# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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. 
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data_3jula_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2305914'
loop_
_audit_author_name
_audit_author_address
'Rakesh Kumar'
;Indian Institute of Technology Kanpur India
India
;
_audit_update_record             
;
2024-01-24 deposited with the CCDC.	2024-02-19 downloaded from the CCDC.
;
_audit_creation_date             2023-07-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H11 Cl2 Cu N O4, 2(C2 H3 N)'
_chemical_formula_sum            'C20 H17 Cl2 Cu N3 O4'
_chemical_formula_weight         497.80
_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'
O O 0.0106 0.0060 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1316(3)
_cell_length_b                   10.7203(3)
_cell_length_c                   11.9188(3)
_cell_angle_alpha                68.1470(10)
_cell_angle_beta                 68.4210(10)
_cell_angle_gamma                86.3640(10)
_cell_volume                     1113.25(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9893
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      2.17
_shelx_estimated_absorpt_T_max   0.788
_shelx_estimated_absorpt_T_min   0.770
_exptl_absorpt_coefficient_mu    1.251
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6430
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1246 before and 0.0505 after correction.
The Ratio of minimum to maximum transmission is 0.8623.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic greenish blue'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   greenish
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             506
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18162
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.353
_diffrn_reflns_theta_min         2.713
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_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           0.0
_diffrn_source_power             0.0
_diffrn_source_voltage           0.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5222
_reflns_number_total             5560
_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       'Bruker APEX2'
_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 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.516
_refine_diff_density_min         -0.463
_refine_diff_density_rms         0.058
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         5560
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0261
_refine_ls_restrained_S_all      1.080
_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)+(0.0228P)²+0.8095P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0658
_refine_ls_wR_factor_ref         0.0674
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: C19B(0.54) C20B(0.54) H20A(0.54) H20B(0.54) H20C(0.54) C19A(0.46)
 C20A(0.46) H20D(0.46) H20E(0.46) H20F(0.46)
3.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C1(H1), C10(H10), C13(H13), C12(H12), C5(H5), C4(H4), C3(H3)
3.b Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C18(H18A,H18B,H18C), C20B(H20A,H20B,H20C), C20A(H20D,
 H20E,H20F)
;
_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 0.60118(2) 0.50303(2) 0.04464(2) 0.00884(5) Uani 1 1 d . . . . .
Cl2 Cl 0.41015(4) 1.02712(4) 0.27568(4) 0.02327(9) Uani 1 1 d . . . . .
Cl1 Cl 0.23914(5) 0.15456(5) 0.72424(4) 0.03186(11) Uani 1 1 d . . . . .
O2 O 0.28833(11) 0.38824(11) 0.13964(10) 0.0150(2) Uani 1 1 d . . . . .
O4 O 0.33879(11) 0.66202(11) -0.01051(11) 0.0144(2) Uani 1 1 d . . . . .
O3 O 0.50842(11) 0.66187(11) 0.06924(11) 0.0152(2) Uani 1 1 d . . . . .
O1 O 0.46095(11) 0.39127(11) 0.21517(10) 0.0146(2) Uani 1 1 d . . . . .
N1 N 0.76885(14) 0.52642(14) 0.10915(13) 0.0172(3) Uani 1 1 d . . . . .
C7 C 0.33655(15) 0.35881(14) 0.22915(14) 0.0114(3) Uani 1 1 d . . . . .
C9 C 0.34909(15) 0.83085(14) 0.07013(14) 0.0118(3) Uani 1 1 d . . . . .
C8 C 0.40294(15) 0.70877(14) 0.04005(14) 0.0117(3) Uani 1 1 d . . . . .
C15 C 0.86505(16) 0.54859(16) 0.12823(15) 0.0163(3) Uani 1 1 d . . . . .
C6 C 0.23678(15) 0.27934(14) 0.36472(14) 0.0130(3) Uani 1 1 d . . . . .
N2 N 0.94209(18) 0.21054(17) 0.16430(18) 0.0338(4) Uani 1 1 d . . . . .
C17 C 0.8295(2) 0.19595(18) 0.23877(19) 0.0242(4) Uani 1 1 d . . . . .
C14 C 0.25394(16) 0.90767(15) 0.01841(14) 0.0144(3) Uani 1 1 d . . . . .
H14 H 0.218983 0.881185 -0.033935 0.017 Uiso 1 1 calc R U . . .
C1 C 0.28027(16) 0.25584(15) 0.46852(14) 0.0149(3) Uani 1 1 d . . . . .
