# 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_x
_database_code_depnum_ccdc_archive 'CCDC 2311862'
loop_
_audit_author_name
_audit_author_address
'Haowei Lin'
;Fujian Institute of material structure,Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-12-04 deposited with the CCDC.	2024-03-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H25 Cl4 In N4'
_chemical_formula_weight         578.06

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'
In In 0.1167 3.9932 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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                   12.3933(2)
_cell_length_b                   13.3229(2)
_cell_length_c                   15.3602(2)
_cell_angle_alpha                90
_cell_angle_beta                 109.006(2)
_cell_angle_gamma                90
_cell_volume                     2397.93(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    12568
_cell_measurement_theta_min      2.5580
_cell_measurement_theta_max      60.0710

_exptl_crystal_description       plate
_exptl_crystal_colour            jasmine
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_F_000             1160
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    8.174
_shelx_estimated_absorpt_T_min   0.292
_shelx_estimated_absorpt_T_max   0.854
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.61418
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     1.3414
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17775
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.279
_diffrn_reflns_theta_max         60.046
_diffrn_reflns_theta_full        53.543
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5305
_reflns_number_gt                4783
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0380P)²+0.5286P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00228(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5305
_refine_ls_number_parameters     267
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0279
_refine_ls_wR_factor_ref         0.0740
_refine_ls_wR_factor_gt          0.0722
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
In1 In 0.27457(2) 0.63967(2) 0.69139(2) 0.03125(7) Uani 1 1 d . . . . .
Cl1 Cl 0.32293(7) 0.63163(5) 0.85961(4) 0.04789(16) Uani 1 1 d . . . . .
Cl2 Cl 0.08247(5) 0.71737(5) 0.66693(4) 0.04969(16) Uani 1 1 d . . . . .
Cl3 Cl 0.35390(6) 0.80372(5) 0.67731(5) 0.05063(16) Uani 1 1 d . . . . .
Cl4 Cl 0.45353(6) 0.54700(6) 0.69894(5) 0.05798(19) Uani 1 1 d . . . . .
N1 N 0.22311(16) 0.59940(15) 0.53711(12) 0.0322(4) Uani 1 1 d . . . . .
N2 N 0.17754(16) 0.48939(15) 0.66742(12) 0.0352(4) Uani 1 1 d . . . . .
C1 C 0.2534(2) 0.65470(19) 0.47595(16) 0.0396(5) Uani 1 1 d . . . . .
H1A H 0.287351 0.716912 0.494093 0.048 Uiso 1 1 calc R U . . .
C2 C 0.2362(2) 0.6226(2) 0.38706(17) 0.0459(6) Uani 1 1 d . . . . .
H2A H 0.258070 0.662909 0.346296 0.055 Uiso 1 1 calc R U . . .
C3 C 0.1864(2) 0.5309(2) 0.35900(16) 0.0480(6) Uani 1 1 d . . . . .
C4 C 0.1537(2) 0.47389(19) 0.42228(15) 0.0411(5) Uani 1 1 d . . . . .
H4A H 0.118647 0.411946 0.405169 0.049 Uiso 1 1 calc R U . . .
C5 C 0.17369(18) 0.50989(17) 0.51082(14) 0.0313(4) Uani 1 1 d . . . . .
C6 C 0.14288(18) 0.45108(17) 0.58157(14) 0.0310(4) Uani 1 1 d . . . . .
C7 C 0.0816(2) 0.36267(17) 0.56114(16) 0.0352(5) Uani 1 1 d . . . . .
H7A H 0.058210 0.338223 0.501165 0.042 Uiso 1 1 calc R U . . .
C8 C 0.0546(2) 0.30975(18) 0.62942(16) 0.0370(5) Uani 1 1 d . . . . .
C9 C 0.0900(3) 0.3508(2) 0.71672(18) 0.0469(6) Uani 1 1 d . . . . .
H9A H 0.073234 0.318573 0.764464 0.056 Uiso 1 1 calc R U . . .
C10 C 0.1500(2) 0.4394(2) 0.73297(16) 0.0461(6) Uani 1 1 d . . . . .
H10A H 0.172550 0.465892 0.792200 0.055 Uiso 1 1 calc R U . . .
C11 C 0.1673(4) 0.4929(3) 0.2630(2) 0.0843(13) Uani 1 1 d . . . . .
