#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:09:52 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179914 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/09/7020935.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_7020935
loop_
_publ_author_name
'Shen, Bo'
'Shi, Peng-Fei'
'Hou, Yin-Ling'
'Wan, Fan-Fan'
'Gao, Dong-Liang'
'Zhao, Bin'
_publ_section_title
;
 Structural diversity and magnetic properties of five copper--organic
 frameworks containing one-, two-, and three-types of organic ligands
;
_journal_issue                   10
_journal_name_full               'Dalton Transactions'
_journal_page_first              3455
_journal_paper_doi               10.1039/c2dt32515b
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C60 H51 Cu3 N8 O9, 2(Cl O4), 3(H2 O)'
_chemical_formula_sum            'C60 H58 Cl2 Cu3 N8 O20'
_chemical_formula_weight         1472.69
_chemical_name_systematic
;
?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-11-23
_audit_creation_method
;
Olex2 1.1
(compiled 2011.11.01 svn.r2039, GUI svn.r3906)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 117.764(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2073(6)
_cell_length_b                   28.6467(17)
_cell_length_c                   21.9960(14)
_cell_measurement_reflns_used    2596
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.9988
_cell_measurement_theta_min      2.4930
_cell_volume                     6248.9(7)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'MO K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0857
_diffrn_reflns_av_unetI/netI     0.2990
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            18188
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.50
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           n/a
_diffrn_source_voltage           n/a
_exptl_absorpt_coefficient_mu    1.180
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.97435
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3020
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.140
_refine_diff_density_min         -1.081
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.817
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     858
_refine_ls_number_reflns         10847
_refine_ls_number_restraints     872
_refine_ls_restrained_S_all      0.822
_refine_ls_R_factor_all          0.1945
_refine_ls_R_factor_gt           0.0763
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0573P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1461
_refine_ls_wR_factor_ref         0.1708
_reflns_number_gt                3897
_reflns_number_total             10847
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32515b.txt
_cod_data_source_block           cu3
_cod_original_cell_volume        6248.9(6)
_cod_database_code               7020935
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.49716(9) 0.25132(4) 1.29910(6) 0.0141(3) Uani 1 1 d U . .
Cu2 Cu 0.50564(9) 0.36738(4) 1.28022(6) 0.0129(3) Uani 1 1 d U . .
Cu3 Cu 0.0000 0.0000 1.0000 0.0160(4) Uani 1 2 d SU . .
Cu4 Cu 0.0000 0.0000 0.5000 0.0213(4) Uani 1 2 d SU . .
Cl1 Cl 0.6982(3) 0.21579(10) 0.54879(16) 0.0424(7) Uani 1 1 d U . .
Cl2 Cl 0.5000 0.0000 0.0000 0.0404(10) Uani 1 2 d SDU . 1
O1 O 0.1083(5) 0.0586(2) 1.0229(3) 0.0231(15) Uani 1 1 d U . .
O2 O -0.0399(6) 0.1092(2) 1.0246(4) 0.0363(18) Uani 1 1 d U . .
O3 O 0.1779(6) 0.2637(2) 1.0568(4) 0.0392(18) Uani 1 1 d U . .
O4 O 0.3937(5) 0.26738(19) 1.1878(3) 0.0190(14) Uani 1 1 d U . .
O5 O 0.4103(5) 0.34457(18) 1.1746(3) 0.0157(14) Uani 1 1 d U . .
O6 O -0.1501(6) 0.1379(2) 0.3847(4) 0.0495(12) Uani 1 1 d DU . .
O7 O -0.0839(5) 0.0625(2) 0.4708(3) 0.0258(16) Uani 1 1 d U . .
O8 O 0.0701(6) 0.1056(2) 0.5560(4) 0.043(2) Uani 1 1 d U . .
O9 O 0.5409(4) 0.31304(18) 1.3387(3) 0.0143(14) Uani 1 1 d U . .
O10 O -0.2195(6) 0.0415(2) 0.9506(4) 0.0303(17) Uani 1 1 d GU . .
H10A H -0.2034 0.0690 0.9665 0.045 Uiso 1 1 d G . .
H10B H -0.2832 0.0294 0.9559 0.045 Uiso 1 1 d G . .
O13 O 0.6360(7) 0.2220(2) 0.4736(4) 0.057(2) Uani 1 1 d U . .
O14 O 0.7791(7) 0.2568(3) 0.5812(5) 0.078(3) Uani 1 1 d U . .
O16 O 0.5980(7) 0.2096(3) 0.5707(5) 0.074(3) Uani 1 1 d U . .
O15 O 0.7826(8) 0.1751(3) 0.5688(5) 0.093(3) Uani 1 1 d U . .
N1 N -0.0079(6) 0.0019(2) 0.9082(4) 0.0134(17) Uani 1 1 d U . .
N2 N -0.0004(6) 0.0037(2) 0.5899(4) 0.0215(19) Uani 1 1 d U . .
N3 N 0.5187(6) 0.6809(2) 1.2152(4) 0.0154(17) Uani 1 1 d U . .
N4 N 0.4936(6) 0.4369(2) 1.2591(4) 0.0138(17) Uani 1 1 d U . .
N5 N 0.3188(6) 0.2505(2) 1.3038(4) 0.0180(16) Uani 1 1 d U . .
N6 N -0.3162(6) 0.2464(2) 1.3047(3) 0.0132(15) Uani 1 1 d U . .
N7 N 0.3239(6) 0.3733(2) 1.2812(4) 0.0185(18) Uani 1 1 d U . .
N8 N -0.3083(6) 0.3666(2) 1.2830(4) 0.0135(16) Uani 1 1 d U . .
C1 C 0.0687(8) 0.0986(3) 1.0254(5) 0.021(2) Uani 1 1 d U . .
C2 C 0.1653(8) 0.1390(3) 1.0341(5) 0.0308(11) Uani 1 1 d U . .
C3 C 0.2888(8) 0.1296(3) 1.0318(5) 0.0315(11) Uani 1 1 d U . .
H3 H 0.3104 0.0992 1.0258 0.038 Uiso 1 1 calc R . .
C4 C 0.3767(9) 0.1663(3) 1.0385(5) 0.0323(11) Uani 1 1 d U . .
C5 C 0.3387(9) 0.2114(3) 1.0476(5) 0.0317(11) Uani 1 1 d U . .
H5 H 0.3967 0.2360 1.0529 0.038 Uiso 1 1 calc R . .
C6 C 0.2238(9) 0.2205(3) 1.0491(5) 0.0311(11) Uani 1 1 d U . .
C7 C 0.1349(9) 0.1841(3) 1.0419(5) 0.0308(11) Uani 1 1 d U . .
H7 H 0.0541 0.1906 1.0424 0.037 Uiso 1 1 calc R . .
C8 C 0.5080(8) 0.1560(3) 1.0377(5) 0.0367(15) Uani 1 1 d U . .
H8A H 0.5794 0.1543 1.0841 0.055 Uiso 1 1 calc R . .
H8B H 0.5271 0.1804 1.0136 0.055 Uiso 1 1 calc R . .
H8C H 0.5011 0.1268 1.0150 0.055 Uiso 1 1 calc R . .
C9 C 0.2701(9) 0.3026(3) 1.0755(5) 0.037(3) Uani 1 1 d U . .
H9A H 0.2191 0.3315 1.0619 0.044 Uiso 1 1 calc R . .
H9B H 0.3227 0.3003 1.0509 0.044 Uiso 1 1 calc R . .
C10 C 0.3666(7) 0.3038(3) 1.1538(5) 0.015(2) Uani 1 1 d U . .
C11 C 0.3243(12) 0.1218(7) 0.4296(10) 0.0538(7) Uani 0.522(9) 1 d PDU A 1
H11A H 0.3587 0.1531 0.4390 0.081 Uiso 0.522(9) 1 calc PR A 1
H11B H 0.3708 0.1044 0.4098 0.081 Uiso 0.522(9) 1 calc PR A 1
H11C H 0.3382 0.1071 0.4717 0.081 Uiso 0.522(9) 1 calc PR A 1
C12 C 0.1703(8) 0.1229(5) 0.3783(6) 0.0534(4) Uani 0.562(10) 1 d PGDU A 1
C13 C 0.0817(12) 0.1287(6) 0.4057(4) 0.0530(4) Uani 0.562(10) 1 d PGDU A 1
H13 H 0.1147 0.1304 0.4531 0.064 Uiso 0.562(10) 1 calc PR A 1
C14 C -0.0561(11) 0.1319(7) 0.3624(6) 0.0516(10) Uani 0.562(10) 1 d PGDU A 1
C15 C -0.1054(8) 0.1294(6) 0.2916(5) 0.052(4) Uani 0.562(10) 1 d PGDU A 1
H15 H -0.1976 0.1315 0.2626 0.062 Uiso 0.562(10) 1 calc PR A 1
C16 C -0.0169(12) 0.1236(5) 0.2642(4) 0.034(4) Uani 0.562(10) 1 d PGDU A 1
C17 C 0.1209(11) 0.1203(6) 0.3076(6) 0.0534(4) Uani 0.562(10) 1 d PGDU A 1
H17 H 0.1802 0.1165 0.2892 0.064 Uiso 0.562(10) 1 calc PR A 1
C19 C -0.0920(9) 0.1442(3) 0.4567(5) 0.040(3) Uani 1 1 d U A .
