# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_CM2
_database_code_depnum_ccdc_archive 'CCDC 1972767'
loop_
_audit_author_name
_audit_author_address
'Duane Choquesillo-Lazarte'
;Laboratorio de Estudios Cristalograficos, IACT,CSIC
Spain
;
_audit_update_record             
;
2019-12-18 deposited with the CCDC.	2020-05-09 downloaded from the CCDC.
;
_audit_creation_date             2016-11-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.11.07 svn.r3352 for OlexSys, GUI svn.r5261)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H30 B10'
_chemical_formula_sum            'C26 H30 B10'
_chemical_formula_weight         450.60
_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'

_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        P2(1)/c
_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                   10.3008(18)
_cell_length_b                   11.295(3)
_cell_length_c                   22.279(4)
_cell_angle_alpha                90
_cell_angle_beta                 97.941(7)
_cell_angle_gamma                90
_cell_volume                     2567.3(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9340
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.477
_cell_measurement_theta_min      2.578
_shelx_estimated_absorpt_T_max   0.994
_shelx_estimated_absorpt_T_min   0.993
_exptl_absorpt_coefficient_mu    0.060
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1364 before and 0.0416 after correction.
The Ratio of minimum to maximum transmission is 0.6380.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.166
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_unetI/netI     0.0394
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            14553
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.581
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'high brilliance microfocus sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4465
_reflns_number_total             5850
_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       'Bruker Apex3, 2016'
_computing_data_collection       'Bruker Apex3, 2016'
_computing_data_reduction        'SAINT v8.37A (Bruker, 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         0.242
_refine_diff_density_min         -0.177
_refine_diff_density_rms         0.032
_refine_ls_extinction_coef       0.055(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         5850
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0524
_refine_ls_restrained_S_all      1.029
_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)+(0.0641P)²+0.6134P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1287
_refine_ls_wR_factor_ref         0.1405
_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
2.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C28(H28A,H28B)
2.b Aromatic/amide H refined with riding coordinates:
 C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C23(H23), C24(H24),
 C25(H25), C26(H26), C30(H30), C31(H31), C33(H33), C35(H35), C36(H36)
2.c X=CH2 refined with riding coordinates:
 C34(H34A,H34B)
2.d Boron cage BH refined with riding coordinates:
 B2(H2), B3(H3), B4(H4), B5(H5), B6(H6), B8(H8), B9(H9), B10(H10), B11(H11),
 B12(H12)
;
_atom_sites_solution_hydrogens   geom
_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 0.31118(13) 0.81428(11) 0.85435(6) 0.0318(3) Uani 1 1 d . . . . .
B2 B 0.28717(16) 0.91954(14) 0.79928(7) 0.0356(3) Uani 1 1 d . . . . .
H2 H 0.1940 0.9339 0.7696 0.043 Uiso 1 1 calc R . . . .
B3 B 0.38597(15) 0.79312(13) 0.79154(7) 0.0335(3) Uani 1 1 d . . . . .
H3 H 0.3574 0.7252 0.7568 0.040 Uiso 1 1 calc R . . . .
B4 B 0.46712(15) 0.75601(14) 0.86432(7) 0.0359(3) Uani 1 1 d . . . . .
H4 H 0.4904 0.6638 0.8776 0.043 Uiso 1 1 calc R . . . .
B5 B 0.41910(17) 0.85958(15) 0.91629(7) 0.0397(4) Uani 1 1 d . . . . .
H5 H 0.4113 0.8343 0.9633 0.048 Uiso 1 1 calc R . . . .
B6 B 0.30719(17) 0.96008(14) 0.87614(7) 0.0396(4) Uani 1 1 d . . . . .
H6 H 0.2270 1.0000 0.8971 0.048 Uiso 1 1 calc R . . . .
C7 C 0.43754(14) 0.93202(12) 0.77679(6) 0.0368(3) Uani 1 1 d . . . . .
B8 B 0.55066(16) 0.83383(14) 0.81252(8) 0.0390(4) Uani 1 1 d . . . . .
H8 H 0.6298 0.7930 0.7912 0.047 Uiso 1 1 calc R . . . .
B9 B 0.57294(17) 0.87539(15) 0.88985(8) 0.0442(4) Uani 1 1 d . . . . .
