# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_181112h
_database_code_depnum_ccdc_archive 'CCDC 2055978'
loop_
_audit_author_name
_audit_author_address
Wang
;North University of China
China
;
_audit_update_record             
;
2021-01-14 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_audit_creation_date             2021-01-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.13(C176 H144 Cl24 Cu24 N80)'
_chemical_formula_sum            'C22 H18 Cl3 Cu3 N10'
_chemical_formula_weight         719.43
_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'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 '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           69
_space_group_name_H-M_alt        'F m m m'
_space_group_name_Hall           '-F 2 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x, -y, -z'
'-x, y, -z'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x, -y+1/2, -z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+1/2, -y, -z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'-x, y, z'
'x, -y, z'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'-x, y+1/2, z+1/2'
'x, -y+1/2, z+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'-x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z'

_cell_length_a                   14.3530(13)
_cell_length_b                   30.106(3)
_cell_length_c                   26.328(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11376.7(18)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    1611
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.065
_cell_measurement_theta_min      2.595
_shelx_estimated_absorpt_T_max   0.618
_shelx_estimated_absorpt_T_min   0.537
_exptl_absorpt_coefficient_mu    2.536
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5728
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0847
_diffrn_reflns_av_unetI/netI     0.1121
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13688
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.017
_diffrn_reflns_theta_max         25.017
_diffrn_reflns_theta_min         2.595
_diffrn_ambient_temperature      298.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1035
_reflns_number_total             2714
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 V6.36A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V6.36A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.363
_refine_diff_density_min         -1.889
_refine_diff_density_rms         0.170
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.828
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     229
_refine_ls_number_reflns         2714
_refine_ls_number_restraints     51
_refine_ls_R_factor_all          0.1469
_refine_ls_R_factor_gt           0.0809
_refine_ls_restrained_S_all      0.827
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1322P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2076
_refine_ls_wR_factor_ref         0.2339
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C15-C13 = C14-N8 = C17-C16
 1.37 with sigma of 0.02
3. Rigid bond restraints
 C15
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
N1 \\sim C1 \\sim Cu1 \\sim Cl1: within 3.8A with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C8) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C13) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Others
 Fixed Sof: Cu4(0.25) Cl4(0.25) N8(0.5) C14(0.5) H14(0.5) C13(0.5) C15(0.5)
 H15(0.5) C17(0.5) H17(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C15(H15), C17(H17), C3(H3), C6(H6), C12(H12), C1(H1), C10(H10),
 C9(H9), C11(H11), C5(H5), C4(H4), C7(H7), C8(H8)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.40243(15) 0.000000 0.000000 0.0508(6) Uani 1 4 d S TU P . .
Cu3 Cu 0.500000 0.25224(4) 0.06307(7) 0.0655(6) Uani 1 2 d S T P . .
Cu2 Cu 0.250000 0.250000 0.18669(7) 0.0661(6) Uani 1 2 d S T P . .
Cu4 Cu 0.6532(3) 0.000000 0.24935(10) 0.0700(11) Uani 0.5 2 d S T P . .
Cl4 Cl 0.7503(4) 0.000000 0.3263(2) 0.0569(18) Uani 0.5 2 d S T P A .
Cl1 Cl 0.500000 0.000000 -0.07593(12) 0.0381(9) Uani 1 4 d S TU P . .
Cl3 Cl 0.3758(2) 0.25000(9) 0.000000 0.0591(10) Uani 1 2 d S T P . .
Cl2 Cl 0.3736(2) 0.250000 0.250000 0.0618(11) Uani 1 2 d S T P . .
