# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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 
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data_a
_audit_block_doi                 10.5517/ccdc.csd.cc2d8y2q
_database_code_depnum_ccdc_archive 'CCDC 2213123'
loop_
_audit_author_name
_audit_author_address
'Linxiang Cai'
;nanjing university
China
;
_audit_update_record             
;
2022-10-15 deposited with the CCDC.	2023-03-23 downloaded from the CCDC.
;
_audit_creation_date             2021-05-13
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H16 Cl2 Mn N4'
_chemical_formula_sum            'C24 H16 Cl2 Mn N4'
_chemical_formula_weight         486.25
_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'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn -0.0162 2.2332 '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'

_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                   9.4276(15)
_cell_length_b                   15.165(2)
_cell_length_c                   14.397(2)
_cell_angle_alpha                90
_cell_angle_beta                 98.778(8)
_cell_angle_gamma                90
_cell_volume                     2034.2(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7327
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      60.59
_cell_measurement_theta_min      3.71
_shelx_estimated_absorpt_T_max   0.617
_shelx_estimated_absorpt_T_min   0.567
_exptl_absorpt_coefficient_mu    5.338
_exptl_absorpt_correction_T_max  0.7518
_exptl_absorpt_correction_T_min  0.5823
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1334 before and 0.1073 after correction.
The Ratio of minimum to maximum transmission is 0.7745.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ??
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             988
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0795
_diffrn_reflns_av_unetI/netI     0.0823
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14686
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         60.757
_diffrn_reflns_theta_min         3.706
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.961
_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           2.85
_diffrn_source_power             0.1986735
_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                3266
_reflns_number_total             4517
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.589
_refine_diff_density_min         -0.798
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4517
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0932
_refine_ls_R_factor_gt           0.0662
_refine_ls_restrained_S_all      1.037
_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)+(0.1456P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1771
_refine_ls_wR_factor_ref         0.2172
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C10(H10), C13(H13), C9(H9), C6(H6), C14(H14), C22(H22), C1(H1),
 C2(H2), C15(H15), C17(H17), C21(H21), C5(H5), C18(H18), C3(H3), C20(H20)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Mn1 Mn 0.24699(6) 0.22943(4) 0.54967(4) 0.0263(2) Uani 1 1 d . . . . .
Cl1 Cl 0.18722(10) 0.13169(7) 0.67242(7) 0.0355(3) Uani 1 1 d . . . . .
Cl2 Cl 0.04175(11) 0.21622(7) 0.42382(7) 0.0361(3) Uani 1 1 d . . . . .
N2 N 0.3817(3) 0.1414(2) 0.4687(2) 0.0256(7) Uani 1 1 d . . . . .
N3 N 0.3304(3) 0.3524(2) 0.4759(2) 0.0300(7) Uani 1 1 d . . . . .
N1 N 0.4860(4) 0.2272(2) 0.6295(2) 0.0296(7) Uani 1 1 d . . . . .
N4 N 0.1723(3) 0.3540(2) 0.6176(2) 0.0306(7) Uani 1 1 d . . . . .
C11 C 0.5248(4) 0.1334(2) 0.5018(3) 0.0272(8) Uani 1 1 d . . . . .
C4 C 0.7261(4) 0.1693(3) 0.6253(3) 0.0342(9) Uani 1 1 d . . . . .
C12 C 0.5798(4) 0.1786(2) 0.5877(2) 0.0261(8) Uani 1 1 d . . . . .
C24 C 0.2761(4) 0.4309(2) 0.4983(3) 0.0291(8) Uani 1 1 d . . . . .
C8 C 0.5589(5) 0.0369(3) 0.3737(3) 0.0347(9) Uani 1 1 d . . . . .
H8 H 0.617741 0.001137 0.341068 0.042 Uiso 1 1 calc R U . . .
C23 C 0.1911(4) 0.4317(3) 0.5740(3) 0.0305(8) Uani 1 1 d . . . . .
C16 C 0.3019(5) 0.5103(3) 0.4527(3) 0.0370(10) Uani 1 1 d . . . . .
C10 C 0.3298(4) 0.0984(3) 0.3909(3) 0.0301(8) Uani 1 1 d . . . . .
H10 H 0.230310 0.103453 0.367619 0.036 Uiso 1 1 calc R U . . .
C13 C 0.4087(5) 0.3512(3) 0.4075(3) 0.0364(9) Uani 1 1 d . . . . .
H13 H 0.445477 0.296177 0.390416 0.044 Uiso 1 1 calc R U . . .
C9 C 0.4142(5) 0.0461(3) 0.3413(3) 0.0340(9) Uani 1 1 d . . . . .
H9 H 0.372267 0.016893 0.285426 0.041 Uiso 1 1 calc R U . . .