H9 H 0.6664 0.8615 0.9194 0.053 Uiso 1 1 calc R . . . .
B10 B 0.47343(18) 1.00195(15) 0.89736(8) 0.0456(4) Uani 1 1 d . . . . .
H10 H 0.5021 1.0702 0.9319 0.055 Uiso 1 1 calc R . . . .
B11 B 0.39098(17) 1.03769(14) 0.82446(8) 0.0420(4) Uani 1 1 d . . . . .
H11 H 0.3665 1.1296 0.8110 0.050 Uiso 1 1 calc R . . . .
B12 B 0.55464(17) 0.98527(15) 0.83260(8) 0.0423(4) Uani 1 1 d . . . . .
H12 H 0.6363 1.0429 0.8242 0.051 Uiso 1 1 calc R . . . .
C13 C 0.19076(13) 0.73923(12) 0.86386(6) 0.0352(3) Uani 1 1 d . . . . .
H13A H 0.1806 0.7424 0.9065 0.042 Uiso 1 1 calc R . . . .
H13B H 0.1137 0.7757 0.8414 0.042 Uiso 1 1 calc R . . . .
C14 C 0.19341(12) 0.61045(12) 0.84530(6) 0.0331(3) Uani 1 1 d . . . . .
C15 C 0.24240(13) 0.52454(12) 0.88839(6) 0.0354(3) Uani 1 1 d . . . . .
C16 C 0.29215(15) 0.55137(14) 0.94998(6) 0.0449(4) Uani 1 1 d . . . . .
H16 H 0.2932 0.6297 0.9628 0.054 Uiso 1 1 calc R . . . .
C17 C 0.33784(17) 0.46624(17) 0.99018(7) 0.0560(4) Uani 1 1 d . . . . .
H17 H 0.3688 0.4869 1.0300 0.067 Uiso 1 1 calc R . . . .
C18 C 0.33891(19) 0.34710(17) 0.97235(8) 0.0621(5) Uani 1 1 d . . . . .
H18 H 0.3718 0.2895 1.0002 0.075 Uiso 1 1 calc R . . . .
C19 C 0.29220(17) 0.31587(15) 0.91472(8) 0.0546(4) Uani 1 1 d . . . . .
H19 H 0.2924 0.2365 0.9036 0.066 Uiso 1 1 calc R . . . .
C20 C 0.24279(14) 0.40224(12) 0.87079(7) 0.0398(3) Uani 1 1 d . . . . .
C21 C 0.19715(14) 0.37088(13) 0.81143(7) 0.0437(4) Uani 1 1 d . . . . .
H21 H 0.1987 0.2916 0.8003 0.052 Uiso 1 1 calc R . . . .
C22 C 0.14920(13) 0.45417(13) 0.76822(6) 0.0387(3) Uani 1 1 d . . . . .
C23 C 0.10725(14) 0.42147(16) 0.70671(7) 0.0495(4) Uani 1 1 d . . . . .
H23 H 0.1132 0.3427 0.6952 0.059 Uiso 1 1 calc R . . . .
C24 C 0.05923(16) 0.50219(18) 0.66498(8) 0.0556(4) Uani 1 1 d . . . . .
H24 H 0.0335 0.4792 0.6250 0.067 Uiso 1 1 calc R . . . .
C25 C 0.04798(16) 0.62121(17) 0.68185(7) 0.0528(4) Uani 1 1 d . . . . .
H25 H 0.0119 0.6760 0.6531 0.063 Uiso 1 1 calc R . . . .
C26 C 0.08908(15) 0.65739(14) 0.73950(7) 0.0446(4) Uani 1 1 d . . . . .
H26 H 0.0814 0.7369 0.7493 0.053 Uiso 1 1 calc R . . . .
C27 C 0.14382(12) 0.57633(12) 0.78552(6) 0.0347(3) Uani 1 1 d . . . . .
C28 C 0.45020(17) 0.96916(16) 0.71129(7) 0.0516(4) Uani 1 1 d . . . . .
H28A H 0.4532 1.0549 0.7096 0.062 Uiso 1 1 calc R . . . .
H28B H 0.5331 0.9398 0.7014 0.062 Uiso 1 1 calc R . . . .
