# Supplementary Information (SI) for ChemComm.
# 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. 
# 
#######################################################################

data_cuphen_a
_database_code_depnum_ccdc_archive 'CCDC 2483123'
loop_
_audit_author_name
_audit_author_address
'Rajorshi Das'
;Department of Chemistry, SRM Institute of Science and Technology, Chennai, India
India
;
_audit_update_record             
;
2025-08-27 deposited with the CCDC.	2025-10-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT934_cuphen_a            
;
PROBLEM: Number of (Iobs-Icalc)/Sigma(W) > 10 Outliers ..          3 Check
RESPONSE: The three reflections flagged as outliers [(6 0 0), (--6 2 1), (--5 3 1)] show significant deviations between observed and calculated intensities. These outliers were carefully checked and found to have no adverse effect on the overall refinement quality or structural parameters. Given their small number relative to the full data set, they were retained in the refinement to preserve data completeness.
;
# Added during the CSD deposition process: Wednesday 27 August 2025 05:44 AM
# end Validation Reply Form

_audit_creation_date             2025-08-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        Copper(I)Phen
_chemical_formula_moiety         'C24 H16 Cl Cu N4, 2.3[CH3CN]'
_chemical_formula_sum            'C28.60 H22.90 Cl Cu N6.30'
_chemical_formula_weight         553.82
_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   23.240(2)
_cell_length_b                   30.200(3)
_cell_length_c                   7.4950(6)
_cell_angle_alpha                90
_cell_angle_beta                 97.687(3)
_cell_angle_gamma                90
_cell_volume                     5213.1(8)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    8824
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      2.21
_cell_measurement_theta_min      25.67
_shelx_estimated_absorpt_T_max   0.951
_shelx_estimated_absorpt_T_min   0.669
_exptl_absorpt_coefficient_mu    0.971
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.6974
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light blue'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2277
_exptl_crystal_preparation       'Slow evaporation'
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.055
_exptl_crystal_size_min          0.052
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0773
_diffrn_reflns_av_unetI/netI     0.0491
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            35604
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.379
_diffrn_reflns_theta_min         2.208
_diffrn_ambient_temperature      273.15
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX III CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3904
_reflns_number_total             5331
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.365
_refine_diff_density_min         -0.315
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         5331
_refine_ls_number_restraints     484
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0589
_refine_ls_restrained_S_all      1.025
_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)+(0.0503P)²+10.7902P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1339
_refine_ls_wR_factor_ref         0.1426
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C3(H3), C2(H2), C1(H1),
 C24(H24), C23(H23), C20(H20), C21(H21), C22(H22), C15(H15), C14(H14), C13(H13)
;
_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 0.72442(2) 0.37970(2) 0.66281(7) 0.05029(17) Uani 1 1 d . U . . .
Cl1 Cl 0.70671(5) 0.35196(3) 0.94036(14) 0.0646(3) Uani 1 1 d . . . . .
N1 N 0.77329(13) 0.34474(10) 0.4936(4) 0.0468(7) Uani 1 1 d . U . . .
N2 N 0.66148(14) 0.34338(10) 0.5299(4) 0.0532(8) Uani 1 1 d . U . . .
N4 N 0.79036(14) 0.41551(11) 0.7786(4) 0.0521(8) Uani 1 1 d . U . . .
C17 C 0.72911(17) 0.47471(12) 0.6660(5) 0.0462(8) Uani 1 1 d . U . . .
N3 N 0.69050(14) 0.44335(10) 0.5995(4) 0.0472(7) Uani 1 1 d . U . . .
C5 C 0.74067(17) 0.31294(12) 0.4034(5) 0.0452(8) Uani 1 1 d . U . . .
C6 C 0.68053(18) 0.31215(12) 0.4234(5) 0.0486(9) Uani 1 1 d . U . . .
C7 C 0.64316(19) 0.27962(13) 0.3370(5) 0.0576(10) Uani 1 1 d . U . . .
