# Supplementary Information (SI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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. 
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data_11
_database_code_depnum_ccdc_archive 'CCDC 2377249'
loop_
_audit_author_name
_audit_author_address
'H. H. Li'
;Fuzhou University
China
;
_audit_update_record             
;
2024-08-13 deposited with the CCDC.	2025-01-27 downloaded from the CCDC.
;
_audit_creation_date             2024-07-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H16 Cu I N4, 0.5(S8), 0.5(Cu2 I4)'
_chemical_formula_sum            'C24 H16 Cu2 I3 N4 S4'
_chemical_formula_weight         996.45
_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 0.0033 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_space_group_name_Hall           '-P 2ab 2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'

_cell_length_a                   23.119(2)
_cell_length_b                   15.1711(12)
_cell_length_c                   16.9715(15)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5952.7(9)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      24.26
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.844
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5448
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1021 before and 0.0462 after correction.
The Ratio of minimum to maximum transmission is 0.7311.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.224
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3752
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            45973
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.064
_diffrn_reflns_theta_max         25.064
_diffrn_reflns_theta_min         2.004
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3729
_reflns_number_total             5272
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.430
_refine_diff_density_min         -1.521
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       0.00016(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   0.677
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         5272
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0443
_refine_ls_restrained_S_all      0.677
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1945P)²+46.3162P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1565
_refine_ls_wR_factor_ref         0.1980
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Fixed Sof: I4(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C13(H13),
 C14(H14), C15(H15), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22)
;
_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
Cu1 Cu 0.50625(4) 0.51822(7) 0.25110(5) 0.0468(3) Uani 1 1 d . . . . .
Cu2 Cu 0.75157(6) 0.33859(9) 0.37659(7) 0.0764(5) Uani 1 1 d . . . . .
I1 I 0.51628(3) 0.69370(4) 0.24653(4) 0.0683(3) Uani 1 1 d . . . . .
I2 I 0.750000 0.250000 0.50567(5) 0.0559(3) Uani 1 2 d S T P . .
I3 I 0.75372(2) 0.50315(4) 0.37055(4) 0.0621(3) Uani 1 1 d . . . . .
I4 I 0.71519(10) 0.26623(10) 0.25323(7) 0.0927(6) Uani 0.5 1 d . . P . .
S1 S 0.28203(13) 0.29678(18) 0.46514(15) 0.0759(7) Uani 1 1 d . . . . .
S2 S 0.34336(12) 0.26056(16) 0.38519(16) 0.0684(7) Uani 1 1 d . . . . .
S3 S 0.32597(11) 0.33048(15) 0.28460(15) 0.0673(6) Uani 1 1 d . . . . .
S4 S 0.29402(12) 0.24274(16) 0.20470(14) 0.0676(7) Uani 1 1 d . . . . .
N1 N 0.4341(3) 0.5226(4) 0.3155(4) 0.0470(15) Uani 1 1 d . . . . .
N2 N 0.5312(3) 0.4335(4) 0.3431(4) 0.0432(14) Uani 1 1 d . . . . .
N3 N 0.5783(3) 0.5013(4) 0.1889(4) 0.0462(15) Uani 1 1 d . . . . .
N4 N 0.4720(3) 0.4474(4) 0.1538(4) 0.0452(14) Uani 1 1 d . . . . .
C1 C 0.3856(4) 0.5680(6) 0.3009(6) 0.063(2) Uani 1 1 d . . . . .
H1 H 0.382832 0.599640 0.254139 0.075 Uiso 1 1 calc R U . . .
C2 C 0.3393(4) 0.5696(6) 0.3530(6) 0.065(2) Uani 1 1 d . . . . .
H2 H 0.305985 0.600986 0.340513 0.078 Uiso 1 1 calc R U . . .
C3 C 0.3428(3) 0.5251(6) 0.4221(6) 0.060(2) Uani 1 1 d . . . . .
H3 H 0.312079 0.526737 0.457452 0.071 Uiso 1 1 calc R U . . .
C4 C 0.3924(3) 0.4771(5) 0.4404(5) 0.0504(19) Uani 1 1 d . . . . .
