# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2168887'
loop_
_audit_author_name
_audit_author_address
'YanLing Deng'
;Guangdong University of Technology
China
;
_audit_update_record             
;
2022-04-27 deposited with the CCDC.	2024-06-13 downloaded from the CCDC.
;
_audit_creation_date             2022-04-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(B5 H4 O10), 2(C6 H15 N2)'
_chemical_formula_sum            'C12 H38 B10 N4 O20'
_chemical_formula_weight         666.56
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   9.786(4)
_cell_length_b                   20.930(9)
_cell_length_c                   14.577(6)
_cell_angle_alpha                90
_cell_angle_beta                 94.406(5)
_cell_angle_gamma                90
_cell_volume                     2977(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6978
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.99
_cell_measurement_theta_min      1.95
_shelx_estimated_absorpt_T_max   0.981
_shelx_estimated_absorpt_T_min   0.955
_exptl_absorpt_coefficient_mu    0.128
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0148
_diffrn_reflns_av_unetI/netI     0.0200
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9025
_diffrn_reflns_point_group_measured_fraction_full 0.761
_diffrn_reflns_point_group_measured_fraction_max 0.754
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         1.946
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.506
_reflns_Friedel_fraction_full    0.521
_reflns_Friedel_fraction_max     0.508
_reflns_number_gt                4173
_reflns_number_total             4404
_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  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.446
_refine_diff_density_min         -0.491
_refine_diff_density_rms         0.058
_refine_ls_abs_structure_details 
;
 Flack x determined using 1326 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.2(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         4404
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0368
_refine_ls_restrained_S_all      1.033
_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)+(0.0616P)²+1.2929P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.0991
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C8(H8A,H8B),
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B), N2(H2C,H2D),
 N4(H4C,H4D)
2.b Me refined with riding coordinates:
 C1(H1A,H1B,H1C), C7(H7A,H7B,H7C)
2.c Tetrahedral OH refined with riding coordinates:
 O1(H1), O2(H2), O3(H3), O4(H4), O11(H11), O12(H12), O13(H13), O14(H14)
;
_atom_sites_solution_hydrogens   geom
_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
B1 B 0.0952(3) 0.45554(15) 0.3417(3) 0.0311(7) Uani 1 1 d . . . . .
B2 B -0.0066(3) 0.35114(14) 0.3317(3) 0.0269(7) Uani 1 1 d . . . . .
B3 B 0.2454(3) 0.36051(14) 0.3534(2) 0.0254(6) Uani 1 1 d . . . . .
B4 B 0.4181(3) 0.34079(15) 0.4833(3) 0.0298(7) Uani 1 1 d . . . . .
B5 B 0.4863(3) 0.33367(14) 0.3306(3) 0.0279(7) Uani 1 1 d . . . . .
B6 B 0.1210(3) 0.35018(15) 0.6588(2) 0.0293(7) Uani 1 1 d . . . . .
B7 B 0.0565(3) 0.32504(14) 0.8087(2) 0.0272(7) Uani 1 1 d . . . . .
B8 B 0.2965(3) 0.34967(14) 0.7891(2) 0.0239(6) Uani 1 1 d . . . . .
B9 B 0.4485(3) 0.44254(15) 0.8293(3) 0.0285(7) Uani 1 1 d . . . . .
B10 B 0.5493(3) 0.33923(14) 0.8176(2) 0.0272(7) Uani 1 1 d . . . . .
O1 O 0.0757(2) 0.51901(10) 0.3423(2) 0.0506(7) Uani 1 1 d . . . . .
H1 H 0.148343 0.537168 0.334956 0.076 Uiso 1 1 calc R . . . .
O2 O -0.1228(2) 0.31617(10) 0.32504(19) 0.0389(6) Uani 1 1 d . . . . .
H2 H -0.103688 0.278323 0.319197 0.058 Uiso 1 1 calc R . . . .
O3 O 0.4584(2) 0.33834(13) 0.57375(17) 0.0460(6) Uani 1 1 d . . . . .
H3 H 0.391245 0.341811 0.603786 0.069 Uiso 1 1 calc R . . . .