H19A H -0.1612 0.1552 0.4680 0.047 Uiso 1 1 calc R . .
H19B H -0.0233 0.1682 0.4704 0.047 Uiso 1 1 calc R . .
C20 C -0.0296(8) 0.1005(3) 0.4974(5) 0.026(2) Uani 1 1 d U . .
C21 C 0.1047(7) 0.0123(3) 0.9034(4) 0.013(2) Uani 1 1 d U . .
H21 H 0.1832 0.0197 0.9430 0.016 Uiso 1 1 calc R . .
C22 C 0.1063(7) 0.0122(3) 0.8414(4) 0.014(2) Uani 1 1 d U . .
H22 H 0.1862 0.0188 0.8400 0.017 Uiso 1 1 calc R . .
C23 C -0.0081(8) 0.0026(3) 0.7814(5) 0.019(2) Uani 1 1 d U . .
C24 C -0.1258(8) -0.0077(3) 0.7860(5) 0.020(2) Uani 1 1 d U . .
H24 H -0.2059 -0.0143 0.7467 0.024 Uiso 1 1 calc R . .
C25 C -0.1208(8) -0.0080(3) 0.8499(5) 0.020(2) Uani 1 1 d U . .
H25 H -0.1988 -0.0153 0.8529 0.024 Uiso 1 1 calc R . .
C26 C 0.1075(8) -0.0094(3) 0.6478(5) 0.023(2) Uani 1 1 d U . .
H26 H 0.1858 -0.0179 0.6459 0.027 Uiso 1 1 calc R . .
C27 C 0.1063(8) -0.0107(3) 0.7103(5) 0.018(2) Uani 1 1 d U . .
H27 H 0.1818 -0.0212 0.7493 0.021 Uiso 1 1 calc R . .
C28 C -0.0061(8) 0.0033(3) 0.7149(5) 0.017(2) Uani 1 1 d U . .
C29 C -0.1188(8) 0.0187(3) 0.6544(5) 0.022(2) Uani 1 1 d U . .
H29 H -0.1973 0.0283 0.6552 0.027 Uiso 1 1 calc R . .
C30 C -0.1090(8) 0.0190(3) 0.5938(5) 0.022(2) Uani 1 1 d U . .
H30 H -0.1815 0.0303 0.5542 0.026 Uiso 1 1 calc R . .
C31 C 0.5829(8) 0.6615(3) 1.2772(5) 0.0200(10) Uani 1 1 d U . .
H31 H 0.6297 0.6809 1.3149 0.024 Uiso 1 1 calc R . .
C32 C 0.5834(8) 0.6129(3) 1.2884(5) 0.0198(9) Uani 1 1 d U . .
H32 H 0.6307 0.6002 1.3322 0.024 Uiso 1 1 calc R . .
C33 C 0.5096(8) 0.5845(3) 1.2309(5) 0.0190(8) Uani 1 1 d U . .
C34 C 0.4467(8) 0.6043(3) 1.1666(5) 0.0198(9) Uani 1 1 d U . .
H34 H 0.4006 0.5859 1.1277 0.024 Uiso 1 1 calc R . .
C35 C 0.4537(8) 0.6532(3) 1.1608(5) 0.0202(10) Uani 1 1 d U . .
H35 H 0.4114 0.6666 1.1173 0.024 Uiso 1 1 calc R . .
C36 C 0.4945(7) 0.4543(3) 1.2037(5) 0.0187(10) Uani 1 1 d U . .
H36 H 0.4921 0.4336 1.1705 0.022 Uiso 1 1 calc R . .
C37 C 0.4990(7) 0.5015(3) 1.1926(5) 0.0185(9) Uani 1 1 d U . .
H37 H 0.4978 0.5119 1.1523 0.022 Uiso 1 1 calc R . .
C38 C 0.5051(8) 0.5333(3) 1.2408(5) 0.0185(8) Uani 1 1 d U . .
C39 C 0.5021(7) 0.5158(3) 1.2985(5) 0.0186(9) Uani 1 1 d U . .
H39 H 0.5044 0.5360 1.3321 0.022 Uiso 1 1 calc R . .
C40 C 0.4957(7) 0.4674(3) 1.3066(5) 0.0187(10) Uani 1 1 d U . .
H40 H 0.4928 0.4560 1.3455 0.022 Uiso 1 1 calc R . .
C41 C 0.1996(8) 0.2533(3) 1.2461(5) 0.027(2) Uani 1 1 d U . .
H41 H 0.2008 0.2561 1.2042 0.032 Uiso 1 1 calc R . .
C42 C 0.0773(8) 0.2523(3) 1.2456(5) 0.024(2) Uani 1 1 d U . .
H42 H -0.0012 0.2552 1.2041 0.029 Uiso 1 1 calc R . .
C43 C 0.0692(7) 0.2471(3) 1.3049(4) 0.018(2) Uani 1 1 d U . .
C44 C 0.1918(7) 0.2436(3) 1.3664(5) 0.024(2) Uani 1 1 d U . .
H44 H 0.1925 0.2398 1.4086 0.029 Uiso 1 1 calc R . .
C45 C 0.3125(8) 0.2460(3) 1.3619(5) 0.023(2) Uani 1 1 d U . .
H45 H 0.3932 0.2444 1.4025 0.028 Uiso 1 1 calc R . .
C46 C -0.3064(8) 0.2386(3) 1.2455(5) 0.020(2) Uani 1 1 d U . .
H46 H -0.3842 0.2336 1.2043 0.024 Uiso 1 1 calc R . .
C47 C -0.1842(7) 0.2381(3) 1.2467(5) 0.016(2) Uani 1 1 d U . .
H47 H -0.1800 0.2327 1.2060 0.019 Uiso 1 1 calc R . .
C48 C -0.0669(7) 0.2455(3) 1.3059(4) 0.017(2) Uani 1 1 d U . .
C49 C -0.0761(7) 0.2537(3) 1.3655(4) 0.019(2) Uani 1 1 d U . .
H49 H 0.0011 0.2597 1.4065 0.022 Uiso 1 1 calc R . .
C50 C -0.2001(7) 0.2530(3) 1.3636(5) 0.023(2) Uani 1 1 d U . .
H50 H -0.2046 0.2573 1.4044 0.027 Uiso 1 1 calc R . .
C51 C 0.2103(7) 0.3806(3) 1.2235(5) 0.018(2) Uani 1 1 d U . .
H51 H 0.2156 0.3860 1.1831 0.022 Uiso 1 1 calc R . .
C52 C 0.0842(8) 0.3806(3) 1.2210(5) 0.020(2) Uani 1 1 d U . .
H52 H 0.0070 0.3854 1.1795 0.024 Uiso 1 1 calc R . .
C53 C 0.0741(7) 0.3735(3) 1.2812(5) 0.016(2) Uani 1 1 d U . .
C54 C 0.1951(7) 0.3671(3) 1.3422(4) 0.016(2) Uani 1 1 d U . .
H54 H 0.1938 0.3632 1.3838 0.019 Uiso 1 1 calc R . .
C55 C 0.3168(8) 0.3668(3) 1.3396(5) 0.021(2) Uani 1 1 d U . .
H55 H 0.3962 0.3619 1.3800 0.025 Uiso 1 1 calc R . .
C56 C -0.2985(8) 0.3581(3) 1.2252(5) 0.023(2) Uani 1 1 d U . .
H56 H -0.3765 0.3508 1.1852 0.027 Uiso 1 1 calc R . .
C57 C -0.1756(8) 0.3597(3) 1.2230(5) 0.025(2) Uani 1 1 d U . .
H57 H -0.1714 0.3526 1.1828 0.030 Uiso 1 1 calc R . .
C58 C -0.0593(7) 0.3722(3) 1.2826(5) 0.016(2) Uani 1 1 d U . .
C59 C -0.0713(8) 0.3814(3) 1.3407(5) 0.021(2) Uani 1 1 d U . .
H59 H 0.0045 0.3888 1.3816 0.025 Uiso 1 1 calc R . .
C60 C -0.1983(8) 0.3794(3) 1.3380(5) 0.021(2) Uani 1 1 d U . .
H60 H -0.2054 0.3876 1.3771 0.025 Uiso 1 1 calc R . .
C18 C -0.0646(3) 0.12208(12) 0.1859(2) 0.049(5) Uani 0.522(9) 1 d PDU A 1
H18A H -0.1182 0.0946 0.1671 0.074 Uiso 0.522(9) 1 d PR A 1
H18B H 0.0115 0.1215 0.1770 0.074 Uiso 0.522(9) 1 d PR A 1
H18C H -0.1182 0.1493 0.1650 0.074 Uiso 0.522(9) 1 d PR A 1
C18A C -0.1732(3) 0.11715(12) 0.1583(2) 0.049(5) Uani 0.478(9) 1 d PRDU A 2
H18D H -0.2027 0.1475 0.1385 0.074 Uiso 0.478(9) 1 d PR A 2
H18E H -0.2498 0.0968 0.1438 0.074 Uiso 0.478(9) 1 d PR A 2
H18F H -0.1117 0.1047 0.1434 0.074 Uiso 0.478(9) 1 d PR A 2
C11A C 0.2700(3) 0.11155(12) 0.3729(2) 0.0538(7) Uani 0.478(9) 1 d PRDU A 2
H11D H 0.2932 0.0863 0.3517 0.081 Uiso 0.478(9) 1 calc PR A 2
H11E H 0.2958 0.1037 0.4199 0.081 Uiso 0.478(9) 1 calc PR A 2
H11F H 0.3164 0.1393 0.3714 0.081 Uiso 0.478(9) 1 calc PR A 2
Cl3 Cl 0.5100(9) 0.4799(3) 0.0151(5) 0.105(4) Uani 0.50 1 d PDU . .
