# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_ap364Cu
_database_code_depnum_ccdc_archive 'CCDC 2240712'
loop_
_audit_author_name
_audit_author_address
'Valentina Karnoukhova'
;A N Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2023-02-08 deposited with the CCDC.	2023-05-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H52 Cu2 N8 O4, 4(Cl O4) [ + solvent ]'
_chemical_formula_sum            'C40 H52 Cl4 Cu2 N8 O20 [ + solvent ]'
_chemical_formula_weight         1233.77

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0026 0.0018 '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'
N N 0.0049 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0092 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1436 0.1747 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.2447 1.3792 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+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                   31.250(6)
_cell_length_b                   20.495(4)
_cell_length_c                   8.3870(17)
_cell_angle_alpha                90
_cell_angle_beta                 95.91(3)
_cell_angle_gamma                90
_cell_volume                     5343.0(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    360
_cell_measurement_theta_min      1.247
_cell_measurement_theta_max      31.044

_exptl_crystal_description       plate
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_F_000             2536
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    1.213
_shelx_estimated_absorpt_T_min   0.868
_shelx_estimated_absorpt_T_max   0.988
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.830
_exptl_absorpt_correction_T_max  0.940
_exptl_absorpt_process_details   'XDS (Kabsh, 2010)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.745
_diffrn_radiation_type           synchrotron
_diffrn_source                   synchrotron
_diffrn_measurement_device_type  
'Rayonix SX 165 area detector and Marexperts dtb goniostat'
_diffrn_measurement_method       'phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21669
_diffrn_reflns_av_unetI/netI     0.0737
_diffrn_reflns_av_R_equivalents  0.0787
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         1.247
_diffrn_reflns_theta_max         31.044
_diffrn_reflns_theta_full        26.551
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             7360
_reflns_number_gt                3978
_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.
 
 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.
;

_computing_data_collection       ?
_computing_cell_refinement       'XDS (Kabsh, 2010)'
_computing_data_reduction        'XDS (Kabsh, 2010)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015b)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1055P)²+14.5561P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7360
_refine_ls_number_parameters     359
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.1390
_refine_ls_R_factor_gt           0.0768
_refine_ls_wR_factor_ref         0.2337
_refine_ls_wR_factor_gt          0.1944
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.000
_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 0.38910(2) 0.23224(3) 0.09364(7) 0.0476(2) Uani 1 1 d . . . . .
O1 O 0.46159(13) 0.44406(17) 0.1817(5) 0.0566(10) Uani 1 1 d . . . . .
O2 O 0.41866(12) 0.24266(17) -0.1319(4) 0.0516(9) Uani 1 1 d . . . . .
H2B H 0.430574 0.218385 -0.214644 0.062 Uiso 1 1 d R U . . .
H2C H 0.394374 0.262185 -0.200544 0.062 Uiso 1 1 d R U . . .
N1 N 0.39828(15) 0.3265(2) 0.1771(5) 0.0495(10) Uani 1 1 d . . . . .
N2 N 0.43910(15) 0.2098(2) 0.2622(5) 0.0471(10) Uani 1 1 d . . . . .
N3 N 0.33176(15) 0.2699(2) 0.0061(5) 0.0548(11) Uani 1 1 d . . . . .
N4 N 0.38411(17) 0.1351(2) 0.0744(5) 0.0555(11) Uani 1 1 d . . . . .
C1 C 0.4791(2) 0.6210(2) 0.2190(6) 0.0542(14) Uani 1 1 d . . . . .
H1A H 0.464524 0.661396 0.199950 0.065 Uiso 1 1 calc R U . . .
C2 C 0.4574(2) 0.5637(2) 0.1832(6) 0.0521(13) Uani 1 1 d . . . . .
H2A H 0.428176 0.564302 0.138275 0.063 Uiso 1 1 calc R U . . .
C3 C 0.47878(19) 0.5048(2) 0.2137(6) 0.0521(13) Uani 1 1 d . . . . .
C4 C 0.4194(2) 0.4419(2) 0.0964(7) 0.0536(13) Uani 1 1 d . . . . .
H4A H 0.418182 0.469876 -0.000224 0.064 Uiso 1 1 calc R U . . .