O4 O 0.5826(2) 0.32539(12) 0.26926(17) 0.0396(5) Uani 1 1 d . . . . .
H4 H 0.658742 0.323718 0.296814 0.059 Uiso 1 1 calc R . . . .
O5 O -0.0184(2) 0.41645(9) 0.34329(19) 0.0389(6) Uani 1 1 d . . . . .
O6 O 0.1197(2) 0.32418(9) 0.32766(16) 0.0283(4) Uani 1 1 d . . . . .
O7 O 0.2212(2) 0.42921(9) 0.33876(17) 0.0336(5) Uani 1 1 d . . . . .
O8 O 0.2856(2) 0.34953(10) 0.45140(15) 0.0314(5) Uani 1 1 d . . . . .
O9 O 0.5209(2) 0.33629(10) 0.42362(16) 0.0328(5) Uani 1 1 d . . . . .
O10 O 0.3536(2) 0.34059(9) 0.29559(15) 0.0287(4) Uani 1 1 d . . . . .
O11 O 0.0789(2) 0.36039(13) 0.56922(16) 0.0440(6) Uani 1 1 d . . . . .
H11 H 0.144177 0.356546 0.537604 0.066 Uiso 1 1 calc R . . . .
O12 O -0.0404(2) 0.30932(11) 0.86645(17) 0.0392(5) Uani 1 1 d . . . . .
H12 H -0.116446 0.311269 0.838703 0.059 Uiso 1 1 calc R . . . .
O13 O 0.4680(2) 0.50542(10) 0.8477(2) 0.0489(7) Uani 1 1 d . . . . .
H13 H 0.393692 0.523757 0.844575 0.073 Uiso 1 1 calc R . . . .
O14 O 0.6661(2) 0.30419(9) 0.82329(18) 0.0368(6) Uani 1 1 d . . . . .
H14 H 0.646777 0.266084 0.824087 0.055 Uiso 1 1 calc R . . . .
O15 O 0.0193(2) 0.34143(10) 0.71823(16) 0.0338(5) Uani 1 1 d . . . . .
O16 O 0.1896(2) 0.32360(10) 0.84134(15) 0.0300(5) Uani 1 1 d . . . . .
O17 O 0.25522(19) 0.34862(10) 0.68955(15) 0.0306(5) Uani 1 1 d . . . . .
O18 O 0.3213(2) 0.41674(9) 0.81760(16) 0.0312(5) Uani 1 1 d . . . . .
O19 O 0.5634(2) 0.40460(9) 0.82626(18) 0.0368(5) Uani 1 1 d . . . . .
O20 O 0.42330(19) 0.31193(8) 0.80639(15) 0.0274(4) Uani 1 1 d . . . . .
C1 C 0.7890(5) 0.3595(2) 0.0568(5) 0.0833(17) Uani 1 1 d . . . . .
H1A H 0.829207 0.320998 0.082358 0.125 Uiso 1 1 calc R . . . .
H1B H 0.692165 0.353402 0.043869 0.125 Uiso 1 1 calc R . . . .
H1C H 0.829900 0.369866 0.000894 0.125 Uiso 1 1 calc R . . . .
C2 C 0.8131(5) 0.41266(19) 0.1238(4) 0.0636(12) Uani 1 1 d . . . . .
H2A H 0.773709 0.400914 0.180511 0.076 Uiso 1 1 calc R . . . .
H2B H 0.911152 0.417343 0.137626 0.076 Uiso 1 1 calc R . . . .
C3 C 0.8066(4) 0.49541(19) 0.0068(3) 0.0523(9) Uani 1 1 d . . . . .
H3A H 0.783211 0.463677 -0.040307 0.063 Uiso 1 1 calc R . . . .
H3B H 0.905617 0.499329 0.013699 0.063 Uiso 1 1 calc R . . . .
C4 C 0.7443(4) 0.5587(2) -0.0223(3) 0.0502(9) Uani 1 1 d . . . . .
H4A H 0.777597 0.571807 -0.080389 0.060 Uiso 1 1 calc R . . . .