N8 N 0.5808(12) 0.0588(4) 0.2488(4) 0.061(4) Uani 0.5 1 d D . . A -1
C14 C 0.5590(12) 0.0817(4) 0.2059(5) 0.057(5) Uani 0.5 1 d D . . A -1
H14 H 0.571686 0.068183 0.174851 0.068 Uiso 0.5 1 calc R . . A -1
C13 C 0.5230(11) 0.1196(4) 0.2051(5) 0.038(5) Uani 0.5 1 d D U . A -1
C15 C 0.508(4) 0.1424(5) 0.2503(4) 0.043(6) Uani 0.5 1 d D U . A -1
H15 H 0.502812 0.173176 0.250073 0.052 Uiso 0.5 1 calc R . . A -1
C17 C 0.5540(12) 0.0807(5) 0.2921(6) 0.070(6) Uani 0.5 1 d D . . A -1
H17 H 0.574018 0.068446 0.322673 0.084 Uiso 0.5 1 calc R . . A -1
N7 N 0.500000 0.1423(3) 0.1580(3) 0.044(2) Uani 1 2 d S T P . .
N6 N 0.500000 0.1949(3) 0.1003(3) 0.049(3) Uani 1 2 d S T P . .
N3 N 0.2469(4) 0.1938(3) 0.1496(3) 0.049(2) Uani 1 1 d . . . . .
N2 N 0.2557(4) 0.1419(3) 0.0924(3) 0.048(2) Uani 1 1 d . . . . .
N5 N 0.500000 0.3096(3) 0.0985(3) 0.060(3) Uani 1 2 d S T P . .
N1 N 0.3341(6) 0.0570(2) 0.000000 0.0391(18) Uani 1 2 d S TU P . .
N4 N 0.500000 0.3617(3) 0.1576(3) 0.053(3) Uani 1 2 d S T P . .
C3 C 0.2509(7) 0.1427(4) 0.000000 0.044(3) Uani 1 2 d S T P . .
H3 H 0.221523 0.170244 0.000002 0.052 Uiso 1 2 calc RS T P . .
C6 C 0.2611(5) 0.1858(3) 0.1018(3) 0.048(2) Uani 1 1 d . . . . .
H6 H 0.273300 0.207397 0.077417 0.057 Uiso 1 1 calc R . . . .
C12 C 0.500000 0.1856(4) 0.1487(4) 0.057(3) Uani 1 2 d S T P A .
H12 H 0.500000 0.207155 0.174044 0.068 Uiso 1 2 calc RS T P . .
C2 C 0.2750(5) 0.1200(2) 0.0440(3) 0.0363(19) Uani 1 1 d . . . . .
C1 C 0.3131(5) 0.0786(2) 0.0436(2) 0.0385(16) Uani 1 1 d . U . . .
H1 H 0.325221 0.064723 0.074455 0.046 Uiso 1 1 calc R . . . .
C10 C 0.500000 0.1557(4) 0.0777(5) 0.062(3) Uani 1 2 d S T P A .
H10 H 0.500000 0.151573 0.042709 0.075 Uiso 1 2 calc RS T P . .
C9 C 0.500000 0.3180(4) 0.1469(4) 0.056(3) Uani 1 2 d S T P A .
H9 H 0.500000 0.295947 0.171628 0.067 Uiso 1 2 calc RS T P . .
C11 C 0.500000 0.1209(4) 0.1134(4) 0.057(3) Uani 1 2 d S T P A .
H11 H 0.500000 0.090478 0.107476 0.068 Uiso 1 2 calc RS T P . .
C5 C 0.2336(6) 0.1521(3) 0.1721(3) 0.062(3) Uani 1 1 d . . . . .
H5 H 0.221675 0.147855 0.206454 0.074 Uiso 1 1 calc R . . . .
C4 C 0.2398(6) 0.1195(3) 0.1388(4) 0.064(3) Uani 1 1 d . . . . .
H4 H 0.234997 0.089091 0.144497 0.076 Uiso 1 1 calc R . . . .
C7 C 0.500000 0.3826(5) 0.1140(4) 0.080(5) Uani 1 2 d S T P A .
H7 H 0.500000 0.413182 0.108795 0.096 Uiso 1 2 calc RS T P . .
C8 C 0.500000 0.3499(6) 0.0774(6) 0.095(5) Uani 1 2 d S TU P A .
H8 H 0.500000 0.355225 0.042592 0.114 Uiso 1 2 calc RS T P . .