H4B H 0.397749 0.457856 0.165475 0.064 Uiso 1 1 calc R U . . .
C5 C 0.41023(19) 0.3717(2) 0.0490(6) 0.0497(12) Uani 1 1 d . . . . .
H5A H 0.386582 0.371323 -0.039105 0.060 Uiso 1 1 calc R U . . .
H5B H 0.436074 0.353810 0.005535 0.060 Uiso 1 1 calc R U . . .
C6 C 0.43149(19) 0.3253(2) 0.3189(6) 0.0480(12) Uani 1 1 d . . . . .
H6A H 0.423956 0.357308 0.399986 0.058 Uiso 1 1 calc R U . . .
H6B H 0.459942 0.337299 0.285545 0.058 Uiso 1 1 calc R U . . .
C7 C 0.43332(18) 0.2577(2) 0.3896(6) 0.0473(11) Uani 1 1 d . . . . .
H7A H 0.457577 0.254618 0.475043 0.057 Uiso 1 1 calc R U . . .
H7B H 0.406342 0.248384 0.437755 0.057 Uiso 1 1 calc R U . . .
C8 C 0.47991(18) 0.2172(3) 0.1880(6) 0.0507(13) Uani 1 1 d . . . . .
H8A H 0.479031 0.258568 0.126948 0.061 Uiso 1 1 calc R U . . .
H8B H 0.482396 0.181002 0.111162 0.061 Uiso 1 1 calc R U . . .
C9 C 0.35458(19) 0.3421(3) 0.2219(7) 0.0554(13) Uani 1 1 d . . . . .
H9A H 0.352315 0.389460 0.242998 0.066 Uiso 1 1 calc R U . . .
H9B H 0.349347 0.318242 0.320674 0.066 Uiso 1 1 calc R U . . .
C10 C 0.32190(19) 0.3226(3) 0.0873(7) 0.0545(13) Uani 1 1 d . . . . .
C11 C 0.2854(2) 0.3596(3) 0.0429(8) 0.0655(16) Uani 1 1 d . . . . .
H11A H 0.279153 0.397457 0.101549 0.079 Uiso 1 1 calc R U . . .
C12 C 0.2586(2) 0.3399(4) -0.0880(8) 0.0715(18) Uani 1 1 d . . . . .
H12A H 0.232829 0.363204 -0.118860 0.086 Uiso 1 1 calc R U . . .
C13 C 0.2692(2) 0.2862(4) -0.1747(8) 0.0732(18) Uani 1 1 d . . . . .
H13A H 0.251846 0.273155 -0.268937 0.088 Uiso 1 1 calc R U . . .
C14 C 0.3052(2) 0.2524(3) -0.1214(8) 0.0637(16) Uani 1 1 d . . . . .
H14A H 0.311871 0.214187 -0.178011 0.076 Uiso 1 1 calc R U . . .
C15 C 0.43310(19) 0.1419(2) 0.3149(6) 0.0500(12) Uani 1 1 d . . . . .
H15A H 0.416131 0.141803 0.408320 0.060 Uiso 1 1 calc R U . . .
H15B H 0.461502 0.122139 0.348838 0.060 Uiso 1 1 calc R U . . .
C16 C 0.4104(2) 0.1021(3) 0.1832(6) 0.0531(13) Uani 1 1 d . . . . .
C17 C 0.4138(2) 0.0351(3) 0.1804(7) 0.0639(16) Uani 1 1 d . . . . .
H17A H 0.433642 0.013011 0.255271 0.077 Uiso 1 1 calc R U . . .
C18 C 0.3882(3) 0.0009(3) 0.0681(8) 0.077(2) Uani 1 1 d . . . . .
H18A H 0.389762 -0.045365 0.065095 0.092 Uiso 1 1 calc R U . . .
C19 C 0.3600(3) 0.0338(3) -0.0407(7) 0.079(2) Uani 1 1 d . . . . .
H19A H 0.341298 0.010672 -0.117354 0.095 Uiso 1 1 calc R U . . .
C20 C 0.3596(2) 0.1008(3) -0.0358(7) 0.0671(17) Uani 1 1 d . . . . .
