#------------------------------------------------------------------------------
#$Date: 2022-05-05 23:31:00 +0300 (Thu, 05 May 2022) $
#$Revision: 274972 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/43/7244399.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7244399
loop_
_publ_author_name
'Wojtkiewicz, Kacper'
'Lough, Alan'
'Bender, Timothy P.'
_publ_section_title
;
 Analysis of the solvent effects on the crystal growth of peripherally
 chlorinated boron subphthalocyanines
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              2791
_journal_page_last               2807
_journal_paper_doi               10.1039/D1CE01320C
_journal_volume                  24
_journal_year                    2022
_chemical_formula_moiety         'C24 H6 B Cl7 N6'
_chemical_formula_sum            'C24 H6 B Cl7 N6'
_chemical_formula_weight         637.31
_chemical_name_systematic        Cl-Cl6BsubPc
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-05-31 deposited with the CCDC.	2022-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.502(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0807(7)
_cell_length_b                   7.4178(3)
_cell_length_c                   25.4738(13)
_cell_measurement_reflns_used    9865
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.70
_cell_measurement_theta_min      2.67
_cell_volume                     2437.8(2)
_computing_cell_refinement       APEX3
_computing_data_collection       'APEX3 (Bruker, 2018)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2015a)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker Kappa APEX-DUO CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_unetI/netI     0.0162
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            33605
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.697
_diffrn_reflns_theta_min         1.621
_diffrn_source
'selaed tube with Bruker Triumph monochromator'
_exptl_absorpt_coefficient_mu    0.845
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7196
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_description       Block
_exptl_crystal_F_000             1264
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dichlorobenzene/dimethoxybezene/heptane'
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.383
_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5672
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0263
_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)+(0.0320P)²+1.5824P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0654
_refine_ls_wR_factor_ref         0.0690
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4980
_reflns_number_total             5672
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce01320c2.cif
_cod_data_source_block           d19196_a
_cod_depositor_comments
'Adding full bibliography for 7244397--7244412.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7244399
_shelx_shelxl_version_number     2018/3
_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. 
;
_shelx_estimated_absorpt_t_min   0.884
_shelx_estimated_absorpt_t_max   0.920
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'
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
Cl1 Cl 0.61269(3) -0.25222(5) 0.33889(2) 0.02260(8) Uani 1 1 d . . . . .
Cl2 Cl 0.35684(3) 0.78053(7) 0.40923(2) 0.04382(13) Uani 1 1 d . . . . .
Cl3 Cl 0.56244(3) 0.78107(6) 0.49200(2) 0.02872(9) Uani 1 1 d . . . . .
Cl4 Cl 1.20619(3) 0.27820(7) 0.40994(2) 0.03246(10) Uani 1 1 d . . . . .
Cl5 Cl 1.20990(3) 0.16565(7) 0.29148(2) 0.03609(11) Uani 1 1 d . . . . .
Cl6 Cl 0.60111(3) 0.18433(7) 0.02420(2) 0.03513(11) Uani 1 1 d . . . . .
Cl7 Cl 0.37788(3) 0.29251(6) 0.04365(2) 0.02959(10) Uani 1 1 d . . . . .
N1 N 0.60293(9) 0.12122(17) 0.34802(4) 0.0165(2) Uani 1 1 d . . . . .
N2 N 0.76204(9) 0.18413(17) 0.40514(5) 0.0180(2) Uani 1 1 d . . . . .
N3 N 0.75987(9) 0.01012(16) 0.32667(4) 0.0157(2) Uani 1 1 d . . . . .
N4 N 0.77375(9) -0.02875(16) 0.23543(5) 0.0161(2) Uani 1 1 d . . . . .
N5 N 0.60871(9) 0.01375(16) 0.26164(5) 0.0158(2) Uani 1 1 d . . . . .
N6 N 0.46582(9) 0.19132(17) 0.27729(5) 0.0177(2) Uani 1 1 d . . . . .
C1 C 0.51287(11) 0.2089(2) 0.32816(6) 0.0173(3) Uani 1 1 d . . . . .
C2 C 0.50032(11) 0.3458(2) 0.36780(6) 0.0182(3) Uani 1 1 d . . . . .
C3 C 0.42599(11) 0.4785(2) 0.36931(6) 0.0214(3) Uani 1 1 d . . . . .
H3A H 0.363996 0.480419 0.343936 0.026 Uiso 1 1 calc R U . . .
C4 C 0.44496(11) 0.6078(2) 0.40890(6) 0.0234(3) Uani 1 1 d . . . . .