C6 C 0.7656(5) 0.0756(3) 0.4958(3) 0.0394(10) Uani 1 1 d . . . . .
H6 H 0.828530 0.041509 0.464642 0.047 Uiso 1 1 calc R U . . .
C14 C 0.4404(5) 0.4263(3) 0.3588(3) 0.0405(10) Uani 1 1 d . . . . .
H14 H 0.498663 0.422167 0.310653 0.049 Uiso 1 1 calc R U . . .
C22 C 0.0938(4) 0.3543(3) 0.6877(3) 0.0349(9) Uani 1 1 d . . . . .
H22 H 0.082402 0.300801 0.720013 0.042 Uiso 1 1 calc R U . . .
C7 C 0.6172(4) 0.0818(3) 0.4563(3) 0.0301(9) Uani 1 1 d . . . . .
C1 C 0.5359(5) 0.2662(3) 0.7100(3) 0.0356(10) Uani 1 1 d . . . . .
H1 H 0.471262 0.300204 0.739869 0.043 Uiso 1 1 calc R U . . .
C2 C 0.6785(5) 0.2603(3) 0.7534(3) 0.0412(11) Uani 1 1 d . . . . .
H2 H 0.709210 0.289326 0.811477 0.049 Uiso 1 1 calc R U . . .
C19 C 0.1311(5) 0.5117(3) 0.5984(3) 0.0384(10) Uani 1 1 d . . . . .
C15 C 0.3871(5) 0.5052(3) 0.3810(3) 0.0425(11) Uani 1 1 d . . . . .
H15 H 0.407376 0.556954 0.348170 0.051 Uiso 1 1 calc R U . . .
C17 C 0.2389(5) 0.5899(3) 0.4804(3) 0.0455(11) Uani 1 1 d . . . . .
H17 H 0.255120 0.643327 0.449142 0.055 Uiso 1 1 calc R U . . .
C21 C 0.0276(4) 0.4311(3) 0.7152(3) 0.0410(11) Uani 1 1 d . . . . .
H21 H -0.029728 0.428520 0.763913 0.049 Uiso 1 1 calc R U . . .
C5 C 0.8176(5) 0.1173(3) 0.5764(3) 0.0436(11) Uani 1 1 d . . . . .
H5 H 0.916565 0.112064 0.601143 0.052 Uiso 1 1 calc R U . . .
C18 C 0.1573(5) 0.5916(3) 0.5495(3) 0.0468(12) Uani 1 1 d . . . . .
H18 H 0.116947 0.645719 0.566105 0.056 Uiso 1 1 calc R U . . .
C3 C 0.7730(5) 0.2124(3) 0.7112(3) 0.0397(10) Uani 1 1 d . . . . .
H3 H 0.870490 0.207919 0.739785 0.048 Uiso 1 1 calc R U . . .
C20 C 0.0460(5) 0.5094(3) 0.6717(3) 0.0425(11) Uani 1 1 d . . . . .
H20 H 0.002378 0.561723 0.690190 0.051 Uiso 1 1 calc R U . . .


_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
Mn1 Cl1 2.4375(11) . ?
Mn1 Cl2 2.4489(12) . ?
Mn1 N2 2.281(3) . ?
Mn1 N3 2.341(3) . ?
Mn1 N1 2.369(4) . ?
Mn1 N4 2.287(3) . ?
N2 C11 1.366(5) . ?
N2 C10 1.324(5) . ?
N3 C24 1.355(5) . ?
N3 C13 1.318(5) . ?
N1 C12 1.360(5) . ?
N1 C1 1.322(5) . ?
N4 C23 1.360(5) . ?
N4 C22 1.340(5) . ?
C11 C12 1.439(5) . ?
C11 C7 1.405(5) . ?
C4 C12 1.410(5) . ?
C4 C5 1.431(6) . ?
C4 C3 1.409(6) . ?
C24 C23 1.448(6) . ?
C24 C16 1.410(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.379(6) . ?
C8 C7 1.407(5) . ?
C23 C19 1.405(6) . ?
C16 C15 1.403(6) . ?
C16 C17 1.430(6) . ?
C10 H10 0.9500 . ?
C10 C9 1.395(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.393(6) . ?
C9 H9 0.9500 . ?
C6 H6 0.9500 . ?
C6 C7 1.431(5) . ?
C6 C5 1.346(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.356(6) . ?
C22 H22 0.9500 . ?
C22 C21 1.405(6) . ?
C1 H1 0.9500 . ?
C1 C2 1.396(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.362(7) . ?
C19 C18 1.442(6) . ?
C19 C20 1.419(6) . ?
C15 H15 0.9500 . ?
C17 H17 0.9500 . ?
C17 C18 1.348(7) . ?
C21 H21 0.9500 . ?