H4B H 0.645353 0.554721 -0.030713 0.060 Uiso 1 1 calc R . . . .
C5 C 0.7924(5) 0.5225(2) 0.1640(3) 0.0541(9) Uani 1 1 d . . . . .
H5A H 0.891446 0.525071 0.173794 0.065 Uiso 1 1 calc R . . . .
H5B H 0.757271 0.508930 0.221295 0.065 Uiso 1 1 calc R . . . .
C6 C 0.7367(4) 0.58725(19) 0.1391(3) 0.0536(10) Uani 1 1 d . . . . .
H6A H 0.637346 0.586158 0.136103 0.064 Uiso 1 1 calc R . . . .
H6B H 0.768235 0.617758 0.186183 0.064 Uiso 1 1 calc R . . . .
C7 C 0.371(2) 0.4862(4) 0.0910(13) 0.321(14) Uani 1 1 d . . . . .
H7A H 0.328000 0.527034 0.098002 0.482 Uiso 1 1 calc R . . . .
H7B H 0.452622 0.483655 0.131421 0.482 Uiso 1 1 calc R . . . .
H7C H 0.393299 0.481137 0.028481 0.482 Uiso 1 1 calc R . . . .
C8 C 0.2992(10) 0.4479(2) 0.1083(6) 0.133(4) Uani 1 1 d . . . . .
H8A H 0.217305 0.456645 0.068449 0.160 Uiso 1 1 calc R . . . .
H8B H 0.275662 0.459122 0.169715 0.160 Uiso 1 1 calc R . . . .
C9 C 0.1656(5) 0.3491(2) 0.0862(4) 0.0714(13) Uani 1 1 d . . . . .
H9A H 0.102094 0.365351 0.128489 0.086 Uiso 1 1 calc R . . . .
H9B H 0.133491 0.362354 0.024480 0.086 Uiso 1 1 calc R . . . .
C10 C 0.1698(6) 0.2783(2) 0.0911(4) 0.0775(15) Uani 1 1 d . . . . .
H10A H 0.195236 0.265636 0.154146 0.093 Uiso 1 1 calc R . . . .
H10B H 0.078685 0.261730 0.074470 0.093 Uiso 1 1 calc R . . . .
C11 C 0.4023(5) 0.3484(2) 0.0484(3) 0.0607(12) Uani 1 1 d . . . . .
H11A H 0.494224 0.363668 0.065726 0.073 Uiso 1 1 calc R . . . .
H11B H 0.377111 0.362033 -0.014174 0.073 Uiso 1 1 calc R . . . .
C12 C 0.4000(5) 0.2760(2) 0.0533(3) 0.0582(10) Uani 1 1 d . . . . .
H12A H 0.461732 0.259000 0.010398 0.070 Uiso 1 1 calc R . . . .
H12B H 0.433413 0.262691 0.114640 0.070 Uiso 1 1 calc R . . . .
N1 N 0.7567(3) 0.47478(14) 0.0934(2) 0.0469(7) Uani 1 1 d . . . . .
N2 N 0.7820(3) 0.60754(15) 0.0496(3) 0.0526(9) Uani 1 1 d . . . . .
H2C H 0.872437 0.613071 0.054357 0.063 Uiso 1 1 calc R . . . .
H2D H 0.742975 0.644684 0.033463 0.063 Uiso 1 1 calc R . . . .
N3 N 0.3061(3) 0.37607(13) 0.1106(2) 0.0475(7) Uani 1 1 d . . . . .
N4 N 0.2646(4) 0.24947(15) 0.0319(2) 0.0532(8) Uani 1 1 d . . . . .
H4C H 0.237349 0.257088 -0.026684 0.064 Uiso 1 1 calc R . . . .
H4D H 0.266790 0.207358 0.040446 0.064 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 O1 1.342(4) . ?
B1 O5 1.382(4) . ?
B1 O7 1.354(4) . ?
B2 O2 1.350(4) . ?
B2 O5 1.383(4) . ?
B2 O6 1.364(4) . ?