C5 C 0.53663(12) 0.6074(2) 0.44661(6) 0.0215(3) Uani 1 1 d . . . . .
C6 C 0.61028(11) 0.4744(2) 0.44618(6) 0.0195(3) Uani 1 1 d . . . . .
H6A H 0.671614 0.472496 0.472007 0.023 Uiso 1 1 calc R U . . .
C7 C 0.59182(11) 0.3433(2) 0.40670(5) 0.0177(3) Uani 1 1 d . . . . .
C8 C 0.65915(11) 0.2043(2) 0.39122(5) 0.0174(3) Uani 1 1 d . . . . .
C9 C 0.81124(11) 0.09678(19) 0.37050(5) 0.0168(3) Uani 1 1 d . . . . .
C10 C 0.91795(11) 0.11204(19) 0.36181(5) 0.0171(3) Uani 1 1 d . . . . .
C11 C 1.00550(11) 0.1847(2) 0.39295(6) 0.0198(3) Uani 1 1 d . . . . .
H11A H 1.003763 0.224846 0.428200 0.024 Uiso 1 1 calc R U . . .
C12 C 1.09521(11) 0.1967(2) 0.37108(6) 0.0212(3) Uani 1 1 d . . . . .
C13 C 1.09729(11) 0.1438(2) 0.31817(6) 0.0213(3) Uani 1 1 d . . . . .
C14 C 1.01018(11) 0.0729(2) 0.28654(6) 0.0187(3) Uani 1 1 d . . . . .
H14A H 1.011333 0.039280 0.250661 0.022 Uiso 1 1 calc R U . . .
C15 C 0.92103(11) 0.05271(19) 0.30908(5) 0.0167(3) Uani 1 1 d . . . . .
C16 C 0.81710(11) -0.00507(19) 0.28653(5) 0.0159(3) Uani 1 1 d . . . . .
C17 C 0.67072(11) -0.00487(19) 0.22392(5) 0.0160(3) Uani 1 1 d . . . . .
C18 C 0.60843(11) 0.05263(19) 0.17469(5) 0.0167(3) Uani 1 1 d . . . . .
C19 C 0.63572(11) 0.0731(2) 0.12462(5) 0.0184(3) Uani 1 1 d . . . . .
H19A H 0.701618 0.035370 0.117704 0.022 Uiso 1 1 calc R U . . .
C20 C 0.56400(11) 0.1500(2) 0.08531(6) 0.0204(3) Uani 1 1 d . . . . .
C21 C 0.46546(11) 0.2034(2) 0.09522(6) 0.0203(3) Uani 1 1 d . . . . .
C22 C 0.43916(11) 0.1889(2) 0.14556(6) 0.0194(3) Uani 1 1 d . . . . .
H22A H 0.373356 0.227999 0.152253 0.023 Uiso 1 1 calc R U . . .
C23 C 0.51189(11) 0.11548(19) 0.18616(5) 0.0171(3) Uani 1 1 d . . . . .
C24 C 0.51802(11) 0.10223(19) 0.24394(5) 0.0169(3) Uani 1 1 d . . . . .
B1 B 0.64642(12) -0.0244(2) 0.31877(6) 0.0161(3) Uani 1 1 d . . . . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C8 N1 C1 113.58(12) . . ?
C8 N1 B1 122.34(12) . . ?
C1 N1 B1 122.74(12) . . ?
C9 N2 C8 116.68(12) . . ?
C9 N3 C16 113.20(12) . . ?
C9 N3 B1 122.51(12) . . ?
C16 N3 B1 122.82(12) . . ?
C16 N4 C17 116.25(12) . . ?
C17 N5 C24 113.68(12) . . ?
C17 N5 B1 122.11(12) . . ?
C24 N5 B1 123.04(12) . . ?
C1 N6 C24 117.10(12) . . ?
N6 C1 N1 122.62(13) . . ?
N6 C1 C2 130.35(13) . . ?
N1 C1 C2 105.26(12) . . ?
C3 C2 C7 120.15(14) . . ?
C3 C2 C1 132.15(14) . . ?
C7 C2 C1 107.18(12) . . ?
C4 C3 C2 117.99(14) . . ?
C4 C3 H3A 121.0 . . ?
C2 C3 H3A 121.0 . . ?
C3 C4 C5 121.71(14) . . ?
C3 C4 Cl2 118.61(12) . . ?
C5 C4 Cl2 119.57(12) . . ?
C6 C5 C4 120.90(14) . . ?
C6 C5 Cl3 118.62(12) . . ?
C4 C5 Cl3 120.38(12) . . ?