C5 C 0.4002(4) 0.4296(6) 0.5127(5) 0.060(2) Uani 1 1 d . . . . .
H5 H 0.371009 0.430055 0.550451 0.072 Uiso 1 1 calc R U . . .
C6 C 0.4490(4) 0.3848(6) 0.5265(5) 0.061(2) Uani 1 1 d . . . . .
H6 H 0.453026 0.354213 0.573670 0.073 Uiso 1 1 calc R U . . .
C7 C 0.4954(4) 0.3829(5) 0.4702(5) 0.0484(19) Uani 1 1 d . . . . .
C8 C 0.5481(4) 0.3388(6) 0.4820(5) 0.061(2) Uani 1 1 d . . . . .
H8 H 0.554719 0.307708 0.528376 0.073 Uiso 1 1 calc R U . . .
C9 C 0.5891(4) 0.3421(6) 0.4255(6) 0.062(2) Uani 1 1 d . . . . .
H9 H 0.624059 0.312812 0.432857 0.075 Uiso 1 1 calc R U . . .
C10 C 0.5796(4) 0.3888(6) 0.3562(6) 0.059(2) Uani 1 1 d . . . . .
H10 H 0.608117 0.388755 0.317642 0.071 Uiso 1 1 calc R U . . .
C11 C 0.4896(3) 0.4291(5) 0.3988(4) 0.0391(16) Uani 1 1 d . . . . .
C12 C 0.4371(3) 0.4772(5) 0.3837(4) 0.0434(17) Uani 1 1 d . . . . .
C13 C 0.6309(3) 0.5295(6) 0.2082(5) 0.055(2) Uani 1 1 d . . . . .
H13 H 0.636041 0.559039 0.255766 0.066 Uiso 1 1 calc R U . . .
C14 C 0.6787(3) 0.5162(6) 0.1593(6) 0.060(2) Uani 1 1 d . . . . .
H14 H 0.714953 0.536333 0.174609 0.072 Uiso 1 1 calc R U . . .
C15 C 0.6721(3) 0.4741(6) 0.0899(5) 0.057(2) Uani 1 1 d . . . . .
H15 H 0.703884 0.464377 0.057360 0.068 Uiso 1 1 calc R U . . .
C16 C 0.6164(3) 0.4450(5) 0.0669(4) 0.0457(17) Uani 1 1 d . . . . .
C17 C 0.6045(3) 0.4030(5) -0.0062(5) 0.0503(19) Uani 1 1 d . . . . .
H17 H 0.634631 0.393299 -0.041497 0.060 Uiso 1 1 calc R U . . .
C18 C 0.5509(4) 0.3769(5) -0.0256(5) 0.053(2) Uani 1 1 d . . . . .
H18 H 0.544194 0.351156 -0.074467 0.063 Uiso 1 1 calc R U . . .
C19 C 0.5034(3) 0.3884(5) 0.0288(5) 0.0477(18) Uani 1 1 d . . . . .
C20 C 0.4464(4) 0.3609(5) 0.0129(5) 0.056(2) Uani 1 1 d . . . . .
H20 H 0.437563 0.332401 -0.034130 0.067 Uiso 1 1 calc R U . . .
C21 C 0.4038(4) 0.3770(6) 0.0678(6) 0.063(2) Uani 1 1 d . . . . .
H21 H 0.366099 0.358117 0.058956 0.075 Uiso 1 1 calc R U . . .
C22 C 0.4181(3) 0.4222(6) 0.1374(5) 0.054(2) Uani 1 1 d . . . . .
H22 H 0.388911 0.435009 0.173238 0.065 Uiso 1 1 calc R U . . .
C23 C 0.5136(3) 0.4299(5) 0.1003(4) 0.0398(16) Uani 1 1 d . . . . .
C24 C 0.5712(3) 0.4591(5) 0.1196(4) 0.0384(16) 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
Cu1 I1 2.6735(13) . ?
Cu1 N1 1.995(6) . ?
Cu1 N2 2.103(6) . ?
Cu1 N3 1.989(6) . ?
Cu1 N4 2.122(6) . ?