B3 O6 1.470(4) . ?
B3 O7 1.470(4) . ?
B3 O8 1.470(4) . ?
B3 O10 1.464(4) . ?
B4 O3 1.348(4) . ?
B4 O8 1.356(4) . ?
B4 O9 1.383(4) . ?
B5 O4 1.358(4) . ?
B5 O9 1.373(4) . ?
B5 O10 1.366(4) . ?
B6 O11 1.356(4) . ?
B6 O15 1.381(4) . ?
B6 O17 1.355(4) . ?
B7 O12 1.356(4) . ?
B7 O15 1.384(4) . ?
B7 O16 1.352(4) . ?
B8 O16 1.448(4) . ?
B8 O17 1.476(4) . ?
B8 O18 1.479(4) . ?
B8 O20 1.476(4) . ?
B9 O13 1.354(4) . ?
B9 O18 1.356(4) . ?
B9 O19 1.380(4) . ?
B10 O14 1.355(4) . ?
B10 O19 1.380(4) . ?
B10 O20 1.358(4) . ?
O1 H1 0.8200 . ?
O2 H2 0.8200 . ?
O3 H3 0.8200 . ?
O4 H4 0.8200 . ?
O11 H11 0.8200 . ?
O12 H12 0.8200 . ?
O13 H13 0.8200 . ?
O14 H14 0.8200 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 C2 1.487(7) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 N1 1.468(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.506(5) . ?
C3 N1 1.454(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 N2 1.490(6) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.496(6) . ?
C5 N1 1.456(5) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 N2 1.472(6) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C7 C8 1.105(11) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 N3 1.506(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.485(7) . ?
C9 N3 1.504(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 N4 1.446(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.516(6) . ?
C11 N3 1.474(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 N4 1.448(5) . ?
N2 H2C 0.8900 . ?
N2 H2D 0.8900 . ?
N4 H4C 0.8900 . ?
N4 H4D 0.8900 . ?

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
O1 B1 O5 118.1(3) . . ?
O1 B1 O7 122.2(3) . . ?
O7 B1 O5 119.7(3) . . ?
O2 B2 O5 117.8(3) . . ?
O2 B2 O6 122.3(2) . . ?
O6 B2 O5 119.9(3) . . ?
O6 B3 O7 110.3(2) . . ?
O6 B3 O8 108.9(2) . . ?
O7 B3 O8 108.8(2) . . ?
O10 B3 O6 109.5(2) . . ?
O10 B3 O7 108.1(2) . . ?
O10 B3 O8 111.3(2) . . ?
O3 B4 O8 122.7(3) . . ?
O3 B4 O9 116.2(3) . . ?
O8 B4 O9 121.1(3) . . ?
O4 B5 O9 121.6(3) . . ?
O4 B5 O10 117.1(3) . . ?
O10 B5 O9 121.3(3) . . ?
O11 B6 O15 116.4(3) . . ?
O17 B6 O11 122.5(3) . . ?
O17 B6 O15 121.1(3) . . ?
O12 B7 O15 120.4(3) . . ?
O16 B7 O12 118.5(3) . . ?
O16 B7 O15 121.1(3) . . ?
O16 B8 O17 110.9(2) . . ?
O16 B8 O18 108.6(2) . . ?
O16 B8 O20 109.9(2) . . ?
O17 B8 O18 108.5(2) . . ?
O17 B8 O20 108.9(2) . . ?
O20 B8 O18 110.0(2) . . ?
O13 B9 O18 121.7(3) . . ?
O13 B9 O19 117.6(3) . . ?
O18 B9 O19 120.6(2) . . ?
O14 B10 O19 117.0(3) . . ?
O14 B10 O20 122.2(2) . . ?
O20 B10 O19 120.8(3) . . ?
B1 O1 H1 109.5 . . ?
B2 O2 H2 109.5 . . ?
B4 O3 H3 109.5 . . ?
B5 O4 H4 109.5 . . ?
B1 O5 B2 120.6(2) . . ?
B2 O6 B3 121.2(2) . . ?
B1 O7 B3 122.0(2) . . ?