C29 C 0.34278(15) 0.92684(14) 0.66355(6) 0.0444(4) Uani 1 1 d . . . . .
C30 C 0.35597(17) 0.82193(15) 0.63290(7) 0.0519(4) Uani 1 1 d . . . . .
H30 H 0.4328 0.7782 0.6415 0.062 Uiso 1 1 calc R . . . .
C31 C 0.2571(2) 0.78107(19) 0.58983(8) 0.0647(5) Uani 1 1 d . . . . .
H31 H 0.2683 0.7104 0.5697 0.078 Uiso 1 1 calc R . . . .
C32 C 0.14122(19) 0.8440(2) 0.57616(8) 0.0706(6) Uani 1 1 d . . . . .
C33 C 0.0319(3) 0.8016(4) 0.53119(11) 0.1114(11) Uani 1 1 d . . . . .
H33 H -0.0370 0.8546 0.5216 0.134 Uiso 1 1 calc R . . . .
C34 C 0.0195(4) 0.7035(4) 0.50418(14) 0.1525(18) Uani 1 1 d . . . . .
H34A H 0.0849 0.6465 0.5117 0.183 Uiso 1 1 calc R . . . .
H34B H -0.0550 0.6880 0.4767 0.183 Uiso 1 1 calc R . . . .
C35 C 0.1293(2) 0.9488(2) 0.60600(9) 0.0781(7) Uani 1 1 d . . . . .
H35 H 0.0529 0.9929 0.5971 0.094 Uiso 1 1 calc R . . . .
C36 C 0.22844(19) 0.99022(19) 0.64896(8) 0.0638(5) Uani 1 1 d . . . . .
H36 H 0.2179 1.0618 0.6683 0.077 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 B2 1.702(2) . ?
C1 B3 1.7049(19) . ?
C1 B4 1.722(2) . ?
C1 B5 1.726(2) . ?
C1 B6 1.719(2) . ?
C1 C13 1.5411(19) . ?
B2 H2 1.1000 . ?
B2 B3 1.776(2) . ?
B2 B6 1.757(2) . ?
B2 C7 1.698(2) . ?
B2 B11 1.753(2) . ?
B3 H3 1.1000 . ?
B3 B4 1.769(2) . ?
B3 C7 1.703(2) . ?
B3 B8 1.758(2) . ?
B4 H4 1.1000 . ?
B4 B5 1.764(2) . ?
B4 B8 1.766(2) . ?
B4 B9 1.777(2) . ?
B5 H5 1.1000 . ?
B5 B6 1.770(2) . ?
B5 B9 1.774(3) . ?
B5 B10 1.773(2) . ?
B6 H6 1.1000 . ?
B6 B10 1.776(3) . ?
B6 B11 1.765(2) . ?
C7 B8 1.722(2) . ?
C7 B11 1.710(2) . ?
C7 B12 1.717(2) . ?
C7 C28 1.541(2) . ?
B8 H8 1.1000 . ?
B8 B9 1.770(2) . ?
B8 B12 1.767(2) . ?
B9 H9 1.1000 . ?
B9 B10 1.780(3) . ?
B9 B12 1.771(2) . ?
B10 H10 1.1000 . ?
B10 B11 1.772(3) . ?
B10 B12 1.775(3) . ?
B11 H11 1.1000 . ?
B11 B12 1.772(2) . ?
B12 H12 1.1000 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.5135(19) . ?
C14 C15 1.4085(18) . ?
C14 C27 1.4125(19) . ?
C15 C16 1.429(2) . ?
C15 C20 1.436(2) . ?
C16 H16 0.9300 . ?
C16 C17 1.353(2) . ?
C17 H17 0.9300 . ?
C17 C18 1.404(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.354(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.425(2) . ?
C20 C21 1.387(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.387(2) . ?
C22 C23 1.427(2) . ?
C22 C27 1.436(2) . ?
C23 H23 0.9300 . ?
C23 C24 1.346(2) . ?
C24 H24 0.9300 . ?
C24 C25 1.405(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.359(2) . ?
C26 H26 0.9300 . ?
C26 C27 1.431(2) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.503(2) . ?
C29 C30 1.384(2) . ?