H1 H 0.372324 0.289173 0.453656 0.018 Uiso 1 1 calc R U . . .
C10 C 0.39796(15) 0.86809(15) 0.14917(15) 0.0138(3) Uani 1 1 d . . . . .
H10 H 0.462607 0.816115 0.184850 0.017 Uiso 1 1 calc R U . . .
C11 C 0.35055(16) 0.98234(15) 0.17480(15) 0.0144(3) Uani 1 1 d . . . . .
C13 C 0.21052(16) 1.02335(15) 0.04394(15) 0.0157(3) Uani 1 1 d . . . . .
H13 H 0.147055 1.076502 0.007409 0.019 Uiso 1 1 calc R U . . .
C12 C 0.25878(16) 1.06207(15) 0.12211(15) 0.0152(3) Uani 1 1 d . . . . .
H12 H 0.229563 1.141352 0.139040 0.018 Uiso 1 1 calc R U . . .
C5 C 0.10237(17) 0.22915(17) 0.38718(16) 0.0197(3) Uani 1 1 d . . . . .
H5 H 0.072888 0.245239 0.316336 0.024 Uiso 1 1 calc R U . . .
C2 C 0.18696(19) 0.18307(17) 0.59368(16) 0.0216(3) Uani 1 1 d . . . . .
C16 C 0.98929(18) 0.5756(2) 0.15227(19) 0.0267(4) Uani 1 1 d . . . . .
H16A H 1.038474 0.493249 0.172598 0.040 Uiso 1 1 calc R U . . .
H16B H 0.958813 0.605148 0.225881 0.040 Uiso 1 1 calc R U . . .
H16C H 1.054132 0.646623 0.074508 0.040 Uiso 1 1 calc R U . . .
C4 C 0.0115(2) 0.1555(2) 0.51337(18) 0.0328(4) Uani 1 1 d . . . . .
H4 H -0.080099 0.120889 0.528575 0.039 Uiso 1 1 calc R U . . .
C3 C 0.0531(2) 0.1320(2) 0.61753(18) 0.0331(4) Uani 1 1 d . . . . .
H3 H -0.009284 0.081611 0.703940 0.040 Uiso 1 1 calc R U . . .
C18 C 0.6847(2) 0.1781(2) 0.3340(2) 0.0315(4) Uani 1 1 d . . . . .
H18A H 0.620574 0.222677 0.289275 0.047 Uiso 1 1 calc R U . . .
H18B H 0.682204 0.217878 0.396537 0.047 Uiso 1 1 calc R U . . .
H18C H 0.654004 0.081581 0.380154 0.047 Uiso 1 1 calc R U . . .
N3 N -0.2405(3) 0.4020(3) 0.4674(3) 0.0743(8) Uani 1 1 d . . . . .
C19B_2 C -0.1875(5) 0.4057(4) 0.5236(5) 0.0396(9) Uani 0.54 1 d . . P A -1
C20B_2 C -0.0995(7) 0.4271(6) 0.5899(8) 0.079(2) Uani 0.54 1 d . . P A -1
H20A_2 H -0.037494 0.353428 0.602845 0.118 Uiso 0.54 1 calc R U P A -1
H20B_2 H -0.161204 0.429243 0.674499 0.118 Uiso 0.54 1 calc R U P A -1
H20C_2 H -0.040993 0.513075 0.536508 0.118 Uiso 0.54 1 calc R U P A -1
C19A_2 C -0.3384(5) 0.4270(4) 0.5227(4) 0.0295(8) Uani 0.46 1 d . . P A 1
C20A_2 C -0.4835(4) 0.4350(4) 0.6000(4) 0.0302(9) Uani 0.46 1 d . . P A 1
H20D_2 H -0.486928 0.447542 0.678339 0.045 Uiso 0.46 1 calc R U P A 1
H20E_2 H -0.540146 0.351336 0.625286 0.045 Uiso 0.46 1 calc R U P A 1
H20F_2 H -0.522518 0.511433 0.549179 0.045 Uiso 0.46 1 calc R U P A 1


_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 2.6483(3) 2_665 ?
Cu1 O2 1.9716(11) 2_665 ?
Cu1 O4 1.9706(10) 2_665 ?
Cu1 O3 1.9583(10) . ?
Cu1 O1 1.9657(10) . ?
Cu1 N1 2.1675(13) . ?
Cl2 C11 1.7439(15) . ?
Cl1 C2 1.7392(17) . ?
