# 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_nido-1NMe4
_database_code_depnum_ccdc_archive 'CCDC 1996549'
loop_
_audit_author_name
_audit_author_address
'Junseong Lee'
;Department of Chemistry, Chonnam National University, Gwangju, Republic of Korea
South Korea
;
_audit_update_record             
;
2020-04-13 deposited with the CCDC.	2020-07-21 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_THETM01_nido-1NMe4          
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: This is due to the small size and weak diffraction of the crystal.
;
_vrf_PLAT088_nido-1NMe4          
;
PROBLEM: Poor Data / Parameter Ratio ....................       6.80 Note  
RESPONSE: This is due to the small size and weak diffraction of the crystal.
;
_vrf_PLAT340_nido-1NMe4          
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.01189 Ang.  
RESPONSE: This is due to the small size and weak diffraction of the crystal.
;
# end Validation Reply Form
_audit_creation_date             2019-06-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C4 H12 N, C27 H39 B10'
_chemical_formula_sum            'C31 H51 B10 N'
_chemical_formula_weight         545.82
_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'
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           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                   7.9229(6)
_cell_length_b                   9.8541(8)
_cell_length_c                   44.974(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.682(5)
_cell_angle_gamma                90
_cell_volume                     3504.0(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3916
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      18.633
_cell_measurement_theta_min      2.58
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.054
_exptl_absorpt_correction_T_max  0.7443
_exptl_absorpt_correction_T_min  0.5858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/2 (Bruker,2014/2) was used for absorption correction. wR2(int) was 0.0894 before and 0.0640 after correction. The Ratio of minimum to maximum transmission is 0.7870. The λ/2 correction factor is 0.00150.'
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.035
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1678
_diffrn_reflns_av_unetI/netI     0.0990
_diffrn_reflns_Laue_measured_fraction_full 0.422
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            18954
_diffrn_reflns_point_group_measured_fraction_full 0.422
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         18.715
_diffrn_reflns_theta_min         2.576
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.422
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1562
_reflns_number_total             2679
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.177
_refine_diff_density_min         -0.300
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.917
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         2679
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1351
_refine_ls_R_factor_gt           0.0727
_refine_ls_restrained_S_all      0.917
_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)+(0.1729P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1891
_refine_ls_wR_factor_ref         0.2409
_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 Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C6(H6), C11(H11), C13(H13), C20(H20), C22(H22)
2.b Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C24(H24A,H24B,
 H24C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C30(H30A,
 H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C)
2.c Boron cage BH refined with riding coordinates:
 C8(H8), B1(H1), B2(H2A), B3(H3), B4(H4), B5(H5A), B6(H6A), B9(H9A), B10(H10),
 B11(H11A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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
N1 N 0.4919(8) 0.2536(6) 0.29233(12) 0.0563(17) Uani 1 1 d . . . . .
C1 C 0.2682(8) 0.5079(7) 0.41533(17) 0.050(2) Uani 1 1 d . . . . .
C2 C 0.2451(9) 0.5516(8) 0.38528(15) 0.052(2) Uani 1 1 d . . . . .
H2 H 0.2942 0.4996 0.3703 0.062 Uiso 1 1 calc R . . . .
C3 C 0.1535(9) 0.6675(8) 0.37681(16) 0.0453(19) Uani 1 1 d . . . . .
C4 C 0.0819(9) 0.7427(7) 0.39872(18) 0.047(2) Uani 1 1 d . . . . .
C5 C 0.0983(10) 0.7007(9) 0.42822(18) 0.064(2) Uani 1 1 d . . . . .
H5 H 0.0468 0.7519 0.4431 0.077 Uiso 1 1 calc R . . . .
C6 C 0.1885(10) 0.5853(9) 0.43620(15) 0.060(2) Uani 1 1 d . . . . .
H6 H 0.1965 0.5578 0.4565 0.072 Uiso 1 1 calc R . . . .
C7 C 0.1338(8) 0.7092(7) 0.34453(14) 0.046(2) Uani 1 1 d . . . . .
C8 C -0.0477(9) 0.6983(7) 0.32856(14) 0.059(2) Uani 1 1 d . . . . .
H8 H -0.1445 0.7042 0.3456 0.071 Uiso 1 1 calc R . . . .
C9 C 0.3650(12) 0.3123(8) 0.45630(16) 0.057(2) Uani 1 1 d . . . . .
C10 C 0.2126(13) 0.2470(9) 0.46139(18) 0.073(3) Uani 1 1 d . . . . .
C11 C 0.1961(13) 0.1740(10) 0.4875(2) 0.090(3) Uani 1 1 d . . . . .
