#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:08:07 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179363 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/60/4326000.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4326000
loop_
_publ_author_name
'Oindrila Das'
'Ennio Zangrando'
'Tapan Kanti Paine'
_publ_section_title
;
 Reactivity of Nickel(II) and Copper(II) Complexes of a β-Aminohydrazone
 Ligand with Pyridine-2-aldehyde: Macrocyclization vs Unprecedented
 Pyrazole Ring Synthesis via C-C Bond-Forming Reaction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8012
_journal_page_last               8019
_journal_paper_doi               10.1021/ic200261j
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C36 H30 Cu2 N8 O2 2+, 2(Cl O4 1-)'
_chemical_formula_sum            'C36 H30 Cl2 Cu2 N8 O10'
_chemical_formula_weight         932.66
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.521(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.147(3)
_cell_length_b                   24.849(4)
_cell_length_c                   13.631(3)
_cell_measurement_temperature    150(2)
_cell_volume                     7838(2)
_computing_cell_refinement       'Bruker Apex II'
_computing_data_collection       'APEX2 v2.1-0 (Bruker AXS)'
_computing_data_reduction        'Bruker Apex II'
_computing_molecular_graphics    'Ortep3/windows (Farrugia,1997)'
_computing_publication_material  'Wingx 1.80.05 (Farrugia, 1999)'
_computing_structure_refinement  'SHELX97 (Sheldrick, 1998)'
_computing_structure_solution    'SHELX97 (Sheldrick, 1998)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex II CCD'
_diffrn_measurement_method       'w/ and f/ scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_sigmaI/netI    0.0325
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            49625
_diffrn_reflns_theta_full        26.03
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         1.20
_exptl_absorpt_coefficient_mu    1.289
_exptl_absorpt_correction_T_max  0.8970
_exptl_absorpt_correction_T_min  0.7536
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_F_000             3792
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.014
_refine_diff_density_min         -0.660
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         7713
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0742P)²+6.6800P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1277
_refine_ls_wR_factor_ref         0.1343
_reflns_number_gt                5977
_reflns_number_total             7713
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic200261j_si_005.cif
_cod_data_source_block           tkp-o12
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4326000
loop_
_symmetry_equiv_pos_as_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'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.168922(19) 0.330494(17) 0.23768(3) 0.03758(14) Uani 1 1 d .
Cu2 Cu 0.282446(19) 0.212705(17) 0.24199(3) 0.03897(15) Uani 1 1 d .
N1 N 0.12291(12) 0.35623(11) 0.35224(19) 0.0316(6) Uani 1 1 d .
N2 N 0.14479(12) 0.37555(11) 0.11895(19) 0.0342(6) Uani 1 1 d .
N3 N 0.22217(12) 0.30439(12) 0.14131(19) 0.0369(7) Uani 1 1 d .
N4 N 0.26661(13) 0.27069(12) 0.15105(19) 0.0378(7) Uani 1 1 d .
N5 N 0.35528(13) 0.21141(12) 0.16160(19) 0.0394(7) Uani 1 1 d .
N6 N 0.28366(13) 0.14820(11) 0.33241(18) 0.0352(6) Uani 1 1 d .
N7 N 0.22202(13) 0.23244(11) 0.32928(19) 0.0358(7) Uani 1 1 d .
N8 N 0.18959(13) 0.27635(11) 0.33447(19) 0.0357(7) Uani 1 1 d .
O1 O 0.27760(11) 0.35051(11) -0.14490(17) 0.0443(6) Uani 1 1 d .
O2 O 0.14711(13) 0.23799(11) 0.63358(18) 0.0523(7) Uani 1 1 d .
C1 C 0.12376(13) 0.32278(12) 0.4307(2) 0.0293(7) Uani 1 1 d .
C2 C 0.09541(14) 0.33536(13) 0.5151(2) 0.0338(7) Uani 1 1 d .
H2 H 0.0958 0.3111 0.5689 0.041 Uiso 1 1 calc R
C3 C 0.06655(15) 0.38357(14) 0.5203(3) 0.0389(8) Uani 1 1 d .
H3 H 0.0472 0.3931 0.5783 0.047 Uiso 1 1 calc R
C4 C 0.06575(14) 0.41794(13) 0.4416(3) 0.0360(8) Uani 1 1 d .
H4 H 0.0455 0.4512 0.4438 0.043 Uiso 1 1 calc R
C5 C 0.09519(14) 0.40303(13) 0.3592(3) 0.0363(8) Uani 1 1 d .
H5 H 0.0957 0.4271 0.3051 0.044 Uiso 1 1 calc R
C6 C 0.18433(14) 0.37591(13) 0.0472(2) 0.0310(7) Uani 1 1 d .
C7 C 0.17976(15) 0.41067(13) -0.0323(2) 0.0355(8) Uani 1 1 d .
H7 H 0.2087 0.4114 -0.0804 0.043 Uiso 1 1 calc R
C8 C 0.13211(15) 0.44435(13) -0.0402(2) 0.0369(8) Uani 1 1 d .
H8 H 0.1282 0.4688 -0.0936 0.044 Uiso 1 1 calc R
C9 C 0.09100(15) 0.44195(13) 0.0294(3) 0.0368(8) Uani 1 1 d .
H9 H 0.0577 0.4642 0.0241 0.044 Uiso 1 1 calc R
C10 C 0.09804(15) 0.40709(13) 0.1077(2) 0.0359(8) Uani 1 1 d .
H10 H 0.0688 0.4054 0.1553 0.043 Uiso 1 1 calc R
C11 C 0.40281(17) 0.18197(17) 0.1794(3) 0.0493(10) Uani 1 1 d .
H11 H 0.4045 0.1595 0.2358 0.059 Uiso 1 1 calc R
C12 C 0.4497(2) 0.1832(2) 0.1183(3) 0.0682(14) Uani 1 1 d .