C5 C6 C7 117.86(14) . . ?
C5 C6 H6A 121.1 . . ?
C7 C6 H6A 121.1 . . ?
C6 C7 C2 121.37(14) . . ?
C6 C7 C8 130.70(14) . . ?
C2 C7 C8 107.33(12) . . ?
N2 C8 N1 123.08(13) . . ?
N2 C8 C7 129.33(13) . . ?
N1 C8 C7 105.62(12) . . ?
N2 C9 N3 122.72(13) . . ?
N2 C9 C10 129.77(13) . . ?
N3 C9 C10 105.51(12) . . ?
C11 C10 C15 120.71(13) . . ?
C11 C10 C9 131.68(13) . . ?
C15 C10 C9 107.33(12) . . ?
C12 C11 C10 117.99(13) . . ?
C12 C11 H11A 121.0 . . ?
C10 C11 H11A 121.0 . . ?
C11 C12 C13 121.30(13) . . ?
C11 C12 Cl4 118.75(11) . . ?
C13 C12 Cl4 119.95(11) . . ?
C14 C13 C12 121.20(13) . . ?
C14 C13 Cl5 118.63(11) . . ?
C12 C13 Cl5 120.17(12) . . ?
C13 C14 C15 117.78(13) . . ?
C13 C14 H14A 121.1 . . ?
C15 C14 H14A 121.1 . . ?
C14 C15 C10 120.92(13) . . ?
C14 C15 C16 131.56(13) . . ?
C10 C15 C16 107.16(12) . . ?
N4 C16 N3 122.67(12) . . ?
N4 C16 C15 129.85(12) . . ?
N3 C16 C15 105.81(12) . . ?
N4 C17 N5 123.51(12) . . ?
N4 C17 C18 129.15(12) . . ?
N5 C17 C18 105.45(12) . . ?
C19 C18 C23 121.67(13) . . ?
C19 C18 C17 129.56(13) . . ?
C23 C18 C17 108.17(12) . . ?
C20 C19 C18 117.74(13) . . ?
C20 C19 H19A 121.1 . . ?
C18 C19 H19A 121.1 . . ?
C19 C20 C21 121.27(13) . . ?
C19 C20 Cl6 117.24(11) . . ?
C21 C20 Cl6 121.46(11) . . ?
C22 C21 C20 121.18(13) . . ?
C22 C21 Cl7 119.94(12) . . ?
C20 C21 Cl7 118.87(11) . . ?
C21 C22 C23 118.24(13) . . ?
C21 C22 H22A 120.9 . . ?
C23 C22 H22A 120.9 . . ?
C22 C23 C18 119.74(13) . . ?
C22 C23 C24 133.55(13) . . ?
C18 C23 C24 106.36(12) . . ?
N6 C24 N5 122.04(12) . . ?
N6 C24 C23 130.65(13) . . ?
N5 C24 C23 105.34(12) . . ?
N1 B1 N5 105.14(12) . . ?
N1 B1 N3 105.33(12) . . ?
N5 B1 N3 105.21(11) . . ?
N1 B1 Cl1 113.63(10) . . ?
N5 B1 Cl1 113.08(10) . . ?
N3 B1 Cl1 113.61(11) . . ?
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
Cl1 B1 1.8403(16) . ?
Cl2 C4 1.7242(16) . ?
Cl3 C5 1.7268(15) . ?
Cl4 C12 1.7259(15) . ?
Cl5 C13 1.7288(15) . ?
Cl6 C20 1.7244(15) . ?
Cl7 C21 1.7259(15) . ?
N1 C8 1.3654(18) . ?
N1 C1 1.3674(18) . ?
N1 B1 1.479(2) . ?
N2 C9 1.3416(18) . ?
N2 C8 1.3423(19) . ?
N3 C9 1.3652(18) . ?
N3 C16 1.3679(17) . ?
N3 B1 1.4866(19) . ?
N4 C16 1.3429(18) . ?
N4 C17 1.3428(18) . ?
N5 C17 1.3630(17) . ?
N5 C24 1.3655(18) . ?
N5 B1 1.4849(19) . ?
N6 C1 1.3460(18) . ?
N6 C24 1.3477(18) . ?
C1 C2 1.460(2) . ?
C2 C3 1.389(2) . ?
C2 C7 1.422(2) . ?
C3 C4 1.385(2) . ?
C3 H3A 0.9500 . ?
C4 C5 1.407(2) . ?
C5 C6 1.380(2) . ?
C6 C7 1.391(2) . ?
C6 H6A 0.9500 . ?
