#------------------------------------------------------------------------------
#$Date: 2022-05-05 23:31:00 +0300 (Thu, 05 May 2022) $
#$Revision: 274972 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/43/7244397.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_7244397
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                 99.499(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0905(3)
_cell_length_b                   7.4207(2)
_cell_length_c                   25.4832(6)
_cell_measurement_reflns_used    9745
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.67
_cell_volume                     2441.51(10)
_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 0.997
_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  0.0297
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -8
_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            29765
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.556
_diffrn_reflns_theta_min         1.620
_diffrn_source
'sealed tube with Buker Triumph monochromator'
_exptl_absorpt_coefficient_mu    0.844
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6857
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_description       plate
_exptl_crystal_F_000             1264
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene/heptane'
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.341
_refine_diff_density_min         -0.358
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5627
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0291
_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)+(0.0297P)²+1.6014P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0664
_refine_ls_wR_factor_ref         0.0715
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4643
_reflns_number_total             5627
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce01320c2.cif
_cod_data_source_block           d19183_a
_cod_depositor_comments
'Adding full bibliography for 7244397--7244412.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7244397
_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   0.830
_shelx_estimated_absorpt_t_max   0.959
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 0.61266(3) -0.25212(6) 0.33888(2) 0.02267(10) Uani 1 1 d . . . . .
Cl2 Cl 0.35669(4) 0.78034(8) 0.40922(2) 0.04369(15) Uani 1 1 d . . . . .
Cl3 Cl 0.56239(4) 0.78108(6) 0.49195(2) 0.02881(11) Uani 1 1 d . . . . .
Cl4 Cl 1.20615(3) 0.27834(8) 0.40996(2) 0.03255(12) Uani 1 1 d . . . . .
Cl5 Cl 1.20981(4) 0.16579(8) 0.29151(2) 0.03632(13) Uani 1 1 d . . . . .
Cl6 Cl 0.60107(4) 0.18441(8) 0.02422(2) 0.03525(13) Uani 1 1 d . . . . .
Cl7 Cl 0.37786(4) 0.29260(7) 0.04364(2) 0.02961(11) Uani 1 1 d . . . . .
N1 N 0.60293(10) 0.12122(19) 0.34797(5) 0.0167(3) Uani 1 1 d . . . . .
N2 N 0.76205(11) 0.18419(19) 0.40518(5) 0.0180(3) Uani 1 1 d . . . . .
N3 N 0.75978(11) 0.01028(18) 0.32659(5) 0.0160(3) Uani 1 1 d . . . . .
N4 N 0.77374(11) -0.02882(18) 0.23548(5) 0.0162(3) Uani 1 1 d . . . . .
N5 N 0.60861(10) 0.01382(18) 0.26163(5) 0.0157(3) Uani 1 1 d . . . . .
N6 N 0.46588(11) 0.19180(19) 0.27731(5) 0.0178(3) Uani 1 1 d . . . . .
C1 C 0.51292(12) 0.2090(2) 0.32816(6) 0.0170(3) Uani 1 1 d . . . . .
C2 C 0.50036(13) 0.3456(2) 0.36789(6) 0.0181(3) Uani 1 1 d . . . . .
C3 C 0.42609(13) 0.4783(2) 0.36923(7) 0.0218(4) Uani 1 1 d . . . . .
H3A H 0.364233 0.480152 0.343807 0.026 Uiso 1 1 calc R U . . .
C4 C 0.44492(13) 0.6078(3) 0.40879(7) 0.0233(4) Uani 1 1 d . . . . .
C5 C 0.53665(14) 0.6072(2) 0.44658(7) 0.0212(4) Uani 1 1 d . . . . .
C6 C 0.61011(13) 0.4745(2) 0.44614(6) 0.0195(4) Uani 1 1 d . . . . .
H6A H 0.671365 0.472502 0.471985 0.023 Uiso 1 1 calc R U . . .
C7 C 0.59169(13) 0.3435(2) 0.40660(6) 0.0175(3) Uani 1 1 d . . . . .
C8 C 0.65912(13) 0.2046(2) 0.39123(6) 0.0175(3) Uani 1 1 d . . . . .
C9 C 0.81106(13) 0.0969(2) 0.37044(6) 0.0169(3) Uani 1 1 d . . . . .
