# Electronic Supplementary Material (ESI) for Faraday Discussions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_AO3
_database_code_depnum_ccdc_archive 'CCDC 2214683'
loop_
_audit_author_name
_audit_author_address
'Atash Gurbanov'
;Instituto Superior Tecnico
Portugal
;
_audit_update_record             
;
2022-10-22 deposited with the CCDC.	2023-04-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H22 Cl2 Cu N2 Se2'
_chemical_formula_sum            'C24 H22 Cl2 Cu N2 Se2'
_chemical_formula_weight         630.79

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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   9.5330(3)
_cell_length_b                   10.8335(3)
_cell_length_c                   12.5170(4)
_cell_angle_alpha                77.9040(10)
_cell_angle_beta                 73.2640(10)
_cell_angle_gamma                73.8940(10)
_cell_volume                     1177.49(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9921
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      30.51

_exptl_crystal_description       plate
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_F_000             622
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    4.261
_shelx_estimated_absorpt_T_min   0.382
_shelx_estimated_absorpt_T_max   0.567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.561702
_exptl_absorpt_correction_T_max  0.746070
_exptl_absorpt_process_details   
;
TWINABS 2012/1: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.
(2015). J. Appl. Cryst. 48 3-10.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest PHOTON 100 detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            92063
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.976
_diffrn_reflns_theta_max         30.529
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7191
_reflns_number_gt                6457
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.

 The crystal under investigation was found to be non-merohedrally
 twinned. The orientation matrices for the two components were
 identified using the program Cell_Now, with the two components
 being related by a 180 degree rotation around the real
 b-axis. The two components were integrated using Saint and
 corrected for absorption using twinabs, resulting in the
 following statistics:
 
    37385 data (   3590 unique ) involve domain  1 only,  mean I/sigma  12.8
    37288 data (   3576 unique ) involve domain  2 only,  mean I/sigma   2.0
    37201 data (   4110 unique ) involve   2 domains,  mean I/sigma  12.3
 
 
 The exact twin matrix identified by the integration program was
 found to be:
 
    -1.00010  0.48599  0.00003
    -0.00067  0.99993  0.00094
     0.00019  0.48453 -0.99984
 
 The structure was solved using dual methods with only the
 non-overlapping reflections of component 1. The structure was
 refined using the hklf 5 routine with all reflections of component
 1 (including the overlapping ones), resulting in a BASF value of
 0.109(1).
 
