# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_DUT-49Cu_100K
_database_code_depnum_ccdc_archive 'CCDC 2014977'
loop_
_audit_author_name
_audit_author_address
'Volodymyr Bon'
;Technische Universitaet Dresden
Germany
;
_audit_update_record             
;
2020-07-08 deposited with the CCDC.	2020-09-13 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT602_DUT-49Cu_100K       
;
PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure        ! Info  
RESPONSE: The single crystal contains nearly 85% of solvent accessible void.
The pores are filled with argon gas, which is adsorbed at preferrable
adsorption sites. Howerer, part of the argon atoms are disordered and their
positions could not be located unambigiously. SQUEEZE routine was not applied
in this case in order to get a comparable data to the dataset, collected at 296K
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        DUT-49(Cu)-desolvated-100K
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H20 Ar7.98 Cu2 N2 O8'
_chemical_formula_weight         1102.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0060 0.0030 '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'
Cu Cu 0.1490 1.8970 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0180 0.0100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ar Ar 0.2410 0.3160 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           225
_space_group_name_H-M_alt        'F m -3 m'
_space_group_name_Hall           '-F 4 2 3'

_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'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'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'
'z, 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'
'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, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'x, -z+1/2, y+1/2'
'z, y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'-z, y+1/2, x+1/2'
'-z, -y+1/2, -x+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'
'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, -y+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+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, z, -y+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'x+1/2, -z, y+1/2'
'z+1/2, y, -x+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, -y, -x+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'
'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'
'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'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, z+1/2, -y'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'x+1/2, -z+1/2, y'
'z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, x'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
'-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'
'-z, -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'
'-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, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-z, -y+1/2, x+1/2'
'-z, y+1/2, -x+1/2'
'z, -y+1/2, -x+1/2'
'z, y+1/2, x+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'
'-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, y+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+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, -y, -x+1/2'
'z+1/2, y, x+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'
'-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'
'-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'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, -x'
'z+1/2, y+1/2, x'

_cell_length_a                   46.620(5)
_cell_length_b                   46.620(5)
_cell_length_c                   46.620(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     101325(35)
_cell_formula_units_Z            24
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    246
_cell_measurement_theta_min      2.8
_cell_measurement_theta_max      23.6