C29 C36 1.378(2) . ?
C30 H30 0.9300 . ?
C30 C31 1.379(3) . ?
C31 H31 0.9300 . ?
C31 C32 1.386(3) . ?
C32 C33 1.480(3) . ?
C32 C35 1.372(3) . ?
C33 H33 0.9300 . ?
C33 C34 1.259(5) . ?
C34 H34A 0.9300 . ?
C34 H34B 0.9300 . ?
C35 H35 0.9300 . ?
C35 C36 1.381(3) . ?
C36 H36 0.9300 . ?

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 C1 B3 62.83(9) . . ?
B2 C1 B4 113.59(10) . . ?
B2 C1 B5 112.51(11) . . ?
B2 C1 B6 61.81(9) . . ?
B3 C1 B4 62.16(9) . . ?
B3 C1 B5 112.56(11) . . ?
B3 C1 B6 113.41(11) . . ?
B4 C1 B5 61.56(9) . . ?
B6 C1 B4 112.84(11) . . ?
B6 C1 B5 61.84(9) . . ?
C13 C1 B2 116.35(11) . . ?
C13 C1 B3 119.95(11) . . ?
C13 C1 B4 121.76(11) . . ?
C13 C1 B5 119.67(11) . . ?
C13 C1 B6 115.92(11) . . ?
C1 B2 H2 124.3 . . ?
C1 B2 B3 58.67(8) . . ?
C1 B2 B6 59.58(8) . . ?
C1 B2 B11 106.24(11) . . ?
B3 B2 H2 121.6 . . ?
B6 B2 H2 121.5 . . ?
B6 B2 B3 108.22(11) . . ?
C7 B2 C1 102.89(10) . . ?
C7 B2 H2 124.5 . . ?
C7 B2 B3 58.66(8) . . ?
C7 B2 B6 106.08(11) . . ?
C7 B2 B11 59.36(9) . . ?
B11 B2 H2 121.6 . . ?
B11 B2 B3 108.11(11) . . ?
B11 B2 B6 60.36(10) . . ?
C1 B3 B2 58.50(8) . . ?
C1 B3 H3 124.6 . . ?
C1 B3 B4 59.39(8) . . ?
C1 B3 B8 105.90(11) . . ?
B2 B3 H3 121.9 . . ?
B4 B3 B2 107.83(10) . . ?
B4 B3 H3 121.7 . . ?
C7 B3 C1 102.57(10) . . ?
C7 B3 B2 58.41(9) . . ?
C7 B3 H3 124.5 . . ?
C7 B3 B4 105.94(11) . . ?
C7 B3 B8 59.66(9) . . ?
B8 B3 B2 107.99(11) . . ?
B8 B3 H3 121.6 . . ?
B8 B3 B4 60.11(9) . . ?
C1 B4 B3 58.46(8) . . ?
C1 B4 H4 124.2 . . ?
C1 B4 B5 59.33(8) . . ?
C1 B4 B8 104.81(10) . . ?
C1 B4 B9 105.74(11) . . ?
B3 B4 H4 121.9 . . ?
B3 B4 B9 107.75(11) . . ?
B5 B4 B3 107.74(11) . . ?
B5 B4 H4 121.4 . . ?
B5 B4 B8 107.75(11) . . ?
B5 B4 B9 60.13(10) . . ?
B8 B4 B3 59.63(9) . . ?
B8 B4 H4 122.6 . . ?
B8 B4 B9 59.92(10) . . ?
B9 B4 H4 122.0 . . ?
C1 B5 B4 59.11(8) . . ?
C1 B5 H5 124.1 . . ?
C1 B5 B6 58.89(8) . . ?
C1 B5 B9 105.70(11) . . ?
C1 B5 B10 105.57(11) . . ?
B4 B5 H5 121.2 . . ?
B4 B5 B6 108.40(11) . . ?
B4 B5 B9 60.30(10) . . ?
B4 B5 B10 108.61(12) . . ?
B6 B5 H5 121.3 . . ?
B6 B5 B9 108.47(12) . . ?
B6 B5 B10 60.20(10) . . ?
B9 B5 H5 121.9 . . ?
B10 B5 H5 121.9 . . ?