C10 C 0.91788(13) 0.1119(2) 0.36181(6) 0.0170(3) Uani 1 1 d . . . . .
C11 C 1.00551(13) 0.1849(2) 0.39292(7) 0.0198(3) Uani 1 1 d . . . . .
H11A H 1.003784 0.225338 0.428131 0.024 Uiso 1 1 calc R U . . .
C12 C 1.09509(13) 0.1966(2) 0.37104(7) 0.0214(4) Uani 1 1 d . . . . .
C13 C 1.09700(13) 0.1438(2) 0.31818(7) 0.0211(4) Uani 1 1 d . . . . .
C14 C 1.01027(13) 0.0728(2) 0.28669(7) 0.0192(3) Uani 1 1 d . . . . .
H14A H 1.011598 0.038938 0.250858 0.023 Uiso 1 1 calc R U . . .
C15 C 0.92098(13) 0.0526(2) 0.30908(6) 0.0168(3) Uani 1 1 d . . . . .
C16 C 0.81682(13) -0.0050(2) 0.28648(6) 0.0163(3) Uani 1 1 d . . . . .
C17 C 0.67076(13) -0.0048(2) 0.22390(6) 0.0158(3) Uani 1 1 d . . . . .
C18 C 0.60872(13) 0.0527(2) 0.17469(6) 0.0167(3) Uani 1 1 d . . . . .
C19 C 0.63564(13) 0.0734(2) 0.12461(6) 0.0181(3) Uani 1 1 d . . . . .
H19A H 0.701449 0.035753 0.117630 0.022 Uiso 1 1 calc R U . . .
C20 C 0.56414(13) 0.1501(2) 0.08542(6) 0.0204(4) Uani 1 1 d . . . . .
C21 C 0.46550(13) 0.2034(2) 0.09516(7) 0.0203(4) Uani 1 1 d . . . . .
C22 C 0.43927(13) 0.1893(2) 0.14553(7) 0.0195(3) Uani 1 1 d . . . . .
H22A H 0.373640 0.228890 0.152255 0.023 Uiso 1 1 calc R U . . .
C23 C 0.51198(13) 0.1152(2) 0.18618(6) 0.0173(3) Uani 1 1 d . . . . .
C24 C 0.51802(12) 0.1023(2) 0.24388(6) 0.0167(3) Uani 1 1 d . . . . .
B1 B 0.64641(15) -0.0245(3) 0.31880(7) 0.0163(4) 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 113.46(14) . . ?
C8 N1 B1 122.38(14) . . ?
C1 N1 B1 122.84(14) . . ?
C9 N2 C8 116.56(14) . . ?
C9 N3 C16 113.30(14) . . ?
C9 N3 B1 122.41(14) . . ?
C16 N3 B1 122.84(14) . . ?
C16 N4 C17 116.22(14) . . ?
C17 N5 C24 113.65(13) . . ?
C17 N5 B1 122.01(14) . . ?
C24 N5 B1 123.17(14) . . ?
C1 N6 C24 117.10(14) . . ?
N6 C1 N1 122.66(15) . . ?
N6 C1 C2 130.32(15) . . ?
N1 C1 C2 105.26(14) . . ?
C3 C2 C7 120.26(16) . . ?
C3 C2 C1 131.96(16) . . ?
C7 C2 C1 107.20(14) . . ?
C4 C3 C2 117.96(16) . . ?
C4 C3 H3A 121.0 . . ?
C2 C3 H3A 121.0 . . ?
C3 C4 C5 121.59(17) . . ?
C3 C4 Cl2 118.73(14) . . ?
C5 C4 Cl2 119.59(14) . . ?
C6 C5 C4 120.93(16) . . ?
C6 C5 Cl3 118.66(14) . . ?
C4 C5 Cl3 120.30(14) . . ?
C5 C6 C7 117.84(16) . . ?
C5 C6 H6A 121.1 . . ?
C7 C6 H6A 121.1 . . ?
C6 C7 C2 121.39(16) . . ?
C6 C7 C8 130.57(16) . . ?
C2 C7 C8 107.47(14) . . ?
N2 C8 N1 122.99(15) . . ?
N2 C8 C7 129.48(15) . . ?
N1 C8 C7 105.57(14) . . ?
N2 C9 N3 122.88(15) . . ?
N2 C9 C10 129.66(15) . . ?