H11A H 0.151496 0.548485 0.220914 0.126 Uiso 1 1 calc R U . . .
H11B H 0.103667 0.447491 0.245918 0.126 Uiso 1 1 calc R U . . .
H11C H 0.234392 0.458509 0.260772 0.126 Uiso 1 1 calc R U . . .
N3 N 0.42436(19) 0.27136(19) 0.50391(17) 0.0528(6) Uani 1 1 d . . . . .
N4 N 0.37533(19) 0.11937(18) 0.51920(16) 0.0472(5) Uani 1 1 d . . . . .
C12 C -0.0101(2) 0.2126(2) 0.60789(19) 0.0482(6) Uani 1 1 d . . . . .
H12A H -0.056577 0.205509 0.646750 0.072 Uiso 1 1 calc R U . . .
H12B H 0.042837 0.157710 0.618595 0.072 Uiso 1 1 calc R U . . .
H12C H -0.057805 0.212473 0.544550 0.072 Uiso 1 1 calc R U . . .
C13 C 0.4336(3) 0.2174(3) 0.4298(2) 0.0616(8) Uani 1 1 d . . . . .
H13A H 0.457327 0.242238 0.382369 0.074 Uiso 1 1 calc R U . . .
C14 C 0.4024(3) 0.1232(2) 0.4386(2) 0.0552(7) Uani 1 1 d . . . . .
H14A H 0.399458 0.070284 0.398420 0.066 Uiso 1 1 calc R U . . .
C15 C 0.3900(2) 0.2106(2) 0.55741(19) 0.0473(6) Uani 1 1 d . . . . .
C16 C 0.4543(3) 0.3772(3) 0.5208(3) 0.0780(11) Uani 1 1 d . . . . .
H16A H 0.393049 0.412310 0.532879 0.117 Uiso 1 1 calc R U . . .
H16B H 0.467129 0.405670 0.467553 0.117 Uiso 1 1 calc R U . . .
H16C H 0.522461 0.383300 0.572967 0.117 Uiso 1 1 calc R U . . .
C17 C 0.3705(3) 0.2380(3) 0.6441(2) 0.0641(8) Uani 1 1 d . . . . .
H17A H 0.380963 0.308969 0.654016 0.096 Uiso 1 1 calc R U . . .
H17B H 0.423672 0.202652 0.694410 0.096 Uiso 1 1 calc R U . . .
H17C H 0.294000 0.220179 0.640341 0.096 Uiso 1 1 calc R U . . .
C18 C 0.3359(3) 0.0303(2) 0.5548(2) 0.0534(7) Uani 1 1 d . . . . .
H18A H 0.362827 0.033153 0.621573 0.064 Uiso 1 1 calc R U . . .
H18B H 0.369351 -0.028570 0.536609 0.064 Uiso 1 1 calc R U . . .
C19 C 0.2098(3) 0.0193(3) 0.5220(2) 0.0591(7) Uani 1 1 d . . . . .
H19A H 0.180479 -0.038329 0.540104 0.071 Uiso 1 1 calc R U . . .
C20 C 0.1359(3) 0.0825(3) 0.4704(2) 0.0695(9) Uani 1 1 d . . . . .
H20A H 0.160940 0.141334 0.450517 0.083 Uiso 1 1 calc R U . . .
H20B H 0.058230 0.068765 0.453466 0.083 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
In1 N2 2.3026(19) . ?
In1 N1 2.3078(17) . ?
In1 Cl3 2.4349(6) . ?
In1 Cl1 2.4573(6) . ?
In1 Cl4 2.5079(7) . ?
In1 Cl2 2.5095(6) . ?
N1 C1 1.340(3) . ?
N1 C5 1.341(3) . ?
N2 C10 1.341(3) . ?
N2 C6 1.347(3) . ?
C1 C2 1.379(3) . ?
C1 H1A 0.9300 . ?
C2 C3 1.373(4) . ?
C2 H2A 0.9300 . ?
C3 C4 1.394(3) . ?
C3 C11 1.503(4) . ?
C4 C5 1.386(3) . ?
C4 H4A 0.9300 . ?
C5 C6 1.487(3) . ?
C6 C7 1.381(3) . ?
C7 C8 1.392(3) . ?
C7 H7A 0.9300 . ?
C8 C9 1.381(4) . ?
C8 C12 1.501(3) . ?
