# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_w_a
_audit_block_doi                 10.5517/ccdc.csd.cc27jt9x
_database_code_depnum_ccdc_archive 'CCDC 2071739'
loop_
_audit_author_name
_audit_author_address
'Liuzhou Gao'
;Nanjing University
China
;
_audit_update_record             
;
2021-03-20 deposited with the CCDC.	2021-04-27 downloaded from the CCDC.
;
_audit_creation_date             2021-01-29
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H30 B2 N2 O4'
_chemical_formula_sum            'C20 H30 B2 N2 O4'
_chemical_formula_weight         384.08
_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 0.0137 0.0067 '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 0.0070 0.0029 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 '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                   15.7142(11)
_cell_length_b                   11.0458(8)
_cell_length_c                   12.8792(9)
_cell_angle_alpha                90
_cell_angle_beta                 107.916(3)
_cell_angle_gamma                90
_cell_volume                     2127.1(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9888
_cell_measurement_temperature    190.0
_cell_measurement_theta_max      54.002
_cell_measurement_theta_min      2.571
_shelx_estimated_absorpt_T_max   0.948
_shelx_estimated_absorpt_T_min   0.918
_exptl_absorpt_coefficient_mu    0.415
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.5651
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1639 before and 0.1005 after correction.
The Ratio of minimum to maximum transmission is 0.7529.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_unetI/netI     0.0382
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17293
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.003
_diffrn_reflns_theta_min         2.571
_diffrn_ambient_temperature      190.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.1993706
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3466
_reflns_number_total             3843
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.216
_refine_diff_density_min         -0.259
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         3843
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0424
_refine_ls_restrained_S_all      1.061
_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)+(0.0659P)²+0.4140P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1152
_refine_ls_wR_factor_ref         0.1199
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C5(H5), C6(H6), C7(H7), C8(H8)
2.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C13(H13A,H13B,H13C), C14(H14A,H14B,
 H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,H19B,H19C), C20(H20A,
 H20B,H20C)
;
_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 0.64337(9) 0.04932(11) 0.75521(11) 0.0249(3) Uani 1 1 d . . . . .
B2 B 0.85008(9) 0.69474(11) 0.73262(11) 0.0258(3) Uani 1 1 d . . . . .
C1 C 0.75822(7) 0.19023(10) 0.86600(9) 0.0251(3) Uani 1 1 d . . . . .
H1 H 0.772428 0.133517 0.924277 0.030 Uiso 1 1 calc R U . . .
C2 C 0.79924(7) 0.29761(10) 0.88228(9) 0.0259(3) Uani 1 1 d . . . . .
H2 H 0.840786 0.315262 0.951591 0.031 Uiso 1 1 calc R U . . .
C3 C 0.78171(7) 0.38823(9) 0.79619(9) 0.0226(3) Uani 1 1 d . . . . .
C4 C 0.71968(7) 0.35022(9) 0.69163(9) 0.0227(3) Uani 1 1 d . . . . .
C5 C 0.68017(7) 0.24101(10) 0.67990(9) 0.0245(3) Uani 1 1 d . . . . .
H5 H 0.640636 0.219195 0.610435 0.029 Uiso 1 1 calc R U . . .
C6 C 0.81979(7) 0.49852(10) 0.80804(9) 0.0250(3) Uani 1 1 d . . . . .
H6 H 0.859291 0.520796 0.877386 0.030 Uiso 1 1 calc R U . . .
C7 C 0.74356(8) 0.54699(10) 0.62069(9) 0.0273(3) Uani 1 1 d . . . . .
H7 H 0.730769 0.602379 0.561446 0.033 Uiso 1 1 calc R U . . .
C8 C 0.70388(8) 0.43883(10) 0.60443(9) 0.0267(3) Uani 1 1 d . . . . .
H8 H 0.664419 0.419343 0.534273 0.032 Uiso 1 1 calc R U . . .
C9 C 0.94275(8) 0.84942(10) 0.80895(10) 0.0280(3) Uani 1 1 d . . . . .
C10 C 1.04292(9) 0.86548(12) 0.85417(11) 0.0385(3) Uani 1 1 d . . . . .
H10A H 1.062284 0.849961 0.932902 0.058 Uiso 1 1 calc R U . . .
H10B H 1.058802 0.948482 0.840579 0.058 Uiso 1 1 calc R U . . .