N3 C9 C10 105.50(13) . . ?
C11 C10 C15 120.65(15) . . ?
C11 C10 C9 131.75(15) . . ?
C15 C10 C9 107.29(14) . . ?
C12 C11 C10 117.97(15) . . ?
C12 C11 H11A 121.0 . . ?
C10 C11 H11A 121.0 . . ?
C11 C12 C13 121.28(16) . . ?
C11 C12 Cl4 118.68(13) . . ?
C13 C12 Cl4 120.05(13) . . ?
C14 C13 C12 121.29(16) . . ?
C14 C13 Cl5 118.69(13) . . ?
C12 C13 Cl5 120.03(13) . . ?
C13 C14 C15 117.94(15) . . ?
C13 C14 H14A 121.0 . . ?
C15 C14 H14A 121.0 . . ?
C14 C15 C10 120.76(15) . . ?
C14 C15 C16 131.76(15) . . ?
C10 C15 C16 107.11(14) . . ?
N4 C16 N3 122.81(15) . . ?
N4 C16 C15 129.77(15) . . ?
N3 C16 C15 105.78(14) . . ?
N4 C17 N5 123.49(14) . . ?
N4 C17 C18 129.14(15) . . ?
N5 C17 C18 105.49(14) . . ?
C19 C18 C23 121.52(15) . . ?
C19 C18 C17 129.85(15) . . ?
C23 C18 C17 108.07(14) . . ?
C20 C19 C18 117.93(16) . . ?
C20 C19 H19A 121.0 . . ?
C18 C19 H19A 121.0 . . ?
C19 C20 C21 121.44(15) . . ?
C19 C20 Cl6 117.32(13) . . ?
C21 C20 Cl6 121.22(13) . . ?
C22 C21 C20 121.01(15) . . ?
C22 C21 Cl7 119.87(14) . . ?
C20 C21 Cl7 119.10(13) . . ?
C21 C22 C23 118.25(16) . . ?
C21 C22 H22A 120.9 . . ?
C23 C22 H22A 120.9 . . ?
C22 C23 C18 119.70(15) . . ?
C22 C23 C24 133.44(16) . . ?
C18 C23 C24 106.45(14) . . ?
N6 C24 N5 121.93(14) . . ?
N6 C24 C23 130.77(15) . . ?
N5 C24 C23 105.32(14) . . ?
N1 B1 N5 105.02(14) . . ?
N1 B1 N3 105.33(14) . . ?
N5 B1 N3 105.13(13) . . ?
N1 B1 Cl1 113.68(12) . . ?
N5 B1 Cl1 113.07(12) . . ?
N3 B1 Cl1 113.74(12) . . ?
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 1.8395(19) . ?
Cl2 C4 1.7253(18) . ?
Cl3 C5 1.7282(18) . ?
Cl4 C12 1.7290(17) . ?
Cl5 C13 1.7321(17) . ?
Cl6 C20 1.7262(17) . ?
Cl7 C21 1.7263(17) . ?
N1 C8 1.368(2) . ?
N1 C1 1.368(2) . ?
N1 B1 1.479(2) . ?
N2 C9 1.343(2) . ?
N2 C8 1.344(2) . ?
N3 C9 1.365(2) . ?
N3 C16 1.366(2) . ?
N3 B1 1.487(2) . ?
N4 C16 1.340(2) . ?
N4 C17 1.343(2) . ?
N5 C17 1.365(2) . ?
N5 C24 1.366(2) . ?
N5 B1 1.487(2) . ?
N6 C1 1.346(2) . ?
N6 C24 1.351(2) . ?
C1 C2 1.461(2) . ?
C2 C3 1.388(2) . ?
C2 C7 1.419(2) . ?
C3 C4 1.385(2) . ?
C3 H3A 0.9500 . ?
C4 C5 1.410(3) . ?
C5 C6 1.378(3) . ?
C6 C7 1.392(2) . ?
C6 H6A 0.9500 . ?
C7 C8 1.453(2) . ?
C9 C10 1.455(2) . ?
C10 C11 1.392(2) . ?
C10 C15 1.421(2) . ?
C11 C12 1.382(2) . ?
C11 H11A 0.9500 . ?
C12 C13 1.407(2) . ?
C13 C14 1.382(2) . ?
C14 C15 1.391(2) . ?
C14 H14A 0.9500 . ?