O19 O 0.540(6) 0.4810(9) -0.040(2) 0.153(19) Uani 0.50 1 d PDU . .
O18 O 0.3744(14) 0.4938(18) -0.020(5) 0.178(3) Uani 0.50 1 d PDU . .
O20 O 0.555(3) 0.4369(6) 0.0543(13) 0.175(13) Uani 0.50 1 d PDU . .
O17 O 0.572(11) 0.5179(8) 0.0588(10) 0.184(3) Uani 0.50 1 d PDU . .
O22 O 0.5817(3) -0.01394(12) -0.0317(2) 0.036(4) Uani 0.50 1 d PRU . .
O23 O 0.5806(3) -0.03937(12) 0.0436(2) 0.050(4) Uani 0.50 1 d PRDU . .
O21 O 0.5833(3) 0.02447(12) 0.0632(2) 0.082(5) Uani 0.50 1 d PRDU . .
O24 O 0.5891(3) 0.03382(12) -0.0020(2) 0.096(6) Uani 0.50 1 d PRU . .
O12 O 0.7579(3) 0.32380(12) 0.4741(2) 0.045(2) Uani 1 1 d RU . .
H12A H 0.7498 0.3046 0.5058 0.054 Uiso 1 1 d R . .
H12B H 0.6634 0.3252 0.4312 0.054 Uiso 1 1 d R . .
C12A C 0.1172(8) 0.1200(7) 0.3342(7) 0.0534(4) Uani 0.438(10) 1 d PGDU A 2
C13A C 0.0594(13) 0.1257(8) 0.3776(4) 0.0530(4) Uani 0.438(10) 1 d PGDU A 2
H13A H 0.1139 0.1272 0.4249 0.064 Uiso 0.438(10) 1 calc PR A 2
C14A C -0.0798(14) 0.1290(9) 0.3503(6) 0.0516(10) Uani 0.438(10) 1 d PGDU A 2
C15A C -0.1613(8) 0.1268(7) 0.2796(7) 0.052(4) Uani 0.438(10) 1 d PGDU A 2
H15A H -0.2544 0.1290 0.2614 0.062 Uiso 0.438(10) 1 calc PR A 2
C16A C -0.1035(12) 0.1211(6) 0.2362(4) 0.034(4) Uani 0.438(10) 1 d PGDU A 2
C17A C 0.0357(13) 0.1177(7) 0.2635(6) 0.0534(4) Uani 0.438(10) 1 d PGDU A 2
H17A H 0.0743 0.1139 0.2345 0.064 Uiso 0.438(10) 1 calc PR A 2
O11 O -0.2289(7) -0.0330(2) 0.4424(4) 0.045(2) Uani 1 1 d GU . .
H11G H -0.1982 -0.0604 0.4450 0.068 Uiso 1 1 d G . .
H11H H -0.2700 -0.0312 0.4665 0.068 Uiso 1 1 d G . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0000 0.0000 '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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 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'
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
O4 Cu1 Cu2 71.82(14) . .
O9 Cu1 Cu2 29.91(17) . .
O9 Cu1 O4 101.6(2) . .
O9 Cu1 N3 164.2(3) . 2_647
O9 Cu1 N5 92.1(2) . .
O9 Cu1 N6 89.9(2) . 1_655
N3 Cu1 Cu2 165.3(2) 2_647 .
N3 Cu1 O4 94.1(3) 2_647 .
N3 Cu1 N5 88.8(3) 2_647 .
N3 Cu1 N6 87.3(3) 2_647 1_655
N5 Cu1 Cu2 95.9(2) . .
N5 Cu1 O4 92.1(2) . .
N6 Cu1 Cu2 89.38(19) 1_655 .
N6 Cu1 O4 94.4(2) 1_655 .
N6 Cu1 N5 172.7(3) 1_655 .
O5 Cu2 Cu1 78.75(15) . .
O9 Cu2 Cu1 29.77(16) . .
O9 Cu2 O5 108.5(2) . .
O9 Cu2 N4 155.2(3) . .
O9 Cu2 N7 87.5(2) . .
O9 Cu2 N8 94.7(2) . 1_655
N4 Cu2 Cu1 174.1(2) . .
N4 Cu2 O5 96.0(2) . .
N4 Cu2 N7 87.8(3) . .
N4 Cu2 N8 88.6(3) . 1_655
N7 Cu2 Cu1 89.72(19) . .
N7 Cu2 O5 92.3(2) . .
N7 Cu2 N8 175.4(3) . 1_655
N8 Cu2 Cu1 94.14(19) 1_655 .
N8 Cu2 O5 90.9(2) 1_655 .
O1 Cu3 O1 180.0(4) . 3_557
O1 Cu3 O10 94.0(2) 3_557 3_557
O1 Cu3 O10 86.0(2) . 3_557
O1 Cu3 O10 94.0(2) . .
O1 Cu3 O10 86.0(2) 3_557 .
O10 Cu3 O10 180.0 . 3_557
N1 Cu3 O1 91.9(3) 3_557 .
N1 Cu3 O1 88.1(3) . .
N1 Cu3 O1 91.9(3) . 3_557
N1 Cu3 O1 88.1(3) 3_557 3_557
N1 Cu3 O10 91.4(2) . 3_557
N1 Cu3 O10 91.4(2) 3_557 .
N1 Cu3 O10 88.6(2) . .
N1 Cu3 O10 88.6(2) 3_557 3_557
N1 Cu3 N1 180.000(1) 3_557 .
O7 Cu4 O7 180.000(1) . 3_556
O7 Cu4 O11 92.5(2) 3_556 .
O7 Cu4 O11 87.5(2) . .
O7 Cu4 O11 92.5(2) . 3_556
O7 Cu4 O11 87.5(2) 3_556 3_556
N2 Cu4 O7 93.1(3) . .
N2 Cu4 O7 86.9(3) 3_556 .
N2 Cu4 O7 93.1(3) 3_556 3_556
N2 Cu4 O7 86.9(3) . 3_556
N2 Cu4 N2 180.000(1) . 3_556
N2 Cu4 O11 87.2(3) 3_556 .
N2 Cu4 O11 87.2(3) . 3_556
N2 Cu4 O11 92.8(3) 3_556 3_556
N2 Cu4 O11 92.8(3) . .
O11 Cu4 O11 180.0 3_556 .
O14 Cl1 O13 108.3(5) . .
O16 Cl1 O13 111.0(5) . .
O16 Cl1 O14 110.2(5) . .
O16 Cl1 O15 107.8(6) . .
O15 Cl1 O13 110.0(5) . .
O15 Cl1 O14 109.6(5) . .
O22 Cl2 O22 180.0(3) 3_655 .
O22 Cl2 O23 103.32(17) 3_655 .
O22 Cl2 O23 76.68(17) . .
O22 Cl2 O23 103.32(17) . 3_655
O22 Cl2 O23 76.68(17) 3_655 3_655
O22 Cl2 O21 70.9(2) 3_655 .
O22 Cl2 O21 109.1(2) . .
O22 Cl2 O21 70.9(2) . 3_655
O22 Cl2 O21 109.1(2) 3_655 3_655
O23 Cl2 O23 180.0(5) 3_655 .
O21 Cl2 O23 100.33(18) 3_655 .
O21 Cl2 O23 79.67(18) . .
O21 Cl2 O23 79.67(18) 3_655 3_655
O21 Cl2 O23 100.33(18) . 3_655
O21 Cl2 O21 180.0(4) . 3_655
O24 Cl2 O22 116.38(16) 3_655 .
O24 Cl2 O22 63.62(16) . .
O24 Cl2 O22 63.62(16) 3_655 3_655
O24 Cl2 O22 116.38(16) . 3_655
O24 Cl2 O23 71.5(2) 3_655 .
O24 Cl2 O23 108.5(2) . .
O24 Cl2 O23 71.5(2) . 3_655
O24 Cl2 O23 108.5(2) 3_655 3_655
O24 Cl2 O21 62.96(15) 3_655 3_655
O24 Cl2 O21 117.04(15) 3_655 .
O24 Cl2 O21 62.96(15) . .
O24 Cl2 O21 117.04(15) . 3_655
O24 Cl2 O24 180.0(4) . 3_655
C1 O1 Cu3 127.0(5) . .
C6 O3 C9 118.0(7) . .
C10 O4 Cu1 134.3(6) . .
C10 O5 Cu2 125.6(6) . .
C14 O6 C19 112.9(8) . .
C14A O6 C14 12.1(10) . .
C14A O6 C19 124.6(9) . .