C9 C10 1.373(4) . ?
C9 H9A 0.9300 . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
N3 C15 1.319(4) . ?
N3 C13 1.383(4) . ?
N3 C16 1.460(4) . ?
N4 C15 1.336(3) . ?
N4 C14 1.385(4) . ?
N4 C18 1.456(4) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.332(4) . ?
C13 H13A 0.9300 . ?
C14 H14A 0.9300 . ?
C15 C17 1.475(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.486(4) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.305(5) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C20 H20B 0.9300 . ?

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
N2 In1 N1 71.24(6) . . ?
N2 In1 Cl3 166.23(5) . . ?
N1 In1 Cl3 95.85(5) . . ?
N2 In1 Cl1 93.79(5) . . ?
N1 In1 Cl1 163.91(5) . . ?
Cl3 In1 Cl1 99.51(2) . . ?
N2 In1 Cl4 89.27(5) . . ?
N1 In1 Cl4 82.96(5) . . ?
Cl3 In1 Cl4 93.98(3) . . ?
Cl1 In1 Cl4 91.19(2) . . ?
N2 In1 Cl2 85.08(5) . . ?
N1 In1 Cl2 90.62(5) . . ?
Cl3 In1 Cl2 90.42(2) . . ?
Cl1 In1 Cl2 94.02(2) . . ?
Cl4 In1 Cl2 172.55(2) . . ?
C1 N1 C5 118.84(19) . . ?
C1 N1 In1 123.03(16) . . ?
C5 N1 In1 117.53(14) . . ?
C10 N2 C6 118.0(2) . . ?
C10 N2 In1 124.02(16) . . ?
C6 N2 In1 117.99(14) . . ?
N1 C1 C2 122.3(2) . . ?
N1 C1 H1A 118.8 . . ?
C2 C1 H1A 118.8 . . ?
C3 C2 C1 119.7(2) . . ?
C3 C2 H2A 120.1 . . ?
C1 C2 H2A 120.1 . . ?
C2 C3 C4 117.9(2) . . ?
C2 C3 C11 121.3(2) . . ?
C4 C3 C11 120.8(3) . . ?
C5 C4 C3 119.8(2) . . ?
C5 C4 H4A 120.1 . . ?
C3 C4 H4A 120.1 . . ?
N1 C5 C4 121.4(2) . . ?
N1 C5 C6 116.69(18) . . ?
C4 C5 C6 121.9(2) . . ?
N2 C6 C7 121.5(2) . . ?
N2 C6 C5 116.10(19) . . ?
C7 C6 C5 122.4(2) . . ?
C6 C7 C8 120.7(2) . . ?
C6 C7 H7A 119.7 . . ?
C8 C7 H7A 119.7 . . ?
C9 C8 C7 116.9(2) . . ?
C9 C8 C12 122.3(2) . . ?
C7 C8 C12 120.9(2) . . ?
C10 C9 C8 119.9(2) . . ?
C10 C9 H9A 120.0 . . ?
C8 C9 H9A 120.0 . . ?
N2 C10 C9 123.1(2) . . ?
N2 C10 H10A 118.5 . . ?
C9 C10 H10A 118.5 . . ?
C3 C11 H11A 109.5 . . ?
C3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C15 N3 C13 108.9(3) . . ?
C15 N3 C16 126.7(3) . . ?
C13 N3 C16 124.3(3) . . ?
C15 N4 C14 108.7(3) . . ?
C15 N4 C18 126.2(2) . . ?
C14 N4 C18 125.1(2) . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 N3 107.5(3) . . ?
C14 C13 H13A 126.2 . . ?
N3 C13 H13A 126.2 . . ?
C13 C14 N4 106.8(3) . . ?
C13 C14 H14A 126.6 . . ?
N4 C14 H14A 126.6 . . ?
N3 C15 N4 108.1(2) . . ?
N3 C15 C17 126.3(3) . . ?
N4 C15 C17 125.7(3) . . ?
N3 C16 H16A 109.5 . . ?
N3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N4 C18 C19 113.4(2) . . ?
N4 C18 H18A 108.9 . . ?
C19 C18 H18A 108.9 . . ?
N4 C18 H18B 108.9 . . ?
C19 C18 H18B 108.9 . . ?
H18A C18 H18B 107.7 . . ?
C20 C19 C18 126.5(3) . . ?