C21 C20 1.366(6) . ?
C5 H5 0.9500 . ?
C18 H18 0.9500 . ?
C3 H3 0.9500 . ?
C20 H20 0.9500 . ?

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
Cl1 Mn1 Cl2 104.05(4) . . ?
N2 Mn1 Cl1 102.87(8) . . ?
N2 Mn1 Cl2 90.74(8) . . ?
N2 Mn1 N3 89.00(11) . . ?
N2 Mn1 N1 71.15(11) . . ?
N2 Mn1 N4 158.98(12) . . ?
N3 Mn1 Cl1 160.79(8) . . ?
N3 Mn1 Cl2 90.67(8) . . ?
N3 Mn1 N1 82.59(11) . . ?
N1 Mn1 Cl1 86.99(8) . . ?
N1 Mn1 Cl2 160.68(9) . . ?
N4 Mn1 Cl1 94.13(8) . . ?
N4 Mn1 Cl2 97.10(9) . . ?
N4 Mn1 N3 71.51(12) . . ?
N4 Mn1 N1 97.86(11) . . ?
C11 N2 Mn1 118.1(2) . . ?
C10 N2 Mn1 123.9(3) . . ?
C10 N2 C11 117.9(3) . . ?
C24 N3 Mn1 115.2(2) . . ?
C13 N3 Mn1 126.4(3) . . ?
C13 N3 C24 117.7(4) . . ?
C12 N1 Mn1 115.3(2) . . ?
C1 N1 Mn1 127.1(3) . . ?
C1 N1 C12 117.5(4) . . ?
C23 N4 Mn1 116.7(2) . . ?
C22 N4 Mn1 124.5(3) . . ?
C22 N4 C23 118.0(4) . . ?
N2 C11 C12 117.7(3) . . ?
N2 C11 C7 122.4(4) . . ?
C7 C11 C12 119.9(3) . . ?
C12 C4 C5 119.6(4) . . ?
C12 C4 C3 116.7(4) . . ?
C3 C4 C5 123.8(4) . . ?
N1 C12 C11 117.7(3) . . ?
N1 C12 C4 123.2(3) . . ?
C4 C12 C11 119.1(3) . . ?
N3 C24 C23 117.4(3) . . ?
N3 C24 C16 122.7(4) . . ?
C16 C24 C23 119.9(4) . . ?
C9 C8 H8 120.8 . . ?
C9 C8 C7 118.4(4) . . ?
C7 C8 H8 120.8 . . ?
N4 C23 C24 117.7(3) . . ?
N4 C23 C19 123.2(4) . . ?
C19 C23 C24 119.1(4) . . ?
C24 C16 C17 118.9(4) . . ?
C15 C16 C24 117.1(4) . . ?
C15 C16 C17 124.0(4) . . ?
N2 C10 H10 118.4 . . ?
N2 C10 C9 123.2(4) . . ?
C9 C10 H10 118.4 . . ?
N3 C13 H13 118.2 . . ?
N3 C13 C14 123.5(4) . . ?
C14 C13 H13 118.2 . . ?
C8 C9 C10 119.7(4) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C7 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
C5 C6 C7 121.2(4) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 C13 119.2(4) . . ?
C15 C14 H14 120.4 . . ?
N4 C22 H22 118.8 . . ?
N4 C22 C21 122.4(4) . . ?
C21 C22 H22 118.8 . . ?
C11 C7 C8 118.3(4) . . ?
C11 C7 C6 119.2(4) . . ?
C8 C7 C6 122.4(4) . . ?
N1 C1 H1 118.2 . . ?
N1 C1 C2 123.6(4) . . ?
C2 C1 H1 118.2 . . ?
C1 C2 H2 120.5 . . ?
C3 C2 C1 119.0(4) . . ?
C3 C2 H2 120.5 . . ?
C23 C19 C18 119.8(4) . . ?
C23 C19 C20 117.4(4) . . ?
C20 C19 C18 122.8(4) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 C16 119.7(4) . . ?
C14 C15 H15 120.1 . . ?
C16 C17 H17 119.0 . . ?
C18 C17 C16 122.0(4) . . ?
C18 C17 H17 119.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 C22 119.9(4) . . ?
C20 C21 H21 120.0 . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 121.0(4) . . ?
C6 C5 H5 119.5 . . ?
C19 C18 H18 119.9 . . ?
C17 C18 C19 120.3(4) . . ?
C17 C18 H18 119.9 . . ?
C4 C3 H3 120.0 . . ?
C2 C3 C4 120.0(4) . . ?
C2 C3 H3 120.0 . . ?
C19 C20 H20 120.4 . . ?
C21 C20 C19 119.1(4) . . ?
C21 C20 H20 120.4 . . ?

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
Mn1 N2 C11 C12 2.3(4) . . . . ?