H11 H 0.0922 0.1289 0.4901 0.108 Uiso 1 1 calc R . . . .
C12 C 0.3219(18) 0.1643(10) 0.5093(2) 0.092(3) Uani 1 1 d . . . . .
C13 C 0.4721(16) 0.2293(11) 0.50470(19) 0.094(3) Uani 1 1 d . . . . .
H13 H 0.5626 0.2224 0.5195 0.112 Uiso 1 1 calc R . . . .
C14 C 0.4962(12) 0.3057(9) 0.47878(18) 0.070(3) Uani 1 1 d . . . . .
C15 C 0.0591(11) 0.2459(9) 0.43896(18) 0.099(3) Uani 1 1 d . . . . .
H15A H -0.0231 0.1788 0.4451 0.149 Uiso 1 1 calc GR . . . .
H15B H 0.0952 0.2221 0.4192 0.149 Uiso 1 1 calc GR . . . .
H15C H 0.0067 0.3360 0.4382 0.149 Uiso 1 1 calc GR . . . .
C16 C 0.3075(14) 0.0775(11) 0.53696(18) 0.143(5) Uani 1 1 d . . . . .
H16A H 0.2979 0.1364 0.5543 0.215 Uiso 1 1 calc GR . . . .
H16B H 0.4084 0.0204 0.5400 0.215 Uiso 1 1 calc GR . . . .
H16C H 0.2069 0.0198 0.5344 0.215 Uiso 1 1 calc GR . . . .
C17 C 0.6600(11) 0.3796(10) 0.47524(17) 0.096(3) Uani 1 1 d . . . . .
H17A H 0.7039 0.3556 0.4560 0.144 Uiso 1 1 calc GR . . . .
H17B H 0.7425 0.3536 0.4914 0.144 Uiso 1 1 calc GR . . . .
H17C H 0.6403 0.4777 0.4760 0.144 Uiso 1 1 calc GR . . . .
C18 C 0.5307(9) 0.3414(9) 0.40510(14) 0.0476(19) Uani 1 1 d . . . . .
C19 C 0.5515(10) 0.2055(9) 0.39617(15) 0.048(2) Uani 1 1 d . . . . .
C20 C 0.6865(11) 0.1681(8) 0.37993(15) 0.057(2) Uani 1 1 d . . . . .
H20 H 0.6971 0.0760 0.3741 0.068 Uiso 1 1 calc R . . . .
C21 C 0.8075(10) 0.2617(10) 0.37187(15) 0.054(2) Uani 1 1 d . . . . .
C22 C 0.7851(10) 0.3937(9) 0.38055(17) 0.060(2) Uani 1 1 d . . . . .
H22 H 0.8654 0.4596 0.3752 0.072 Uiso 1 1 calc R . . . .
C23 C 0.6522(11) 0.4357(8) 0.39664(15) 0.051(2) Uani 1 1 d . . . . .
C24 C 0.4226(9) 0.0989(8) 0.40274(15) 0.066(2) Uani 1 1 d . . . . .
H24A H 0.3144 0.1207 0.3920 0.099 Uiso 1 1 calc GR . . . .
H24B H 0.4080 0.0967 0.4242 0.099 Uiso 1 1 calc GR . . . .
H24C H 0.4618 0.0100 0.3962 0.099 Uiso 1 1 calc GR . . . .
C25 C 0.9574(9) 0.2187(8) 0.35503(16) 0.075(3) Uani 1 1 d . . . . .
H25A H 0.9512 0.2622 0.3354 0.113 Uiso 1 1 calc GR . . . .
H25B H 0.9562 0.1198 0.3526 0.113 Uiso 1 1 calc GR . . . .
H25C H 1.0622 0.2460 0.3662 0.113 Uiso 1 1 calc GR . . . .
C26 C 0.6514(9) 0.5844(8) 0.40542(17) 0.077(3) Uani 1 1 d . . . . .
H26A H 0.7673 0.6139 0.4110 0.115 Uiso 1 1 calc GR . . . .
H26B H 0.5814 0.5966 0.4224 0.115 Uiso 1 1 calc GR . . . .
H26C H 0.6050 0.6387 0.3886 0.115 Uiso 1 1 calc GR . . . .
C27 C -0.0162(10) 0.8705(7) 0.39120(15) 0.072(2) Uani 1 1 d . . . . .
H27A H 0.0517 0.9304 0.3793 0.108 Uiso 1 1 calc GR . . . .
H27B H -0.0423 0.9167 0.4096 0.108 Uiso 1 1 calc GR . . . .