H12 H 0.4835 0.1629 0.1338 0.082 Uiso 1 1 calc R
C13 C 0.44659(19) 0.2139(2) 0.0355(3) 0.0676(14) Uani 1 1 d .
H13 H 0.4774 0.2135 -0.0092 0.081 Uiso 1 1 calc R
C14 C 0.39854(17) 0.24560(18) 0.0168(3) 0.0516(10) Uani 1 1 d .
H14 H 0.3959 0.2675 -0.0403 0.062 Uiso 1 1 calc R
C15 C 0.35445(15) 0.24468(15) 0.0833(2) 0.0387(8) Uani 1 1 d .
C16 C 0.24868(15) 0.15257(13) 0.4108(2) 0.0338(7) Uani 1 1 d .
C17 C 0.24697(16) 0.11330(14) 0.4813(3) 0.0408(8) Uani 1 1 d .
H17 H 0.2242 0.1179 0.5376 0.049 Uiso 1 1 calc R
C18 C 0.27904(17) 0.06669(14) 0.4690(3) 0.0451(9) Uani 1 1 d .
H18 H 0.2785 0.0391 0.5172 0.054 Uiso 1 1 calc R
C19 C 0.31112(17) 0.06073(14) 0.3877(3) 0.0441(9) Uani 1 1 d .
H19 H 0.3322 0.0285 0.3773 0.053 Uiso 1 1 calc R
C20 C 0.31264(16) 0.10205(14) 0.3209(2) 0.0405(8) Uani 1 1 d .
H20 H 0.3352 0.0977 0.2642 0.049 Uiso 1 1 calc R
C23 C 0.16032(14) 0.27513(13) 0.4170(2) 0.0312(7) Uani 1 1 d .
C24 C 0.17343(15) 0.22737(12) 0.4685(2) 0.0310(7) Uani 1 1 d .
C25 C 0.21365(14) 0.20214(13) 0.4079(2) 0.0316(7) Uani 1 1 d .
C28 C 0.22979(15) 0.33569(14) 0.0627(2) 0.0351(8) Uani 1 1 d .
C29 C 0.28193(15) 0.32149(14) 0.0193(2) 0.0342(7) Uani 1 1 d .
C30 C 0.30358(15) 0.28020(14) 0.0788(2) 0.0356(8) Uani 1 1 d .
C31 C 0.30711(15) 0.34668(15) -0.0691(2) 0.0389(8) Uani 1 1 d .
C32 C 0.36557(18) 0.36660(19) -0.0604(3) 0.0563(11) Uani 1 1 d .
H32 H 0.3819 0.3692 0.0042 0.068 Uiso 1 1 calc R
C33 C 0.3993(2) 0.3818(2) -0.1339(3) 0.0742(14) Uani 1 1 d .
C34 C 0.3818(3) 0.3819(3) -0.2388(4) 0.116(3) Uani 1 1 d .
H34A H 0.4138 0.3951 -0.2778 0.174 Uiso 1 1 calc R
H34B H 0.3481 0.4053 -0.2489 0.174 Uiso 1 1 calc R
H34C H 0.3718 0.3452 -0.2593 0.174 Uiso 1 1 calc R
C35 C 0.4608(3) 0.3996(4) -0.1112(5) 0.123(3) Uani 1 1 d .
H35A H 0.4793 0.4101 -0.1722 0.185 Uiso 1 1 calc R
H35B H 0.4823 0.3698 -0.0806 0.185 Uiso 1 1 calc R
H35C H 0.4605 0.4303 -0.0662 0.185 Uiso 1 1 calc R
C36 C 0.14671(17) 0.20820(14) 0.5611(3) 0.0410(8) Uani 1 1 d .
C37 C 0.11905(18) 0.15589(17) 0.5576(3) 0.0519(10) Uani 1 1 d .
H37 H 0.1143 0.1395 0.4949 0.062 Uiso 1 1 calc R
C38 C 0.0994(2) 0.1282(2) 0.6351(4) 0.0681(13) Uani 1 1 d .
C39 C 0.1049(3) 0.1467(3) 0.7378(4) 0.0912(18) Uani 1 1 d .
H39A H 0.0868 0.1204 0.7809 0.137 Uiso 1 1 calc R
H39B H 0.0857 0.1816 0.7444 0.137 Uiso 1 1 calc R
H39C H 0.1459 0.1504 0.7564 0.137 Uiso 1 1 calc R
C40 C 0.0703(3) 0.0752(3) 0.6192(5) 0.104(2) Uani 1 1 d .
H40A H 0.0581 0.0608 0.6823 0.155 Uiso 1 1 calc R
H40B H 0.0973 0.0500 0.5894 0.155 Uiso 1 1 calc R
H40C H 0.0364 0.0799 0.5755 0.155 Uiso 1 1 calc R
Cl1 Cl 0.25152(5) 0.44957(5) 0.26357(7) 0.0582(3) Uani 1 1 d D
O11 O 0.24623(13) 0.39311(12) 0.2849(2) 0.0580(7) Uani 1 1 d D
O12 O 0.19727(15) 0.47524(13) 0.2818(3) 0.0760(10) Uani 1 1 d D
O13 O 0.26562(17) 0.45601(14) 0.1628(2) 0.0801(10) Uani 1 1 d D
O14 O 0.29505(18) 0.47195(17) 0.3248(3) 0.1021(13) Uani 1 1 d D
Cl2 Cl 0.0000 0.46344(4) 0.7500 0.0394(3) Uani 1 2 d SD
O21 O 0.0017(3) 0.4764(3) 0.8553(4) 0.0646(16) Uiso 0.50 1 d PD
O22 O -0.0189(3) 0.4109(2) 0.7373(5) 0.0751(19) Uiso 0.50 1 d PD
O23 O 0.0655(3) 0.4615(4) 0.7477(7) 0.106(3) Uiso 0.50 1 d PD
O24 O -0.0034(6) 0.5041(5) 0.6906(8) 0.160(5) Uiso 0.50 1 d PD
Cl3 Cl 0.01337(15) 0.26851(10) 0.2444(5) 0.0688(12) Uani 0.50 1 d PD
O31 O 0.0043(5) 0.3228(3) 0.2249(6) 0.101(3) Uiso 0.50 1 d PD
O32 O 0.0151(5) 0.2330(5) 0.3255(8) 0.108(5) Uiso 0.50 1 d PD
O33 O -0.0257(4) 0.2474(4) 0.1681(7) 0.081(3) Uiso 0.50 1 d PD
O34 O 0.0696(3) 0.2717(3) 0.2050(5) 0.083(2) Uiso 0.50 1 d PD
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'
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'
Cu Cu 0.3201 1.2651 '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'
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
N8 Cu1 N3 94.55(11) . .