C20 O7 Cu4 125.4(6) . .
Cu1 O9 Cu2 120.3(3) . .
Cu3 O10 H10A 106.8 . .
Cu3 O10 H10B 117.9 . .
H10A O10 H10B 110.7 . .
C21 N1 Cu3 119.2(5) . .
C25 N1 Cu3 122.7(5) . .
C25 N1 C21 118.1(8) . .
C26 N2 Cu4 120.9(6) . .
C30 N2 Cu4 120.6(6) . .
C30 N2 C26 118.5(8) . .
C31 N3 Cu1 122.5(6) . 2_657
C31 N3 C35 118.6(7) . .
C35 N3 Cu1 118.7(6) . 2_657
C36 N4 Cu2 123.4(6) . .
C36 N4 C40 117.6(7) . .
C40 N4 Cu2 118.7(6) . .
C41 N5 Cu1 120.9(6) . .
C45 N5 Cu1 122.9(5) . .
C45 N5 C41 116.1(7) . .
C46 N6 Cu1 119.0(5) . 1_455
C50 N6 Cu1 123.3(6) . 1_455
C50 N6 C46 117.6(7) . .
C51 N7 Cu2 121.0(6) . .
C51 N7 C55 118.7(7) . .
C55 N7 Cu2 120.1(6) . .
C56 N8 Cu2 120.1(5) . 1_455
C60 N8 Cu2 121.8(6) . 1_455
C60 N8 C56 117.7(7) . .
O1 C1 O2 126.3(8) . .
O1 C1 C2 117.1(7) . .
O2 C1 C2 116.5(8) . .
C3 C2 C1 119.5(8) . .
C7 C2 C1 121.7(8) . .
C7 C2 C3 118.7(9) . .
C2 C3 H3 120.0 . .
C4 C3 C2 120.1(9) . .
C4 C3 H3 120.0 . .
C3 C4 C5 117.4(8) . .
C3 C4 C8 119.7(8) . .
C5 C4 C8 122.9(8) . .
C4 C5 H5 118.4 . .
C6 C5 C4 123.1(9) . .
C6 C5 H5 118.4 . .
O3 C6 C7 113.3(8) . .
C5 C6 O3 126.9(9) . .
C5 C6 C7 119.7(9) . .
C2 C7 C6 120.9(9) . .
C2 C7 H7 119.5 . .
C6 C7 H7 119.5 . .
C4 C8 H8A 109.5 . .
C4 C8 H8B 109.5 . .
C4 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O3 C9 H9A 109.3 . .
O3 C9 H9B 109.3 . .
O3 C9 C10 111.7(8) . .
H9A C9 H9B 107.9 . .
C10 C9 H9A 109.3 . .
C10 C9 H9B 109.3 . .
O4 C10 O5 128.0(8) . .
O4 C10 C9 120.0(8) . .
O5 C10 C9 112.0(8) . .
C13 C12 C11 117.5(11) . .
C13 C12 C17 120.0 . .
C17 C12 C11 122.5(11) . .
C12 C13 H13 120.0 . .
C14 C13 C12 120.0 . .
C14 C13 H13 120.0 . .
O6 C14 C13 124.0(9) . .
O6 C14 C15 116.0(9) . .
C15 C14 C13 120.0 . .
C14 C15 H15 120.0 . .
C14 C15 C16 120.0 . .
C16 C15 H15 120.0 . .
C15 C16 C18 122.6(8) . .
C17 C16 C15 120.0 . .
C17 C16 C18 117.3(8) . .
C12 C17 H17 120.0 . .
C16 C17 C12 120.0 . .
C16 C17 H17 120.0 . .
O6 C19 H19A 108.8 . .
O6 C19 H19B 108.8 . .
O6 C19 C20 113.7(8) . .
H19A C19 H19B 107.7 . .
C20 C19 H19A 108.8 . .
C20 C19 H19B 108.8 . .
O7 C20 O8 125.8(9) . .
O7 C20 C19 117.1(8) . .
O8 C20 C19 117.1(9) . .
N1 C21 H21 119.2 . .
N1 C21 C22 121.6(8) . .
C22 C21 H21 119.2 . .
C21 C22 H22 119.4 . .
C21 C22 C23 121.2(8) . .
C23 C22 H22 119.4 . .
C22 C23 C24 117.5(9) . .
C22 C23 C28 120.9(7) . .
C24 C23 C28 121.6(7) . .
C23 C24 H24 120.6 . .
C25 C24 C23 118.8(8) . .
C25 C24 H24 120.6 . .
N1 C25 C24 122.8(8) . .
N1 C25 H25 118.6 . .
C24 C25 H25 118.6 . .
N2 C26 H26 119.0 . .
N2 C26 C27 122.1(8) . .
C27 C26 H26 119.0 . .
C26 C27 H27 120.0 . .
C28 C27 C26 120.0(8) . .
C28 C27 H27 120.0 . .
C27 C28 C23 120.6(7) . .
C27 C28 C29 118.1(9) . .
C29 C28 C23 121.3(7) . .
C28 C29 H29 120.9 . .
C30 C29 C28 118.2(8) . .
C30 C29 H29 120.9 . .
N2 C30 C29 122.9(8) . .
N2 C30 H30 118.5 . .
C29 C30 H30 118.5 . .
N3 C31 H31 118.5 . .
N3 C31 C32 123.1(9) . .
C32 C31 H31 118.5 . .
C31 C32 H32 121.3 . .
C33 C32 C31 117.4(9) . .
C33 C32 H32 121.3 . .
C32 C33 C38 119.0(8) . .
C34 C33 C32 119.5(8) . .
C34 C33 C38 121.4(8) . .
C33 C34 H34 120.7 . .
C33 C34 C35 118.6(9) . .
C35 C34 H34 120.7 . .
N3 C35 C34 122.7(9) . .
N3 C35 H35 118.6 . .
C34 C35 H35 118.6 . .
N4 C36 H36 118.4 . .
N4 C36 C37 123.3(9) . .
C37 C36 H36 118.4 . .
C36 C37 H37 119.8 . .
C38 C37 C36 120.4(9) . .
C38 C37 H37 119.8 . .
C37 C38 C33 122.3(8) . .
C37 C38 C39 117.0(8) . .
C39 C38 C33 120.7(9) . .
C38 C39 H39 120.0 . .
C38 C39 C40 120.1(9) . .
C40 C39 H39 120.0 . .
N4 C40 C39 121.6(9) . .
N4 C40 H40 119.2 . .
C39 C40 H40 119.2 . .
N5 C41 H41 118.1 . .
N5 C41 C42 123.8(9) . .
C42 C41 H41 118.1 . .
C41 C42 H42 119.6 . .
C43 C42 C41 120.7(8) . .
C43 C42 H42 119.6 . .
C42 C43 C44 117.2(7) . .
C42 C43 C48 122.0(7) . .
C44 C43 C48 120.8(8) . .
C43 C44 H44 121.1 . .
C45 C44 C43 117.9(8) . .
C45 C44 H44 121.1 . .
N5 C45 C44 124.2(8) . .
N5 C45 H45 117.9 . .
C44 C45 H45 117.9 . .
N6 C46 H46 119.7 . .
C47 C46 N6 120.5(8) . .
C47 C46 H46 119.7 . .
C46 C47 H47 119.0 . .
C46 C47 C48 122.0(9) . .
C48 C47 H47 119.0 . .
C47 C48 C43 120.6(8) . .
C47 C48 C49 117.8(7) . .
C49 C48 C43 121.5(7) . .
C48 C49 H49 120.3 . .
C50 C49 C48 119.5(8) . .
C50 C49 H49 120.3 . .
N6 C50 C49 122.7(8) . .
N6 C50 H50 118.7 . .
C49 C50 H50 118.7 . .
N7 C51 H51 118.6 . .
N7 C51 C52 122.8(9) . .
C52 C51 H51 118.6 . .
C51 C52 H52 120.2 . .
C51 C52 C53 119.5(8) . .
C53 C52 H52 120.2 . .
C52 C53 C54 117.2(7) . .
C52 C53 C58 122.8(7) . .
C54 C53 C58 120.0(8) . .
C53 C54 H54 120.3 . .
C55 C54 C53 119.3(8) . .
C55 C54 H54 120.3 . .
N7 C55 C54 122.5(8) . .
N7 C55 H55 118.8 . .
C54 C55 H55 118.8 . .
N8 C56 H56 118.7 . .
N8 C56 C57 122.7(8) . .
C57 C56 H56 118.7 . .
C56 C57 H57 120.7 . .
C58 C57 C56 118.5(9) . .
C58 C57 H57 120.7 . .
C57 C58 C53 119.0(8) . .
C59 C58 C53 122.9(8) . .
C59 C58 C57 118.0(8) . .
C58 C59 H59 120.2 . .
C58 C59 C60 119.5(8) . .
C60 C59 H59 120.2 . .
N8 C60 C59 123.4(9) . .
N8 C60 H60 118.3 . .
C59 C60 H60 118.3 . .
C16 C18 H18A 108.9 . .
C16 C18 H18B 110.4 . .
C16 C18 H18C 109.0 . .
C16 C18 H18F 146.8 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18A C18 H18F 38.1 . .
H18B C18 H18C 109.5 . .
