . . . . ?
C1 C2 B7 Ru3 -54.2(5) . . . . ?
C1 C2 B7 B8 1.0(8) . . . . ?
C1 C2 B7 B11 102.0(7) . . . . ?
C1 C2 B7 B12 61.3(7) . . . . ?
C1 C2 B11 B6 36.8(6) . . . . ?
C1 C2 B11 B7 -107.3(7) . . . . ?
C1 C2 B11 B10 -3.0(8) . . . . ?
C1 C2 B11 B12 -66.0(8) . . . . ?
C1 B4 B5 B6 36.3(5) . . . . ?
C1 B4 B5 B9 137.8(6) . . . . ?
C1 B4 B5 B10 98.6(6) . . . . ?
C1 B4 B8 Ru3 55.7(5) . . . . ?
C1 B4 B8 B7 1.8(8) . . . . ?
C1 B4 B8 B9 -100.0(7) . . . . ?
C1 B4 B8 B12 -60.7(8) . . . . ?
C1 B4 B9 B5 -37.7(6) . . . . ?
C1 B4 B9 B8 102.3(7) . . . . ?
C1 B4 B9 B10 1.0(8) . . . . ?
C1 B4 B9 B12 63.5(7) . . . . ?
C1 B5 B6 C2 35.5(5) . . . . ?
C1 B5 B6 B10 136.8(6) . . . . ?
C1 B5 B6 B11 97.6(6) . . . . ?
C1 B5 B9 B4 37.3(6) . . . . ?
C1 B5 B9 B8 0.7(8) . . . . ?
C1 B5 B9 B10 -99.3(6) . . . . ?
C1 B5 B9 B12 -62.0(7) . . . . ?
C1 B5 B10 B6 -38.2(6) . . . . ?
C1 B5 B10 B9 101.4(7) . . . . ?
C1 B5 B10 B11 0.1(8) . . . . ?
C1 B5 B10 B12 63.9(7) . . . . ?
C1 B6 B10 B5 38.2(5) . . . . ?
C1 B6 B10 B9 2.7(8) . . . . ?
C1 B6 B10 B11 -98.4(6) . . . . ?
C1 B6 B10 B12 -61.3(7) . . . . ?
C1 B6 B11 C2 -32.8(6) . . . . ?
C1 B6 B11 B7 0.4(9) . . . . ?
C1 B6 B11 B10 101.9(6) . . . . ?
C1 B6 B11 B12 65.0(7) . . . . ?
C2 C1 B4 Ru3 51.4(4) . . . . ?
C2 C1 B4 B5 -102.6(6) . . . . ?
C2 C1 B4 B8 -1.2(7) . . . . ?
C2 C1 B4 B9 -65.0(7) . . . . ?
C2 C1 B5 B4 99.9(7) . . . . ?
C2 C1 B5 B6 -39.6(6) . . . . ?
C2 C1 B5 B9 62.0(7) . . . . ?
C2 C1 B5 B10 -1.9(8) . . . . ?
C2 C1 B6 B5 137.0(7) . . . . ?
C2 C1 B6 B10 97.9(7) . . . . ?
C2 C1 B6 B11 34.3(6) . . . . ?
C2 B6 B10 B5 96.8(6) . . . . ?
C2 B6 B10 B9 61.3(7) . . . . ?
C2 B6 B10 B11 -39.8(5) . . . . ?
C2 B6 B10 B12 -2.6(7) . . . . ?
C2 B6 B11 B7 33.1(6) . . . . ?
C2 B6 B11 B10 134.6(6) . . . . ?
C2 B6 B11 B12 97.7(6) . . . . ?
C2 B7 B8 Ru3 -56.4(4) . . . . ?
C2 B7 B8 B4 -1.6(7) . . . . ?
C2 B7 B8 B9 60.0(7) . . . . ?
C2 B7 B8 B12 98.4(6) . . . . ?
C2 B7 B11 B6 -33.2(6) . . . . ?
C2 B7 B11 B10 -97.4(6) . . . . ?
C2 B7 B11 B12 -133.0(6) . . . . ?
C2 B7 B12 B8 -97.0(6) . . . . ?
C2 B7 B12 B9 -58.4(7) . . . . ?