H10C H 1.072609 0.808413 0.818344 0.058 Uiso 1 1 calc R U . . .
C11 C 0.89583(10) 0.92322(11) 0.87443(11) 0.0383(3) Uani 1 1 d . . . . .
H11A H 0.831096 0.910740 0.844980 0.057 Uiso 1 1 calc R U . . .
H11B H 0.909482 1.009236 0.869695 0.057 Uiso 1 1 calc R U . . .
H11C H 0.916623 0.897370 0.950901 0.057 Uiso 1 1 calc R U . . .
C12 C 0.90266(8) 0.86788(10) 0.68293(10) 0.0305(3) Uani 1 1 d . . . . .
C13 C 0.96509(10) 0.82807(14) 0.62033(12) 0.0442(3) Uani 1 1 d . . . . .
H13A H 0.989456 0.747973 0.645913 0.066 Uiso 1 1 calc R U . . .
H13B H 1.014169 0.886380 0.632254 0.066 Uiso 1 1 calc R U . . .
H13C H 0.932042 0.824101 0.542302 0.066 Uiso 1 1 calc R U . . .
C14 C 0.86629(11) 0.99345(12) 0.64807(12) 0.0461(4) Uani 1 1 d . . . . .
H14A H 0.838004 0.994971 0.568825 0.069 Uiso 1 1 calc R U . . .
H14B H 0.915374 1.052207 0.668306 0.069 Uiso 1 1 calc R U . . .
H14C H 0.821965 1.014414 0.684521 0.069 Uiso 1 1 calc R U . . .
C15 C 0.58504(8) -0.12206(10) 0.80133(10) 0.0291(3) Uani 1 1 d . . . . .
C16 C 0.52569(9) -0.08292(13) 0.86820(11) 0.0389(3) Uani 1 1 d . . . . .
H16A H 0.559471 -0.087092 0.945988 0.058 Uiso 1 1 calc R U . . .
H16B H 0.473704 -0.136731 0.852863 0.058 Uiso 1 1 calc R U . . .
H16C H 0.505485 0.000390 0.849029 0.058 Uiso 1 1 calc R U . . .
C17 C 0.61814(10) -0.25032(11) 0.82952(12) 0.0430(4) Uani 1 1 d . . . . .
H17A H 0.661476 -0.270529 0.791400 0.065 Uiso 1 1 calc R U . . .
H17B H 0.567490 -0.306475 0.806955 0.065 Uiso 1 1 calc R U . . .
H17C H 0.646873 -0.256953 0.908462 0.065 Uiso 1 1 calc R U . . .
C18 C 0.54265(8) -0.09651(10) 0.67642(10) 0.0294(3) Uani 1 1 d . . . . .
C19 C 0.44158(9) -0.10324(12) 0.63485(11) 0.0401(3) Uani 1 1 d . . . . .
H19A H 0.416280 -0.046482 0.675931 0.060 Uiso 1 1 calc R U . . .
H19B H 0.422237 -0.185701 0.644469 0.060 Uiso 1 1 calc R U . . .
H19C H 0.420776 -0.081906 0.557246 0.060 Uiso 1 1 calc R U . . .
C20 C 0.58310(11) -0.17116(12) 0.60453(11) 0.0435(4) Uani 1 1 d . . . . .
H20A H 0.561593 -0.140733 0.529481 0.065 Uiso 1 1 calc R U . . .
H20B H 0.565383 -0.256053 0.605993 0.065 Uiso 1 1 calc R U . . .
H20C H 0.648438 -0.164894 0.631685 0.065 Uiso 1 1 calc R U . . .
N1 N 0.69501(6) 0.15723(8) 0.76668(8) 0.0252(2) Uani 1 1 d . . . . .
N2 N 0.80332(6) 0.58262(8) 0.72130(8) 0.0265(2) Uani 1 1 d . . . . .
O1 O 0.66249(5) -0.04098(7) 0.83140(7) 0.0281(2) Uani 1 1 d . . . . .
O2 O 0.56946(5) 0.02918(7) 0.66714(7) 0.0290(2) Uani 1 1 d . . . . .
O3 O 0.92145(5) 0.72199(7) 0.82177(7) 0.0287(2) Uani 1 1 d . . . . .
O4 O 0.82791(5) 0.78273(7) 0.65433(7) 0.0309(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
B1 N1 1.4238(15) . ?
B1 O1 1.3662(15) . ?
B1 O2 1.3692(16) . ?