H18B C18 H18F 86.0 . .
H18C C18 H18F 91.0 . .
H18A C18A H18C 108.0 . .
H18A C18A H18D 148.4 . .
H18A C18A H18E 93.2 . .
H18A C18A H18F 40.1 . .
H18C C18A H18D 48.9 . .
H18C C18A H18E 158.1 . .
H18C C18A H18F 84.7 . .
H18D C18A H18E 109.5 . .
H18D C18A H18F 109.4 . .
H18E C18A H18F 109.5 . .
C16A C18A H18A 82.1 . .
C16A C18A H18C 79.8 . .
C16A C18A H18D 109.4 . .
C16A C18A H18E 109.2 . .
C16A C18A H18F 109.8 . .
H11D C11A H11E 109.5 . .
H11D C11A H11F 109.5 . .
H11E C11A H11F 109.5 . .
C12A C11A H11D 109.5 . .
C12A C11A H11E 109.5 . .
C12A C11A H11F 109.5 . .
Cl3 Cl3 O19 60.9(6) 3_665 3_665
Cl3 Cl3 O19 65.7(6) 3_665 .
Cl3 Cl3 O18 65.3(6) 3_665 .
Cl3 Cl3 O18 61.0(7) 3_665 3_665
Cl3 Cl3 O20 171.0(15) 3_665 .
Cl3 Cl3 O17 61.1(10) 3_665 3_665
Cl3 Cl3 O17 64.9(7) 3_665 .
O19 Cl3 O19 126.7(9) . 3_665
O19 Cl3 O18 59(3) . 3_665
O19 Cl3 O20 112.1(12) . .
O19 Cl3 O17 47(4) . 3_665
O18 Cl3 O19 99(3) . .
O18 Cl3 O19 59(3) . 3_665
O18 Cl3 O19 94(3) 3_665 3_665
O18 Cl3 O18 126.3(9) . 3_665
O18 Cl3 O20 123.5(17) . .
O18 Cl3 O17 54(5) . 3_665
O20 Cl3 O19 120.6(13) . 3_665
O20 Cl3 O18 110.2(15) . 3_665
O17 Cl3 O19 46(4) . 3_665
O17 Cl3 O19 104(3) 3_665 3_665
O17 Cl3 O19 109(4) . .
O17 Cl3 O18 103(4) . .
O17 Cl3 O18 54(5) . 3_665
O17 Cl3 O18 98(4) 3_665 3_665
O17 Cl3 O20 109.1(13) . .
O17 Cl3 O20 124.4(12) 3_665 .
O17 Cl3 O17 126.1(10) . 3_665
Cl3 O19 Cl3 53.3(9) . 3_665
Cl3 O19 O18 62.1(18) . 3_665
O18 O19 Cl3 58.1(15) 3_665 3_665
O17 O19 Cl3 69(2) 3_665 .
O17 O19 Cl3 63.7(18) 3_665 3_665
O17 O19 O18 118(3) 3_665 3_665
Cl3 O18 Cl3 53.7(9) . 3_665
Cl3 O18 O19 62.9(17) . 3_665
O19 O18 Cl3 58.7(15) 3_665 3_665
O17 O18 Cl3 61(3) 3_665 3_665
O17 O18 Cl3 65(3) 3_665 .
O17 O18 O19 115(3) 3_665 3_665
Cl3 O17 Cl3 53.9(10) . 3_665
O19 O17 Cl3 65(2) 3_665 3_665
O19 O17 Cl3 70(3) 3_665 .
O19 O17 O18 123(2) 3_665 3_665
O18 O17 Cl3 65(3) 3_665 .
O18 O17 Cl3 61(2) 3_665 3_665
Cl2 O22 O23 52.70(14) . .
Cl2 O22 O21 54.6(2) . 3_655
Cl2 O22 O24 57.03(14) . .
O21 O22 O23 80.2(3) 3_655 .
O24 O22 O23 89.5 . .
O24 O22 O21 99.8(2) . 3_655
Cl2 O23 O22 50.62(15) . .
Cl2 O23 O24 52.09(19) . 3_655
O24 O23 O22 87.2(3) 3_655 .
Cl2 O21 O22 54.5(2) . 3_655
Cl2 O21 O24 57.29(16) . .
O24 O21 O22 99.8(3) . 3_655
Cl2 O24 O22 59.35(15) . .
Cl2 O24 O23 56.4(2) . 3_655
Cl2 O24 O21 59.75(16) . .
O22 O24 O23 91.7(2) . 3_655
O21 O24 O22 103.7 . .
O21 O24 O23 89.8(3) . 3_655
H12A O12 H12B 106.8 . .
C13A C12A C11A 113.1(10) . .
C13A C12A C17A 120.0 . .
C17A C12A C11A 126.5(10) . .
C12A C13A H13A 120.0 . .
C14A C13A C12A 120.0 . .
C14A C13A H13A 120.0 . .
O6 C14A C13A 127.2(11) . .
O6 C14A C15A 112.7(11) . .
C13A C14A C15A 120.0 . .
C14A C15A H15A 120.0 . .
C16A C15A C14A 120.0 . .
C16A C15A H15A 120.0 . .
C15A C16A C18A 128.6(10) . .
C15A C16A C17A 120.0 . .
C17A C16A C18A 111.4(10) . .
C12A C17A H17A 120.0 . .
C16A C17A C12A 120.0 . .
C16A C17A H17A 120.0 . .
Cu4 O11 H11G 91.6 . .
Cu4 O11 H11H 113.2 . .
H11G O11 H11H 109.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 Cu2 3.3573(15) .
Cu1 O4 2.214(6) .
Cu1 O9 1.931(5) .
Cu1 N3 2.037(7) 2_647
Cu1 N5 2.049(6) .
Cu1 N6 2.042(6) 1_655
Cu2 O5 2.158(6) .
Cu2 O9 1.940(5) .
Cu2 N4 2.035(7) .
Cu2 N7 2.054(6) .
Cu2 N8 2.057(6) 1_655
Cu3 O1 1.994(5) .
Cu3 O1 1.994(5) 3_557
Cu3 O10 2.481(6) .
Cu3 O10 2.481(6) 3_557
Cu3 N1 1.981(7) 3_557
Cu3 N1 1.981(7) .
Cu4 O7 1.985(6) .
Cu4 O7 1.985(6) 3_556
Cu4 N2 1.982(8) .
Cu4 N2 1.982(8) 3_556
Cu4 O11 2.459(7) .
Cu4 O11 2.459(7) 3_556
Cl1 O13 1.476(8) .
Cl1 O14 1.451(8) .
Cl1 O16 1.424(8) .
Cl1 O15 1.436(9) .
Cl2 O22 1.442(4) 3_655
Cl2 O22 1.442(4) .
Cl2 O23 1.484(3) .
Cl2 O23 1.484(3) 3_655
Cl2 O21 1.444(4) 3_655
Cl2 O21 1.444(4) .
Cl2 O24 1.406(4) 3_655
Cl2 O24 1.406(4) .
O1 C1 1.239(9) .
O2 C1 1.246(9) .
O3 C6 1.379(10) .
O3 C9 1.443(10) .
O4 C10 1.237(9) .
O5 C10 1.265(9) .
O6 C14 1.364(7) .
O6 C19 1.416(11) .
O6 C14A 1.346(8) .
O7 C20 1.252(10) .
O8 C20 1.261(10) .
O10 H10A 0.8472 .
O10 H10B 0.8504 .
N1 C21 1.347(9) .
N1 C25 1.347(10) .
N2 C26 1.338(10) .
N2 C30 1.335(10) .
N3 Cu1 2.037(6) 2_657
N3 C31 1.331(10) .
N3 C35 1.334(10) .
N4 C36 1.321(11) .
N4 C40 1.353(10) .
N5 C41 1.350(10) .
N5 C45 1.319(11) .
N6 Cu1 2.042(6) 1_455
N6 C46 1.376(11) .
N6 C50 1.355(9) .
N7 C51 1.331(9) .
N7 C55 1.335(11) .
N8 Cu2 2.057(6) 1_455
N8 C56 1.349(11) .
N8 C60 1.315(9) .
C1 C2 1.533(12) .
C2 C3 1.434(12) .
C2 C7 1.367(12) .
C3 H3 0.9300 .
C3 C4 1.399(12) .
C4 C5 1.404(12) .
C4 C8 1.509(12) .
C5 H5 0.9300 .
C5 C6 1.329(11) .
C6 C7 1.400(12) .
C7 H7 0.9300 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9 C10 1.550(12) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C11 C12 1.562(9) .
C12 C13 1.3900 .
C12 C17 1.3900 .
C13 H13 0.9300 .
C13 C14 1.3900 .
C14 C15 1.3900 .
C15 H15 0.9300 .
C15 C16 1.3900 .
C16 C17 1.3900 .
C16 C18 1.548(7) .
C17 H17 0.9300 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C19 C20 1.508(12) .
C21 H21 0.9300 .
C21 C22 1.372(11) .
C22 H22 0.9300 .
C22 C23 1.372(11) .
C23 C24 1.401(11) .
C23 C28 1.473(11) .
C24 H24 0.9300 .
C24 C25 1.381(11) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C26 C27 1.383(12) .