B10 B5 B9 60.26(10) . . ?
C1 B6 B2 58.62(8) . . ?
C1 B6 B5 59.27(8) . . ?
C1 B6 H6 124.1 . . ?
C1 B6 B10 105.69(11) . . ?
C1 B6 B11 105.00(11) . . ?
B2 B6 B5 107.82(11) . . ?
B2 B6 H6 121.8 . . ?
B2 B6 B10 107.93(12) . . ?
B2 B6 B11 59.71(9) . . ?
B5 B6 H6 121.5 . . ?
B5 B6 B10 59.98(10) . . ?
B10 B6 H6 122.0 . . ?
B11 B6 B5 107.77(12) . . ?
B11 B6 H6 122.5 . . ?
B11 B6 B10 60.07(10) . . ?
B2 C7 B3 62.94(9) . . ?
B2 C7 B8 113.36(11) . . ?
B2 C7 B11 61.91(9) . . ?
B2 C7 B12 113.17(11) . . ?
B3 C7 B8 61.74(9) . . ?
B3 C7 B11 113.67(11) . . ?
B3 C7 B12 112.93(11) . . ?
B11 C7 B8 113.10(11) . . ?
B11 C7 B12 62.29(10) . . ?
B12 C7 B8 61.84(9) . . ?
C28 C7 B2 120.13(12) . . ?
C28 C7 B3 120.20(12) . . ?
C28 C7 B8 118.21(13) . . ?
C28 C7 B11 117.77(12) . . ?
C28 C7 B12 116.58(12) . . ?
B3 B8 B4 60.27(9) . . ?
B3 B8 H8 121.4 . . ?
B3 B8 B9 108.60(12) . . ?
B3 B8 B12 107.96(11) . . ?
B4 B8 H8 122.0 . . ?
B4 B8 B9 60.35(10) . . ?
B4 B8 B12 108.23(12) . . ?
C7 B8 B3 58.60(9) . . ?
C7 B8 B4 105.25(11) . . ?
C7 B8 H8 124.4 . . ?
C7 B8 B9 105.53(11) . . ?
C7 B8 B12 58.94(9) . . ?
B9 B8 H8 121.8 . . ?
B12 B8 H8 121.5 . . ?
B12 B8 B9 60.09(10) . . ?
B4 B9 H9 122.0 . . ?
B4 B9 B10 107.68(12) . . ?
B5 B9 B4 59.57(9) . . ?
B5 B9 H9 122.3 . . ?
B5 B9 B10 59.82(10) . . ?
B8 B9 B4 59.72(9) . . ?
B8 B9 B5 107.15(12) . . ?
B8 B9 H9 122.0 . . ?
B8 B9 B10 107.80(12) . . ?
B8 B9 B12 59.88(10) . . ?
B10 B9 H9 121.7 . . ?
B12 B9 B4 107.56(12) . . ?
B12 B9 B5 107.37(12) . . ?
B12 B9 H9 121.9 . . ?
B12 B9 B10 59.98(10) . . ?
B5 B10 B6 59.83(10) . . ?
B5 B10 B9 59.92(10) . . ?
B5 B10 H10 122.2 . . ?
B5 B10 B12 107.27(12) . . ?
B6 B10 B9 107.91(12) . . ?
B6 B10 H10 121.9 . . ?
B9 B10 H10 121.7 . . ?
B11 B10 B5 107.31(12) . . ?
B11 B10 B6 59.63(10) . . ?
B11 B10 B9 107.81(12) . . ?
B11 B10 H10 122.0 . . ?
B11 B10 B12 59.95(10) . . ?
B12 B10 B6 107.49(12) . . ?
B12 B10 B9 59.75(10) . . ?
B12 B10 H10 122.1 . . ?
B2 B11 B6 59.92(9) . . ?
B2 B11 B10 108.28(12) . . ?
B2 B11 H11 121.6 . . ?
B2 B11 B12 107.94(11) . . ?
B6 B11 B10 60.30(10) . . ?
B6 B11 H11 122.2 . . ?
B6 B11 B12 108.14(12) . . ?
C7 B11 B2 58.73(9) . . ?
C7 B11 B6 105.25(11) . . ?
C7 B11 B10 105.68(11) . . ?