 The Rint value given is for all reflections and is based on
 agreement between observed single and composite intensities
 and those calculated from refined unique intensities and twin
 fractions (TWINABS (Sheldrick, 2012)).
;
_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT-2019/1 (Sheldrick, 2019)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0004P)²+5.4969P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7191
_refine_ls_number_parameters     284
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0404
_refine_ls_wR_factor_ref         0.0959
_refine_ls_wR_factor_gt          0.0853
_refine_ls_goodness_of_fit_ref   1.215
_refine_ls_restrained_S_all      1.215
_refine_ls_shift/su_max          0.001
_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
Cu1 Cu 0.500000 0.000000 0.500000 0.01589(11) Uani 1 2 d S . P . .
Cu2 Cu 0.000000 0.500000 1.000000 0.01587(11) Uani 1 2 d S . P . .
Cl1 Cl 0.34222(10) 0.19880(8) 0.53057(7) 0.02115(16) Uani 1 1 d . . . . .
Cl2 Cl -0.14691(10) 0.35636(9) 1.02582(7) 0.02116(16) Uani 1 1 d . . . . .
Se1 Se 0.75667(4) 0.13065(4) 0.41899(3) 0.01971(8) Uani 1 1 d . . . . .
Se2 Se 0.26152(4) 0.29676(4) 0.90408(3) 0.02100(8) Uani 1 1 d . . . . .
N1 N 0.5097(3) 0.0503(3) 0.3326(2) 0.0175(5) Uani 1 1 d . . . . .
N2 N 0.0008(3) 0.5408(3) 0.8335(2) 0.0168(5) Uani 1 1 d . . . . .
C1 C 0.9143(4) 0.0207(3) 0.3239(3) 0.0189(6) Uani 1 1 d . . . . .
C2 C 0.9980(5) -0.0882(4) 0.3773(4) 0.0303(9) Uani 1 1 d . . . . .
H2A H 0.976014 -0.104973 0.457270 0.036 Uiso 1 1 calc R U . . .
C3 C 1.1127(5) -0.1718(4) 0.3142(5) 0.0373(10) Uani 1 1 d . . . . .
H3A H 1.169987 -0.245831 0.351171 0.045 Uiso 1 1 calc R U . . .
C4 C 1.1459(5) -0.1494(4) 0.1976(5) 0.0358(10) Uani 1 1 d . . . . .
H4A H 1.223158 -0.209052 0.154635 0.043 Uiso 1 1 calc R U . . .
C5 C 1.0649(5) -0.0388(5) 0.1441(4) 0.0322(9) Uani 1 1 d . . . . .
H5A H 1.088641 -0.021739 0.064151 0.039 Uiso 1 1 calc R U . . .
C6 C 0.9497(4) 0.0468(4) 0.2065(3) 0.0267(8) Uani 1 1 d . . . . .
H6A H 0.895214 0.122784 0.169601 0.032 Uiso 1 1 calc R U . . .
C7 C 0.6367(4) 0.2270(3) 0.3133(3) 0.0192(6) Uani 1 1 d . . . . .
H7A H 0.554001 0.293246 0.351653 0.023 Uiso 1 1 calc R U . . .
H7B H 0.700850 0.273410 0.249927 0.023 Uiso 1 1 calc R U . . .
C8 C 0.5695(4) 0.1472(3) 0.2659(3) 0.0170(6) Uani 1 1 d . . . . .
C9 C 0.5667(4) 0.1778(4) 0.1527(3) 0.0230(7) Uani 1 1 d . . . . .
H9A H 0.611973 0.244569 0.105945 0.028 Uiso 1 1 calc R U . . .
C10 C 0.4971(5) 0.1101(4) 0.1082(3) 0.0274(8) Uani 1 1 d . . . . .
H10A H 0.493516 0.130650 0.031284 0.033 Uiso 1 1 calc R U . . .
C11 C 0.4334(5) 0.0125(4) 0.1778(3) 0.0266(8) Uani 1 1 d . . . . .
H11A H 0.383883 -0.034308 0.150061 0.032 Uiso 1 1 calc R U . . .
C12 C 0.4434(4) -0.0155(4) 0.2888(3) 0.0221(7) Uani 1 1 d . . . . .
H12A H 0.401762 -0.083992 0.336171 0.026 Uiso 1 1 calc R U . . .
C13 C 0.4192(4) 0.3782(4) 0.8115(3) 0.0210(7) Uani 1 1 d . . . . .
C14 C 0.4959(4) 0.4270(4) 0.8664(4) 0.0263(8) Uani 1 1 d . . . . .
H14A H 0.467583 0.421348 0.946179 0.032 Uiso 1 1 calc R U . . .
C15 C 0.6139(5) 0.4838(4) 0.8041(4) 0.0303(9) Uani 1 1 d . . . . .
H15A H 0.667532 0.515531 0.841506 0.036 Uiso 1 1 calc R U . . .
C16 C 0.6537(5) 0.4945(4) 0.6873(4) 0.0312(9) Uani 1 1 d . . . . .
H16A H 0.733118 0.534844 0.644662 0.037 Uiso 1 1 calc R U . . .
C17 C 0.5764(4) 0.4458(4) 0.6332(4) 0.0278(8) Uani 1 1 d . . . . .
H17A H 0.603256 0.453344 0.553276 0.033 Uiso 1 1 calc R U . . .
C18 C 0.4606(4) 0.3862(4) 0.6945(3) 0.0233(7) Uani 1 1 d . . . . .
H18A H 0.409929 0.351212 0.657130 0.028 Uiso 1 1 calc R U . . .
C19 C 0.1381(4) 0.3181(4) 0.7986(3) 0.0203(7) Uani 1 1 d . . . . .
H19A H 0.200923 0.275740 0.732190 0.024 Uiso 1 1 calc R U . . .
H19B H 0.056029 0.272402 0.835107 0.024 Uiso 1 1 calc R U . . .
C20 C 0.0698(4) 0.4567(4) 0.7587(3) 0.0185(6) Uani 1 1 d . . . . .
C21 C 0.0735(4) 0.4943(4) 0.6443(3) 0.0234(7) Uani 1 1 d . . . . .
H21A H 0.126691 0.435114 0.591869 0.028 Uiso 1 1 calc R U . . .
C22 C -0.0008(5) 0.6186(4) 0.6076(3) 0.0273(8) Uani 1 1 d . . . . .
H22A H -0.000519 0.644890 0.530233 0.033 Uiso 1 1 calc R U . . .
C23 C -0.0747(4) 0.7032(4) 0.6847(3) 0.0252(7) Uani 1 1 d . . . . .
H23A H -0.128276 0.788146 0.661981 0.030 Uiso 1 1 calc R U . . .
C24 C -0.0696(4) 0.6620(4) 0.7965(3) 0.0217(7) Uani 1 1 d . . . . .
H24A H -0.117679 0.721518 0.849210 0.026 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 N1 2.033(3) 2_656 ?
Cu1 N1 2.033(3) . ?
Cu1 Cl1 2.2943(8) . ?
Cu1 Cl1 2.2943(8) 2_656 ?
Cu2 N2 2.036(3) 2_567 ?
Cu2 N2 2.036(3) . ?
Cu2 Cl2 2.2858(9) 2_567 ?
Cu2 Cl2 2.2858(9) . ?
Se1 C1 1.914(4) . ?
Se1 C7 1.944(3) . ?
Se2 C13 1.920(4) . ?
Se2 C19 1.949(4) . ?
N1 C8 1.347(4) . ?
N1 C12 1.350(5) . ?
N2 C20 1.345(4) . ?
N2 C24 1.351(5) . ?
C1 C2 1.390(5) . ?
C1 C6 1.394(5) . ?
C2 C3 1.375(6) . ?
C2 H2A 0.9500 . ?
C3 C4 1.386(7) . ?
C3 H3A 0.9500 . ?
C4 C5 1.388(7) . ?
C4 H4A 0.9500 . ?
C5 C6 1.386(6) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 C8 1.500(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.392(5) . ?
C9 C10 1.393(6) . ?
C9 H9A 0.9500 . ?
C10 C11 1.382(6) . ?
C10 H10A 0.9500 . ?
C11 C12 1.383(5) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C18 1.393(5) . ?
C13 C14 1.392(5) . ?
C14 C15 1.390(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.388(7) . ?
C15 H15A 0.9500 . ?
C16 C17 1.390(6) . ?
C16 H16A 0.9500 . ?
C17 C18 1.387(6) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C19 C20 1.503(5) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.398(5) . ?
C21 C22 1.387(6) . ?
C21 H21A 0.9500 . ?
C22 C23 1.375(6) . ?
C22 H22A 0.9500 . ?
C23 C24 1.386(5) . ?
C23 H23A 0.9500 . ?
C24 H24A 0.9500 . ?