C15 C16 1.454(2) . ?
C17 C18 1.442(2) . ?
C18 C19 1.387(2) . ?
C18 C23 1.424(2) . ?
C19 C20 1.374(2) . ?
C19 H19A 0.9500 . ?
C20 C21 1.411(2) . ?
C21 C22 1.386(2) . ?
C22 C23 1.399(2) . ?
C22 H22A 0.9500 . ?
C23 C24 1.463(2) . ?
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 -8.6(2) . . . . ?
C24 N6 C1 C2 153.94(17) . . . . ?
C8 N1 C1 N6 155.67(15) . . . . ?
B1 N1 C1 N6 -11.5(2) . . . . ?
C8 N1 C1 C2 -10.62(18) . . . . ?
B1 N1 C1 C2 -177.75(14) . . . . ?
N6 C1 C2 C3 12.9(3) . . . . ?
N1 C1 C2 C3 177.74(17) . . . . ?
N6 C1 C2 C7 -158.17(16) . . . . ?
N1 C1 C2 C7 6.66(17) . . . . ?
C7 C2 C3 C4 0.8(2) . . . . ?
C1 C2 C3 C4 -169.30(17) . . . . ?
C2 C3 C4 C5 0.4(3) . . . . ?
C2 C3 C4 Cl2 176.82(13) . . . . ?
C3 C4 C5 C6 -1.4(3) . . . . ?
Cl2 C4 C5 C6 -177.87(13) . . . . ?
C3 C4 C5 Cl3 174.70(14) . . . . ?
Cl2 C4 C5 Cl3 -1.7(2) . . . . ?
C4 C5 C6 C7 1.2(2) . . . . ?
Cl3 C5 C6 C7 -174.97(12) . . . . ?
C5 C6 C7 C2 0.0(2) . . . . ?
C5 C6 C7 C8 170.19(16) . . . . ?
C3 C2 C7 C6 -1.0(2) . . . . ?
C1 C2 C7 C6 171.31(14) . . . . ?
C3 C2 C7 C8 -173.24(15) . . . . ?
C1 C2 C7 C8 -0.92(18) . . . . ?
C9 N2 C8 N1 8.9(2) . . . . ?
C9 N2 C8 C7 -152.76(17) . . . . ?
C1 N1 C8 N2 -155.33(15) . . . . ?
B1 N1 C8 N2 11.9(2) . . . . ?
C1 N1 C8 C7 10.08(18) . . . . ?
B1 N1 C8 C7 177.28(14) . . . . ?
C6 C7 C8 N2 -12.3(3) . . . . ?
C2 C7 C8 N2 158.93(16) . . . . ?
C6 C7 C8 N1 -176.44(16) . . . . ?
C2 C7 C8 N1 -5.18(18) . . . . ?
C8 N2 C9 N3 -8.9(2) . . . . ?
C8 N2 C9 C10 152.79(17) . . . . ?
C16 N3 C9 N2 154.83(15) . . . . ?
B1 N3 C9 N2 -11.8(2) . . . . ?
C16 N3 C9 C10 -10.64(18) . . . . ?
B1 N3 C9 C10 -177.26(14) . . . . ?
N2 C9 C10 C11 16.8(3) . . . . ?
N3 C9 C10 C11 -179.08(17) . . . . ?
N2 C9 C10 C15 -156.62(17) . . . . ?
N3 C9 C10 C15 7.48(18) . . . . ?
C15 C10 C11 C12 -0.3(2) . . . . ?
C9 C10 C11 C12 -173.05(17) . . . . ?
C10 C11 C12 C13 2.7(3) . . . . ?
C10 C11 C12 Cl4 -177.42(13) . . . . ?
C11 C12 C13 C14 -2.1(3) . . . . ?
Cl4 C12 C13 C14 177.99(14) . . . . ?
C11 C12 C13 Cl5 178.34(14) . . . . ?
Cl4 C12 C13 Cl5 -1.6(2) . . . . ?
C12 C13 C14 C15 -0.9(3) . . . . ?
Cl5 C13 C14 C15 178.67(13) . . . . ?
C13 C14 C15 C10 3.2(2) . . . . ?
C13 C14 C15 C16 175.30(17) . . . . ?
C11 C10 C15 C14 -2.6(3) . . . . ?
C9 C10 C15 C14 171.67(15) . . . . ?