C7 C8 1.453(2) . ?
C9 C10 1.4535(19) . ?
C10 C11 1.390(2) . ?
C10 C15 1.4202(19) . ?
C11 C12 1.382(2) . ?
C11 H11A 0.9500 . ?
C12 C13 1.408(2) . ?
C13 C14 1.386(2) . ?
C14 C15 1.3904(19) . ?
C14 H14A 0.9500 . ?
C15 C16 1.4505(19) . ?
C17 C18 1.4426(19) . ?
C18 C19 1.3883(19) . ?
C18 C23 1.4210(19) . ?
C19 C20 1.378(2) . ?
C19 H19A 0.9500 . ?
C20 C21 1.410(2) . ?
C21 C22 1.386(2) . ?
C22 C23 1.395(2) . ?
C22 H22A 0.9500 . ?
C23 C24 1.4642(19) . ?
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
C24 N6 C1 N1 -8.8(2) . . . . ?
C24 N6 C1 C2 153.75(14) . . . . ?
C8 N1 C1 N6 155.77(13) . . . . ?
B1 N1 C1 N6 -11.3(2) . . . . ?
C8 N1 C1 C2 -10.52(15) . . . . ?
B1 N1 C1 C2 -177.60(12) . . . . ?
N6 C1 C2 C3 13.1(3) . . . . ?
N1 C1 C2 C3 177.91(15) . . . . ?
N6 C1 C2 C7 -158.35(14) . . . . ?
N1 C1 C2 C7 6.47(15) . . . . ?
C7 C2 C3 C4 1.1(2) . . . . ?
C1 C2 C3 C4 -169.46(15) . . . . ?
C2 C3 C4 C5 0.3(2) . . . . ?
C2 C3 C4 Cl2 176.55(11) . . . . ?
C3 C4 C5 C6 -1.5(2) . . . . ?
Cl2 C4 C5 C6 -177.72(11) . . . . ?
C3 C4 C5 Cl3 174.68(12) . . . . ?
Cl2 C4 C5 Cl3 -1.49(18) . . . . ?
C4 C5 C6 C7 1.2(2) . . . . ?
Cl3 C5 C6 C7 -175.07(11) . . . . ?
C5 C6 C7 C2 0.2(2) . . . . ?
C5 C6 C7 C8 170.12(14) . . . . ?
C3 C2 C7 C6 -1.4(2) . . . . ?
C1 C2 C7 C6 171.29(13) . . . . ?
C3 C2 C7 C8 -173.39(13) . . . . ?
C1 C2 C7 C8 -0.72(15) . . . . ?
C9 N2 C8 N1 8.8(2) . . . . ?
C9 N2 C8 C7 -152.87(14) . . . . ?
C1 N1 C8 N2 -155.23(13) . . . . ?
B1 N1 C8 N2 11.9(2) . . . . ?
C1 N1 C8 C7 10.11(15) . . . . ?
B1 N1 C8 C7 177.24(12) . . . . ?
C6 C7 C8 N2 -12.2(3) . . . . ?
C2 C7 C8 N2 158.77(14) . . . . ?
C6 C7 C8 N1 -176.31(14) . . . . ?
C2 C7 C8 N1 -5.32(15) . . . . ?
C8 N2 C9 N3 -8.8(2) . . . . ?
C8 N2 C9 C10 152.67(14) . . . . ?
C16 N3 C9 N2 154.77(13) . . . . ?
B1 N3 C9 N2 -11.7(2) . . . . ?
C16 N3 C9 C10 -10.54(16) . . . . ?
B1 N3 C9 C10 -177.02(12) . . . . ?
N2 C9 C10 C11 17.2(3) . . . . ?
N3 C9 C10 C11 -178.88(15) . . . . ?
N2 C9 C10 C15 -156.44(14) . . . . ?
N3 C9 C10 C15 7.45(15) . . . . ?
C15 C10 C11 C12 -0.2(2) . . . . ?
C9 C10 C11 C12 -173.15(15) . . . . ?
C10 C11 C12 C13 2.4(2) . . . . ?
C10 C11 C12 Cl4 -177.48(11) . . . . ?
C11 C12 C13 C14 -1.8(2) . . . . ?
Cl4 C12 C13 C14 178.10(12) . . . . ?
C11 C12 C13 Cl5 178.40(12) . . . . ?
Cl4 C12 C13 Cl5 -1.67(19) . . . . ?
C12 C13 C14 C15 -1.1(2) . . . . ?
Cl5 C13 C14 C15 178.63(12) . . . . ?