_exptl_crystal_description       cube
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.434
_exptl_crystal_F_000             12950
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.799
_shelx_estimated_absorpt_T_min   0.939
_shelx_estimated_absorpt_T_max   0.939
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.89499
_diffrn_radiation_type           synchrotron
_diffrn_source                   synchrotron
_diffrn_measurement_device_type  'BL14.3 beamline'
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean 'Rayonix MX-225'
_diffrn_reflns_number            70530
_diffrn_reflns_av_unetI/netI     0.0129
_diffrn_reflns_av_R_equivalents  0.0267
_diffrn_reflns_limit_h_min       -56
_diffrn_reflns_limit_h_max       55
_diffrn_reflns_limit_k_min       -56
_diffrn_reflns_limit_k_max       56
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.255
_diffrn_reflns_theta_max         33.372
_diffrn_reflns_theta_full        32.479
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             4528
_reflns_number_gt                4278
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       MX-Cube
_computing_cell_refinement       'XDSAPP 2.0'
_computing_data_reduction        'XDSAPP 2.0'
_computing_structure_solution    'SHELXS-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2800P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4528
_refine_ls_number_parameters     110
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.1089
_refine_ls_R_factor_gt           0.1049
_refine_ls_wR_factor_ref         0.4003
_refine_ls_wR_factor_gt          0.3899
_refine_ls_goodness_of_fit_ref   1.492
_refine_ls_restrained_S_all      1.492
_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 0.500000 0.84948(2) 0.0334(4) Uani 1 8 d S T P . .
Cu2 Cu 0.500000 0.500000 0.79600(2) 0.0374(4) Uani 1 8 d S T P . .
N1 N 0.32545(6) 0.500000 0.82545(6) 0.0716(15) Uani 1 4 d S T P A .
O1 O 0.45827(5) 0.500000 0.84646(4) 0.0439(6) Uani 1 2 d S T P . .
O2 O 0.45867(6) 0.500000 0.79798(5) 0.0513(7) Uani 1 2 d S T P . .
C1 C 0.44607(6) 0.500000 0.82227(5) 0.0424(7) Uani 1 2 d S T P . .
C2 C 0.41393(7) 0.500000 0.82200(6) 0.0501(9) Uani 1 2 d S T P . .
C3 C 0.39918(7) 0.500000 0.84774(6) 0.0471(9) Uani 1 2 d S T P . .
H3 H 0.409006 0.500000 0.865098 0.057 Uiso 1 2 calc R U P . .
C4 C 0.36924(7) 0.500000 0.84713(6) 0.0494(9) Uani 1 2 d S T P . .
C5 C 0.35486(8) 0.500000 0.82045(7) 0.0613(11) Uani 1 2 d S T P . .
C6 C 0.36988(9) 0.500000 0.79450(7) 0.0683(13) Uani 1 2 d S T P . .
H6 H 0.360229 0.500000 0.777044 0.082 Uiso 1 2 calc R U P . .
C7 C 0.39917(9) 0.500000 0.79555(7) 0.0615(11) Uani 1 2 d S T P . .
H7 H 0.409576 0.500000 0.778534 0.074 Uiso 1 2 calc R U P . .
C8 C 0.30361(7) 0.500000 0.80361(7) 0.0740(19) Uani 1 4 d DS T P . .
C9 C 0.28624(14) 0.47630(16) 0.80000(14) 0.084(2) Uani 0.5 1 d D . P A -1
H9A H 0.288605 0.460157 0.811479 0.101 Uiso 0.5 1 calc R U P A -1
C11 C 0.26113(8) 0.500000 0.76113(8) 0.0699(15) Uani 1 4 d DS T P . .
C10 C 0.26524(14) 0.47698(16) 0.77900(13) 0.087(2) Uani 0.5 1 d D . P A -1
H10A H 0.253358 0.461085 0.776920 0.104 Uiso 0.5 1 calc R U P A -1
Ar1 Ar 0.42948(10) 0.42948(10) 0.86763(14) 0.1104(16) Uiso 0.3013 2 d S . P . .
Ar2 Ar 0.34502(11) 0.42572(14) 0.84502(11) 0.221(2) Uiso 0.6421 2 d S . P . .
Ar3 Ar 0.42334(16) 0.57666(16) 0.8033(3) 0.169(3) Uiso 0.2934 2 d S . P . .
Ar4 Ar 0.43667(11) 0.43667(11) 0.88074(16) 0.1040(17) Uiso 0.2362 2 d S . P . .
Ar5 Ar 0.500000 0.500000 0.9045(5) 0.196(7) Uiso 0.3189 8 d S . P . .
Ar6 Ar 0.500000 0.500000 0.7308(6) 0.381(10) Uiso 0.7781 8 d S . P . .
Ar7 Ar 0.42806(19) 0.57194(19) 0.7845(3) 0.154(3) Uiso 0.2568 2 d S . 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 O1 1.950(2) 110 ?
Cu1 O1 1.950(2) 109_665 ?
Cu1 O1 1.950(2) 2_665 ?
Cu1 O1 1.950(2) . ?
Cu1 Cu2 2.4930(9) . ?
Cu1 Ar5 2.57(2) . ?
Cu2 O2 1.929(3) . ?
Cu2 O2 1.929(3) 109_665 ?
Cu2 O2 1.929(3) 2_665 ?
Cu2 O2 1.929(3) 110 ?
Cu2 Ar6 3.04(3) . ?
N1 C5 1.391(4) . ?
N1 C5 1.391(4) 70_465 ?
N1 C8 1.440(6) . ?
O1 C1 1.263(3) . ?
O2 C1 1.276(4) . ?
C1 C2 1.499(4) . ?
C2 C3 1.383(4) . ?
C2 C7 1.412(4) . ?
C3 C4 1.396(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.413(4) . ?
C4 C4 1.457(7) 70_465 ?
C5 C6 1.398(5) . ?
C6 C7 1.366(6) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.380(7) . ?
C9 C10 1.385(7) . ?
C9 H9A 0.9300 . ?
C11 C10 1.372(7) . ?
C11 C11 1.468(10) 145_566 ?
C10 H10A 0.9300 . ?
Ar1 Ar4 0.773(7) . ?
Ar1 Ar3 3.028(13) 99_565 ?
Ar3 Ar7 0.927(13) . ?