H20A H 0.341242 0.123709 -0.113902 0.081 Uiso 1 1 calc R U . . .
Cl1 Cl 0.500000 0.88069(9) 0.250000 0.0508(4) Uani 1 2 d S T P . .
O3 O 0.4831(5) 0.9056(7) 0.3861(15) 0.078(4) Uani 0.546(15) 1 d . . P A 1
O4 O 0.4792(4) 0.8237(5) 0.1930(11) 0.086(4) Uani 0.546(15) 1 d . . P A 1
O3' O 0.5033(6) 0.9282(7) 0.3741(19) 0.075(4) Uani 0.454(15) 1 d . . P A 2
O4' O 0.4544(3) 0.8673(5) 0.2116(12) 0.062(4) Uani 0.454(15) 1 d . . P A 2
Cl2 Cl 0.32310(5) 0.83588(8) 0.9896(2) 0.0671(4) Uani 1 1 d . . . . .
O5 O 0.36205(14) 0.8376(2) 1.0963(5) 0.0648(11) Uani 1 1 d . . . . .
O6 O 0.3278(5) 0.8707(9) 0.8612(19) 0.092(5) Uani 0.585(14) 1 d . U P B 1
O7 O 0.3112(3) 0.7689(4) 0.9713(12) 0.076(4) Uani 0.585(14) 1 d . U P B 1
O8 O 0.2905(3) 0.8607(5) 1.0828(13) 0.083(3) Uani 0.585(14) 1 d . U P B 1
O6' O 0.3192(9) 0.8953(11) 0.884(3) 0.104(8) Uani 0.415(14) 1 d . U P B 2
O7' O 0.3316(5) 0.7939(8) 0.8464(18) 0.099(6) Uani 0.415(14) 1 d . U P B 2
O8' O 0.2825(7) 0.8201(14) 1.027(3) 0.140(8) Uani 0.415(14) 1 d . U P B 2


_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 N4 2.003(5) . ?
Cu1 N3 2.019(5) . ?
Cu1 N2 2.049(4) . ?
Cu1 N1 2.065(4) . ?
Cu1 O2 2.200(4) . ?
O1 C3 1.370(6) . ?
O1 C4 1.435(7) . ?
O2 H2B 0.9593 . ?
O2 H2C 0.9887 . ?
N1 C9 1.488(8) . ?
N1 C5 1.494(7) . ?
N1 C6 1.497(6) . ?
N2 C7 1.477(6) . ?
N2 C15 1.478(6) . ?
N2 C8 1.483(7) . ?
N3 C10 1.330(7) . ?
N3 C14 1.333(7) . ?
N4 C20 1.337(7) . ?
N4 C16 1.346(7) . ?
C1 C1 1.356(12) 2_655 ?
C1 C2 1.374(7) . ?
C1 H1A 0.9500 . ?
C2 C3 1.392(7) . ?
C2 H2A 0.9500 . ?
C3 C3 1.401(11) 2_655 ?
C4 C5 1.513(7) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.506(7) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C8 1.546(10) 2_655 ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.497(7) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.388(8) . ?
C11 C12 1.371(8) . ?
C11 H11A 0.9500 . ?
C12 C13 1.379(10) . ?
C12 H12A 0.9500 . ?
C13 C14 1.356(9) . ?
C13 H13A 0.9500 . ?
C14 H14A 0.9500 . ?
C15 C16 1.492(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.378(7) . ?
C17 C18 1.365(9) . ?
C17 H17A 0.9500 . ?
C18 C19 1.377(10) . ?
C18 H18A 0.9500 . ?
C19 C20 1.374(9) . ?
C19 H19A 0.9500 . ?
C20 H20A 0.9500 . ?
Cl1 O4 1.396(8) 2_655 ?
Cl1 O4 1.396(8) . ?
Cl1 O3 1.402(13) 2_655 ?
Cl1 O3 1.402(13) . ?
Cl1 O3' 1.422(13) 2_655 ?
Cl1 O3' 1.422(13) . ?
Cl1 O4' 1.453(9) . ?
Cl1 O4' 1.453(9) 2_655 ?