C20 C19 H19A 116.7 . . ?
C18 C19 H19A 116.7 . . ?
C19 C20 H20A 120.0 . . ?
C19 C20 H20B 120.0 . . ?
H20A C20 H20B 120.0 . . ?

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
C5 N1 C1 C2 -0.3(4) . . . . ?
In1 N1 C1 C2 170.6(2) . . . . ?
N1 C1 C2 C3 -0.1(4) . . . . ?
C1 C2 C3 C4 0.8(4) . . . . ?
C1 C2 C3 C11 -179.4(3) . . . . ?
C2 C3 C4 C5 -1.1(4) . . . . ?
C11 C3 C4 C5 179.1(3) . . . . ?
C1 N1 C5 C4 0.1(3) . . . . ?
In1 N1 C5 C4 -171.39(18) . . . . ?
C1 N1 C5 C6 179.4(2) . . . . ?
In1 N1 C5 C6 7.9(3) . . . . ?
C3 C4 C5 N1 0.7(4) . . . . ?
C3 C4 C5 C6 -178.6(2) . . . . ?
C10 N2 C6 C7 -0.5(3) . . . . ?
In1 N2 C6 C7 -178.28(17) . . . . ?
C10 N2 C6 C5 179.0(2) . . . . ?
In1 N2 C6 C5 1.3(2) . . . . ?
N1 C5 C6 N2 -6.1(3) . . . . ?
C4 C5 C6 N2 173.2(2) . . . . ?
N1 C5 C6 C7 173.5(2) . . . . ?
C4 C5 C6 C7 -7.3(3) . . . . ?
N2 C6 C7 C8 -0.5(4) . . . . ?
C5 C6 C7 C8 179.9(2) . . . . ?
C6 C7 C8 C9 1.1(4) . . . . ?
C6 C7 C8 C12 -178.8(2) . . . . ?
C7 C8 C9 C10 -0.7(4) . . . . ?
C12 C8 C9 C10 179.3(3) . . . . ?
C6 N2 C10 C9 1.0(4) . . . . ?
In1 N2 C10 C9 178.6(2) . . . . ?
C8 C9 C10 N2 -0.4(5) . . . . ?
C15 N3 C13 C14 1.0(3) . . . . ?
C16 N3 C13 C14 178.0(3) . . . . ?
N3 C13 C14 N4 -0.7(3) . . . . ?
C15 N4 C14 C13 0.2(3) . . . . ?
C18 N4 C14 C13 179.5(3) . . . . ?
C13 N3 C15 N4 -0.9(3) . . . . ?
C16 N3 C15 N4 -177.8(3) . . . . ?
C13 N3 C15 C17 179.4(3) . . . . ?
C16 N3 C15 C17 2.5(5) . . . . ?
C14 N4 C15 N3 0.4(3) . . . . ?
C18 N4 C15 N3 -178.8(2) . . . . ?
C14 N4 C15 C17 -179.9(3) . . . . ?
C18 N4 C15 C17 0.9(4) . . . . ?
C15 N4 C18 C19 88.6(3) . . . . ?
C14 N4 C18 C19 -90.5(3) . . . . ?
N4 C18 C19 C20 -3.5(5) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C1 H1A Cl3 0.93 2.90 3.542(3) 127.1 . yes
C2 H2A Cl1 0.93 2.84 3.514(3) 130.2 4_575 yes
C4 H4A Cl2 0.93 2.93 3.785(3) 152.8 3_566 yes
C7 H7A Cl2 0.93 2.71 3.592(2) 159.6 3_566 yes
C9 H9A Cl2 0.93 2.82 3.662(3) 150.5 2_546 yes
C10 H10A Cl1 0.93 2.86 3.496(3) 126.9 . yes
C13 H13A Cl3 0.93 2.84 3.541(3) 132.7 3_666 yes
C14 H14A Cl1 0.93 2.85 3.632(3) 142.5 4_565 yes
C17 H17B Cl4 0.96 2.77 3.691(3) 160.7 2_646 yes
C18 H18A Cl4 0.97 2.95 3.839(3) 152.1 2_646 yes
C18 H18B Cl1 0.97 2.93 3.655(3) 132.3 4_565 yes

_refine_diff_density_max         0.743
_refine_diff_density_min         -0.929
_refine_diff_density_rms         0.071