N8 Cu1 N1 79.56(10) . .
N3 Cu1 N1 171.75(12) . .
N8 Cu1 N2 169.34(12) . .
N3 Cu1 N2 79.10(10) . .
N1 Cu1 N2 107.57(10) . .
N8 Cu1 O11 95.56(11) . .
N3 Cu1 O11 85.25(12) . .
N1 Cu1 O11 89.55(11) . .
N2 Cu1 O11 92.45(10) . .
N8 Cu1 O34 86.05(18) . .
N3 Cu1 O34 104.86(18) . .
N1 Cu1 O34 80.66(17) . .
N2 Cu1 O34 87.32(18) . .
O11 Cu1 O34 169.64(17) . .
N7 Cu2 N4 94.48(11) . .
N7 Cu2 N6 79.84(11) . .
N4 Cu2 N6 169.44(13) . .
N7 Cu2 N5 164.42(12) . .
N4 Cu2 N5 79.15(11) . .
N6 Cu2 N5 108.51(11) . .
N7 Cu2 O1 94.93(11) . 7
N4 Cu2 O1 92.08(11) . 7
N6 Cu2 O1 79.64(10) . 7
N5 Cu2 O1 99.47(10) . 7
N7 Cu2 O2 86.03(11) . 7_556
N4 Cu2 O2 99.83(11) . 7_556
N6 Cu2 O2 88.73(10) . 7_556
N5 Cu2 O2 81.14(10) . 7_556
O1 Cu2 O2 167.95(8) 7 7_556
C5 N1 C1 118.5(3) . .
C5 N1 Cu1 126.6(2) . .
C1 N1 Cu1 114.8(2) . .
C10 N2 C6 118.1(3) . .
C10 N2 Cu1 128.0(2) . .
C6 N2 Cu1 113.6(2) . .
N4 N3 C28 109.1(3) . .
N4 N3 Cu1 130.3(2) . .
C28 N3 Cu1 116.6(2) . .
N3 N4 C30 108.8(3) . .
N3 N4 Cu2 131.9(2) . .
C30 N4 Cu2 119.3(2) . .
C11 N5 C15 118.2(3) . .
C11 N5 Cu2 126.8(2) . .
C15 N5 Cu2 114.9(2) . .
C20 N6 C16 118.0(3) . .
C20 N6 Cu2 127.3(2) . .
C16 N6 Cu2 114.6(2) . .
N8 N7 C25 109.2(3) . .
N8 N7 Cu2 131.6(2) . .
C25 N7 Cu2 118.6(2) . .
N7 N8 C23 109.2(3) . .
N7 N8 Cu1 131.7(2) . .
C23 N8 Cu1 118.1(2) . .
N1 C1 C2 121.6(3) . .
N1 C1 C23 113.0(3) . .
C2 C1 C23 125.3(3) . .
C3 C2 C1 119.0(3) . .
C3 C2 H2 120.5 . .
C1 C2 H2 120.5 . .
C4 C3 C2 120.0(3) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 118.2(3) . .
C3 C4 H4 120.9 . .
C5 C4 H4 120.9 . .
N1 C5 C4 122.8(3) . .
N1 C5 H5 118.6 . .
C4 C5 H5 118.6 . .
N2 C6 C7 121.9(3) . .
N2 C6 C28 112.8(3) . .
C7 C6 C28 125.3(3) . .
C8 C7 C6 118.7(3) . .
C8 C7 H7 120.6 . .
C6 C7 H7 120.6 . .
C9 C8 C7 119.2(3) . .
C9 C8 H8 120.4 . .
C7 C8 H8 120.4 . .
C8 C9 C10 119.7(3) . .
C8 C9 H9 120.1 . .
C10 C9 H9 120.1 . .
N2 C10 C9 122.2(3) . .
N2 C10 H10 118.9 . .
C9 C10 H10 118.9 . .
N5 C11 C12 122.2(4) . .
N5 C11 H11 118.9 . .
C12 C11 H11 118.9 . .
C13 C12 C11 119.0(4) . .
C13 C12 H12 120.5 . .
C11 C12 H12 120.5 . .
C12 C13 C14 119.8(4) . .
C12 C13 H13 120.1 . .
C14 C13 H13 120.1 . .
C13 C14 C15 118.3(4) . .
C13 C14 H14 120.9 . .
C15 C14 H14 120.9 . .
N5 C15 C14 122.2(3) . .
N5 C15 C30 113.3(3) . .
C14 C15 C30 124.5(3) . .
N6 C16 C17 121.5(3) . .
N6 C16 C25 112.5(3) . .
C17 C16 C25 126.0(3) . .
C16 C17 C18 119.0(3) . .
C16 C17 H17 120.5 . .
C18 C17 H17 120.5 . .
C19 C18 C17 119.7(3) . .
C19 C18 H18 120.2 . .
C17 C18 H18 120.2 . .
C18 C19 C20 118.9(3) . .
C18 C19 H19 120.5 . .
C20 C19 H19 120.5 . .
N6 C20 C19 122.7(3) . .