C2 B7 B12 B10 5.3(7) . . . . ?
C2 B7 B12 B11 39.9(5) . . . . ?
C2 B11 B12 B7 -41.2(6) . . . . ?
C2 B11 B12 B8 -1.9(8) . . . . ?
C2 B11 B12 B9 61.6(7) . . . . ?
C2 B11 B12 B10 99.8(6) . . . . ?
B4 C1 C2 Ru3 -51.1(5) . . . . ?
B4 C1 C2 B6 103.4(6) . . . . ?
B4 C1 C2 B7 0.1(8) . . . . ?
B4 C1 C2 B11 67.5(7) . . . . ?
B4 C1 B5 B6 -139.5(6) . . . . ?
B4 C1 B5 B9 -38.0(6) . . . . ?
B4 C1 B5 B10 -101.8(7) . . . . ?
B4 C1 B6 C2 -100.0(6) . . . . ?
B4 C1 B6 B5 37.0(6) . . . . ?
B4 C1 B6 B10 -2.1(8) . . . . ?
B4 C1 B6 B11 -65.7(7) . . . . ?
B4 B5 B6 C1 -35.9(5) . . . . ?
B4 B5 B6 C2 -0.4(7) . . . . ?
B4 B5 B6 B10 100.9(7) . . . . ?
B4 B5 B6 B11 61.7(7) . . . . ?
B4 B5 B9 B8 -36.5(6) . . . . ?
B4 B5 B9 B10 -136.6(7) . . . . ?
B4 B5 B9 B12 -99.2(7) . . . . ?
B4 B5 B10 B6 -100.5(7) . . . . ?
B4 B5 B10 B9 39.2(6) . . . . ?
B4 B5 B10 B11 -62.2(8) . . . . ?
B4 B5 B10 B12 1.6(8) . . . . ?
B4 B8 B9 B5 35.9(6) . . . . ?
B4 B8 B9 B10 100.0(7) . . . . ?
B4 B8 B9 B12 135.6(7) . . . . ?
B4 B8 B12 B7 98.7(7) . . . . ?
B4 B8 B12 B9 -38.6(6) . . . . ?
B4 B8 B12 B10 -2.3(8) . . . . ?
B4 B8 B12 B11 60.3(8) . . . . ?
B4 B9 B10 B5 -38.2(6) . . . . ?
B4 B9 B10 B6 -2.3(8) . . . . ?
B4 B9 B10 B11 60.8(7) . . . . ?
B4 B9 B10 B12 99.7(7) . . . . ?
B4 B9 B12 B7 0.5(8) . . . . ?
B4 B9 B12 B8 39.7(6) . . . . ?
B4 B9 B12 B10 -100.2(7) . . . . ?
B4 B9 B12 B11 -62.5(7) . . . . ?
B5 C1 C2 Ru3 -115.5(5) . . . . ?
B5 C1 C2 B6 39.0(6) . . . . ?
B5 C1 C2 B7 -64.3(8) . . . . ?
B5 C1 C2 B11 3.1(8) . . . . ?
B5 C1 B4 Ru3 154.0(5) . . . . ?
B5 C1 B4 B8 101.4(7) . . . . ?
B5 C1 B4 B9 37.6(6) . . . . ?
B5 C1 B6 C2 -137.0(7) . . . . ?
B5 C1 B6 B10 -39.1(6) . . . . ?
B5 C1 B6 B11 -102.7(7) . . . . ?
B5 B4 B8 Ru3 119.7(6) . . . . ?
B5 B4 B8 B7 65.8(8) . . . . ?
B5 B4 B8 B9 -36.0(6) . . . . ?
B5 B4 B8 B12 3.3(9) . . . . ?
B5 B4 B9 B8 140.0(7) . . . . ?
B5 B4 B9 B10 38.7(6) . . . . ?
B5 B4 B9 B12 101.2(7) . . . . ?
B5 B6 B10 B9 -35.5(6) . . . . ?
B5 B6 B10 B11 -136.6(6) . . . . ?
B5 B6 B10 B12 -99.5(6) . . . . ?
B5 B6 B11 C2 -95.1(6) . . . . ?
B5 B6 B11 B7 -62.0(8) . . . . ?
B5 B6 B11 B10 39.5(5) . . . . ?