C8 C 0.5855(2) 0.28050(16) 0.3650(7) 0.0776(13) Uani 1 1 d . U . . .
H8 H 0.559720 0.259228 0.311950 0.093 Uiso 1 1 calc R U . . .
C9 C 0.5668(2) 0.31233(19) 0.4694(7) 0.0815(14) Uani 1 1 d . U . . .
H9 H 0.527828 0.313647 0.485204 0.098 Uiso 1 1 calc R U . . .
C10 C 0.60570(19) 0.34319(16) 0.5535(6) 0.0680(12) Uani 1 1 d . U . . .
H10 H 0.592396 0.364321 0.628483 0.082 Uiso 1 1 calc R U . . .
C11 C 0.6690(2) 0.24710(14) 0.2301(6) 0.0693(12) Uani 1 1 d . U . . .
H11 H 0.645599 0.225127 0.171667 0.083 Uiso 1 1 calc R U . . .
C12 C 0.7252(2) 0.24764(14) 0.2127(6) 0.0664(12) Uani 1 1 d . U . . .
H12 H 0.740100 0.225810 0.144356 0.080 Uiso 1 1 calc R U . . .
C4 C 0.76295(19) 0.28086(13) 0.2962(5) 0.0540(9) Uani 1 1 d . U . . .
C3 C 0.8225(2) 0.28377(16) 0.2797(6) 0.0685(12) Uani 1 1 d . U . . .
H3 H 0.839496 0.263189 0.210655 0.082 Uiso 1 1 calc R U . . .
C2 C 0.8550(2) 0.31684(16) 0.3653(6) 0.0688(12) Uani 1 1 d . U . . .
H2 H 0.894079 0.319511 0.351904 0.083 Uiso 1 1 calc R U . . .
C1 C 0.82953(18) 0.34684(14) 0.4738(6) 0.0588(10) Uani 1 1 d . U . . .
H1 H 0.852420 0.368899 0.533766 0.071 Uiso 1 1 calc R U . . .
C18 C 0.78244(17) 0.45998(12) 0.7608(5) 0.0460(8) Uani 1 1 d . U . . .
C16 C 0.71834(19) 0.52025(13) 0.6461(5) 0.0540(9) Uani 1 1 d . U . . .
C24 C 0.7617(2) 0.55081(14) 0.7222(6) 0.0674(12) Uani 1 1 d . U . . .
H24 H 0.754718 0.581059 0.710259 0.081 Uiso 1 1 calc R U . . .
C23 C 0.8125(2) 0.53646(15) 0.8111(6) 0.0681(12) Uani 1 1 d . U . . .
H23 H 0.840135 0.557123 0.858050 0.082 Uiso 1 1 calc R U . . .
C19 C 0.82509(19) 0.49047(14) 0.8351(5) 0.0569(10) Uani 1 1 d . U . . .
C20 C 0.8764(2) 0.47337(18) 0.9289(6) 0.0718(12) Uani 1 1 d . U . . .
H20 H 0.905590 0.492452 0.979248 0.086 Uiso 1 1 calc R U . . .
C21 C 0.8836(2) 0.42902(19) 0.9462(7) 0.0791(14) Uani 1 1 d . U . . .
H21 H 0.917534 0.417394 1.008263 0.095 Uiso 1 1 calc R U . . .
C22 C 0.83963(19) 0.40119(16) 0.8702(6) 0.0681(12) Uani 1 1 d . U . . .
H22 H 0.844959 0.370807 0.884213 0.082 Uiso 1 1 calc R U . . .
C15 C 0.6642(2) 0.53266(15) 0.5547(6) 0.0667(11) Uani 1 1 d . U . . .
H15 H 0.654970 0.562528 0.540095 0.080 Uiso 1 1 calc R U . . .
C14 C 0.6251(2) 0.50180(16) 0.4876(6) 0.0681(12) Uani 1 1 d . U . . .