C16 C 0.500000 0.1193(4) 0.2955(5) 0.067(4) Uani 1 2 d DS T P . .


_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 Cu1 2.801(4) 17_655 ?
Cu1 Cl1 2.441(3) . ?
Cu1 Cl1 2.441(3) 17_655 ?
Cu1 N1 1.977(7) 3 ?
Cu1 N1 1.977(7) . ?
Cu3 Cl3 2.437(3) 19_655 ?
Cu3 Cl3 2.437(3) . ?
Cu3 N6 1.985(9) . ?
Cu3 N5 1.964(9) . ?
Cu2 Cl2 2.435(3) 14 ?
Cu2 Cl2 2.435(3) . ?
Cu2 N3 1.953(7) . ?
Cu2 N3 1.953(7) 14 ?
Cu4 Cu4 2.778(9) 25_655 ?
Cu4 Cl4 2.458(7) . ?
Cu4 Cl4 2.425(7) 25_655 ?
Cu4 N8 2.054(14) . ?
N8 C14 1.358(13) . ?
N8 C17 1.372(18) . ?
C14 H14 0.9300 . ?
C14 C13 1.255(16) . ?
C13 C15 1.389(13) . ?
C13 N7 1.453(14) . ?
C15 H15 0.9300 . ?
C15 C16 1.384(16) . ?
C17 H17 0.9300 . ?
C17 C16 1.401(14) . ?
N7 C12 1.328(13) . ?
N7 C11 1.339(12) . ?
N6 C12 1.305(14) . ?
N6 C10 1.322(14) . ?
N3 C6 1.297(11) . ?
N3 C5 1.403(11) . ?
N2 C6 1.349(10) . ?
N2 C2 1.460(9) . ?
N2 C4 1.414(10) . ?
N5 C9 1.299(14) . ?
N5 C8 1.333(17) . ?
N1 C1 1.354(7) 18 ?
N1 C1 1.354(7) . ?
N4 C9 1.345(14) . ?
N4 C7 1.311(13) . ?
N4 C16 1.360(14) 21_655 ?
C3 H3 0.9300 . ?
C3 C2 1.388(9) . ?
C3 C2 1.388(9) 18 ?
C6 H6 0.9300 . ?
C12 H12 0.9300 . ?
C2 C1 1.361(9) . ?
C1 H1 0.9300 . ?
C10 H10 0.9300 . ?
C10 C11 1.406(15) . ?
C9 H9 0.9300 . ?
C11 H11 0.9300 . ?
C5 H5 0.9300 . ?
C5 C4 1.318(12) . ?
C4 H4 0.9300 . ?
C7 H7 0.9300 . ?
C7 C8 1.377(17) . ?
C8 H8 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
Cl1 Cu1 Cu1 54.99(6) 17_655 17_655 ?
Cl1 Cu1 Cu1 54.99(6) . 17_655 ?
Cl1 Cu1 Cl1 109.97(12) 17_655 . ?
N1 Cu1 Cu1 119.8(2) . 17_655 ?
N1 Cu1 Cu1 119.8(2) 3 17_655 ?
N1 Cu1 Cl1 106.54(13) 3 17_655 ?
N1 Cu1 Cl1 106.54(13) . . ?
N1 Cu1 Cl1 106.54(13) . 17_655 ?
N1 Cu1 Cl1 106.54(13) 3 . ?
N1 Cu1 N1 120.5(5) 3 . ?
Cl3 Cu3 Cl3 94.02(12) . 19_655 ?
N6 Cu3 Cl3 108.19(18) . 19_655 ?
N6 Cu3 Cl3 108.19(18) . . ?
N5 Cu3 Cl3 110.35(19) . 19_655 ?
N5 Cu3 Cl3 110.35(19) . . ?
N5 Cu3 N6 122.1(4) . . ?
Cl2 Cu2 Cl2 93.58(13) 14 . ?
N3 Cu2 Cl2 109.0(2) . 14 ?