B5 B6 B11 B12 2.6(7) . . . . ?
B5 B9 B10 B6 35.9(6) . . . . ?
B5 B9 B10 B11 99.0(6) . . . . ?
B5 B9 B10 B12 137.9(6) . . . . ?
B5 B9 B12 B7 63.0(7) . . . . ?
B5 B9 B12 B8 102.2(7) . . . . ?
B5 B9 B12 B10 -37.7(5) . . . . ?
B5 B9 B12 B11 0.0(8) . . . . ?
B5 B10 B11 C2 1.7(8) . . . . ?
B5 B10 B11 B6 -38.3(6) . . . . ?
B5 B10 B11 B7 65.1(7) . . . . ?
B5 B10 B11 B12 100.7(6) . . . . ?
B5 B10 B12 B7 -65.0(8) . . . . ?
B5 B10 B12 B8 0.5(8) . . . . ?
B5 B10 B12 B9 36.9(6) . . . . ?
B5 B10 B12 B11 -99.9(6) . . . . ?
B6 C1 C2 Ru3 -154.5(5) . . . . ?
B6 C1 C2 B7 -103.3(7) . . . . ?
B6 C1 C2 B11 -35.9(6) . . . . ?
B6 C1 B4 Ru3 117.1(5) . . . . ?
B6 C1 B4 B5 -36.9(6) . . . . ?
B6 C1 B4 B8 64.5(7) . . . . ?
B6 C1 B4 B9 0.7(8) . . . . ?
B6 C1 B5 B4 139.5(6) . . . . ?
B6 C1 B5 B9 101.6(6) . . . . ?
B6 C1 B5 B10 37.7(6) . . . . ?
B6 C2 B7 Ru3 -122.8(6) . . . . ?
B6 C2 B7 B8 -67.6(7) . . . . ?
B6 C2 B7 B11 33.4(6) . . . . ?
B6 C2 B7 B12 -7.2(8) . . . . ?
B6 C2 B11 B7 -144.0(7) . . . . ?
B6 C2 B11 B10 -39.7(6) . . . . ?
B6 C2 B11 B12 -102.7(7) . . . . ?
B6 B5 B9 B4 100.9(6) . . . . ?
B6 B5 B9 B8 64.3(7) . . . . ?
B6 B5 B9 B10 -35.7(5) . . . . ?
B6 B5 B9 B12 1.6(8) . . . . ?
B6 B5 B10 B9 139.7(7) . . . . ?
B6 B5 B10 B11 38.3(6) . . . . ?
B6 B5 B10 B12 102.1(7) . . . . ?
B6 B10 B11 C2 40.0(6) . . . . ?
B6 B10 B11 B7 103.4(6) . . . . ?
B6 B10 B11 B12 139.1(6) . . . . ?
B6 B10 B12 B7 -1.8(8) . . . . ?
B6 B10 B12 B8 63.7(8) . . . . ?
B6 B10 B12 B9 100.1(6) . . . . ?
B6 B10 B12 B11 -36.7(5) . . . . ?
B6 B11 B12 B7 -104.4(6) . . . . ?
B6 B11 B12 B8 -65.1(8) . . . . ?
B6 B11 B12 B9 -1.6(8) . . . . ?
B6 B11 B12 B10 36.6(5) . . . . ?
B7 C2 B6 C1 107.1(7) . . . . ?
B7 C2 B6 B5 70.0(7) . . . . ?
B7 C2 B6 B10 6.3(8) . . . . ?
B7 C2 B6 B11 -33.9(6) . . . . ?
B7 C2 B11 B6 144.0(7) . . . . ?
B7 C2 B11 B10 104.3(7) . . . . ?
B7 C2 B11 B12 41.3(6) . . . . ?
B7 B8 B9 B4 -97.6(7) . . . . ?
B7 B8 B9 B5 -61.7(7) . . . . ?
B7 B8 B9 B10 2.4(8) . . . . ?
B7 B8 B9 B12 38.1(5) . . . . ?
B7 B8 B12 B9 -137.3(6) . . . . ?
B7 B8 B12 B10 -101.0(7) . . . . ?
B7 B8 B12 B11 -38.4(6) . . . . ?
B7 B11 B12 B8 39.3(6) . . . . ?