H14 H 0.589222 0.510124 0.427046 0.082 Uiso 1 1 calc R U . . .
C13 C 0.63996(19) 0.45644(15) 0.5113(5) 0.0593(10) Uani 1 1 d . U . . .
H13 H 0.613402 0.435118 0.463416 0.071 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
Cu1 Cl1 2.3298(12) . ?
Cu1 N1 2.097(3) . ?
Cu1 N2 1.986(3) . ?
Cu1 N4 1.979(3) . ?
Cu1 N3 2.107(3) . ?
N1 C5 1.348(5) . ?
N1 C1 1.337(5) . ?
N2 C6 1.348(5) . ?
N2 C10 1.332(5) . ?
N4 C18 1.360(5) . ?
N4 C22 1.326(5) . ?
C17 N3 1.353(5) . ?
C17 C18 1.415(5) . ?
C17 C16 1.402(5) . ?
N3 C13 1.329(5) . ?
C5 C6 1.426(5) . ?
C5 C4 1.401(5) . ?
C6 C7 1.410(5) . ?
C7 C8 1.385(7) . ?
C7 C11 1.448(6) . ?
C8 H8 0.9300 . ?
C8 C9 1.347(7) . ?
C9 H9 0.9300 . ?
C9 C10 1.390(6) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C11 C12 1.328(6) . ?
C12 H12 0.9300 . ?
C12 C4 1.422(6) . ?
C4 C3 1.409(6) . ?
C3 H3 0.9300 . ?
C3 C2 1.360(7) . ?
C2 H2 0.9300 . ?
C2 C1 1.401(6) . ?
C1 H1 0.9300 . ?
C18 C19 1.411(5) . ?
C16 C24 1.427(6) . ?
C16 C15 1.402(6) . ?
C24 H24 0.9300 . ?
C24 C23 1.348(7) . ?
C23 H23 0.9300 . ?
C23 C19 1.426(6) . ?
C19 C20 1.400(6) . ?
C20 H20 0.9300 . ?
C20 C21 1.354(7) . ?
C21 H21 0.9300 . ?
C21 C22 1.385(6) . ?
C22 H22 0.9300 . ?
C15 H15 0.9300 . ?
C15 C14 1.350(7) . ?
C14 H14 0.9300 . ?
C14 C13 1.418(6) . ?
C13 H13 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
N1 Cu1 Cl1 122.24(9) . . ?
N1 Cu1 N3 122.66(11) . . ?
N2 Cu1 Cl1 92.46(10) . . ?
N2 Cu1 N1 80.84(13) . . ?
N2 Cu1 N3 99.36(13) . . ?
N4 Cu1 Cl1 91.36(10) . . ?
N4 Cu1 N1 95.17(13) . . ?
N4 Cu1 N2 175.54(14) . . ?
N4 Cu1 N3 81.06(13) . . ?
N3 Cu1 Cl1 115.06(9) . . ?
C5 N1 Cu1 110.4(2) . . ?
C1 N1 Cu1 131.3(3) . . ?
C1 N1 C5 118.1(3) . . ?
C6 N2 Cu1 113.9(3) . . ?
C10 N2 Cu1 126.9(3) . . ?
C10 N2 C6 118.6(4) . . ?
C18 N4 Cu1 114.2(3) . . ?
C22 N4 Cu1 127.8(3) . . ?
C22 N4 C18 118.0(4) . . ?
N3 C17 C18 117.3(3) . . ?
N3 C17 C16 123.1(4) . . ?
C16 C17 C18 119.6(4) . . ?
C17 N3 Cu1 110.2(2) . . ?
C13 N3 Cu1 131.5(3) . . ?
C13 N3 C17 118.3(3) . . ?
N1 C5 C6 116.9(3) . . ?
N1 C5 C4 123.6(4) . . ?
C4 C5 C6 119.4(4) . . ?
N2 C6 C5 117.0(3) . . ?