O4 O4 1.53(2) 2_655 ?
Cl2 O6 1.313(16) . ?
Cl2 O8' 1.38(2) . ?
Cl2 O7 1.426(7) . ?
Cl2 O5 1.435(4) . ?
Cl2 O8 1.440(9) . ?
Cl2 O6' 1.50(2) . ?
Cl2 O7' 1.523(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
N4 Cu1 N3 107.0(2) . . ?
N4 Cu1 N2 83.08(18) . . ?
N3 Cu1 N2 157.27(19) . . ?
N4 Cu1 N1 164.72(17) . . ?
N3 Cu1 N1 81.51(18) . . ?
N2 Cu1 N1 84.67(16) . . ?
N4 Cu1 O2 93.64(17) . . ?
N3 Cu1 O2 94.91(17) . . ?
N2 Cu1 O2 104.91(17) . . ?
N1 Cu1 O2 98.32(16) . . ?
C3 O1 C4 116.6(4) . . ?
Cu1 O2 H2B 143.1 . . ?
Cu1 O2 H2C 100.1 . . ?
H2B O2 H2C 96.9 . . ?
C9 N1 C5 110.6(4) . . ?
C9 N1 C6 112.4(4) . . ?
C5 N1 C6 112.2(4) . . ?
C9 N1 Cu1 100.8(3) . . ?
C5 N1 Cu1 111.9(3) . . ?
C6 N1 Cu1 108.4(3) . . ?
C7 N2 C15 112.4(4) . . ?
C7 N2 C8 114.2(4) . . ?
C15 N2 C8 111.3(4) . . ?
C7 N2 Cu1 102.0(3) . . ?
C15 N2 Cu1 107.9(3) . . ?
C8 N2 Cu1 108.4(3) . . ?
C10 N3 C14 118.1(5) . . ?
C10 N3 Cu1 111.6(3) . . ?
C14 N3 Cu1 130.1(4) . . ?
C20 N4 C16 118.1(5) . . ?
C20 N4 Cu1 127.7(4) . . ?
C16 N4 Cu1 114.1(3) . . ?
C1 C1 C2 121.3(3) 2_655 . ?
C1 C1 H1A 119.4 2_655 . ?
C2 C1 H1A 119.4 . . ?
C1 C2 C3 118.9(5) . . ?
C1 C2 H2A 120.5 . . ?
C3 C2 H2A 120.5 . . ?
O1 C3 C2 125.5(5) . . ?
O1 C3 C3 114.8(3) . 2_655 ?
C2 C3 C3 119.7(3) . 2_655 ?
O1 C4 C5 107.4(4) . . ?
O1 C4 H4A 110.2 . . ?
C5 C4 H4A 110.2 . . ?
O1 C4 H4B 110.2 . . ?
C5 C4 H4B 110.2 . . ?
H4A C4 H4B 108.5 . . ?
N1 C5 C4 117.1(4) . . ?
N1 C5 H5A 108.0 . . ?
C4 C5 H5A 108.0 . . ?
N1 C5 H5B 108.0 . . ?
C4 C5 H5B 108.0 . . ?
H5A C5 H5B 107.3 . . ?
N1 C6 C7 108.8(4) . . ?
N1 C6 H6A 109.9 . . ?
C7 C6 H6A 109.9 . . ?
N1 C6 H6B 109.9 . . ?
C7 C6 H6B 109.9 . . ?
H6A C6 H6B 108.3 . . ?
N2 C7 C6 109.3(4) . . ?
N2 C7 H7A 109.8 . . ?
C6 C7 H7A 109.8 . . ?
N2 C7 H7B 109.8 . . ?
C6 C7 H7B 109.8 . . ?
H7A C7 H7B 108.3 . . ?
N2 C8 C8 113.0(5) . 2_655 ?
N2 C8 H8A 109.0 . . ?
C8 C8 H8A 109.0 2_655 . ?
N2 C8 H8B 109.0 . . ?
C8 C8 H8B 109.0 2_655 . ?
H8A C8 H8B 107.8 . . ?
N1 C9 C10 108.9(4) . . ?
N1 C9 H9A 109.9 . . ?