Cu2 Cu2 2.689(3) 2_655 ?
Cu2 I2 2.5702(14) . ?
Cu2 I3 2.4992(15) . ?
Cu2 I4 2.739(2) 2_655 ?
Cu2 I4 2.5092(18) . ?
I4 I4 1.683(5) 2_655 ?
S1 S1 2.051(5) 2 ?
S1 S2 2.038(4) . ?
S2 S3 2.050(4) . ?
S3 S4 2.039(4) . ?
S4 S4 2.047(6) 2 ?
N1 C1 1.339(10) . ?
N1 C12 1.349(10) . ?
N2 C10 1.326(10) . ?
N2 C11 1.351(9) . ?
N3 C13 1.331(10) . ?
N3 C24 1.348(9) . ?
N4 C22 1.333(10) . ?
N4 C23 1.349(9) . ?
C1 H1 0.9300 . ?
C1 C2 1.389(12) . ?
C2 H2 0.9300 . ?
C2 C3 1.355(13) . ?
C3 H3 0.9300 . ?
C3 C4 1.395(12) . ?
C4 C5 1.435(12) . ?
C4 C12 1.411(11) . ?
C5 H5 0.9300 . ?
C5 C6 1.338(13) . ?
C6 H6 0.9300 . ?
C6 C7 1.437(12) . ?
C7 C8 1.405(12) . ?
C7 C11 1.406(10) . ?
C8 H8 0.9300 . ?
C8 C9 1.350(13) . ?
C9 H9 0.9300 . ?
C9 C10 1.390(13) . ?
C10 H10 0.9300 . ?
C11 C12 1.438(10) . ?
C13 H13 0.9300 . ?
C13 C14 1.396(12) . ?
C14 H14 0.9300 . ?
C14 C15 1.349(13) . ?
C15 H15 0.9300 . ?
C15 C16 1.417(11) . ?
C16 C17 1.422(11) . ?
C16 C24 1.392(10) . ?
C17 H17 0.9300 . ?
C17 C18 1.343(11) . ?
C18 H18 0.9300 . ?
C18 C19 1.444(11) . ?
C19 C20 1.410(11) . ?
C19 C23 1.387(11) . ?
C20 H20 0.9300 . ?
C20 C21 1.377(13) . ?
C21 H21 0.9300 . ?
C21 C22 1.405(12) . ?
C22 H22 0.9300 . ?
C23 C24 1.442(10) . ?

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
N1 Cu1 I1 93.16(19) . . ?
N1 Cu1 N2 81.0(2) . . ?
N1 Cu1 N4 97.5(3) . . ?
N2 Cu1 I1 127.30(17) . . ?
N2 Cu1 N4 111.8(2) . . ?
N3 Cu1 I1 92.32(19) . . ?
N3 Cu1 N1 174.4(3) . . ?
N3 Cu1 N2 94.9(2) . . ?
N3 Cu1 N4 80.5(2) . . ?
N4 Cu1 I1 120.91(17) . . ?
Cu2 Cu2 I4 55.06(4) 2_655 2_655 ?
I2 Cu2 Cu2 58.46(3) . 2_655 ?
I2 Cu2 I4 110.60(6) . 2_655 ?
I3 Cu2 Cu2 177.61(3) . 2_655 ?
I3 Cu2 I2 123.89(6) . . ?
I3 Cu2 I4 114.17(6) . . ?
I3 Cu2 I4 122.89(6) . 2_655 ?
I4 Cu2 Cu2 63.49(5) . 2_655 ?
I4 Cu2 I2 118.53(6) . . ?
I4 Cu2 I4 37.09(10) . 2_655 ?
Cu2 I2 Cu2 63.08(7) 2_655 . ?
Cu2 I4 Cu2 61.45(6) . 2_655 ?
I4 I4 Cu2 64.01(7) 2_655 2_655 ?
I4 I4 Cu2 78.90(8) 2_655 . ?
S2 S1 S1 108.40(17) . 2 ?
S1 S2 S3 106.17(16) . . ?
S4 S3 S2 106.69(14) . . ?
S3 S4 S4 106.85(14) . 2 ?