N2 C6 C7 121.9(4) . . ?
C7 C6 C5 121.1(4) . . ?
C6 C7 C11 116.8(4) . . ?
C8 C7 C6 117.8(4) . . ?
C8 C7 C11 125.4(4) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 C7 119.7(4) . . ?
C9 C8 H8 120.2 . . ?
C8 C9 H9 119.9 . . ?
C8 C9 C10 120.1(5) . . ?
C10 C9 H9 119.9 . . ?
N2 C10 C9 121.9(4) . . ?
N2 C10 H10 119.1 . . ?
C9 C10 H10 119.1 . . ?
C7 C11 H11 118.9 . . ?
C12 C11 C7 122.1(4) . . ?
C12 C11 H11 118.9 . . ?
C11 C12 H12 119.3 . . ?
C11 C12 C4 121.5(4) . . ?
C4 C12 H12 119.3 . . ?
C5 C4 C12 119.1(4) . . ?
C5 C4 C3 116.7(4) . . ?
C3 C4 C12 124.1(4) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 C4 119.7(4) . . ?
C2 C3 H3 120.2 . . ?
C3 C2 H2 120.1 . . ?
C3 C2 C1 119.8(4) . . ?
C1 C2 H2 120.1 . . ?
N1 C1 C2 122.0(4) . . ?
N1 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
N4 C18 C17 117.2(3) . . ?
N4 C18 C19 121.8(4) . . ?
C19 C18 C17 121.0(4) . . ?
C17 C16 C24 119.0(4) . . ?
C15 C16 C17 116.8(4) . . ?
C15 C16 C24 124.2(4) . . ?
C16 C24 H24 119.5 . . ?
C23 C24 C16 121.0(4) . . ?
C23 C24 H24 119.5 . . ?
C24 C23 H23 119.1 . . ?
C24 C23 C19 121.8(4) . . ?
C19 C23 H23 119.1 . . ?
C18 C19 C23 117.7(4) . . ?
C20 C19 C18 117.6(4) . . ?
C20 C19 C23 124.7(4) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 C19 119.9(4) . . ?
C21 C20 H20 120.1 . . ?
C20 C21 H21 120.4 . . ?
C20 C21 C22 119.2(5) . . ?
C22 C21 H21 120.4 . . ?
N4 C22 C21 123.6(5) . . ?
N4 C22 H22 118.2 . . ?
C21 C22 H22 118.2 . . ?
C16 C15 H15 119.6 . . ?
C14 C15 C16 120.8(4) . . ?
C14 C15 H15 119.6 . . ?
C15 C14 H14 120.6 . . ?
C15 C14 C13 118.7(4) . . ?
C13 C14 H14 120.6 . . ?
N3 C13 C14 122.2(4) . . ?
N3 C13 H13 118.9 . . ?
C14 C13 H13 118.9 . . ?

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 C5 C6 6.4(4) . . . . ?
Cu1 N1 C5 C4 -172.3(3) . . . . ?
Cu1 N1 C1 C2 173.0(3) . . . . ?
Cu1 N2 C6 C5 -7.4(4) . . . . ?
Cu1 N2 C6 C7 171.7(3) . . . . ?
Cu1 N2 C10 C9 -171.5(4) . . . . ?
Cu1 N4 C18 C17 0.7(4) . . . . ?
Cu1 N4 C18 C19 -180.0(3) . . . . ?
Cu1 N4 C22 C21 179.8(4) . . . . ?
Cu1 N3 C13 C14 178.3(3) . . . . ?
N1 C5 C6 N2 0.3(5) . . . . ?
N1 C5 C6 C7 -178.8(3) . . . . ?
N1 C5 C4 C12 177.4(3) . . . . ?
N1 C5 C4 C3 -2.2(5) . . . . ?
N2 C6 C7 C8 -0.1(6) . . . . ?
N2 C6 C7 C11 -178.3(3) . . . . ?