Mn1 N2 C11 C7 -179.0(3) . . . . ?
Mn1 N2 C10 C9 178.8(3) . . . . ?
Mn1 N3 C24 C23 8.8(4) . . . . ?
Mn1 N3 C24 C16 -172.7(3) . . . . ?
Mn1 N3 C13 C14 171.9(3) . . . . ?
Mn1 N1 C12 C11 -0.9(4) . . . . ?
Mn1 N1 C12 C4 -179.7(3) . . . . ?
Mn1 N1 C1 C2 178.8(3) . . . . ?
Mn1 N4 C23 C24 -9.5(4) . . . . ?
Mn1 N4 C23 C19 169.7(3) . . . . ?
Mn1 N4 C22 C21 -167.6(3) . . . . ?
N2 C11 C12 N1 -0.8(5) . . . . ?
N2 C11 C12 C4 178.0(3) . . . . ?
N2 C11 C7 C8 -0.2(6) . . . . ?
N2 C11 C7 C6 -179.2(3) . . . . ?
N2 C10 C9 C8 0.5(6) . . . . ?
N3 C24 C23 N4 0.2(5) . . . . ?
N3 C24 C23 C19 -179.0(3) . . . . ?
N3 C24 C16 C15 0.4(6) . . . . ?
N3 C24 C16 C17 179.4(4) . . . . ?
N3 C13 C14 C15 -1.0(7) . . . . ?
N1 C1 C2 C3 0.4(7) . . . . ?
N4 C23 C19 C18 179.3(4) . . . . ?
N4 C23 C19 C20 -0.5(6) . . . . ?
N4 C22 C21 C20 -2.0(6) . . . . ?
C11 N2 C10 C9 -0.3(6) . . . . ?
C12 N1 C1 C2 0.2(6) . . . . ?
C12 C11 C7 C8 178.5(3) . . . . ?
C12 C11 C7 C6 -0.5(5) . . . . ?
C12 C4 C5 C6 -1.2(6) . . . . ?
C12 C4 C3 C2 -0.4(6) . . . . ?
C24 N3 C13 C14 1.3(6) . . . . ?
C24 C23 C19 C18 -1.4(6) . . . . ?
C24 C23 C19 C20 178.7(4) . . . . ?
C24 C16 C15 C14 -0.1(6) . . . . ?
C24 C16 C17 C18 0.9(7) . . . . ?
C23 N4 C22 C21 2.0(6) . . . . ?
C23 C24 C16 C15 178.9(4) . . . . ?
C23 C24 C16 C17 -2.2(6) . . . . ?
C23 C19 C18 C17 0.2(7) . . . . ?
C23 C19 C20 C21 0.6(6) . . . . ?
C16 C24 C23 N4 -178.3(3) . . . . ?
C16 C24 C23 C19 2.5(6) . . . . ?
C16 C17 C18 C19 0.1(7) . . . . ?
C10 N2 C11 C12 -178.6(3) . . . . ?
C10 N2 C11 C7 0.1(5) . . . . ?
C13 N3 C24 C23 -179.5(4) . . . . ?
C13 N3 C24 C16 -1.0(6) . . . . ?
C13 C14 C15 C16 0.4(7) . . . . ?
C9 C8 C7 C11 0.4(6) . . . . ?
C9 C8 C7 C6 179.3(4) . . . . ?
C22 N4 C23 C24 -180.0(4) . . . . ?
C22 N4 C23 C19 -0.8(6) . . . . ?
C22 C21 C20 C19 0.6(6) . . . . ?
C7 C11 C12 N1 -179.6(3) . . . . ?
C7 C11 C12 C4 -0.8(5) . . . . ?
C7 C8 C9 C10 -0.5(6) . . . . ?
C7 C6 C5 C4 0.0(7) . . . . ?
C1 N1 C12 C11 177.8(3) . . . . ?
C1 N1 C12 C4 -0.9(5) . . . . ?
C1 C2 C3 C4 -0.3(6) . . . . ?
C15 C16 C17 C18 179.8(4) . . . . ?
C17 C16 C15 C14 -179.0(4) . . . . ?
C5 C4 C12 N1 -179.7(4) . . . . ?
C5 C4 C12 C11 1.6(6) . . . . ?
C5 C4 C3 C2 -179.7(4) . . . . ?
C5 C6 C7 C11 0.9(6) . . . . ?
C5 C6 C7 C8 -178.0(4) . . . . ?
C18 C19 C20 C21 -179.3(4) . . . . ?
C3 C4 C12 N1 1.0(6) . . . . ?
C3 C4 C12 C11 -177.7(3) . . . . ?
C3 C4 C5 C6 178.0(4) . . . . ?
C20 C19 C18 C17 -179.9(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