C1 N1 Cu1 128.0(6) . . ?
C1 N1 C12 117.7(7) . . ?
C12 N1 Cu1 114.2(5) . . ?
C10 N2 Cu1 131.9(6) . . ?
C10 N2 C11 117.3(7) . . ?
C11 N2 Cu1 110.7(5) . . ?
C13 N3 Cu1 126.4(6) . . ?
C13 N3 C24 118.6(7) . . ?
C24 N3 Cu1 115.0(5) . . ?
C22 N4 Cu1 131.1(6) . . ?
C22 N4 C23 117.9(7) . . ?
C23 N4 Cu1 111.0(5) . . ?
N1 C1 H1 118.8 . . ?
N1 C1 C2 122.5(9) . . ?
C2 C1 H1 118.8 . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.7(8) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 119.9 . . ?
C2 C3 C4 120.1(8) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 C5 123.7(8) . . ?
C3 C4 C12 116.7(8) . . ?
C12 C4 C5 119.5(8) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.6(8) . . ?
C6 C5 H5 119.7 . . ?
C5 C6 H6 119.2 . . ?
C5 C6 C7 121.6(8) . . ?
C7 C6 H6 119.2 . . ?
C8 C7 C6 124.2(8) . . ?
C11 C7 C6 119.5(8) . . ?
C11 C7 C8 116.3(8) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 C7 119.3(8) . . ?
C9 C8 H8 120.3 . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C10 120.5(8) . . ?
C10 C9 H9 119.7 . . ?
N2 C10 C9 122.5(9) . . ?
N2 C10 H10 118.8 . . ?
C9 C10 H10 118.8 . . ?
N2 C11 C7 124.0(7) . . ?
N2 C11 C12 116.8(6) . . ?
C7 C11 C12 119.1(7) . . ?
N1 C12 C4 123.2(7) . . ?
N1 C12 C11 117.1(7) . . ?
C4 C12 C11 119.7(7) . . ?
N3 C13 H13 119.0 . . ?
N3 C13 C14 122.0(8) . . ?
C14 C13 H13 119.0 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0(7) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 120.4 . . ?
C14 C15 C16 119.3(7) . . ?
C16 C15 H15 120.4 . . ?
C15 C16 C17 123.7(7) . . ?
C24 C16 C15 117.3(7) . . ?
C24 C16 C17 119.0(7) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 C16 121.6(7) . . ?
C18 C17 H17 119.2 . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.7(7) . . ?
C19 C18 H18 119.7 . . ?
C20 C19 C18 123.6(8) . . ?
C23 C19 C18 119.0(7) . . ?
C23 C19 C20 117.4(7) . . ?
C19 C20 H20 120.4 . . ?
C21 C20 C19 119.1(8) . . ?
C21 C20 H20 120.4 . . ?
C20 C21 H21 120.4 . . ?
C20 C21 C22 119.1(8) . . ?
C22 C21 H21 120.4 . . ?
N4 C22 C21 122.5(8) . . ?
N4 C22 H22 118.8 . . ?
C21 C22 H22 118.8 . . ?
N4 C23 C19 123.9(7) . . ?
N4 C23 C24 116.4(6) . . ?
C19 C23 C24 119.7(7) . . ?
N3 C24 C16 122.8(7) . . ?
N3 C24 C23 117.2(6) . . ?
C16 C24 C23 120.0(7) . . ?

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
Cu1 N1 C1 C2 -176.2(7) . . . . ?
Cu1 N1 C12 C4 175.3(6) . . . . ?
Cu1 N1 C12 C11 -3.0(8) . . . . ?
Cu1 N2 C10 C9 174.1(6) . . . . ?
Cu1 N2 C11 C7 -175.2(5) . . . . ?
Cu1 N2 C11 C12 3.0(8) . . . . ?
Cu1 N3 C13 C14 -178.3(7) . . . . ?
Cu1 N3 C24 C16 177.1(5) . . . . ?
Cu1 N3 C24 C23 -1.5(8) . . . . ?
Cu1 N4 C22 C21 178.4(6) . . . . ?