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 N1 180.0 2_656 . ?
N1 Cu1 Cl1 90.93(9) 2_656 . ?
N1 Cu1 Cl1 89.07(9) . . ?
N1 Cu1 Cl1 89.07(9) 2_656 2_656 ?
N1 Cu1 Cl1 90.93(9) . 2_656 ?
Cl1 Cu1 Cl1 180.0 . 2_656 ?
N2 Cu2 N2 180.0 2_567 . ?
N2 Cu2 Cl2 89.94(9) 2_567 2_567 ?
N2 Cu2 Cl2 90.06(9) . 2_567 ?
N2 Cu2 Cl2 90.06(9) 2_567 . ?
N2 Cu2 Cl2 89.94(9) . . ?
Cl2 Cu2 Cl2 180.0 2_567 . ?
C1 Se1 C7 100.59(15) . . ?
C13 Se2 C19 100.89(15) . . ?
C8 N1 C12 119.0(3) . . ?
C8 N1 Cu1 124.9(2) . . ?
C12 N1 Cu1 116.1(2) . . ?
C20 N2 C24 118.6(3) . . ?
C20 N2 Cu2 124.4(2) . . ?
C24 N2 Cu2 117.0(2) . . ?
C2 C1 C6 119.9(4) . . ?
C2 C1 Se1 116.7(3) . . ?
C6 C1 Se1 123.4(3) . . ?
C3 C2 C1 119.9(4) . . ?
C3 C2 H2A 120.1 . . ?
C1 C2 H2A 120.1 . . ?
C2 C3 C4 120.9(4) . . ?
C2 C3 H3A 119.5 . . ?
C4 C3 H3A 119.5 . . ?
C3 C4 C5 119.2(4) . . ?
C3 C4 H4A 120.4 . . ?
C5 C4 H4A 120.4 . . ?
C6 C5 C4 120.5(4) . . ?
C6 C5 H5A 119.7 . . ?
C4 C5 H5A 119.7 . . ?
C5 C6 C1 119.6(4) . . ?
C5 C6 H6A 120.2 . . ?
C1 C6 H6A 120.2 . . ?
C8 C7 Se1 115.5(2) . . ?
C8 C7 H7A 108.4 . . ?
Se1 C7 H7A 108.4 . . ?
C8 C7 H7B 108.4 . . ?
Se1 C7 H7B 108.4 . . ?
H7A C7 H7B 107.5 . . ?
N1 C8 C9 121.0(3) . . ?
N1 C8 C7 120.4(3) . . ?
C9 C8 C7 118.6(3) . . ?
C10 C9 C8 119.7(4) . . ?
C10 C9 H9A 120.1 . . ?
C8 C9 H9A 120.1 . . ?
C11 C10 C9 118.9(3) . . ?
C11 C10 H10A 120.5 . . ?
C9 C10 H10A 120.5 . . ?
C10 C11 C12 118.6(4) . . ?
C10 C11 H11A 120.7 . . ?
C12 C11 H11A 120.7 . . ?
N1 C12 C11 122.8(3) . . ?
N1 C12 H12A 118.6 . . ?
C11 C12 H12A 118.6 . . ?
C18 C13 C14 120.2(4) . . ?
C18 C13 Se2 122.6(3) . . ?
C14 C13 Se2 117.2(3) . . ?
C15 C14 C13 119.8(4) . . ?
C15 C14 H14A 120.1 . . ?
C13 C14 H14A 120.1 . . ?
C14 C15 C16 120.3(4) . . ?
C14 C15 H15A 119.9 . . ?
C16 C15 H15A 119.9 . . ?
C15 C16 C17 119.5(4) . . ?
C15 C16 H16A 120.2 . . ?
C17 C16 H16A 120.2 . . ?
C18 C17 C16 120.8(4) . . ?
C18 C17 H17A 119.6 . . ?
C16 C17 H17A 119.6 . . ?
C17 C18 C13 119.4(4) . . ?
C17 C18 H18A 120.3 . . ?
C13 C18 H18A 120.3 . . ?
C20 C19 Se2 114.6(2) . . ?
C20 C19 H19A 108.6 . . ?
Se2 C19 H19A 108.6 . . ?
C20 C19 H19B 108.6 . . ?
Se2 C19 H19B 108.6 . . ?
H19A C19 H19B 107.6 . . ?
N2 C20 C21 121.1(3) . . ?
N2 C20 C19 119.9(3) . . ?
C21 C20 C19 118.9(3) . . ?
C22 C21 C20 119.6(4) . . ?
C22 C21 H21A 120.2 . . ?
C20 C21 H21A 120.2 . . ?
C23 C22 C21 119.1(3) . . ?
C23 C22 H22A 120.5 . . ?
C21 C22 H22A 120.5 . . ?
C22 C23 C24 118.7(4) . . ?
C22 C23 H23A 120.7 . . ?
C24 C23 H23A 120.7 . . ?
N2 C24 C23 122.8(4) . . ?
N2 C24 H24A 118.6 . . ?
C23 C24 H24A 118.6 . . ?