H27C H -0.1216 0.8473 0.3797 0.108 Uiso 1 1 calc GR . . . .
C30 C 0.6043(11) 0.3727(8) 0.29028(17) 0.095(3) Uani 1 1 d . . . . .
H30A H 0.6746 0.3821 0.3089 0.143 Uiso 1 1 calc GR . . . .
H30B H 0.5357 0.4547 0.2869 0.143 Uiso 1 1 calc GR . . . .
H30C H 0.6771 0.3602 0.2737 0.143 Uiso 1 1 calc GR . . . .
C31 C 0.3922(11) 0.2675(8) 0.31897(16) 0.086(3) Uani 1 1 d . . . . .
H31A H 0.3283 0.1838 0.3218 0.128 Uiso 1 1 calc GR . . . .
H31B H 0.3135 0.3438 0.3161 0.128 Uiso 1 1 calc GR . . . .
H31C H 0.4688 0.2840 0.3366 0.128 Uiso 1 1 calc GR . . . .
C32 C 0.5996(11) 0.1280(8) 0.29556(18) 0.095(3) Uani 1 1 d . . . . .
H32A H 0.6715 0.1214 0.2787 0.143 Uiso 1 1 calc GR . . . .
H32B H 0.5266 0.0478 0.2959 0.143 Uiso 1 1 calc GR . . . .
H32C H 0.6708 0.1329 0.3142 0.143 Uiso 1 1 calc GR . . . .
C33 C 0.3776(11) 0.2427(9) 0.26512(17) 0.100(3) Uani 1 1 d . . . . .
H33A H 0.4448 0.2311 0.2477 0.150 Uiso 1 1 calc GR . . . .
H33B H 0.3095 0.3254 0.2628 0.150 Uiso 1 1 calc GR . . . .
H33C H 0.3028 0.1643 0.2668 0.150 Uiso 1 1 calc GR . . . .
B1 B 0.1788(11) 0.6496(9) 0.28623(18) 0.063(3) Uani 1 1 d . . . . .
H1 H 0.2319 0.5835 0.2689 0.076 Uiso 1 1 calc R . . . .
B2 B 0.0980(10) 0.5846(9) 0.31897(16) 0.057(3) Uani 1 1 d . . . . .
H2A H 0.0943 0.4734 0.3240 0.068 Uiso 1 1 calc R . . . .
B3 B 0.2871(11) 0.6763(9) 0.32065(17) 0.060(3) Uani 1 1 d . . . . .
H3 H 0.4120 0.6267 0.3265 0.072 Uiso 1 1 calc R . . . .
B4 B 0.2620(12) 0.8117(9) 0.29522(18) 0.063(3) Uani 1 1 d . . . . .
H4 H 0.3734 0.8538 0.2842 0.075 Uiso 1 1 calc R . . . .
B5 B 0.0583(13) 0.7994(9) 0.27717(19) 0.074(3) Uani 1 1 d . . . . .
H5A H 0.0296 0.8315 0.2535 0.089 Uiso 1 1 calc R . . . .
B6 B -0.0407(12) 0.6573(9) 0.29188(17) 0.059(3) Uani 1 1 d . . . . .
H6A H -0.1351 0.5939 0.2785 0.071 Uiso 1 1 calc R . . . .
B9 B 0.2344(11) 0.8387(9) 0.33290(18) 0.057(3) Uani 1 1 d . . . . .
H9A H 0.2788 0.9093 0.3513 0.068 Uiso 1 1 calc R . . . .
H9B H 0.058(11) 0.914(8) 0.3250(18) 0.12(3) Uiso 1 1 d . . . . .
B10 B 0.1001(13) 0.9209(10) 0.3036(2) 0.076(3) Uani 1 1 d . . . . .
H10 H 0.0825 1.0332 0.3057 0.091 Uiso 1 1 calc R . . . .
B11 B -0.0892(13) 0.8214(9) 0.30369(18) 0.067(3) Uani 1 1 d . . . . .
H11A H -0.2064 0.8815 0.3071 0.081 Uiso 1 1 calc R . . . .
B12 B 0.3852(11) 0.3851(9) 0.42518(17) 0.050(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
N1 C30 1.480(9) . ?
N1 C31 1.484(8) . ?
N1 C32 1.505(8) . ?
N1 C33 1.479(8) . ?
C1 C2 1.419(8) . ?
C1 C6 1.392(8) . ?
C1 B12 1.570(10) . ?
C2 C3 1.393(9) . ?
C3 C4 1.383(8) . ?
C3 C7 1.507(9) . ?