N6 C20 H20 118.6 . .
C19 C20 H20 118.6 . .
N8 C23 C24 109.5(3) . .
N8 C23 C1 113.4(3) . .
C24 C23 C1 137.1(3) . .
C23 C24 C25 102.7(3) . .
C23 C24 C36 126.9(3) . .
C25 C24 C36 130.3(3) . .
N7 C25 C24 109.5(3) . .
N7 C25 C16 113.8(3) . .
C24 C25 C16 136.7(3) . .
N3 C28 C29 108.9(3) . .
N3 C28 C6 113.8(3) . .
C29 C28 C6 137.2(3) . .
C30 C29 C28 103.9(3) . .
C30 C29 C31 129.6(3) . .
C28 C29 C31 126.5(3) . .
N4 C30 C29 109.3(3) . .
N4 C30 C15 112.9(3) . .
C29 C30 C15 137.8(3) . .
O1 C31 C32 122.9(3) . .
O1 C31 C29 119.5(3) . .
C32 C31 C29 117.6(3) . .
C33 C32 C31 126.7(4) . .
C33 C32 H32 116.6 . .
C31 C32 H32 116.6 . .
C32 C33 C34 125.0(5) . .
C32 C33 C35 119.4(5) . .
C34 C33 C35 115.5(4) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O2 C36 C37 123.9(3) . .
O2 C36 C24 119.3(3) . .
C37 C36 C24 116.7(3) . .
C38 C37 C36 126.1(4) . .
C38 C37 H37 117.0 . .
C36 C37 H37 117.0 . .
C37 C38 C39 124.2(5) . .
C37 C38 C40 119.7(5) . .
C39 C38 C40 116.1(4) . .
C38 C39 H39A 109.5 . .
C38 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C38 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C38 C40 H40A 109.5 . .
C38 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C38 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
O14 Cl1 O13 110.4(3) . .
O14 Cl1 O12 109.8(3) . .
O13 Cl1 O12 109.8(2) . .
O14 Cl1 O11 109.2(2) . .
O13 Cl1 O11 109.0(2) . .
O12 Cl1 O11 108.6(2) . .
Cl1 O11 Cu1 129.28(17) . .
O24 Cl2 O24 77.6(11) . 2_556
O24 Cl2 O22 145.7(6) . 2_556
O24 Cl2 O22 130.0(6) 2_556 2_556
O24 Cl2 O22 130.0(6) . .
O24 Cl2 O22 145.7(7) 2_556 .
O22 Cl2 O22 39.2(5) 2_556 .
O24 Cl2 O21 116.0(7) . .
O24 Cl2 O21 38.7(5) 2_556 .
O22 Cl2 O21 94.9(4) 2_556 .
O22 Cl2 O21 109.2(4) . .
O24 Cl2 O21 38.7(5) . 2_556
O24 Cl2 O21 116.0(7) 2_556 2_556
O22 Cl2 O21 109.2(4) 2_556 2_556
O22 Cl2 O21 94.9(4) . 2_556
O21 Cl2 O21 154.6(5) . 2_556
O24 Cl2 O23 93.2(7) . .
O24 Cl2 O23 89.6(7) 2_556 .
O22 Cl2 O23 70.2(4) 2_556 .
O22 Cl2 O23 106.2(4) . .
O21 Cl2 O23 91.5(4) . .
O21 Cl2 O23 89.3(4) 2_556 .
O24 Cl2 O23 89.6(7) . 2_556
O24 Cl2 O23 93.2(7) 2_556 2_556
O22 Cl2 O23 106.2(4) 2_556 2_556
O22 Cl2 O23 70.2(4) . 2_556
O21 Cl2 O23 89.3(4) . 2_556
O21 Cl2 O23 91.5(4) 2_556 2_556
O23 Cl2 O23 176.4(7) . 2_556
O24 O21 Cl2 60.4(7) 2_556 .
O22 O22 Cl2 70.4(2) 2_556 .
O22 O22 O23 123.8(6) 2_556 2_556
Cl2 O22 O23 58.6(4) . 2_556
Cl2 O23 O22 51.2(3) . 2_556
O21 O24 Cl2 80.9(9) 2_556 .
O21 O24 O24 131.8(8) 2_556 2_556
Cl2 O24 O24 51.2(6) . 2_556
Cl3 Cl3 O33 88.4(11) 2 2
Cl3 Cl3 O31 84.5(5) 2 .
O33 Cl3 O31 125.7(7) 2 .
Cl3 Cl3 O32 79.8(10) 2 .
O33 Cl3 O32 18.2(7) 2 .
O31 Cl3 O32 139.2(7) . .
Cl3 Cl3 O34 171.0(13) 2 .
O33 Cl3 O34 100.6(6) 2 .
O31 Cl3 O34 90.5(5) . .
O32 Cl3 O34 108.8(6) . .
Cl3 Cl3 O32 74.4(10) 2 2
O33 Cl3 O32 115.8(7) 2 2
O31 Cl3 O32 113.8(8) . 2
O32 Cl3 O32 97.9(10) . 2
O34 Cl3 O32 101.0(6) . 2
Cl3 Cl3 O33 65.5(11) 2 .
O33 Cl3 O33 127.9(8) 2 .
O31 Cl3 O33 97.1(7) . .
O32 Cl3 O33 109.7(7) . .
O34 Cl3 O33 107.9(6) . .
O32 Cl3 O33 17.5(7) 2 .
Cl3 Cl3 O31 69.8(5) 2 2
O33 Cl3 O31 99.2(7) 2 2
O31 Cl3 O31 28.9(7) . 2
O32 Cl3 O31 110.6(7) . 2
O34 Cl3 O31 108.7(5) . 2
O32 Cl3 O31 128.4(7) 2 2
O33 Cl3 O31 111.0(7) . 2
Cl3 Cl3 O34 6.2(9) 2 2
O33 Cl3 O34 84.0(5) 2 2
O31 Cl3 O34 83.7(5) . 2
O32 Cl3 O34 76.7(6) . 2
O34 Cl3 O34 174.1(5) . 2
O32 Cl3 O34 80.2(5) 2 2
O33 Cl3 O34 71.7(5) . 2
O31 Cl3 O34 66.5(4) 2 2
O31 O31 Cl3 82.1(5) 2 .