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
C6 C1 C2 C3 -1.8(6) . . . . ?
Se1 C1 C2 C3 179.8(3) . . . . ?
C1 C2 C3 C4 -0.4(7) . . . . ?
C2 C3 C4 C5 2.0(7) . . . . ?
C3 C4 C5 C6 -1.5(7) . . . . ?
C4 C5 C6 C1 -0.6(6) . . . . ?
C2 C1 C6 C5 2.2(6) . . . . ?
Se1 C1 C6 C5 -179.4(3) . . . . ?
C12 N1 C8 C9 -1.5(5) . . . . ?
Cu1 N1 C8 C9 -177.8(3) . . . . ?
C12 N1 C8 C7 176.7(3) . . . . ?
Cu1 N1 C8 C7 0.5(4) . . . . ?
Se1 C7 C8 N1 41.2(4) . . . . ?
Se1 C7 C8 C9 -140.6(3) . . . . ?
N1 C8 C9 C10 2.0(5) . . . . ?
C7 C8 C9 C10 -176.3(3) . . . . ?
C8 C9 C10 C11 -0.7(6) . . . . ?
C9 C10 C11 C12 -1.0(6) . . . . ?
C8 N1 C12 C11 -0.2(6) . . . . ?
Cu1 N1 C12 C11 176.3(3) . . . . ?
C10 C11 C12 N1 1.5(6) . . . . ?
C18 C13 C14 C15 0.1(6) . . . . ?
Se2 C13 C14 C15 178.3(3) . . . . ?
C13 C14 C15 C16 1.3(6) . . . . ?
C14 C15 C16 C17 -1.2(6) . . . . ?
C15 C16 C17 C18 -0.3(6) . . . . ?
C16 C17 C18 C13 1.6(6) . . . . ?
C14 C13 C18 C17 -1.5(6) . . . . ?
Se2 C13 C18 C17 -179.6(3) . . . . ?
C24 N2 C20 C21 2.1(5) . . . . ?
Cu2 N2 C20 C21 -175.9(3) . . . . ?
C24 N2 C20 C19 -175.0(3) . . . . ?
Cu2 N2 C20 C19 7.0(4) . . . . ?
Se2 C19 C20 N2 -47.0(4) . . . . ?
Se2 C19 C20 C21 135.8(3) . . . . ?
N2 C20 C21 C22 -2.9(5) . . . . ?
C19 C20 C21 C22 174.2(3) . . . . ?
C20 C21 C22 C23 1.1(6) . . . . ?
C21 C22 C23 C24 1.4(6) . . . . ?
C20 N2 C24 C23 0.5(5) . . . . ?
Cu2 N2 C24 C23 178.6(3) . . . . ?
C22 C23 C24 N2 -2.3(6) . . . . ?

_refine_diff_density_max         1.725
_refine_diff_density_min         -0.835
_refine_diff_density_rms         0.145