C27 H27 0.9300 .
C27 C28 1.371(10) .
C28 C29 1.411(11) .
C29 H29 0.9300 .
C29 C30 1.387(12) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C31 C32 1.415(11) .
C32 H32 0.9300 .
C32 C33 1.403(11) .
C33 C34 1.376(11) .
C33 C38 1.486(11) .
C34 H34 0.9300 .
C34 C35 1.411(11) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C36 C37 1.381(10) .
C37 H37 0.9300 .
C37 C38 1.375(11) .
C38 C39 1.381(12) .
C39 H39 0.9300 .
C39 C40 1.402(11) .
C40 H40 0.9300 .
C41 H41 0.9300 .
C41 C42 1.365(10) .
C42 H42 0.9300 .
C42 C43 1.358(12) .
C43 C44 1.414(11) .
C43 C48 1.536(10) .
C44 H44 0.9300 .
C44 C45 1.404(11) .
C45 H45 0.9300 .
C46 H46 0.9300 .
C46 C47 1.358(10) .
C47 H47 0.9300 .
C47 C48 1.369(10) .
C48 C49 1.381(11) .
C49 H49 0.9300 .
C49 C50 1.370(10) .
C50 H50 0.9300 .
C51 H51 0.9300 .
C51 C52 1.388(10) .
C52 H52 0.9300 .
C52 C53 1.396(12) .
C53 C54 1.405(10) .
C53 C58 1.511(10) .
C54 H54 0.9300 .
C54 C55 1.392(10) .
C55 H55 0.9300 .
C56 H56 0.9300 .
C56 C57 1.402(11) .
C57 H57 0.9300 .
C57 C58 1.399(11) .
C58 C59 1.371(12) .
C59 H59 0.9300 .
C59 C60 1.398(11) .
C60 H60 0.9300 .
C18 H18A 0.9599 .
C18 H18B 0.9601 .
C18 H18C 0.9601 .
C18 H18F 0.9706 .
C18A H18A 0.8510 .
C18A H18C 1.0795 .
C18A H18D 0.9602 .
C18A H18E 0.9599 .
C18A H18F 0.9601 .
C18A C16A 1.521(8) .
C11A H11D 0.9600 .
C11A H11E 0.9600 .
C11A H11F 0.9600 .
C11A C12A 1.535(7) .
Cl3 Cl3 1.294(18) 3_665
Cl3 O19 1.410(10) .
Cl3 O19 1.471(7) 3_665
Cl3 O18 1.404(10) .
Cl3 O18 1.459(7) 3_665
Cl3 O20 1.453(8) .
Cl3 O17 1.402(18) .
Cl3 O17 1.450(7) 3_665
O19 Cl3 1.471(7) 3_665
O19 O18 1.42(7) 3_665
O19 O17 1.13(10) 3_665
O18 Cl3 1.459(7) 3_665
O18 O19 1.42(7) 3_665
O18 O17 1.30(11) 3_665
O17 Cl3 1.450(7) 3_665
O17 O19 1.13(10) 3_665
O17 O18 1.30(11) 3_665
O22 O23 1.8153 .
O22 O21 1.673(7) 3_655
O22 O24 1.5017 .
O23 O24 1.691(7) 3_655
O21 O22 1.673(7) 3_655
O21 O24 1.4885 .
O24 O23 1.691(7) 3_655
O12 H12A 0.9265 .
O12 H12B 1.0404 .
C12A C13A 1.3900 .
C12A C17A 1.3900 .
C13A H13A 0.9300 .
C13A C14A 1.3900 .
C14A C15A 1.3900 .
C15A H15A 0.9300 .
C15A C16A 1.3900 .
C16A C17A 1.3900 .
C17A H17A 0.9300 .
O11 H11G 0.8504 .
O11 H11H 0.8504 .
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
Cu1 Cu2 O5 C10 10.8(6) . .
Cu1 Cu2 N4 C36 -56(2) . .
Cu1 Cu2 N4 C40 129.2(18) . .
Cu1 Cu2 N7 C51 -104.0(6) . .
Cu1 Cu2 N7 C55 71.6(7) . .
Cu1 O4 C10 O5 11.7(13) . .
Cu1 O4 C10 C9 -169.5(5) . .
Cu1 N3 C31 C32 173.5(6) 2_657 .
Cu1 N3 C35 C34 -173.0(6) 2_657 .
Cu1 N5 C41 C42 179.1(7) . .
Cu1 N5 C45 C44 -177.5(7) . .
Cu1 N6 C46 C47 175.7(6) 1_455 .
Cu1 N6 C50 C49 -174.0(7) 1_455 .
Cu2 Cu1 O4 C10 -1.9(7) . .
Cu2 Cu1 N5 C41 79.4(7) . .
Cu2 Cu1 N5 C45 -102.2(7) . .
Cu2 O5 C10 O4 -17.0(12) . .
Cu2 O5 C10 C9 164.1(5) . .
Cu2 N4 C36 C37 -173.8(5) . .
Cu2 N4 C40 C39 173.2(5) . .
Cu2 N7 C51 C52 174.0(6) . .
Cu2 N7 C55 C54 -175.3(6) . .
Cu2 N8 C56 C57 176.3(6) 1_455 .
Cu2 N8 C60 C59 -177.0(6) 1_455 .
Cu3 O1 C1 O2 11.8(15) . .
Cu3 O1 C1 C2 -171.5(6) . .
Cu3 N1 C21 C22 177.3(6) . .
Cu3 N1 C25 C24 -178.4(7) . .
Cu4 O7 C20 O8 -18.6(14) . .
Cu4 O7 C20 C19 163.6(6) . .
Cu4 N2 C26 C27 -174.7(7) . .
Cu4 N2 C30 C29 174.5(7) . .
Cl2 O22 O23 O24 40.86(15) . 3_655
Cl2 O22 O24 O23 -48.53(19) . 3_655
Cl2 O22 O24 O21 41.66(17) . .
Cl2 O21 O24 O22 -41.45(16) . .
Cl2 O21 O24 O23 50.28(18) . 3_655
O1 Cu3 O1 C1 138(100) 3_557 .
O1 Cu3 N1 C21 43.7(6) . .
O1 Cu3 N1 C21 -136.3(6) 3_557 .
O1 Cu3 N1 C25 -138.2(6) . .
O1 Cu3 N1 C25 41.8(6) 3_557 .
O1 C1 C2 C3 6.4(14) . .
O1 C1 C2 C7 -175.8(9) . .
O2 C1 C2 C3 -176.6(9) . .
O2 C1 C2 C7 1.2(14) . .
O3 C6 C7 C2 -179.6(9) . .
O3 C9 C10 O4 25.9(11) . .
O3 C9 C10 O5 -155.1(7) . .
O4 Cu1 Cu2 O5 -3.52(19) . .
O4 Cu1 Cu2 O9 174.3(3) . .
O4 Cu1 Cu2 N4 24.0(19) . .
O4 Cu1 Cu2 N7 88.9(3) . .
O4 Cu1 Cu2 N8 -93.6(2) . 1_655
O4 Cu1 O9 Cu2 -5.6(3) . .
O4 Cu1 N5 C41 7.5(7) . .
O4 Cu1 N5 C45 -174.2(7) . .
O5 Cu2 O9 Cu1 2.3(3) . .
O5 Cu2 N4 C36 -29.3(6) . .
O5 Cu2 N4 C40 156.3(5) . .
O5 Cu2 N7 C51 -25.3(6) . .
O5 Cu2 N7 C55 150.4(7) . .
O6 C14 C15 C16 179.6(16) . .
O6 C19 C20 O7 -32.5(12) . .
O6 C19 C20 O8 149.4(8) . .
O6 C14A C15A C16A 176(2) . .
O7 Cu4 O7 C20 -132(100) 3_556 .
O7 Cu4 N2 C26 44.0(6) 3_556 .
O7 Cu4 N2 C26 -136.0(6) . .
O7 Cu4 N2 C30 -135.2(6) 3_556 .
O7 Cu4 N2 C30 44.8(6) . .
O9 Cu1 Cu2 O5 -177.8(3) . .
O9 Cu1 Cu2 N4 -150.3(19) . .
O9 Cu1 Cu2 N7 -85.4(3) . .
O9 Cu1 Cu2 N8 92.2(3) . 1_655
O9 Cu1 O4 C10 1.0(7) . .
O9 Cu1 N5 C41 109.2(7) . .
O9 Cu1 N5 C45 -72.5(8) . .
O9 Cu2 O5 C10 9.6(6) . .
O9 Cu2 N4 C36 159.6(6) . .
O9 Cu2 N4 C40 -14.8(9) . .
O9 Cu2 N7 C51 -133.7(6) . .
O9 Cu2 N7 C55 42.0(7) . .
O10 Cu3 O1 C1 15.5(8) . .
O10 Cu3 O1 C1 -164.5(8) 3_557 .
O10 Cu3 N1 C21 -42.3(6) 3_557 .
O10 Cu3 N1 C21 137.7(6) . .
O10 Cu3 N1 C25 -44.2(6) . .
O10 Cu3 N1 C25 135.8(6) 3_557 .
N1 Cu3 O1 C1 -76.0(8) 3_557 .