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
O1 Cu1 O1 171.74(12) 110 109_665 ?
O1 Cu1 O1 89.703(9) 110 2_665 ?
O1 Cu1 O1 89.703(10) 109_665 2_665 ?
O1 Cu1 O1 89.703(10) 110 . ?
O1 Cu1 O1 89.703(9) 109_665 . ?
O1 Cu1 O1 171.74(12) 2_665 . ?
O1 Cu1 Cu2 85.87(6) 110 . ?
O1 Cu1 Cu2 85.87(6) 109_665 . ?
O1 Cu1 Cu2 85.87(6) 2_665 . ?
O1 Cu1 Cu2 85.87(6) . . ?
O1 Cu1 Ar5 94.13(6) 110 . ?
O1 Cu1 Ar5 94.13(6) 109_665 . ?
O1 Cu1 Ar5 94.13(6) 2_665 . ?
O1 Cu1 Ar5 94.13(6) . . ?
Cu2 Cu1 Ar5 180.0 . . ?
O2 Cu2 O2 89.870(7) . 109_665 ?
O2 Cu2 O2 174.53(13) . 2_665 ?
O2 Cu2 O2 89.870(7) 109_665 2_665 ?
O2 Cu2 O2 89.870(7) . 110 ?
O2 Cu2 O2 174.54(13) 109_665 110 ?
O2 Cu2 O2 89.870(6) 2_665 110 ?
O2 Cu2 Cu1 87.27(7) . . ?
O2 Cu2 Cu1 87.27(7) 109_665 . ?
O2 Cu2 Cu1 87.27(7) 2_665 . ?
O2 Cu2 Cu1 87.27(7) 110 . ?
O2 Cu2 Ar6 92.73(7) . . ?
O2 Cu2 Ar6 92.73(7) 109_665 . ?
O2 Cu2 Ar6 92.73(7) 2_665 . ?
O2 Cu2 Ar6 92.73(7) 110 . ?
Cu1 Cu2 Ar6 180.0 . . ?
C5 N1 C5 109.3(4) . 70_465 ?
C5 N1 C8 125.35(19) . . ?
C5 N1 C8 125.36(19) 70_465 . ?
C1 O1 Cu1 120.90(19) . . ?
C1 O2 Cu2 120.16(19) . . ?
O1 C1 O2 125.8(3) . . ?
O1 C1 C2 117.2(2) . . ?
O2 C1 C2 117.0(2) . . ?
C3 C2 C7 121.0(3) . . ?
C3 C2 C1 119.3(3) . . ?
C7 C2 C1 119.6(3) . . ?
C2 C3 C4 118.7(3) . . ?
C2 C3 H3 120.7 . . ?
C4 C3 H3 120.7 . . ?
C3 C4 C5 119.5(3) . . ?
C3 C4 C4 133.85(18) . 70_465 ?
C5 C4 C4 106.7(2) . 70_465 ?
N1 C5 C6 129.7(3) . . ?
N1 C5 C4 108.7(3) . . ?
C6 C5 C4 121.6(3) . . ?
C7 C6 C5 118.0(3) . . ?
C7 C6 H6 121.0 . . ?
C5 C6 H6 121.0 . . ?
C6 C7 C2 121.2(3) . . ?
C6 C7 H7 119.4 . . ?
C2 C7 H7 119.4 . . ?
C9 C8 N1 120.1(3) . . ?
C8 C9 C10 118.9(6) . . ?
C8 C9 H9A 120.6 . . ?
C10 C9 H9A 120.6 . . ?
C10 C11 C11 121.9(3) . 145_566 ?
C11 C10 C9 123.1(6) . . ?
C11 C10 H10A 118.5 . . ?
C9 C10 H10A 118.5 . . ?
Ar4 Ar1 Ar3 149.9(9) . 99_565 ?
Ar7 Ar3 Ar1 152.7(12) . 99_565 ?

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 O1 C1 O2 0.000(1) . . . . ?
Cu1 O1 C1 C2 180.000(1) . . . . ?
Cu2 O2 C1 O1 0.000(1) . . . . ?
Cu2 O2 C1 C2 180.000(1) . . . . ?
O1 C1 C2 C3 0.000(1) . . . . ?
O2 C1 C2 C3 180.000(1) . . . . ?
O1 C1 C2 C7 180.000(1) . . . . ?
O2 C1 C2 C7 0.000(1) . . . . ?
C7 C2 C3 C4 0.000(1) . . . . ?
C1 C2 C3 C4 180.000(1) . . . . ?
C2 C3 C4 C5 0.000(1) . . . . ?
C2 C3 C4 C4 180.000(1) . . . 70_465 ?
C5 N1 C5 C6 180.000(1) 70_465 . . . ?
C8 N1 C5 C6 0.000(1) . . . . ?
C5 N1 C5 C4 0.000(1) 70_465 . . . ?
C8 N1 C5 C4 180.000(1) . . . . ?
C3 C4 C5 N1 180.000(1) . . . . ?
C4 C4 C5 N1 0.000(1) 70_465 . . . ?
C3 C4 C5 C6 0.000(1) . . . . ?
C4 C4 C5 C6 180.000(1) 70_465 . . . ?
N1 C5 C6 C7 180.000(1) . . . . ?
C4 C5 C6 C7 0.000(1) . . . . ?
C5 C6 C7 C2 0.000(1) . . . . ?
C3 C2 C7 C6 0.000(1) . . . . ?
C1 C2 C7 C6 180.000(1) . . . . ?
C5 N1 C8 C9 112.3(4) . . . . ?
C5 N1 C8 C9 -67.7(4) 70_465 . . . ?
N1 C8 C9 C10 179.4(5) . . . . ?
C11 C11 C10 C9 179.4(6) 145_566 . . . ?
C8 C9 C10 C11 1.2(11) . . . . ?

_refine_diff_density_max         1.283
_refine_diff_density_min         -1.428
_refine_diff_density_rms         0.112