C10 C9 H9A 109.9 . . ?
N1 C9 H9B 109.9 . . ?
C10 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
N3 C10 C11 122.2(5) . . ?
N3 C10 C9 115.3(5) . . ?
C11 C10 C9 122.3(5) . . ?
C12 C11 C10 118.1(6) . . ?
C12 C11 H11A 120.9 . . ?
C10 C11 H11A 120.9 . . ?
C11 C12 C13 119.8(6) . . ?
C11 C12 H12A 120.1 . . ?
C13 C12 H12A 120.1 . . ?
C14 C13 C12 118.0(6) . . ?
C14 C13 H13A 121.0 . . ?
C12 C13 H13A 121.0 . . ?
N3 C14 C13 123.6(6) . . ?
N3 C14 H14A 118.2 . . ?
C13 C14 H14A 118.2 . . ?
N2 C15 C16 111.0(4) . . ?
N2 C15 H15A 109.4 . . ?
C16 C15 H15A 109.4 . . ?
N2 C15 H15B 109.4 . . ?
C16 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
N4 C16 C17 122.1(5) . . ?
N4 C16 C15 116.0(5) . . ?
C17 C16 C15 121.7(5) . . ?
C18 C17 C16 118.8(6) . . ?
C18 C17 H17A 120.6 . . ?
C16 C17 H17A 120.6 . . ?
C17 C18 C19 119.7(6) . . ?
C17 C18 H18A 120.1 . . ?
C19 C18 H18A 120.1 . . ?
C20 C19 C18 118.4(6) . . ?
C20 C19 H19A 120.8 . . ?
C18 C19 H19A 120.8 . . ?
N4 C20 C19 122.6(6) . . ?
N4 C20 H20A 118.7 . . ?
C19 C20 H20A 118.7 . . ?
O4 Cl1 O4 66.6(10) 2_655 . ?
O4 Cl1 O3 112.5(8) 2_655 2_655 ?
O4 Cl1 O3 103.1(7) . 2_655 ?
O4 Cl1 O3 103.1(7) 2_655 . ?
O4 Cl1 O3 112.5(8) . . ?
O3 Cl1 O3 137.2(12) 2_655 . ?
O4 Cl1 O3' 145.0(9) 2_655 2_655 ?
O4 Cl1 O3' 109.1(7) . 2_655 ?
O3 Cl1 O3' 32.7(6) 2_655 2_655 ?
O3 Cl1 O3' 110.0(10) . 2_655 ?
O3' Cl1 O3' 93.5(13) 2_655 . ?
O3' Cl1 O4' 88.4(8) 2_655 . ?
O3' Cl1 O4' 106.6(8) . . ?
O4 Cl1 O4' 49.9(5) 2_655 2_655 ?
O4 Cl1 O4' 109.2(8) . 2_655 ?
O3 Cl1 O4' 78.9(7) 2_655 2_655 ?
O3 Cl1 O4' 109.3(7) . 2_655 ?
O3' Cl1 O4' 106.6(8) 2_655 2_655 ?
O3' Cl1 O4' 88.4(8) . 2_655 ?
O4' Cl1 O4' 158.3(8) . 2_655 ?
Cl1 O4 O4 56.7(5) . 2_655 ?
O6 Cl2 O7 119.0(8) . . ?
O6 Cl2 O5 109.9(7) . . ?
O8' Cl2 O5 127.4(9) . . ?
O7 Cl2 O5 106.6(3) . . ?
O6 Cl2 O8 113.4(8) . . ?
O7 Cl2 O8 102.0(6) . . ?
O5 Cl2 O8 104.8(5) . . ?
O8' Cl2 O6' 107.7(15) . . ?
O5 Cl2 O6' 111.0(10) . . ?
O8' Cl2 O7' 106.7(12) . . ?
O5 Cl2 O7' 107.5(5) . . ?
O6' Cl2 O7' 90.1(11) . . ?

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
C1 C1 C2 C3 0.9(10) 2_655 . . . ?
C4 O1 C3 C2 6.0(8) . . . . ?
C4 O1 C3 C3 -175.4(6) . . . 2_655 ?