B2 N2 1.4244(15) . ?
B2 O3 1.3690(15) . ?
B2 O4 1.3663(15) . ?
C1 H1 0.9500 . ?
C1 C2 1.3354(15) . ?
C1 N1 1.4050(15) . ?
C2 H2 0.9500 . ?
C2 C3 1.4558(16) . ?
C3 C4 1.4602(16) . ?
C3 C6 1.3451(15) . ?
C4 C5 1.3438(15) . ?
C4 C8 1.4524(16) . ?
C5 H5 0.9500 . ?
C5 N1 1.4141(14) . ?
C6 H6 0.9500 . ?
C6 N2 1.4141(14) . ?
C7 H7 0.9500 . ?
C7 C8 1.3340(16) . ?
C7 N2 1.4026(15) . ?
C8 H8 0.9500 . ?
C9 C10 1.5114(17) . ?
C9 C11 1.5172(17) . ?
C9 C12 1.5631(17) . ?
C9 O3 1.4678(13) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.5141(19) . ?
C12 C14 1.5146(17) . ?
C12 O4 1.4607(13) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.5141(18) . ?
C15 C17 1.5144(17) . ?
C15 C18 1.5660(17) . ?
C15 O1 1.4640(13) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.5138(18) . ?
C18 C20 1.5176(17) . ?
C18 O2 1.4664(13) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 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
O1 B1 N1 122.98(11) . . ?
O1 B1 O2 114.80(10) . . ?
O2 B1 N1 122.22(11) . . ?
O3 B2 N2 122.73(11) . . ?
O4 B2 N2 122.45(11) . . ?
O4 B2 O3 114.81(10) . . ?
C2 C1 H1 118.5 . . ?
C2 C1 N1 123.05(10) . . ?
N1 C1 H1 118.5 . . ?
C1 C2 H2 119.3 . . ?
C1 C2 C3 121.47(10) . . ?
C3 C2 H2 119.3 . . ?
C2 C3 C4 114.90(10) . . ?
C6 C3 C2 124.26(10) . . ?
C6 C3 C4 120.83(11) . . ?
C5 C4 C3 121.07(11) . . ?
C5 C4 C8 123.70(11) . . ?
C8 C4 C3 115.23(10) . . ?
C4 C5 H5 118.6 . . ?
C4 C5 N1 122.72(10) . . ?
N1 C5 H5 118.6 . . ?
C3 C6 H6 118.7 . . ?
C3 C6 N2 122.57(10) . . ?
N2 C6 H6 118.7 . . ?
C8 C7 H7 118.5 . . ?
C8 C7 N2 122.96(10) . . ?
N2 C7 H7 118.5 . . ?
C4 C8 H8 119.3 . . ?
C7 C8 C4 121.44(11) . . ?
C7 C8 H8 119.3 . . ?
C10 C9 C11 110.44(10) . . ?
C10 C9 C12 115.09(10) . . ?
C11 C9 C12 113.42(10) . . ?
O3 C9 C10 108.40(9) . . ?
O3 C9 C11 106.63(10) . . ?
O3 C9 C12 102.06(8) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C9 113.25(11) . . ?
C13 C12 C14 110.81(12) . . ?
C14 C12 C9 114.96(10) . . ?
O4 C12 C9 102.35(9) . . ?
O4 C12 C13 106.33(10) . . ?
O4 C12 C14 108.31(10) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C17 110.91(11) . . ?
C16 C15 C18 113.02(10) . . ?
C17 C15 C18 114.90(10) . . ?
O1 C15 C16 106.40(9) . . ?
O1 C15 C17 108.22(10) . . ?
O1 C15 C18 102.58(8) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C15 115.02(10) . . ?
C19 C18 C20 110.39(11) . . ?
C20 C18 C15 113.78(11) . . ?
O2 C18 C15 102.26(8) . . ?
O2 C18 C19 108.31(10) . . ?
O2 C18 C20 106.25(9) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C1 N1 B1 122.16(10) . . ?
C1 N1 C5 116.64(9) . . ?
C5 N1 B1 121.05(10) . . ?
C6 N2 B2 121.80(10) . . ?
C7 N2 B2 121.08(10) . . ?
C7 N2 C6 116.96(9) . . ?
B1 O1 C15 105.99(9) . . ?
B1 O2 C18 106.15(9) . . ?
B2 O3 C9 105.83(9) . . ?