C11 C10 C15 C16 -176.48(15) . . . . ?
C9 C10 C15 C16 -2.17(18) . . . . ?
C17 N4 C16 N3 11.6(2) . . . . ?
C17 N4 C16 C15 -151.65(17) . . . . ?
C9 N3 C16 N4 -157.39(15) . . . . ?
B1 N3 C16 N4 9.2(2) . . . . ?
C9 N3 C16 C15 9.32(18) . . . . ?
B1 N3 C16 C15 175.88(15) . . . . ?
C14 C15 C16 N4 -11.4(3) . . . . ?
C10 C15 C16 N4 161.47(17) . . . . ?
C14 C15 C16 N3 -176.85(18) . . . . ?
C10 C15 C16 N3 -3.97(18) . . . . ?
C16 N4 C17 N5 -10.5(2) . . . . ?
C16 N4 C17 C18 151.60(17) . . . . ?
C24 N5 C17 N4 156.43(15) . . . . ?
B1 N5 C17 N4 -11.6(2) . . . . ?
C24 N5 C17 C18 -9.21(18) . . . . ?
B1 N5 C17 C18 -177.20(14) . . . . ?
N4 C17 C18 C19 10.4(3) . . . . ?
N5 C17 C18 C19 174.90(17) . . . . ?
N4 C17 C18 C23 -160.90(16) . . . . ?
N5 C17 C18 C23 3.64(18) . . . . ?
C23 C18 C19 C20 -2.5(2) . . . . ?
C17 C18 C19 C20 -172.79(17) . . . . ?
C18 C19 C20 C21 -1.2(3) . . . . ?
C18 C19 C20 Cl6 177.08(13) . . . . ?
C19 C20 C21 C22 3.6(3) . . . . ?
Cl6 C20 C21 C22 -174.62(14) . . . . ?
C19 C20 C21 Cl7 -178.03(14) . . . . ?
Cl6 C20 C21 Cl7 3.8(2) . . . . ?
C20 C21 C22 C23 -2.1(3) . . . . ?
Cl7 C21 C22 C23 179.56(13) . . . . ?
C21 C22 C23 C18 -1.6(2) . . . . ?
C21 C22 C23 C24 169.95(17) . . . . ?
C19 C18 C23 C22 4.0(2) . . . . ?
C17 C18 C23 C22 176.14(15) . . . . ?
C19 C18 C23 C24 -169.60(15) . . . . ?
C17 C18 C23 C24 2.53(18) . . . . ?
C1 N6 C24 N5 7.8(2) . . . . ?
C1 N6 C24 C23 -153.73(17) . . . . ?
C17 N5 C24 N6 -154.85(15) . . . . ?
B1 N5 C24 N6 13.0(2) . . . . ?
C17 N5 C24 C23 10.76(18) . . . . ?
B1 N5 C24 C23 178.59(14) . . . . ?
C22 C23 C24 N6 -16.2(3) . . . . ?
C18 C23 C24 N6 156.10(17) . . . . ?
C22 C23 C24 N5 179.92(18) . . . . ?
C18 C23 C24 N5 -7.73(18) . . . . ?
C8 N1 B1 N5 -138.63(15) . . . . ?
C1 N1 B1 N5 27.4(2) . . . . ?
C8 N1 B1 N3 -27.9(2) . . . . ?
C1 N1 B1 N3 138.09(15) . . . . ?
C8 N1 B1 Cl1 97.26(16) . . . . ?
C1 N1 B1 Cl1 -96.74(16) . . . . ?
C17 N5 B1 N1 138.60(15) . . . . ?
C24 N5 B1 N1 -28.2(2) . . . . ?
C17 N5 B1 N3 27.7(2) . . . . ?
C24 N5 B1 N3 -139.09(15) . . . . ?
C17 N5 B1 Cl1 -96.91(16) . . . . ?
C24 N5 B1 Cl1 96.26(17) . . . . ?
C9 N3 B1 N1 27.9(2) . . . . ?
C16 N3 B1 N1 -137.42(15) . . . . ?
C9 N3 B1 N5 138.57(15) . . . . ?
C16 N3 B1 N5 -26.8(2) . . . . ?
C9 N3 B1 Cl1 -97.20(17) . . . . ?
C16 N3 B1 Cl1 97.44(16) . . . . ?