N3 Cu2 Cl2 109.0(2) 14 . ?
N3 Cu2 Cl2 111.05(19) . . ?
N3 Cu2 Cl2 111.05(19) 14 14 ?
N3 Cu2 N3 120.0(5) . 14 ?
Cl4 Cu4 Cu4 54.77(18) . 25_655 ?
Cl4 Cu4 Cu4 55.88(18) 25_655 25_655 ?
Cl4 Cu4 Cl4 110.6(2) 25_655 . ?
N8 Cu4 Cu4 120.4(5) . 25_655 ?
N8 Cu4 Cl4 106.4(4) . 25_655 ?
N8 Cu4 Cl4 107.0(4) . . ?
Cu4 Cl4 Cu4 69.3(2) 25_655 . ?
Cu1 Cl1 Cu1 70.03(12) . 17_655 ?
Cu3 Cl3 Cu3 85.89(12) . 18 ?
Cu2 Cl2 Cu2 86.42(13) 7 . ?
C14 N8 Cu4 124.0(10) . . ?
C14 N8 C17 112.6(14) . . ?
C17 N8 Cu4 123.3(10) . . ?
N8 C14 H14 117.7 . . ?
C13 C14 N8 124.7(15) . . ?
C13 C14 H14 117.7 . . ?
C14 C13 C15 120.0(16) . . ?
C14 C13 N7 122.4(11) . . ?
C15 C13 N7 117.6(12) . . ?
C13 C15 H15 119.9 . . ?
C16 C15 C13 120.2(13) . . ?
C16 C15 H15 119.9 . . ?
N8 C17 H17 116.3 . . ?
N8 C17 C16 127.3(14) . . ?
C16 C17 H17 116.3 . . ?
C12 N7 C13 128.3(9) . . ?
C12 N7 C11 108.1(10) . . ?
C11 N7 C13 121.5(9) . . ?
C12 N6 Cu3 131.9(8) . . ?
C12 N6 C10 104.4(10) . . ?
C10 N6 Cu3 123.7(8) . . ?
C6 N3 Cu2 130.0(7) . . ?
C6 N3 C5 105.3(7) . . ?
C5 N3 Cu2 124.6(6) . . ?
C6 N2 C2 126.3(8) . . ?
C6 N2 C4 108.5(8) . . ?
C4 N2 C2 124.8(8) . . ?
C9 N5 Cu3 129.5(9) . . ?
C9 N5 C8 103.5(11) . . ?
C8 N5 Cu3 127.1(9) . . ?
C1 N1 Cu1 121.9(4) 18 . ?
C1 N1 Cu1 121.9(4) . . ?
C1 N1 C1 116.0(8) 18 . ?
C9 N4 C16 127.1(10) . 21_655 ?
C7 N4 C9 106.6(11) . . ?
C7 N4 C16 126.3(11) . 21_655 ?
C2 C3 H3 123.5 18 . ?
C2 C3 H3 123.5 . . ?
C2 C3 C2 113.1(10) . 18 ?
N3 C6 N2 110.6(9) . . ?
N3 C6 H6 124.7 . . ?
N2 C6 H6 124.7 . . ?
N7 C12 H12 123.5 . . ?
N6 C12 N7 113.0(10) . . ?
N6 C12 H12 123.5 . . ?
C3 C2 N2 117.3(7) . . ?
C1 C2 N2 119.6(7) . . ?
C1 C2 C3 123.0(8) . . ?
N1 C1 C2 122.4(7) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
N6 C10 H10 124.3 . . ?
N6 C10 C11 111.4(10) . . ?
C11 C10 H10 124.3 . . ?
N5 C9 N4 113.3(11) . . ?
N5 C9 H9 123.4 . . ?
N4 C9 H9 123.4 . . ?
N7 C11 C10 103.2(10) . . ?
N7 C11 H11 128.4 . . ?
C10 C11 H11 128.4 . . ?
N3 C5 H5 123.9 . . ?
C4 C5 N3 112.2(8) . . ?
C4 C5 H5 123.9 . . ?