N4 C18 C19 C23 -179.3(3) . . . . ?
N4 C18 C19 C20 0.0(5) . . . . ?
C17 N3 C13 C14 -1.0(6) . . . . ?
C17 C18 C19 C23 0.0(5) . . . . ?
C17 C18 C19 C20 179.2(3) . . . . ?
C17 C16 C24 C23 0.5(6) . . . . ?
C17 C16 C15 C14 -1.0(6) . . . . ?
N3 C17 C18 N4 -0.5(5) . . . . ?
N3 C17 C18 C19 -179.8(3) . . . . ?
N3 C17 C16 C24 179.6(3) . . . . ?
N3 C17 C16 C15 1.1(5) . . . . ?
C5 N1 C1 C2 -1.0(6) . . . . ?
C5 C6 C7 C8 179.0(4) . . . . ?
C5 C6 C7 C11 0.7(5) . . . . ?
C5 C4 C3 C2 -0.4(6) . . . . ?
C6 N2 C10 C9 -1.1(7) . . . . ?
C6 C5 C4 C12 -1.3(5) . . . . ?
C6 C5 C4 C3 179.1(3) . . . . ?
C6 C7 C8 C9 1.2(7) . . . . ?
C6 C7 C11 C12 -0.2(6) . . . . ?
C7 C8 C9 C10 -2.2(8) . . . . ?
C7 C11 C12 C4 -1.1(7) . . . . ?
C8 C7 C11 C12 -178.3(5) . . . . ?
C8 C9 C10 N2 2.2(8) . . . . ?
C10 N2 C6 C5 -179.0(4) . . . . ?
C10 N2 C6 C7 0.0(6) . . . . ?
C11 C7 C8 C9 179.2(5) . . . . ?
C11 C12 C4 C5 1.9(6) . . . . ?
C11 C12 C4 C3 -178.6(4) . . . . ?
C12 C4 C3 C2 -179.9(4) . . . . ?
C4 C5 C6 N2 179.1(3) . . . . ?
C4 C5 C6 C7 0.0(5) . . . . ?
C4 C3 C2 C1 2.1(7) . . . . ?
C3 C2 C1 N1 -1.4(7) . . . . ?
C1 N1 C5 C6 -178.4(3) . . . . ?
C1 N1 C5 C4 2.8(5) . . . . ?
C18 N4 C22 C21 -0.9(7) . . . . ?
C18 C17 N3 Cu1 0.1(4) . . . . ?
C18 C17 N3 C13 179.5(3) . . . . ?
C18 C17 C16 C24 0.0(5) . . . . ?
C18 C17 C16 C15 -178.5(3) . . . . ?
C18 C19 C20 C21 -0.3(6) . . . . ?
C16 C17 N3 Cu1 -179.5(3) . . . . ?
C16 C17 N3 C13 -0.1(5) . . . . ?
C16 C17 C18 N4 179.1(3) . . . . ?
C16 C17 C18 C19 -0.2(5) . . . . ?
C16 C24 C23 C19 -0.8(6) . . . . ?
C16 C15 C14 C13 0.0(6) . . . . ?
C24 C16 C15 C14 -179.4(4) . . . . ?
C24 C23 C19 C18 0.5(6) . . . . ?
C24 C23 C19 C20 -178.7(4) . . . . ?
C23 C19 C20 C21 178.9(4) . . . . ?
C19 C20 C21 C22 0.0(7) . . . . ?
C20 C21 C22 N4 0.6(8) . . . . ?
C22 N4 C18 C17 -178.7(4) . . . . ?
C22 N4 C18 C19 0.6(5) . . . . ?
C15 C16 C24 C23 178.8(4) . . . . ?
C15 C14 C13 N3 1.1(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.173 -0.426 899.8 206.4 '9.2 CH3CN'
2 0.500 -0.817 -0.569 899.8 206.4 '9.2 CH3CN'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_original_sample_id CuPhen
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH3CN and DMF'