O31 O31 Cl3 69.1(5) 2 2
Cl3 O31 Cl3 25.7(3) . 2
O33 O32 Cl3 70(2) 2 .
O33 O32 Cl3 83(2) 2 2
Cl3 O32 Cl3 25.9(3) . 2
O32 O33 Cl3 92(2) 2 2
O32 O33 Cl3 80(2) 2 .
Cl3 O33 Cl3 26.1(3) 2 .
Cl3 O34 Cl3 2.8(4) . 2
Cl3 O34 Cu1 137.5(5) . .
Cl3 O34 Cu1 138.5(4) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N8 1.936(3) .
Cu1 N3 1.937(3) .
Cu1 N1 2.018(3) .
Cu1 N2 2.034(3) .
Cu1 O11 2.445(3) .
Cu1 O34 2.751(7) .
Cu2 N7 1.924(3) .
Cu2 N4 1.929(3) .
Cu2 N6 2.022(3) .
Cu2 N5 2.035(3) .
Cu2 O1 2.460(3) 7
Cu2 O2 2.625(3) 7_556
N1 C5 1.333(4) .
N1 C1 1.354(4) .
N2 C10 1.342(4) .
N2 C6 1.357(4) .
N3 N4 1.330(4) .
N3 C28 1.339(4) .
N4 C30 1.343(4) .
N5 C11 1.338(4) .
N5 C15 1.350(4) .
N6 C20 1.340(4) .
N6 C16 1.362(4) .
N7 N8 1.327(4) .
N7 C25 1.328(4) .
N8 C23 1.329(4) .
O1 C31 1.227(4) .
O2 C36 1.235(4) .
C1 C2 1.375(4) .
C1 C23 1.470(4) .
C2 C3 1.374(5) .
C2 H2 0.9500 .
C3 C4 1.370(5) .
C3 H3 0.9500 .
C4 C5 1.381(5) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 C7 1.388(4) .
C6 C28 1.463(4) .
C7 C8 1.386(5) .
C7 H7 0.9500 .
C8 C9 1.363(5) .
C8 H8 0.9500 .
C9 C10 1.381(5) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 C12 1.386(6) .
C11 H11 0.9500 .
C12 C13 1.362(6) .
C12 H12 0.9500 .
C13 C14 1.382(5) .
C13 H13 0.9500 .
C14 C15 1.383(5) .
C14 H14 0.9500 .
C15 C30 1.472(5) .
C16 C17 1.370(5) .
C16 C25 1.475(4) .
C17 C18 1.388(5) .
C17 H17 0.9500 .
C18 C19 1.358(5) .
C18 H18 0.9500 .
C19 C20 1.374(5) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C23 C24 1.408(4) .
C24 C25 1.408(4) .
C24 C36 1.498(4) .
C28 C29 1.404(4) .
C29 C30 1.393(5) .
C29 C31 1.490(4) .
C31 C32 1.443(6) .
C32 C33 1.341(6) .
C32 H32 0.9500 .
C33 C34 1.475(7) .
C33 C35 1.514(7) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 C37 1.449(5) .
C37 C38 1.349(6) .
C37 H37 0.9500 .
C38 C39 1.476(7) .
C38 C40 1.493(7) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
Cl1 O14 1.406(4) .
Cl1 O13 1.429(3) .
Cl1 O12 1.436(3) .
Cl1 O11 1.439(3) .
Cl2 O24 1.296(10) .
Cl2 O24 1.296(10) 2_556
Cl2 O22 1.387(6) 2_556
Cl2 O22 1.387(6) .
Cl2 O21 1.471(6) .
Cl2 O21 1.471(6) 2_556
Cl2 O23 1.518(8) .
Cl2 O23 1.518(8) 2_556
O21 O24 0.931(12) 2_556
O22 O22 0.932(12) 2_556
O22 O23 1.674(10) 2_556
O23 O22 1.674(10) 2_556
O24 O21 0.931(12) 2_556
O24 O24 1.62(2) 2_556
Cl3 Cl3 0.641(6) 2
Cl3 O33 1.327(11) 2
Cl3 O31 1.389(7) .
Cl3 O32 1.414(10) .
Cl3 O34 1.423(8) .
Cl3 O32 1.445(12) 2
Cl3 O33 1.458(10) .
Cl3 O31 1.473(7) 2
Cl3 O34 2.059(8) 2
O31 O31 0.718(17) 2
O31 Cl3 1.473(7) 2
O32 O33 0.443(17) 2
O32 Cl3 1.445(12) 2
O33 O32 0.443(17) 2
O33 Cl3 1.327(11) 2
O34 Cl3 2.059(8) 2
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_4
N8 Cu1 N1 C5 169.9(3) . .
N3 Cu1 N1 C5 125.1(8) . .
N2 Cu1 N1 C5 -18.3(3) . .
O11 Cu1 N1 C5 74.2(3) . .
O34 Cu1 N1 C5 -102.4(3) . .
N8 Cu1 N1 C1 -6.4(2) . .
N3 Cu1 N1 C1 -51.2(9) . .
N2 Cu1 N1 C1 165.4(2) . .
O11 Cu1 N1 C1 -102.1(2) . .
O34 Cu1 N1 C1 81.3(3) . .
N8 Cu1 N2 C10 115.4(6) . .
N3 Cu1 N2 C10 169.5(3) . .
N1 Cu1 N2 C10 -15.5(3) . .
O11 Cu1 N2 C10 -105.8(3) . .
O34 Cu1 N2 C10 63.8(3) . .