C4 C5 1.388(9) . ?
C4 C27 1.507(9) . ?
C5 C6 1.378(9) . ?
C7 C8 1.569(9) . ?
C7 B2 1.693(10) . ?
C7 B3 1.704(10) . ?
C7 B9 1.610(10) . ?
C8 B2 1.685(11) . ?
C8 B6 1.703(10) . ?
C8 B11 1.668(11) . ?
C9 C10 1.400(10) . ?
C9 C14 1.405(10) . ?
C9 B12 1.590(11) . ?
C10 C11 1.389(11) . ?
C10 C15 1.530(11) . ?
C11 C12 1.356(12) . ?
C12 C13 1.378(12) . ?
C12 C16 1.521(12) . ?
C13 C14 1.411(11) . ?
C14 C17 1.505(11) . ?
C18 C19 1.411(9) . ?
C18 C23 1.408(9) . ?
C18 B12 1.570(11) . ?
C19 C20 1.383(9) . ?
C19 C24 1.508(9) . ?
C20 C21 1.395(10) . ?
C21 C22 1.373(9) . ?
C21 C25 1.510(9) . ?
C22 C23 1.379(9) . ?
C23 C26 1.518(9) . ?
B1 B2 1.764(11) . ?
B1 B3 1.741(11) . ?
B1 B4 1.765(12) . ?
B1 B5 1.791(13) . ?
B1 B6 1.775(12) . ?
B2 B3 1.747(12) . ?
B2 B6 1.741(12) . ?
B3 B4 1.760(12) . ?
B3 B9 1.751(12) . ?
B4 B5 1.764(13) . ?
B4 B9 1.743(11) . ?
B4 B10 1.734(13) . ?
B5 B6 1.755(12) . ?
B5 B10 1.704(13) . ?
B5 B11 1.736(12) . ?
B6 B11 1.753(12) . ?
B9 B10 1.829(13) . ?
B10 B11 1.791(14) . ?

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
C30 N1 C31 109.3(6) . . ?
C30 N1 C32 108.6(6) . . ?
C31 N1 C32 109.0(6) . . ?
C33 N1 C30 110.2(6) . . ?
C33 N1 C31 110.2(6) . . ?
C33 N1 C32 109.5(6) . . ?
C2 C1 B12 122.7(7) . . ?
C6 C1 C2 116.1(7) . . ?
C6 C1 B12 121.1(7) . . ?
C3 C2 C1 122.9(6) . . ?
C2 C3 C7 120.5(7) . . ?
C4 C3 C2 118.3(6) . . ?
C4 C3 C7 121.2(7) . . ?
C3 C4 C5 120.2(7) . . ?
C3 C4 C27 121.1(7) . . ?
C5 C4 C27 118.6(7) . . ?
C6 C5 C4 120.7(7) . . ?
C5 C6 C1 121.8(7) . . ?
C3 C7 C8 117.2(6) . . ?
C3 C7 B2 117.3(6) . . ?
C3 C7 B3 121.4(6) . . ?
C3 C7 B9 120.4(6) . . ?
C8 C7 B2 62.1(4) . . ?
C8 C7 B3 111.6(5) . . ?
C8 C7 B9 111.3(6) . . ?
B2 C7 B3 61.9(4) . . ?
B9 C7 B2 114.8(5) . . ?
B9 C7 B3 63.7(5) . . ?
C7 C8 B2 62.6(4) . . ?
C7 C8 B6 111.9(6) . . ?
C7 C8 B11 113.1(6) . . ?
B2 C8 B6 61.9(4) . . ?
B11 C8 B2 114.9(6) . . ?
B11 C8 B6 62.6(5) . . ?
C10 C9 C14 117.9(7) . . ?
C10 C9 B12 119.2(7) . . ?
C14 C9 B12 122.9(8) . . ?
C9 C10 C15 123.6(8) . . ?
C11 C10 C9 120.3(8) . . ?
C11 C10 C15 116.0(10) . . ?
C12 C11 C10 122.9(10) . . ?
C11 C12 C13 117.4(9) . . ?
C11 C12 C16 122.8(12) . . ?
C13 C12 C16 119.6(12) . . ?
C12 C13 C14 122.4(9) . . ?
C9 C14 C13 119.1(9) . . ?
C9 C14 C17 120.3(8) . . ?
C13 C14 C17 120.6(9) . . ?
C19 C18 B12 121.9(8) . . ?
C23 C18 C19 117.1(6) . . ?
C23 C18 B12 120.9(8) . . ?
C18 C19 C24 120.8(7) . . ?