C7 B11 H11 124.2 . . ?
C7 B11 B12 59.06(9) . . ?
B10 B11 H11 121.9 . . ?
B10 B11 B12 60.10(10) . . ?
B12 B11 H11 121.5 . . ?
C7 B12 B8 59.22(9) . . ?
C7 B12 B9 105.68(11) . . ?
C7 B12 B10 105.25(12) . . ?
C7 B12 B11 58.65(9) . . ?
C7 B12 H12 124.2 . . ?
B8 B12 B9 60.02(10) . . ?
B8 B12 B10 108.15(12) . . ?
B8 B12 B11 108.00(11) . . ?
B8 B12 H12 121.4 . . ?
B9 B12 B10 60.27(10) . . ?
B9 B12 B11 108.24(12) . . ?
B9 B12 H12 121.9 . . ?
B10 B12 H12 122.2 . . ?
B11 B12 B10 59.95(10) . . ?
B11 B12 H12 121.6 . . ?
C1 C13 H13A 108.2 . . ?
C1 C13 H13B 108.2 . . ?
H13A C13 H13B 107.3 . . ?
C14 C13 C1 116.48(11) . . ?
C14 C13 H13A 108.2 . . ?
C14 C13 H13B 108.2 . . ?
C15 C14 C13 119.61(12) . . ?
C15 C14 C27 120.24(12) . . ?
C27 C14 C13 120.13(12) . . ?
C14 C15 C16 123.75(13) . . ?
C14 C15 C20 119.40(13) . . ?
C16 C15 C20 116.86(13) . . ?
C15 C16 H16 119.0 . . ?
C17 C16 C15 122.04(16) . . ?
C17 C16 H16 119.0 . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.63(16) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.16(15) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 119.4 . . ?
C18 C19 C20 121.28(16) . . ?
C20 C19 H19 119.4 . . ?
C19 C20 C15 119.03(14) . . ?
C21 C20 C15 119.51(13) . . ?
C21 C20 C19 121.46(15) . . ?
C20 C21 H21 119.0 . . ?
C20 C21 C22 121.99(14) . . ?
C22 C21 H21 119.0 . . ?
C21 C22 C23 121.49(14) . . ?
C21 C22 C27 119.26(13) . . ?
C23 C22 C27 119.25(14) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 C22 121.42(16) . . ?
C24 C23 H23 119.3 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 119.95(15) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 119.5 . . ?
C26 C25 C24 120.94(16) . . ?
C26 C25 H25 119.5 . . ?
C25 C26 H26 119.2 . . ?
C25 C26 C27 121.69(16) . . ?
C27 C26 H26 119.2 . . ?
C14 C27 C22 119.53(12) . . ?
C14 C27 C26 123.80(13) . . ?
C26 C27 C22 116.66(13) . . ?
C7 C28 H28A 108.4 . . ?
C7 C28 H28B 108.4 . . ?
H28A C28 H28B 107.4 . . ?
C29 C28 C7 115.66(13) . . ?
C29 C28 H28A 108.4 . . ?
C29 C28 H28B 108.4 . . ?
C30 C29 C28 120.58(15) . . ?
C36 C29 C28 121.55(16) . . ?
C36 C29 C30 117.86(16) . . ?
C29 C30 H30 119.4 . . ?
C31 C30 C29 121.11(17) . . ?
C31 C30 H30 119.4 . . ?
C30 C31 H31 119.6 . . ?
C30 C31 C32 120.82(19) . . ?
C32 C31 H31 119.6 . . ?
C31 C32 C33 122.3(3) . . ?
C35 C32 C31 117.87(18) . . ?
C35 C32 C33 119.8(2) . . ?
C32 C33 H33 115.6 . . ?
C34 C33 C32 128.7(4) . . ?
C34 C33 H33 115.6 . . ?
C33 C34 H34A 120.0 . . ?
C33 C34 H34B 120.0 . . ?
H34A C34 H34B 120.0 . . ?
C32 C35 H35 119.3 . . ?
C32 C35 C36 121.44(19) . . ?
C36 C35 H35 119.3 . . ?
C29 C36 C35 120.88(19) . . ?
C29 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_submission_special_instructions 'No special instructions were received'