N8 Cu1 N2 C6 -70.2(7) . .
N3 Cu1 N2 C6 -16.1(2) . .
N1 Cu1 N2 C6 158.9(2) . .
O11 Cu1 N2 C6 68.6(2) . .
O34 Cu1 N2 C6 -121.8(3) . .
N8 Cu1 N3 N4 -15.1(3) . .
N1 Cu1 N3 N4 29.0(10) . .
N2 Cu1 N3 N4 173.5(3) . .
O11 Cu1 N3 N4 80.1(3) . .
O34 Cu1 N3 N4 -102.2(4) . .
N8 Cu1 N3 C28 -170.1(3) . .
N1 Cu1 N3 C28 -126.0(8) . .
N2 Cu1 N3 C28 18.6(3) . .
O11 Cu1 N3 C28 -74.9(3) . .
O34 Cu1 N3 C28 102.8(3) . .
C28 N3 N4 C30 0.3(4) . .
Cu1 N3 N4 C30 -156.1(3) . .
C28 N3 N4 Cu2 -176.3(3) . .
Cu1 N3 N4 Cu2 27.3(5) . .
N7 Cu2 N4 N3 -12.8(3) . .
N6 Cu2 N4 N3 44.1(8) . .
N5 Cu2 N4 N3 -178.5(3) . .
O1 Cu2 N4 N3 82.3(3) 7 .
O2 Cu2 N4 N3 -99.6(3) 7_556 .
N7 Cu2 N4 C30 170.8(3) . .
N6 Cu2 N4 C30 -132.2(5) . .
N5 Cu2 N4 C30 5.2(3) . .
O1 Cu2 N4 C30 -94.1(3) 7 .
O2 Cu2 N4 C30 84.1(3) 7_556 .
N7 Cu2 N5 C11 105.4(5) . .
N4 Cu2 N5 C11 172.4(3) . .
N6 Cu2 N5 C11 -15.1(4) . .
O1 Cu2 N5 C11 -97.3(3) 7 .
O2 Cu2 N5 C11 70.5(3) 7_556 .
N7 Cu2 N5 C15 -73.7(5) . .
N4 Cu2 N5 C15 -6.7(3) . .
N6 Cu2 N5 C15 165.8(2) . .
O1 Cu2 N5 C15 83.6(3) 7 .
O2 Cu2 N5 C15 -108.6(3) 7_556 .
N7 Cu2 N6 C20 170.4(3) . .
N4 Cu2 N6 C20 112.3(6) . .
N5 Cu2 N6 C20 -23.2(3) . .
O1 Cu2 N6 C20 73.4(3) 7 .
O2 Cu2 N6 C20 -103.4(3) 7_556 .
N7 Cu2 N6 C16 -6.5(2) . .
N4 Cu2 N6 C16 -64.7(7) . .
N5 Cu2 N6 C16 159.9(2) . .
O1 Cu2 N6 C16 -103.5(3) 7 .
O2 Cu2 N6 C16 79.7(2) 7_556 .
N4 Cu2 N7 N8 -11.8(3) . .
N6 Cu2 N7 N8 177.1(3) . .
N5 Cu2 N7 N8 53.2(6) . .
O1 Cu2 N7 N8 -104.3(3) 7 .
O2 Cu2 N7 N8 87.7(3) 7_556 .
N4 Cu2 N7 C25 178.5(3) . .
N6 Cu2 N7 C25 7.4(3) . .
N5 Cu2 N7 C25 -116.5(4) . .
O1 Cu2 N7 C25 86.0(3) 7 .
O2 Cu2 N7 C25 -82.0(3) 7_556 .
C25 N7 N8 C23 0.6(4) . .
Cu2 N7 N8 C23 -169.9(3) . .
C25 N7 N8 Cu1 -166.9(3) . .
Cu2 N7 N8 Cu1 22.7(5) . .
N3 Cu1 N8 N7 -9.1(3) . .
N1 Cu1 N8 N7 176.7(4) . .
N2 Cu1 N8 N7 43.8(8) . .
O11 Cu1 N8 N7 -94.8(3) . .
O34 Cu1 N8 N7 95.5(4) . .
N3 Cu1 N8 C23 -175.7(3) . .
N1 Cu1 N8 C23 10.1(3) . .
N2 Cu1 N8 C23 -122.7(6) . .
O11 Cu1 N8 C23 98.7(3) . .
O34 Cu1 N8 C23 -71.1(3) . .
C5 N1 C1 C2 2.0(5) . .
Cu1 N1 C1 C2 178.6(3) . .
C5 N1 C1 C23 -174.4(3) . .
Cu1 N1 C1 C23 2.2(4) . .
N1 C1 C2 C3 -1.3(5) . .
C23 C1 C2 C3 174.7(3) . .
C1 C2 C3 C4 0.8(5) . .
C2 C3 C4 C5 -1.0(5) . .
C1 N1 C5 C4 -2.2(5) . .
Cu1 N1 C5 C4 -178.4(3) . .
C3 C4 C5 N1 1.7(5) . .
C10 N2 C6 C7 5.0(5) . .
Cu1 N2 C6 C7 -169.9(3) . .
C10 N2 C6 C28 -173.7(3) . .
Cu1 N2 C6 C28 11.3(4) . .
N2 C6 C7 C8 -2.7(5) . .
C28 C6 C7 C8 175.9(3) . .
C6 C7 C8 C9 -0.7(5) . .
C7 C8 C9 C10 1.5(5) . .
C6 N2 C10 C9 -4.2(5) . .
Cu1 N2 C10 C9 170.0(3) . .
C8 C9 C10 N2 0.9(6) . .
C15 N5 C11 C12 -2.5(6) . .
Cu2 N5 C11 C12 178.4(4) . .
N5 C11 C12 C13 -2.3(8) . .
C11 C12 C13 C14 3.8(8) . .
C12 C13 C14 C15 -0.6(7) . .