O2 C7 1.2608(18) . ?
O4 C8 1.2614(18) . ?
O3 C8 1.2614(18) . ?
O1 C7 1.2631(17) . ?
N1 C15 1.136(2) . ?
C7 C6 1.4972(19) . ?
C9 C8 1.5013(19) . ?
C9 C14 1.395(2) . ?
C9 C10 1.393(2) . ?
C15 C16 1.457(2) . ?
C6 C1 1.394(2) . ?
C6 C5 1.390(2) . ?
N2 C17 1.135(3) . ?
C17 C18 1.458(3) . ?
C14 H14 0.9500 . ?
C14 C13 1.392(2) . ?
C1 H1 0.9500 . ?
C1 C2 1.385(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.386(2) . ?
C11 C12 1.385(2) . ?
C13 H13 0.9500 . ?
C13 C12 1.389(2) . ?
C12 H12 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.386(2) . ?
C2 C3 1.383(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C4 H4 0.9500 . ?
C4 C3 1.386(3) . ?
C3 H3 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
N3 C19B_2 1.012(5) . ?
N3 C19A_2 1.052(5) . ?
C19B_2 C20B_2 1.467(6) . ?
C19B_2 C19A_2 1.535(6) . ?
C20B_2 H20A_2 0.9800 . ?
C20B_2 H20B_2 0.9800 . ?
C20B_2 H20C_2 0.9800 . ?
C19A_2 C20A_2 1.437(6) . ?
C20A_2 H20D_2 0.9800 . ?
C20A_2 H20E_2 0.9800 . ?
C20A_2 H20F_2 0.9800 . ?

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
O2 Cu1 Cu1 83.18(3) 2_665 2_665 ?
O2 Cu1 N1 93.74(5) 2_665 . ?
O4 Cu1 Cu1 86.62(3) 2_665 2_665 ?
O4 Cu1 O2 89.37(5) 2_665 2_665 ?
O4 Cu1 N1 97.14(5) 2_665 . ?
O3 Cu1 Cu1 81.66(3) . 2_665 ?
O3 Cu1 O2 90.66(5) . 2_665 ?
O3 Cu1 O4 168.19(4) . 2_665 ?
O3 Cu1 O1 88.35(5) . . ?
O3 Cu1 N1 94.64(5) . . ?
O1 Cu1 Cu1 85.17(3) . 2_665 ?
O1 Cu1 O2 168.33(4) . 2_665 ?
O1 Cu1 O4 89.23(5) . 2_665 ?
O1 Cu1 N1 97.93(5) . . ?
N1 Cu1 Cu1 175.13(4) . 2_665 ?
C7 O2 Cu1 123.86(9) . 2_665 ?
C8 O4 Cu1 119.54(9) . 2_665 ?
C8 O3 Cu1 126.02(10) . . ?
C7 O1 Cu1 121.75(9) . . ?
C15 N1 Cu1 171.92(13) . . ?
O2 C7 O1 126.00(13) . . ?
O2 C7 C6 117.05(13) . . ?
O1 C7 C6 116.95(13) . . ?
C14 C9 C8 121.06(13) . . ?
C10 C9 C8 118.75(13) . . ?
C10 C9 C14 120.19(13) . . ?
O4 C8 O3 126.11(13) . . ?
O4 C8 C9 117.66(13) . . ?
O3 C8 C9 116.22(13) . . ?
N1 C15 C16 179.28(18) . . ?
C1 C6 C7 119.22(13) . . ?
C5 C6 C7 120.55(13) . . ?
C5 C6 C1 120.23(14) . . ?
N2 C17 C18 179.7(2) . . ?
C9 C14 H14 120.2 . . ?
C13 C14 C9 119.62(14) . . ?
C13 C14 H14 120.2 . . ?
C6 C1 H1 120.6 . . ?
C2 C1 C6 118.85(14) . . ?
C2 C1 H1 120.6 . . ?
C9 C10 H10 120.6 . . ?
C11 C10 C9 118.78(14) . . ?
C11 C10 H10 120.6 . . ?
C10 C11 Cl2 118.57(12) . . ?
C12 C11 Cl2 119.30(11) . . ?
C12 C11 C10 122.13(14) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 C14 120.85(14) . . ?
C12 C13 H13 119.6 . . ?
C11 C12 C13 118.41(13) . . ?
C11 C12 H12 120.8 . . ?
C13 C12 H12 120.8 . . ?
C6 C5 H5 120.1 . . ?