C13 C14 C15 C10 3.4(2) . . . . ?
C13 C14 C15 C16 175.57(15) . . . . ?
C11 C10 C15 C14 -2.8(2) . . . . ?
C9 C10 C15 C14 171.70(13) . . . . ?
C11 C10 C15 C16 -176.68(13) . . . . ?
C9 C10 C15 C16 -2.17(15) . . . . ?
C17 N4 C16 N3 11.5(2) . . . . ?
C17 N4 C16 C15 -151.53(15) . . . . ?
C9 N3 C16 N4 -157.31(13) . . . . ?
B1 N3 C16 N4 9.1(2) . . . . ?
C9 N3 C16 C15 9.23(16) . . . . ?
B1 N3 C16 C15 175.66(12) . . . . ?
C14 C15 C16 N4 -11.7(3) . . . . ?
C10 C15 C16 N4 161.30(14) . . . . ?
C14 C15 C16 N3 -176.88(15) . . . . ?
C10 C15 C16 N3 -3.91(15) . . . . ?
C16 N4 C17 N5 -10.3(2) . . . . ?
C16 N4 C17 C18 151.68(15) . . . . ?
C24 N5 C17 N4 156.38(13) . . . . ?
B1 N5 C17 N4 -11.6(2) . . . . ?
C24 N5 C17 C18 -9.21(16) . . . . ?
B1 N5 C17 C18 -177.22(12) . . . . ?
N4 C17 C18 C19 10.4(3) . . . . ?
N5 C17 C18 C19 174.87(15) . . . . ?
N4 C17 C18 C23 -160.70(14) . . . . ?
N5 C17 C18 C23 3.79(15) . . . . ?
C23 C18 C19 C20 -2.7(2) . . . . ?
C17 C18 C19 C20 -172.77(15) . . . . ?
C18 C19 C20 C21 -1.1(2) . . . . ?
C18 C19 C20 Cl6 177.04(11) . . . . ?
C19 C20 C21 C22 3.4(2) . . . . ?
Cl6 C20 C21 C22 -174.68(12) . . . . ?
C19 C20 C21 Cl7 -178.04(12) . . . . ?
Cl6 C20 C21 Cl7 3.91(19) . . . . ?
C20 C21 C22 C23 -1.7(2) . . . . ?
Cl7 C21 C22 C23 179.74(11) . . . . ?
C21 C22 C23 C18 -2.1(2) . . . . ?
C21 C22 C23 C24 170.01(15) . . . . ?
C19 C18 C23 C22 4.4(2) . . . . ?
C17 C18 C23 C22 176.32(13) . . . . ?
C19 C18 C23 C24 -169.63(13) . . . . ?
C17 C18 C23 C24 2.30(16) . . . . ?
C1 N6 C24 N5 8.0(2) . . . . ?
C1 N6 C24 C23 -153.60(15) . . . . ?
C17 N5 C24 N6 -154.98(13) . . . . ?
B1 N5 C24 N6 12.9(2) . . . . ?
C17 N5 C24 C23 10.63(16) . . . . ?
B1 N5 C24 C23 178.51(12) . . . . ?
C22 C23 C24 N6 -16.5(3) . . . . ?
C18 C23 C24 N6 156.38(14) . . . . ?
C22 C23 C24 N5 179.67(15) . . . . ?
C18 C23 C24 N5 -7.50(15) . . . . ?
C8 N1 B1 N5 -138.60(13) . . . . ?
C1 N1 B1 N5 27.35(17) . . . . ?
C8 N1 B1 N3 -27.75(17) . . . . ?
C1 N1 B1 N3 138.20(13) . . . . ?
C8 N1 B1 Cl1 97.23(14) . . . . ?
C1 N1 B1 Cl1 -96.82(14) . . . . ?
C17 N5 B1 N1 138.64(13) . . . . ?
C24 N5 B1 N1 -28.24(17) . . . . ?
C17 N5 B1 N3 27.70(18) . . . . ?
C24 N5 B1 N3 -139.18(13) . . . . ?
C17 N5 B1 Cl1 -96.84(14) . . . . ?
C24 N5 B1 Cl1 96.28(14) . . . . ?
C9 N3 B1 N1 27.74(17) . . . . ?
C16 N3 B1 N1 -137.45(13) . . . . ?
C9 N3 B1 N5 138.54(13) . . . . ?
C16 N3 B1 N5 -26.65(18) . . . . ?
C9 N3 B1 Cl1 -97.25(14) . . . . ?
C16 N3 B1 Cl1 97.56(14) . . . . ?