N1 Cu3 O1 C1 104.0(8) . .
N1 Cu3 N1 C21 -129(100) 3_557 .
N1 Cu3 N1 C25 49(100) 3_557 .
N1 C21 C22 C23 1.6(13) . .
N2 Cu4 O7 C20 -113.0(8) 3_556 .
N2 Cu4 O7 C20 67.0(8) . .
N2 Cu4 N2 C26 72(100) 3_556 .
N2 Cu4 N2 C30 -108(100) 3_556 .
N2 C26 C27 C28 -2.5(13) . .
N3 Cu1 Cu2 O5 14.2(7) 2_647 .
N3 Cu1 Cu2 O9 -168.0(7) 2_647 .
N3 Cu1 Cu2 N4 42(2) 2_647 .
N3 Cu1 Cu2 N7 106.6(7) 2_647 .
N3 Cu1 Cu2 N8 -75.9(7) 2_647 1_655
N3 Cu1 O4 C10 -177.5(7) 2_647 .
N3 Cu1 O9 Cu2 168.9(7) 2_647 .
N3 Cu1 N5 C41 -86.6(7) 2_647 .
N3 Cu1 N5 C45 91.7(8) 2_647 .
N3 C31 C32 C33 -1.4(13) . .
N4 Cu2 O5 C10 -166.5(6) . .
N4 Cu2 O9 Cu1 173.0(4) . .
N4 Cu2 N7 C51 70.6(6) . .
N4 Cu2 N7 C55 -113.7(7) . .
N4 C36 C37 C38 1.2(12) . .
N5 Cu1 Cu2 O5 -93.8(2) . .
N5 Cu1 Cu2 O9 84.0(3) . .
N5 Cu1 Cu2 N4 -66.4(19) . .
N5 Cu1 Cu2 N7 -1.4(3) . .
N5 Cu1 Cu2 N8 176.1(3) . 1_655
N5 Cu1 O4 C10 93.6(7) . .
N5 Cu1 O9 Cu2 -98.2(3) . .
N5 C41 C42 C43 -1.6(15) . .
N6 Cu1 Cu2 O5 91.3(2) 1_655 .
N6 Cu1 Cu2 O9 -91.0(3) 1_655 .
N6 Cu1 Cu2 N4 118.7(19) 1_655 .
N6 Cu1 Cu2 N7 -176.3(3) 1_655 .
N6 Cu1 Cu2 N8 1.2(3) 1_655 1_655
N6 Cu1 O4 C10 -89.8(7) 1_655 .
N6 Cu1 O9 Cu2 88.9(3) 1_655 .
N6 Cu1 N5 C41 -145(2) 1_655 .
N6 Cu1 N5 C45 34(3) 1_655 .
N6 C46 C47 C48 -0.4(13) . .
N7 Cu2 O5 C10 -78.5(6) . .
N7 Cu2 O9 Cu1 93.9(3) . .
N7 Cu2 N4 C36 -121.4(6) . .
N7 Cu2 N4 C40 64.2(6) . .
N7 C51 C52 C53 1.1(13) . .
N8 Cu2 O5 C10 104.8(6) 1_655 .
N8 Cu2 O9 Cu1 -90.2(3) 1_655 .
N8 Cu2 N4 C36 61.5(6) 1_655 .
N8 Cu2 N4 C40 -113.0(6) 1_655 .
N8 Cu2 N7 C51 109(4) 1_655 .
N8 Cu2 N7 C55 -76(4) 1_655 .
N8 C56 C57 C58 -2.3(14) . .
C1 C2 C3 C4 178.9(9) . .
C1 C2 C7 C6 -179.4(9) . .
C2 C3 C4 C5 0.2(15) . .
C2 C3 C4 C8 178.5(9) . .
C3 C2 C7 C6 -1.5(15) . .
C3 C4 C5 C6 -1.0(16) . .
C4 C5 C6 O3 -179.0(10) . .
C4 C5 C6 C7 0.5(16) . .
C5 C6 C7 C2 0.8(16) . .
C6 O3 C9 C10 -81.4(10) . .
C7 C2 C3 C4 1.0(15) . .
C8 C4 C5 C6 -179.2(10) . .
C9 O3 C6 C5 -10.0(15) . .
C9 O3 C6 C7 170.4(8) . .
C11 C12 C13 C14 177.3(14) . .
C11 C12 C17 C16 -177.2(15) . .
C12 C13 C14 O6 -179.6(18) . .
C12 C13 C14 C15 0.0 . .
C13 C12 C17 C16 0.0 . .
C13 C14 C15 C16 0.0 . .
C14 O6 C19 C20 -71.4(13) . .
C14 O6 C14A C13A 13(7) . .
C14 O6 C14A C15A -162(9) . .
C14 C15 C16 C17 0.0 . .
C14 C15 C16 C18 -177.9(12) . .
C15 C16 C17 C12 0.0 . .
C17 C12 C13 C14 0.0 . .
C19 O6 C14 C13 4.7(16) . .
C19 O6 C14 C15 -174.9(8) . .
C19 O6 C14A C13A -2(2) . .
C19 O6 C14A C15A -176.9(9) . .
C21 N1 C25 C24 -0.3(12) . .
C21 C22 C23 C24 -0.9(12) . .
C21 C22 C23 C28 179.0(8) . .
C22 C23 C24 C25 -0.3(12) . .
C22 C23 C28 C27 34.4(12) . .
C22 C23 C28 C29 -145.2(8) . .
C23 C24 C25 N1 0.9(13) . .
C23 C28 C29 C30 179.1(8) . .
C24 C23 C28 C27 -145.7(8) . .
C24 C23 C28 C29 34.7(13) . .
C25 N1 C21 C22 -1.0(12) . .
C26 N2 C30 C29 -4.8(13) . .
C26 C27 C28 C23 -179.2(8) . .
C26 C27 C28 C29 0.4(12) . .
C27 C28 C29 C30 -0.5(12) . .
C28 C23 C24 C25 179.8(8) . .
C28 C29 C30 N2 2.8(13) . .
C30 N2 C26 C27 4.7(13) . .
C31 N3 C35 C34 2.1(12) . .
C31 C32 C33 C34 3.3(12) . .
C31 C32 C33 C38 -178.7(7) . .
C32 C33 C34 C35 -2.7(12) . .
C32 C33 C38 C37 -146.5(8) . .
C32 C33 C38 C39 35.8(11) . .
C33 C34 C35 N3 -0.1(12) . .
C33 C38 C39 C40 179.0(7) . .
C34 C33 C38 C37 31.5(12) . .
C34 C33 C38 C39 -146.2(8) . .
C35 N3 C31 C32 -1.3(12) . .
C36 N4 C40 C39 -1.6(11) . .
C36 C37 C38 C33 -179.8(7) . .
C36 C37 C38 C39 -2.1(12) . .
C37 C38 C39 C40 1.2(12) . .
C38 C33 C34 C35 179.4(7) . .
C38 C39 C40 N4 0.7(12) . .
C40 N4 C36 C37 0.7(12) . .
C41 N5 C45 C44 0.9(14) . .
C41 C42 C43 C44 1.0(14) . .
C41 C42 C43 C48 -179.6(8) . .
C42 C43 C44 C45 0.4(13) . .
C42 C43 C48 C47 15.7(14) . .
C42 C43 C48 C49 -161.1(10) . .
C43 C44 C45 N5 -1.4(14) . .
C43 C48 C49 C50 178.5(8) . .
C44 C43 C48 C47 -164.9(8) . .
C44 C43 C48 C49 18.3(14) . .
C45 N5 C41 C42 0.7(14) . .
C46 N6 C50 C49 2.1(13) . .
C46 C47 C48 C43 -177.1(8) . .
C46 C47 C48 C49 -0.2(13) . .
C47 C48 C49 C50 1.6(14) . .
C48 C43 C44 C45 -179.0(8) . .
C48 C49 C50 N6 -2.6(14) . .
C50 N6 C46 C47 -0.6(12) . .
C51 N7 C55 C54 0.4(13) . .
C51 C52 C53 C54 0.8(13) . .
C51 C52 C53 C58 -179.1(8) . .
C52 C53 C54 C55 -2.0(13) . .
C52 C53 C58 C57 25.6(13) . .
C52 C53 C58 C59 -156.7(9) . .
C53 C54 C55 N7 1.5(14) . .
C53 C58 C59 C60 -179.8(8) . .
C54 C53 C58 C57 -154.3(8) . .
C54 C53 C58 C59 23.4(13) . .
C55 N7 C51 C52 -1.7(13) . .
C56 N8 C60 C59 -4.7(13) . .
C56 C57 C58 C53 179.2(8) . .
C56 C57 C58 C59 1.3(13) . .
C57 C58 C59 C60 -2.1(13) . .
C58 C53 C54 C55 177.9(8) . .
C58 C59 C60 N8 3.9(13) . .
C60 N8 C56 C57 3.9(13) . .
C18 C16 C17 C12 178.0(11) . .
C18A C16A C17A C12A -179.3(14) . .
C11A C12A C13A C14A -173.8(15) . .
C11A C12A C17A C16A 172.9(17) . .