C4 C5 C6 119.74(15) . . ?
C4 C5 H5 120.1 . . ?
C1 C2 Cl1 119.32(13) . . ?
C3 C2 Cl1 119.08(13) . . ?
C3 C2 C1 121.59(16) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C5 C4 H4 119.7 . . ?
C3 C4 C5 120.63(17) . . ?
C3 C4 H4 119.7 . . ?
C2 C3 C4 118.95(16) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C19B_2 N3 C19A_2 96.1(4) . . ?
N3 C19B_2 C20B_2 172.2(6) . . ?
N3 C19B_2 C19A_2 43.0(3) . . ?
C20B_2 C19B_2 C19A_2 139.4(4) . . ?
C19B_2 C20B_2 H20A_2 109.5 . . ?
C19B_2 C20B_2 H20B_2 109.5 . . ?
C19B_2 C20B_2 H20C_2 109.5 . . ?
H20A_2 C20B_2 H20B_2 109.5 . . ?
H20A_2 C20B_2 H20C_2 109.5 . . ?
H20B_2 C20B_2 H20C_2 109.5 . . ?
N3 C19A_2 C19B_2 41.0(3) . . ?
N3 C19A_2 C20A_2 168.0(5) . . ?
C20A_2 C19A_2 C19B_2 144.4(4) . . ?
C19A_2 C20A_2 H20D_2 109.5 . . ?
C19A_2 C20A_2 H20E_2 109.5 . . ?
C19A_2 C20A_2 H20F_2 109.5 . . ?
H20D_2 C20A_2 H20E_2 109.5 . . ?
H20D_2 C20A_2 H20F_2 109.5 . . ?
H20E_2 C20A_2 H20F_2 109.5 . . ?

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 O2 C7 O1 -1.4(2) 2_665 . . . ?
Cu1 O2 C7 C6 177.93(9) 2_665 . . . ?
Cu1 O4 C8 O3 2.2(2) 2_665 . . . ?
Cu1 O4 C8 C9 -177.15(9) 2_665 . . . ?
Cu1 O3 C8 O4 -0.2(2) . . . . ?
Cu1 O3 C8 C9 179.10(9) . . . . ?
Cu1 O1 C7 O2 2.3(2) . . . . ?
Cu1 O1 C7 C6 -176.97(9) . . . . ?
Cl2 C11 C12 C13 -178.86(12) . . . . ?
Cl1 C2 C3 C4 179.64(16) . . . . ?
O2 C7 C6 C1 -173.65(13) . . . . ?
O2 C7 C6 C5 6.5(2) . . . . ?
O1 C7 C6 C1 5.72(19) . . . . ?
O1 C7 C6 C5 -174.14(14) . . . . ?
C7 C6 C1 C2 179.54(14) . . . . ?
C7 C6 C5 C4 179.87(16) . . . . ?
C9 C14 C13 C12 -1.1(2) . . . . ?
C9 C10 C11 Cl2 179.11(11) . . . . ?
C9 C10 C11 C12 -1.4(2) . . . . ?
C8 C9 C14 C13 -177.41(13) . . . . ?
C8 C9 C10 C11 178.69(13) . . . . ?
C6 C1 C2 Cl1 -179.32(12) . . . . ?
C6 C1 C2 C3 0.9(3) . . . . ?
C6 C5 C4 C3 0.3(3) . . . . ?
C14 C9 C8 O4 -14.1(2) . . . . ?
C14 C9 C8 O3 166.47(13) . . . . ?
C14 C9 C10 C11 -0.1(2) . . . . ?
C14 C13 C12 C11 -0.4(2) . . . . ?
C1 C6 C5 C4 0.0(2) . . . . ?
C1 C2 C3 C4 -0.6(3) . . . . ?
C10 C9 C8 O4 167.07(13) . . . . ?
C10 C9 C8 O3 -12.3(2) . . . . ?
C10 C9 C14 C13 1.4(2) . . . . ?
C10 C11 C12 C13 1.7(2) . . . . ?
C5 C6 C1 C2 -0.6(2) . . . . ?
C5 C4 C3 C2 -0.1(3) . . . . ?
N3 C19B_2 C19A_2 C20A_2 162.6(8) . . . . ?
C19B_2 N3 C19A_2 C20A_2 -123(2) . . . . ?
C20B_2 C19B_2 C19A_2 N3 168.9(9) . . . . ?
C20B_2 C19B_2 C19A_2 C20A_2 -28.5(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