C1 C2 C3 O1 -178.8(5) . . . . ?
C1 C2 C3 C3 2.7(10) . . . 2_655 ?
C3 O1 C4 C5 170.2(5) . . . . ?
C9 N1 C5 C4 70.5(6) . . . . ?
C6 N1 C5 C4 -55.9(6) . . . . ?
Cu1 N1 C5 C4 -177.9(4) . . . . ?
O1 C4 C5 N1 77.0(6) . . . . ?
C9 N1 C6 C7 88.3(5) . . . . ?
C5 N1 C6 C7 -146.3(5) . . . . ?
Cu1 N1 C6 C7 -22.3(5) . . . . ?
C15 N2 C7 C6 -169.3(4) . . . . ?
C8 N2 C7 C6 62.7(5) . . . . ?
Cu1 N2 C7 C6 -54.0(5) . . . . ?
N1 C6 C7 N2 52.4(6) . . . . ?
C7 N2 C8 C8 53.7(4) . . . 2_655 ?
C15 N2 C8 C8 -74.9(4) . . . 2_655 ?
Cu1 N2 C8 C8 166.70(12) . . . 2_655 ?
C5 N1 C9 C10 70.9(5) . . . . ?
C6 N1 C9 C10 -162.8(4) . . . . ?
Cu1 N1 C9 C10 -47.6(5) . . . . ?
C14 N3 C10 C11 -0.5(9) . . . . ?
Cu1 N3 C10 C11 175.7(5) . . . . ?
C14 N3 C10 C9 -175.9(5) . . . . ?
Cu1 N3 C10 C9 0.2(6) . . . . ?
N1 C9 C10 N3 33.9(7) . . . . ?
N1 C9 C10 C11 -141.6(6) . . . . ?
N3 C10 C11 C12 1.0(10) . . . . ?
C9 C10 C11 C12 176.2(6) . . . . ?
C10 C11 C12 C13 -2.4(10) . . . . ?
C11 C12 C13 C14 3.3(11) . . . . ?
C10 N3 C14 C13 1.5(10) . . . . ?
Cu1 N3 C14 C13 -173.8(5) . . . . ?
C12 C13 C14 N3 -2.9(11) . . . . ?
C7 N2 C15 C16 141.9(5) . . . . ?
C8 N2 C15 C16 -88.6(5) . . . . ?
Cu1 N2 C15 C16 30.2(6) . . . . ?
C20 N4 C16 C17 2.3(9) . . . . ?
Cu1 N4 C16 C17 -174.9(5) . . . . ?
C20 N4 C16 C15 -173.0(6) . . . . ?
Cu1 N4 C16 C15 9.9(7) . . . . ?
N2 C15 C16 N4 -27.4(7) . . . . ?
N2 C15 C16 C17 157.3(6) . . . . ?
N4 C16 C17 C18 -3.1(10) . . . . ?
C15 C16 C17 C18 171.9(6) . . . . ?
C16 C17 C18 C19 0.8(11) . . . . ?
C17 C18 C19 C20 2.1(12) . . . . ?
C16 N4 C20 C19 0.8(10) . . . . ?
Cu1 N4 C20 C19 177.5(6) . . . . ?
C18 C19 C20 N4 -3.0(12) . . . . ?
O3 Cl1 O4 O4 109.1(9) 2_655 . . 2_655 ?
O3 Cl1 O4 O4 -95.1(9) . . . 2_655 ?

_refine_diff_density_max         1.216
_refine_diff_density_min         -0.757
_refine_diff_density_rms         0.088



# start Validation Reply Form
_vrf_PLAT420_ap364Cu             
;
PROBLEM: D-H Without Acceptor    O2     --  H2C    ...  Please Check
RESPONSE: Due to the heavy disorder of anions / solvent molecules the 
potential acceptors of H atoms were modeled using the SQUEEZE method.
;
_vrf_PLAT041_ap364Cu             
;
PROBLEM: Calc. and Reported SumFormula Strings Differ  Please Check
RESPONSE: The heavy disordered perchlorate anion was modeled using the SQUEEZE 
method but was included into the formula to fullfill the neutrality requirement.
;
# end Validation Reply Form