B2 O4 C12 105.62(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 C3 C4 -2.43(16) . . . . ?
C1 C2 C3 C6 178.93(11) . . . . ?
C2 C1 N1 B1 -171.47(11) . . . . ?
C2 C1 N1 C5 4.05(16) . . . . ?
C2 C3 C4 C5 2.57(16) . . . . ?
C2 C3 C4 C8 -178.27(9) . . . . ?
C2 C3 C6 N2 177.81(10) . . . . ?
C3 C4 C5 N1 0.58(17) . . . . ?
C3 C4 C8 C7 -0.35(16) . . . . ?
C3 C6 N2 B2 -174.42(11) . . . . ?
C3 C6 N2 C7 0.94(16) . . . . ?
C4 C3 C6 N2 -0.75(17) . . . . ?
C4 C5 N1 B1 171.69(10) . . . . ?
C4 C5 N1 C1 -3.88(16) . . . . ?
C5 C4 C8 C7 178.79(11) . . . . ?
C6 C3 C4 C5 -178.74(10) . . . . ?
C6 C3 C4 C8 0.42(16) . . . . ?
C8 C4 C5 N1 -178.51(10) . . . . ?
C8 C7 N2 B2 174.52(11) . . . . ?
C8 C7 N2 C6 -0.87(17) . . . . ?
C9 C12 O4 B2 -25.87(11) . . . . ?
C10 C9 C12 C13 33.14(14) . . . . ?
C10 C9 C12 C14 -95.66(14) . . . . ?
C10 C9 C12 O4 147.17(10) . . . . ?
C10 C9 O3 B2 -145.27(11) . . . . ?
C11 C9 C12 C13 161.68(10) . . . . ?
C11 C9 C12 C14 32.88(15) . . . . ?
C11 C9 C12 O4 -84.28(11) . . . . ?
C11 C9 O3 B2 95.82(11) . . . . ?
C12 C9 O3 B2 -23.39(12) . . . . ?
C13 C12 O4 B2 93.16(12) . . . . ?
C14 C12 O4 B2 -147.71(11) . . . . ?
C15 C18 O2 B1 22.81(11) . . . . ?
C16 C15 C18 C19 -31.24(14) . . . . ?
C16 C15 C18 C20 -159.98(10) . . . . ?
C16 C15 C18 O2 85.90(11) . . . . ?
C16 C15 O1 B1 -95.26(11) . . . . ?
C17 C15 C18 C19 97.44(13) . . . . ?
C17 C15 C18 C20 -31.30(14) . . . . ?
C17 C15 C18 O2 -145.42(10) . . . . ?
C17 C15 O1 B1 145.49(10) . . . . ?
C18 C15 O1 B1 23.65(11) . . . . ?
C19 C18 O2 B1 144.66(10) . . . . ?
C20 C18 O2 B1 -96.74(11) . . . . ?
N1 B1 O1 C15 168.60(11) . . . . ?
N1 B1 O2 C18 171.99(10) . . . . ?
N1 C1 C2 C3 -0.89(18) . . . . ?
N2 B2 O3 C9 -172.84(11) . . . . ?
N2 B2 O4 C12 -166.62(11) . . . . ?
N2 C7 C8 C4 0.61(18) . . . . ?
O1 B1 N1 C1 -13.02(17) . . . . ?
O1 B1 N1 C5 171.65(10) . . . . ?
O1 B1 O2 C18 -9.02(13) . . . . ?
O1 C15 C18 C19 -145.38(10) . . . . ?
O1 C15 C18 C20 85.88(11) . . . . ?
O1 C15 C18 O2 -28.24(11) . . . . ?
O2 B1 N1 C1 165.89(10) . . . . ?
O2 B1 N1 C5 -9.44(17) . . . . ?
O2 B1 O1 C15 -10.38(13) . . . . ?
O3 B2 N2 C6 8.77(18) . . . . ?
O3 B2 N2 C7 -166.40(11) . . . . ?
O3 B2 O4 C12 12.41(14) . . . . ?
O3 C9 C12 C13 -84.03(11) . . . . ?
O3 C9 C12 C14 147.18(11) . . . . ?
O3 C9 C12 O4 30.01(11) . . . . ?
O4 B2 N2 C6 -172.28(10) . . . . ?
O4 B2 N2 C7 12.55(18) . . . . ?
O4 B2 O3 C9 8.13(14) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