B4 O8 B3 122.1(2) . . ?
B5 O9 B4 119.2(3) . . ?
B5 O10 B3 121.6(3) . . ?
B6 O11 H11 109.5 . . ?
B7 O12 H12 109.5 . . ?
B9 O13 H13 109.5 . . ?
B10 O14 H14 109.5 . . ?
B6 O15 B7 118.8(2) . . ?
B7 O16 B8 121.5(2) . . ?
B6 O17 B8 120.7(2) . . ?
B9 O18 B8 122.9(2) . . ?
B10 O19 B9 119.8(2) . . ?
B10 O20 B8 122.6(2) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C1 C2 H2A 108.5 . . ?
C1 C2 H2B 108.5 . . ?
H2A C2 H2B 107.5 . . ?
N1 C2 C1 115.3(4) . . ?
N1 C2 H2A 108.5 . . ?
N1 C2 H2B 108.5 . . ?
H3A C3 H3B 108.1 . . ?
C4 C3 H3A 109.6 . . ?
C4 C3 H3B 109.6 . . ?
N1 C3 H3A 109.6 . . ?
N1 C3 H3B 109.6 . . ?
N1 C3 C4 110.5(3) . . ?
C3 C4 H4A 109.8 . . ?
C3 C4 H4B 109.8 . . ?
H4A C4 H4B 108.2 . . ?
N2 C4 C3 109.4(3) . . ?
N2 C4 H4A 109.8 . . ?
N2 C4 H4B 109.8 . . ?
H5A C5 H5B 107.8 . . ?
C6 C5 H5A 109.0 . . ?
C6 C5 H5B 109.0 . . ?
N1 C5 H5A 109.0 . . ?
N1 C5 H5B 109.0 . . ?
N1 C5 C6 112.8(3) . . ?
C5 C6 H6A 109.6 . . ?
C5 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
N2 C6 C5 110.3(3) . . ?
N2 C6 H6A 109.6 . . ?
N2 C6 H6B 109.6 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
C7 C8 H8A 103.6 . . ?
C7 C8 H8B 103.6 . . ?
C7 C8 N3 134.5(10) . . ?
H8A C8 H8B 105.3 . . ?
N3 C8 H8A 103.6 . . ?
N3 C8 H8B 103.6 . . ?
H9A C9 H9B 108.2 . . ?
C10 C9 H9A 109.7 . . ?
C10 C9 H9B 109.7 . . ?
C10 C9 N3 110.0(4) . . ?
N3 C9 H9A 109.7 . . ?
N3 C9 H9B 109.7 . . ?
C9 C10 H10A 108.8 . . ?
C9 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
N4 C10 C9 113.8(4) . . ?
N4 C10 H10A 108.8 . . ?
N4 C10 H10B 108.8 . . ?
H11A C11 H11B 108.1 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
N3 C11 H11A 109.5 . . ?
N3 C11 H11B 109.5 . . ?
N3 C11 C12 110.6(3) . . ?
C11 C12 H12A 109.0 . . ?
C11 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
N4 C12 C11 113.0(4) . . ?
N4 C12 H12A 109.0 . . ?
N4 C12 H12B 109.0 . . ?
C3 N1 C2 112.4(3) . . ?
C3 N1 C5 109.3(3) . . ?
C5 N1 C2 109.2(4) . . ?
C4 N2 H2C 109.5 . . ?
C4 N2 H2D 109.5 . . ?
C6 N2 C4 110.5(3) . . ?
C6 N2 H2C 109.5 . . ?
C6 N2 H2D 109.5 . . ?
H2C N2 H2D 108.1 . . ?
C9 N3 C8 109.3(5) . . ?
C11 N3 C8 114.1(4) . . ?
C11 N3 C9 108.8(3) . . ?
C10 N4 C12 109.3(3) . . ?
C10 N4 H4C 109.8 . . ?
C10 N4 H4D 109.8 . . ?
C12 N4 H4C 109.8 . . ?
C12 N4 H4D 109.8 . . ?
H4C N4 H4D 108.3 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