Cu1 N4 C23 C19 -176.7(6) . . . . ?
Cu1 N4 C23 C24 1.7(8) . . . . ?
N1 C1 C2 C3 1.1(14) . . . . ?
N2 C11 C12 N1 -0.1(10) . . . . ?
N2 C11 C12 C4 -178.5(6) . . . . ?
N3 C13 C14 C15 0.5(14) . . . . ?
N4 C23 C24 N3 -0.3(10) . . . . ?
N4 C23 C24 C16 -178.9(7) . . . . ?
C1 N1 C12 C4 -1.4(11) . . . . ?
C1 N1 C12 C11 -179.7(7) . . . . ?
C1 C2 C3 C4 -0.9(14) . . . . ?
C2 C3 C4 C5 178.7(8) . . . . ?
C2 C3 C4 C12 -0.4(12) . . . . ?
C3 C4 C5 C6 -179.9(8) . . . . ?
C3 C4 C12 N1 1.6(11) . . . . ?
C3 C4 C12 C11 179.9(7) . . . . ?
C4 C5 C6 C7 0.5(12) . . . . ?
C5 C4 C12 N1 -177.6(7) . . . . ?
C5 C4 C12 C11 0.7(10) . . . . ?
C5 C6 C7 C8 178.5(8) . . . . ?
C5 C6 C7 C11 0.0(12) . . . . ?
C6 C7 C8 C9 -179.3(8) . . . . ?
C6 C7 C11 N2 178.0(7) . . . . ?
C6 C7 C11 C12 -0.1(10) . . . . ?
C7 C8 C9 C10 0.3(13) . . . . ?
C7 C11 C12 N1 178.1(7) . . . . ?
C7 C11 C12 C4 -0.2(10) . . . . ?
C8 C7 C11 N2 -0.6(11) . . . . ?
C8 C7 C11 C12 -178.7(7) . . . . ?
C8 C9 C10 N2 1.6(14) . . . . ?
C10 N2 C11 C7 2.4(11) . . . . ?
C10 N2 C11 C12 -179.5(7) . . . . ?
C11 N2 C10 C9 -2.9(12) . . . . ?
C11 C7 C8 C9 -0.7(11) . . . . ?
C12 N1 C1 C2 0.0(13) . . . . ?
C12 C4 C5 C6 -0.8(12) . . . . ?
C13 N3 C24 C16 -1.0(11) . . . . ?
C13 N3 C24 C23 -179.6(7) . . . . ?
C13 C14 C15 C16 0.9(14) . . . . ?
C14 C15 C16 C17 177.6(8) . . . . ?
C14 C15 C16 C24 -2.2(12) . . . . ?
C15 C16 C17 C18 -179.6(8) . . . . ?
C15 C16 C24 N3 2.3(11) . . . . ?
C15 C16 C24 C23 -179.2(7) . . . . ?
C16 C17 C18 C19 -1.9(12) . . . . ?
C17 C16 C24 N3 -177.5(7) . . . . ?
C17 C16 C24 C23 1.0(10) . . . . ?
C17 C18 C19 C20 -178.7(8) . . . . ?
C17 C18 C19 C23 2.5(12) . . . . ?
C18 C19 C20 C21 -178.3(8) . . . . ?
C18 C19 C23 N4 177.0(7) . . . . ?
C18 C19 C23 C24 -1.3(11) . . . . ?
C19 C20 C21 C22 1.6(13) . . . . ?
C19 C23 C24 N3 178.2(7) . . . . ?
C19 C23 C24 C16 -0.4(10) . . . . ?
C20 C19 C23 N4 -1.8(11) . . . . ?
C20 C19 C23 C24 179.9(7) . . . . ?
C20 C21 C22 N4 -2.6(13) . . . . ?
C22 N4 C23 C19 0.9(11) . . . . ?
C22 N4 C23 C24 179.3(7) . . . . ?
C23 N4 C22 C21 1.4(12) . . . . ?
C23 C19 C20 C21 0.5(12) . . . . ?
C24 N3 C13 C14 -0.4(12) . . . . ?
C24 C16 C17 C18 0.1(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