C11 N5 C15 C14 5.9(6) . .
Cu2 N5 C15 C14 -174.9(3) . .
C11 N5 C15 C30 -172.1(3) . .
Cu2 N5 C15 C30 7.1(4) . .
C13 C14 C15 N5 -4.4(6) . .
C13 C14 C15 C30 173.4(4) . .
C20 N6 C16 C17 6.0(5) . .
Cu2 N6 C16 C17 -176.7(3) . .
C20 N6 C16 C25 -172.5(3) . .
Cu2 N6 C16 C25 4.8(4) . .
N6 C16 C17 C18 -3.9(6) . .
C25 C16 C17 C18 174.4(3) . .
C16 C17 C18 C19 -0.3(6) . .
C17 C18 C19 C20 2.3(6) . .
C16 N6 C20 C19 -4.0(5) . .
Cu2 N6 C20 C19 179.1(3) . .
C18 C19 C20 N6 -0.1(6) . .
N7 N8 C23 C24 -1.0(4) . .
Cu1 N8 C23 C24 168.5(2) . .
N7 N8 C23 C1 178.9(3) . .
Cu1 N8 C23 C1 -11.7(4) . .
N1 C1 C23 N8 5.8(4) . .
C2 C1 C23 N8 -170.5(3) . .
N1 C1 C23 C24 -174.5(4) . .
C2 C1 C23 C24 9.3(6) . .
N8 C23 C24 C25 0.9(4) . .
C1 C23 C24 C25 -178.8(4) . .
N8 C23 C24 C36 -175.2(3) . .
C1 C23 C24 C36 5.0(7) . .
N8 N7 C25 C24 0.0(4) . .
Cu2 N7 C25 C24 171.9(2) . .
N8 N7 C25 C16 -178.8(3) . .
Cu2 N7 C25 C16 -6.9(4) . .
C23 C24 C25 N7 -0.6(4) . .
C36 C24 C25 N7 175.4(3) . .
C23 C24 C25 C16 177.8(4) . .
C36 C24 C25 C16 -6.2(7) . .
N6 C16 C25 N7 1.1(4) . .
C17 C16 C25 N7 -177.4(3) . .
N6 C16 C25 C24 -177.3(4) . .
C17 C16 C25 C24 4.3(7) . .
N4 N3 C28 C29 0.0(4) . .
Cu1 N3 C28 C29 160.0(2) . .
N4 N3 C28 C6 -177.8(3) . .
Cu1 N3 C28 C6 -17.7(4) . .
N2 C6 C28 N3 3.4(4) . .
C7 C6 C28 N3 -175.3(3) . .
N2 C6 C28 C29 -173.4(4) . .
C7 C6 C28 C29 7.9(7) . .
N3 C28 C29 C30 -0.3(4) . .
C6 C28 C29 C30 176.7(4) . .
N3 C28 C29 C31 -179.3(3) . .
C6 C28 C29 C31 -2.3(7) . .
N3 N4 C30 C29 -0.5(4) . .
Cu2 N4 C30 C29 176.6(2) . .
N3 N4 C30 C15 -180.0(3) . .
Cu2 N4 C30 C15 -2.8(4) . .
C28 C29 C30 N4 0.5(4) . .
C31 C29 C30 N4 179.4(4) . .
C28 C29 C30 C15 179.7(4) . .
C31 C29 C30 C15 -1.3(7) . .
N5 C15 C30 N4 -3.0(5) . .
C14 C15 C30 N4 179.0(4) . .
N5 C15 C30 C29 177.8(4) . .
C14 C15 C30 C29 -0.2(7) . .
C30 C29 C31 O1 128.5(4) . .
C28 C29 C31 O1 -52.8(5) . .
C30 C29 C31 C32 -52.8(5) . .
C28 C29 C31 C32 126.0(4) . .
O1 C31 C32 C33 -13.6(7) . .
C29 C31 C32 C33 167.6(5) . .
C31 C32 C33 C34 1.2(10) . .
C31 C32 C33 C35 -177.4(5) . .
C23 C24 C36 O2 -54.8(5) . .
C25 C24 C36 O2 130.2(4) . .
C23 C24 C36 C37 122.2(4) . .
C25 C24 C36 C37 -52.9(5) . .
O2 C36 C37 C38 -12.6(7) . .
C24 C36 C37 C38 170.6(4) . .
C36 C37 C38 C39 -2.2(8) . .
C36 C37 C38 C40 178.4(5) . .
O14 Cl1 O11 Cu1 165.5(3) . .
O13 Cl1 O11 Cu1 -73.8(3) . .
O12 Cl1 O11 Cu1 45.9(3) . .
N8 Cu1 O11 Cl1 -162.2(2) . .
N3 Cu1 O11 Cl1 103.7(2) . .
N1 Cu1 O11 Cl1 -82.7(2) . .
N2 Cu1 O11 Cl1 24.9(2) . .
O34 Cu1 O11 Cl1 -63.6(10) . .