B7 B11 B12 B9 102.8(6) . . . . ?
B7 B11 B12 B10 141.0(6) . . . . ?
B8 B4 B5 C1 -101.7(7) . . . . ?
B8 B4 B5 B6 -65.3(8) . . . . ?
B8 B4 B5 B9 36.1(6) . . . . ?
B8 B4 B5 B10 -3.0(9) . . . . ?
B8 B4 B9 B5 -140.0(7) . . . . ?
B8 B4 B9 B10 -101.3(7) . . . . ?
B8 B4 B9 B12 -38.8(6) . . . . ?
B8 B7 B11 C2 95.7(6) . . . . ?
B8 B7 B11 B6 62.6(8) . . . . ?
B8 B7 B11 B10 -1.7(8) . . . . ?
B8 B7 B11 B12 -37.3(5) . . . . ?
B8 B7 B12 B9 38.6(6) . . . . ?
B8 B7 B12 B10 102.3(6) . . . . ?
B8 B7 B12 B11 137.0(6) . . . . ?
B8 B9 B10 B5 -102.4(7) . . . . ?
B8 B9 B10 B6 -66.5(7) . . . . ?
B8 B9 B10 B11 -3.4(8) . . . . ?
B8 B9 B10 B12 35.5(6) . . . . ?
B8 B9 B12 B7 -39.2(6) . . . . ?
B8 B9 B12 B10 -139.9(6) . . . . ?
B8 B9 B12 B11 -102.2(6) . . . . ?
B9 B4 B5 C1 -137.8(6) . . . . ?
B9 B4 B5 B6 -101.5(7) . . . . ?
B9 B4 B5 B10 -39.2(6) . . . . ?
B9 B4 B8 Ru3 155.8(6) . . . . ?
B9 B4 B8 B7 101.8(7) . . . . ?
B9 B4 B8 B12 39.3(6) . . . . ?
B9 B5 B6 C1 -100.3(6) . . . . ?
B9 B5 B6 C2 -64.8(7) . . . . ?
B9 B5 B6 B10 36.5(6) . . . . ?
B9 B5 B6 B11 -2.6(7) . . . . ?
B9 B5 B10 B6 -139.7(7) . . . . ?
B9 B5 B10 B11 -101.4(7) . . . . ?
B9 B5 B10 B12 -37.6(6) . . . . ?
B9 B8 B12 B7 137.3(6) . . . . ?
B9 B8 B12 B10 36.2(6) . . . . ?
B9 B8 B12 B11 98.9(7) . . . . ?
B9 B10 B11 C2 -60.3(7) . . . . ?
B9 B10 B11 B6 -100.3(6) . . . . ?
B9 B10 B11 B7 3.2(8) . . . . ?
B9 B10 B11 B12 38.8(5) . . . . ?
B9 B10 B12 B7 -101.8(6) . . . . ?
B9 B10 B12 B8 -36.3(6) . . . . ?
B9 B10 B12 B11 -136.8(6) . . . . ?
B10 B5 B6 C1 -136.8(6) . . . . ?
B10 B5 B6 C2 -101.3(6) . . . . ?
B10 B5 B6 B11 -39.2(5) . . . . ?
B10 B5 B9 B4 136.6(7) . . . . ?
B10 B5 B9 B8 100.0(7) . . . . ?
B10 B5 B9 B12 37.3(6) . . . . ?
B10 B6 B11 C2 -134.6(6) . . . . ?
B10 B6 B11 B7 -101.5(7) . . . . ?
B10 B6 B11 B12 -36.9(5) . . . . ?
B10 B9 B12 B7 100.7(7) . . . . ?
B10 B9 B12 B8 139.9(6) . . . . ?
B10 B9 B12 B11 37.7(6) . . . . ?
B10 B11 B12 B7 -141.0(6) . . . . ?
B10 B11 B12 B8 -101.7(6) . . . . ?
B10 B11 B12 B9 -38.2(5) . . . . ?
B11 C2 B6 C1 141.0(7) . . . . ?
B11 C2 B6 B5 103.9(7) . . . . ?
B11 C2 B6 B10 40.2(6) . . . . ?
B11 C2 B7 Ru3 -156.2(6) . . . . ?