C20 C19 C18 120.8(7) . . ?
C20 C19 C24 118.3(8) . . ?
C19 C20 C21 121.9(7) . . ?
C20 C21 C25 121.4(8) . . ?
C22 C21 C20 116.7(7) . . ?
C22 C21 C25 121.9(9) . . ?
C21 C22 C23 123.4(7) . . ?
C18 C23 C26 123.6(7) . . ?
C22 C23 C18 120.1(7) . . ?
C22 C23 C26 116.2(8) . . ?
B2 B1 B4 106.7(6) . . ?
B2 B1 B5 105.8(6) . . ?
B2 B1 B6 59.0(5) . . ?
B3 B1 B2 59.8(4) . . ?
B3 B1 B4 60.2(5) . . ?
B3 B1 B5 107.6(6) . . ?
B3 B1 B6 107.3(6) . . ?
B4 B1 B5 59.5(5) . . ?
B4 B1 B6 106.5(6) . . ?
B6 B1 B5 59.0(5) . . ?
C7 B2 B1 104.4(6) . . ?
C7 B2 B3 59.3(4) . . ?
C7 B2 B6 104.3(6) . . ?
C8 B2 C7 55.4(4) . . ?
C8 B2 B1 105.3(6) . . ?
C8 B2 B3 104.2(6) . . ?
C8 B2 B6 59.6(5) . . ?
B3 B2 B1 59.5(5) . . ?
B6 B2 B1 60.8(5) . . ?
B6 B2 B3 108.5(6) . . ?
C7 B3 B1 105.0(6) . . ?
C7 B3 B2 58.8(4) . . ?
C7 B3 B4 102.1(6) . . ?
C7 B3 B9 55.5(4) . . ?
B1 B3 B2 60.7(5) . . ?
B1 B3 B4 60.6(5) . . ?
B1 B3 B9 107.7(6) . . ?
B2 B3 B4 107.7(6) . . ?
B2 B3 B9 105.4(6) . . ?
B9 B3 B4 59.5(5) . . ?
B3 B4 B1 59.2(5) . . ?
B3 B4 B5 108.0(6) . . ?
B5 B4 B1 61.0(5) . . ?
B9 B4 B1 107.0(6) . . ?
B9 B4 B3 60.0(5) . . ?
B9 B4 B5 106.9(6) . . ?
B10 B4 B1 109.9(7) . . ?
B10 B4 B3 112.5(6) . . ?
B10 B4 B5 58.3(5) . . ?
B10 B4 B9 63.5(5) . . ?
B4 B5 B1 59.5(5) . . ?
B6 B5 B1 60.0(5) . . ?
B6 B5 B4 107.4(6) . . ?
B10 B5 B1 110.1(7) . . ?
B10 B5 B4 60.0(5) . . ?
B10 B5 B6 111.6(6) . . ?
B10 B5 B11 62.7(5) . . ?
B11 B5 B1 108.6(6) . . ?
B11 B5 B4 108.1(6) . . ?
B11 B5 B6 60.3(5) . . ?
C8 B6 B1 104.0(6) . . ?
C8 B6 B2 58.6(4) . . ?
C8 B6 B5 102.6(6) . . ?
C8 B6 B11 57.7(4) . . ?
B2 B6 B1 60.2(5) . . ?
B2 B6 B5 108.4(7) . . ?
B2 B6 B11 108.0(6) . . ?
B5 B6 B1 61.0(5) . . ?
B11 B6 B1 108.6(7) . . ?
B11 B6 B5 59.3(5) . . ?
C7 B9 B3 60.7(5) . . ?
C7 B9 B4 106.9(6) . . ?
C7 B9 B10 107.9(6) . . ?
B3 B9 B10 108.5(6) . . ?
B4 B9 B3 60.5(5) . . ?
B4 B9 B10 58.0(5) . . ?
B4 B10 B9 58.5(5) . . ?
B4 B10 B11 107.0(7) . . ?
B5 B10 B4 61.7(5) . . ?
B5 B10 B9 105.7(7) . . ?
B5 B10 B11 59.5(5) . . ?
B11 B10 B9 101.8(6) . . ?
C8 B11 B5 104.9(7) . . ?
C8 B11 B6 59.7(5) . . ?
C8 B11 B10 105.7(7) . . ?
B5 B11 B6 60.4(5) . . ?
B5 B11 B10 57.8(5) . . ?
B6 B11 B10 107.7(7) . . ?
C1 B12 C9 120.3(7) . . ?
C18 B12 C1 119.4(6) . . ?
C18 B12 C9 120.1(7) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       Luminescent