O24 Cl2 O21 O24 -6.7(17) . 2_556
O22 Cl2 O21 O24 157.8(11) 2_556 2_556
O22 Cl2 O21 O24 -164.7(10) . 2_556
O21 Cl2 O21 O24 -3.9(10) 2_556 2_556
O23 Cl2 O21 O24 87.6(11) . 2_556
O23 Cl2 O21 O24 -95.9(11) 2_556 2_556
O24 Cl2 O22 O22 132.6(10) . 2_556
O24 Cl2 O22 O22 -90.5(14) 2_556 2_556
O21 Cl2 O22 O22 -73.5(9) . 2_556
O21 Cl2 O22 O22 114.7(9) 2_556 2_556
O23 Cl2 O22 O22 24.0(10) . 2_556
O23 Cl2 O22 O22 -155.5(10) 2_556 2_556
O24 Cl2 O22 O23 -71.9(9) . 2_556
O24 Cl2 O22 O23 65.0(12) 2_556 2_556
O22 Cl2 O22 O23 155.5(10) 2_556 2_556
O21 Cl2 O22 O23 82.0(5) . 2_556
O21 Cl2 O22 O23 -89.8(4) 2_556 2_556
O23 Cl2 O22 O23 179.48(10) . 2_556
O24 Cl2 O23 O22 -149.2(7) . 2_556
O24 Cl2 O23 O22 133.3(6) 2_556 2_556
O22 Cl2 O23 O22 -15.9(7) . 2_556
O21 Cl2 O23 O22 94.6(4) . 2_556
O21 Cl2 O23 O22 -110.7(4) 2_556 2_556
O23 Cl2 O23 O22 -8.0(3) 2_556 2_556
O24 Cl2 O24 O21 173.9(16) 2_556 2_556
O22 Cl2 O24 O21 26.3(17) 2_556 2_556
O22 Cl2 O24 O21 -29.4(14) . 2_556
O21 Cl2 O24 O21 178.1(5) . 2_556
O23 Cl2 O24 O21 84.9(10) . 2_556
O23 Cl2 O24 O21 -92.8(10) 2_556 2_556
O22 Cl2 O24 O24 -147.6(6) 2_556 2_556
O22 Cl2 O24 O24 156.8(5) . 2_556
O21 Cl2 O24 O24 4.3(11) . 2_556
O21 Cl2 O24 O24 -173.9(16) 2_556 2_556
O23 Cl2 O24 O24 -88.9(8) . 2_556
O23 Cl2 O24 O24 93.3(8) 2_556 2_556
Cl3 Cl3 O31 O31 57(2) 2 2
O33 Cl3 O31 O31 -27(2) 2 2
O32 Cl3 O31 O31 -10(2) . 2
O34 Cl3 O31 O31 -130.4(18) . 2
O32 Cl3 O31 O31 127.3(17) 2 2
O33 Cl3 O31 O31 121.5(17) . 2
O34 Cl3 O31 O31 50.9(17) 2 2
O33 Cl3 O31 Cl3 -84.1(12) 2 2
O32 Cl3 O31 Cl3 -67.4(13) . 2
O34 Cl3 O31 Cl3 172.5(14) . 2
O32 Cl3 O31 Cl3 70.2(11) 2 2
O33 Cl3 O31 Cl3 64.4(11) . 2
O31 Cl3 O31 Cl3 -57(2) 2 2
O34 Cl3 O31 Cl3 -6.2(10) 2 2
Cl3 Cl3 O32 O33 -117(3) 2 2
O31 Cl3 O32 O33 -48(3) . 2
O34 Cl3 O32 O33 66(3) . 2
O32 Cl3 O32 O33 170(3) 2 2
O33 Cl3 O32 O33 -177(2) . 2
O31 Cl3 O32 O33 -54(3) 2 2
O34 Cl3 O32 O33 -112(3) 2 2
O33 Cl3 O32 Cl3 117(3) 2 2
O31 Cl3 O32 Cl3 69.0(11) . 2
O34 Cl3 O32 Cl3 -176.9(10) . 2
O32 Cl3 O32 Cl3 -72.4(8) 2 2
O33 Cl3 O32 Cl3 -59.1(9) . 2
O31 Cl3 O32 Cl3 63.7(8) 2 2
O34 Cl3 O32 Cl3 5.5(7) 2 2
Cl3 Cl3 O33 O32 -117(3) 2 2
O33 Cl3 O33 O32 -51(2) 2 2
O31 Cl3 O33 O32 162(3) . 2
O32 Cl3 O33 O32 -49(3) . 2
O34 Cl3 O33 O32 69(3) . 2
O31 Cl3 O33 O32 -172(3) 2 2
O34 Cl3 O33 O32 -117(3) 2 2
O33 Cl3 O33 Cl3 66.8(9) 2 2
O31 Cl3 O33 Cl3 -80.6(6) . 2
O32 Cl3 O33 Cl3 68.2(8) . 2
O34 Cl3 O33 Cl3 -173.5(7) . 2
O32 Cl3 O33 Cl3 117(3) 2 2
O31 Cl3 O33 Cl3 -54.4(6) 2 2
O34 Cl3 O33 Cl3 0.3(5) 2 2
O33 Cl3 O34 Cl3 177(4) 2 2
O31 Cl3 O34 Cl3 -56(4) . 2
O32 Cl3 O34 Cl3 160(4) . 2
O32 Cl3 O34 Cl3 58(4) 2 2
O33 Cl3 O34 Cl3 41(4) . 2
O31 Cl3 O34 Cl3 -79(3) 2 2
O34 Cl3 O34 Cl3 -43.4(8) 2 2
Cl3 Cl3 O34 Cu1 113(4) 2 .
O33 Cl3 O34 Cu1 -69.7(8) 2 .
O31 Cl3 O34 Cu1 56.8(8) . .
O32 Cl3 O34 Cu1 -86.6(8) . .
O32 Cl3 O34 Cu1 171.1(7) 2 .
O33 Cl3 O34 Cu1 154.4(7) . .
O31 Cl3 O34 Cu1 33.9(9) 2 .
O34 Cl3 O34 Cu1 70(5) 2 .
N8 Cu1 O34 Cl3 87.2(7) . .
N3 Cu1 O34 Cl3 -179.1(6) . .
N1 Cu1 O34 Cl3 7.2(7) . .
N2 Cu1 O34 Cl3 -101.1(7) . .
O11 Cu1 O34 Cl3 -12.2(15) . .
N8 Cu1 O34 Cl3 91.1(5) . 2
N3 Cu1 O34 Cl3 -175.2(5) . 2
N1 Cu1 O34 Cl3 11.1(5) . 2
N2 Cu1 O34 Cl3 -97.2(5) . 2
O11 Cu1 O34 Cl3 -8.3(14) . 2