B11 C2 B7 B8 -101.0(7) . . . . ?
B11 C2 B7 B12 -40.7(6) . . . . ?
B11 B6 B10 B5 136.6(6) . . . . ?
B11 B6 B10 B9 101.1(7) . . . . ?
B11 B6 B10 B12 37.1(6) . . . . ?
B11 B7 B8 Ru3 -116.9(5) . . . . ?
B11 B7 B8 B4 -62.2(7) . . . . ?
B11 B7 B8 B9 -0.5(8) . . . . ?
B11 B7 B8 B12 37.9(5) . . . . ?
B11 B7 B12 B8 -137.0(6) . . . . ?
B11 B7 B12 B9 -98.4(6) . . . . ?
B11 B7 B12 B10 -34.6(6) . . . . ?
B11 B10 B12 B7 34.9(5) . . . . ?
B11 B10 B12 B8 100.4(7) . . . . ?
B11 B10 B12 B9 136.8(6) . . . . ?
B12 B7 B8 Ru3 -154.8(5) . . . . ?
B12 B7 B8 B4 -100.1(6) . . . . ?
B12 B7 B8 B9 -38.4(6) . . . . ?
B12 B7 B11 C2 133.0(6) . . . . ?
B12 B7 B11 B6 99.9(7) . . . . ?
B12 B7 B11 B10 35.6(6) . . . . ?
B12 B8 B9 B4 -135.6(7) . . . . ?
B12 B8 B9 B5 -99.8(6) . . . . ?
B12 B8 B9 B10 -35.7(6) . . . . ?
B12 B9 B10 B5 -137.9(6) . . . . ?
B12 B9 B10 B6 -102.0(6) . . . . ?
B12 B9 B10 B11 -38.9(5) . . . . ?
B12 B10 B11 C2 -99.1(6) . . . . ?
B12 B10 B11 B6 -139.1(6) . . . . ?
B12 B10 B11 B7 -35.6(5) . . . . ?
C30 C31 C32 Ru3 -52.6(7) . . . . ?
C30 C31 C32 C33 0.0(13) . . . . ?
C31 C30 C35 Ru3 57.4(7) . . . . ?
C31 C30 C35 C34 2.1(13) . . . . ?
C31 C30 C37 C38 89.5(15) . . . . ?
C31 C30 C37 C39 -146.7(11) . . . . ?
C31 C32 C33 Ru3 -53.1(8) . . . . ?
C31 C32 C33 C34 0.8(12) . . . . ?
C31 C32 C33 C36 -172.1(11) . . . . ?
C31 C32 C33 C36X 166.9(15) . . . . ?
C32 C33 C34 Ru3 -56.9(7) . . . . ?
C32 C33 C34 C35 -0.2(13) . . . . ?
C32 C33 C36X C38' -88.1(19) . . . . ?
C32 C33 C36X C37' 32(2) . . . . ?
C33 C34 C35 Ru3 -58.3(9) . . . . ?
C33 C34 C35 C30 -1.3(15) . . . . ?
C34 C33 C36X C38' 78(2) . . . . ?
C34 C33 C36X C37' -161.4(14) . . . . ?
C35 C30 C31 Ru3 -54.2(6) . . . . ?
C35 C30 C31 C32 -1.4(11) . . . . ?
C35 C30 C37 C38 -74.7(14) . . . . ?
C35 C30 C37 C39 49.0(15) . . . . ?
C37 C30 C31 Ru3 140.3(10) . . . . ?
C37 C30 C31 C32 -166.9(9) . . . . ?
C37 C30 C35 Ru3 -137.4(9) . . . . ?
C37 C30 C35 C34 167.3(10) . . . . ?
C37X C30 C31 Ru3 118.1(13) . . . . ?
C37X C30 C31 C32 170.9(13) . . . . ?
C37X C30 C35 Ru3 -114.6(14) . . . . ?
C37X C30 C35 C34 -169.9(15) . . . . ?
C36 C33 C34 Ru3 115.1(12) . . . . ?
C36 C33 C34 C35 171.8(12) . . . . ?
C36X C33 C34 Ru3 134.4(13) . . . . ?
C36X C33 C34 C35 -168.9(14) . . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_submission_special_instructions 'No special instructions were received'