N2 C4 H4 128.3 . . ?
C5 C4 N2 103.4(9) . . ?
C5 C4 H4 128.3 . . ?
N4 C7 H7 127.2 . . ?
N4 C7 C8 105.6(13) . . ?
C8 C7 H7 127.2 . . ?
N5 C8 C7 111.0(13) . . ?
N5 C8 H8 124.5 . . ?
C7 C8 H8 124.5 . . ?
C15 C16 C17 108.5(17) . . ?
N4 C16 C15 124.7(11) 21_655 . ?
N4 C16 C17 114.1(10) 21_655 . ?

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 172.9(6) . . . . ?
Cu3 N6 C12 N7 180.000(1) . . . . ?
Cu3 N6 C10 C11 180.000(1) . . . . ?
Cu3 N5 C9 N4 180.000(1) . . . . ?
Cu3 N5 C8 C7 180.000(2) . . . . ?
Cu2 N3 C6 N2 177.6(5) . . . . ?
Cu2 N3 C5 C4 -176.3(6) . . . . ?
Cu4 N8 C14 C13 -172.7(14) . . . . ?
Cu4 N8 C17 C16 -175.9(10) . . . . ?
N8 C14 C13 C15 4(4) . . . . ?
N8 C14 C13 N7 -179.2(15) . . . . ?
N8 C17 C16 C15 -24(3) . . . . ?
N8 C17 C16 N4 -167.5(15) . . . 21_655 ?
C14 N8 C17 C16 8(3) . . . . ?
C14 C13 C15 C16 -23(6) . . . . ?
C14 C13 N7 C12 -148.7(13) . . . . ?
C14 C13 N7 C11 12.4(19) . . . . ?
C13 C15 C16 C17 30(5) . . . . ?
C13 C15 C16 N4 169(3) . . . 21_655 ?
C13 N7 C12 N6 163.2(8) . . . . ?
C13 N7 C11 C10 -164.5(7) . . . . ?
C15 C13 N7 C12 28(3) . . . . ?
C15 C13 N7 C11 -171(3) . . . . ?
C17 N8 C14 C13 4(3) . . . . ?
N7 C13 C15 C16 160(3) . . . . ?
N6 C10 C11 N7 0.000(1) . . . . ?
N3 C5 C4 N2 -1.5(10) . . . . ?
N2 C2 C1 N1 -178.9(7) . . . . ?
N4 C7 C8 N5 0.000(2) . . . . ?
C3 C2 C1 N1 2.8(13) . . . . ?
C6 N3 C5 C4 0.2(10) . . . . ?
C6 N2 C2 C3 -35.1(11) . . . . ?
C6 N2 C2 C1 146.4(8) . . . . ?
C6 N2 C4 C5 2.3(9) . . . . ?
C12 N7 C11 C10 0.000(1) . . . . ?
C12 N6 C10 C11 0.000(1) . . . . ?
C2 N2 C6 N3 -174.8(6) . . . . ?
C2 N2 C4 C5 174.9(7) . . . . ?
C2 C3 C2 N2 177.8(5) 18 . . . ?
C2 C3 C2 C1 -3.8(15) 18 . . . ?
C1 N1 C1 C2 -1.3(14) 18 . . . ?
C10 N6 C12 N7 0.000(1) . . . . ?
C9 N5 C8 C7 0.000(2) . . . . ?
C9 N4 C7 C8 0.000(2) . . . . ?
C11 N7 C12 N6 0.000(1) . . . . ?
C5 N3 C6 N2 1.3(9) . . . . ?
C4 N2 C6 N3 -2.3(9) . . . . ?
C4 N2 C2 C3 153.5(8) . . . . ?
C4 N2 C2 C1 -24.9(11) . . . . ?
C7 N4 C9 N5 0.000(2) . . . . ?
C8 N5 C9 N4 0.000(2) . . . . ?
C16 N4 C9 N5 180.000(2) 21_655 . . . ?
C16 N4 C7 C8 180.000(2) 21_655 . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