Cl3 Cl3 O19 O18 69.5(10) 3_665 3_665
Cl3 Cl3 O19 O17 -72.4(12) 3_665 3_665
Cl3 Cl3 O18 O19 -69.7(10) 3_665 3_665
Cl3 Cl3 O18 O17 71.2(18) 3_665 3_665
Cl3 Cl3 O17 O19 72.9(11) 3_665 3_665
Cl3 Cl3 O17 O18 -71.2(15) 3_665 3_665
O19 Cl3 O19 Cl3 0.000(4) 3_665 3_665
O19 Cl3 O19 O18 69.5(10) 3_665 3_665
O19 Cl3 O19 O17 -72.4(12) 3_665 3_665
O19 Cl3 O18 Cl3 69.7(10) 3_665 3_665
O19 Cl3 O18 Cl3 -58.0(19) . 3_665
O19 Cl3 O18 O19 -127.7(13) . 3_665
O19 Cl3 O18 O17 13(2) . 3_665
O19 Cl3 O18 O17 140.8(19) 3_665 3_665
O19 Cl3 O17 Cl3 -72.9(11) 3_665 3_665
O19 Cl3 O17 Cl3 50(3) . 3_665
O19 Cl3 O17 O19 123(3) . 3_665
O19 Cl3 O17 O18 -21(2) . 3_665
O19 Cl3 O17 O18 -144.1(16) 3_665 3_665
O18 Cl3 O19 Cl3 57.7(19) . 3_665
O18 Cl3 O19 Cl3 -69.5(10) 3_665 3_665
O18 Cl3 O19 O18 127.2(12) . 3_665
O18 Cl3 O19 O17 -15(2) . 3_665
O18 Cl3 O19 O17 -141.9(16) 3_665 3_665
O18 Cl3 O18 Cl3 0.000(9) 3_665 3_665
O18 Cl3 O18 O19 -69.7(10) 3_665 3_665
O18 Cl3 O18 O17 71.2(18) 3_665 3_665
O18 Cl3 O17 Cl3 -55(3) . 3_665
O18 Cl3 O17 Cl3 71.2(15) 3_665 3_665
O18 Cl3 O17 O19 18(3) . 3_665
O18 Cl3 O17 O19 144.1(16) 3_665 3_665
O18 Cl3 O17 O18 -125.8(19) . 3_665
O20 Cl3 O19 Cl3 -170.5(16) . 3_665
O20 Cl3 O19 O18 -101.0(18) . 3_665
O20 Cl3 O19 O17 117.1(15) . 3_665
O20 Cl3 O18 Cl3 178.0(17) . 3_665
O20 Cl3 O18 O19 108(2) . 3_665
O20 Cl3 O18 O17 -111(2) . 3_665
O20 Cl3 O17 Cl3 172.7(16) . 3_665
O20 Cl3 O17 O19 -114.4(15) . 3_665
O20 Cl3 O17 O18 101.5(19) . 3_665
O17 Cl3 O19 Cl3 -49(3) . 3_665
O17 Cl3 O19 Cl3 72.4(12) 3_665 3_665
O17 Cl3 O19 O18 141.9(16) 3_665 3_665
O17 Cl3 O19 O18 20(3) . 3_665
O17 Cl3 O19 O17 -122(3) . 3_665
O17 Cl3 O18 Cl3 -71.2(18) 3_665 3_665
O17 Cl3 O18 Cl3 54(3) . 3_665
O17 Cl3 O18 O19 -140.8(19) 3_665 3_665
O17 Cl3 O18 O19 -15(3) . 3_665
O17 Cl3 O18 O17 125.5(19) . 3_665
O17 Cl3 O17 Cl3 0.000(2) 3_665 3_665
O17 Cl3 O17 O19 72.9(11) 3_665 3_665
O17 Cl3 O17 O18 -71.2(15) 3_665 3_665
O22 Cl2 O22 O23 -99(27) 3_655 .
O22 Cl2 O22 O21 7(27) 3_655 3_655
O22 Cl2 O22 O24 142(27) 3_655 .
O22 Cl2 O23 O22 180.0 3_655 .
O22 Cl2 O23 O24 -124.08(18) . 3_655
O22 Cl2 O23 O24 55.92(18) 3_655 3_655
O22 Cl2 O21 O22 180.0 . 3_655
O22 Cl2 O21 O24 -134.84(16) 3_655 .
O22 Cl2 O21 O24 45.16(16) . .
O22 Cl2 O24 O22 180.0 3_655 .
O22 Cl2 O24 O23 -64.11(18) 3_655 3_655
O22 Cl2 O24 O23 115.89(18) . 3_655
O22 Cl2 O24 O21 -131.61(15) . .
O22 Cl2 O24 O21 48.39(15) 3_655 .
O22 O21 O24 Cl2 -35.87(15) 3_655 .
O22 O21 O24 O22 -77.3(2) 3_655 .
O22 O21 O24 O23 14.42(6) 3_655 3_655
O23 Cl2 O22 O23 180.0 3_655 .
O23 Cl2 O22 O21 106.1(2) . 3_655
O23 Cl2 O22 O21 -73.9(2) 3_655 3_655
O23 Cl2 O22 O24 -118.72(17) . .
O23 Cl2 O22 O24 61.28(17) 3_655 .
O23 Cl2 O23 O22 49(2) 3_655 .
O23 Cl2 O23 O24 -75(2) 3_655 3_655
O23 Cl2 O21 O22 71.87(19) 3_655 3_655
O23 Cl2 O21 O22 -108.13(19) . 3_655
O23 Cl2 O21 O24 117.02(18) . .
O23 Cl2 O21 O24 -62.98(18) 3_655 .
O23 Cl2 O24 O22 -115.89(18) 3_655 .
O23 Cl2 O24 O22 64.11(18) . .
O23 Cl2 O24 O23 180.0 . 3_655
O23 Cl2 O24 O21 -67.50(19) . .
O23 Cl2 O24 O21 112.50(19) 3_655 .
O23 O22 O24 Cl2 -44.24(17) . .
O23 O22 O24 O23 -92.8(3) . 3_655
O23 O22 O24 O21 -2.6 . .
O21 Cl2 O22 O23 73.9(2) . .
O21 Cl2 O22 O23 -106.1(2) 3_655 .
O21 Cl2 O22 O21 180.0 . 3_655
O21 Cl2 O22 O24 -44.82(15) . .
O21 Cl2 O22 O24 135.18(15) 3_655 .
O21 Cl2 O23 O22 -112.69(19) . .
O21 Cl2 O23 O22 67.31(19) 3_655 .
O21 Cl2 O23 O24 123.23(17) . 3_655
O21 Cl2 O23 O24 -56.77(17) 3_655 3_655
O21 Cl2 O21 O22 -114(100) 3_655 3_655
O21 Cl2 O21 O24 112(100) 3_655 .
O21 Cl2 O24 O22 131.61(15) . .
O21 Cl2 O24 O22 -48.39(15) 3_655 .
O21 Cl2 O24 O23 -112.50(19) . 3_655
O21 Cl2 O24 O23 67.50(19) 3_655 3_655
O21 Cl2 O24 O21 180.0 3_655 .
O21 O22 O23 Cl2 -52.66(19) 3_655 .
O21 O22 O23 O24 -11.8 3_655 3_655
O21 O22 O24 Cl2 35.68(16) 3_655 .
O21 O22 O24 O23 -12.86(5) 3_655 3_655
O21 O22 O24 O21 77.3(3) 3_655 .
O24 Cl2 O22 O23 -61.28(17) 3_655 .
O24 Cl2 O22 O23 118.72(17) . .
O24 Cl2 O22 O21 -135.18(15) . 3_655
O24 Cl2 O22 O21 44.82(15) 3_655 3_655
O24 Cl2 O22 O24 180.0 3_655 .
O24 Cl2 O23 O22 124.08(18) 3_655 .
O24 Cl2 O23 O22 -55.92(18) . .
O24 Cl2 O23 O24 180.0 . 3_655
O24 Cl2 O21 O22 134.84(16) . 3_655
O24 Cl2 O21 O22 -45.16(16) 3_655 3_655
O24 Cl2 O21 O24 180.0 3_655 .
O24 Cl2 O24 O22 -29(91) 3_655 .
O24 Cl2 O24 O23 87(91) 3_655 3_655
O24 Cl2 O24 O21 -161(91) 3_655 .
O24 O22 O23 Cl2 47.37(18) . .
O24 O22 O23 O24 88.2(2) . 3_655
C12A C13A C14A O6 -175(2) . .
C12A C13A C14A C15A 0.0 . .
C13A C12A C17A C16A 0.0 . .
C13A C14A C15A C16A 0.0 . .
C14A O6 C14 C13 -162(9) . .
C14A O6 C14 C15 18(8) . .
C14A O6 C19 C20 -68.0(18) . .
C14A C15A C16A C18A 179.2(16) . .
C14A C15A C16A C17A 0.0 . .
C15A C16A C17A C12A 0.0 . .
C17A C12A C13A C14A 0.0 . .
O11 Cu4 O7 C20 159.6(8) . .
O11 Cu4 O7 C20 -20.4(8) 3_556 .
O11 Cu4 N2 C26 136.4(6) . .
O11 Cu4 N2 C26 -43.6(6) 3_556 .
O11 Cu4 N2 C30 -42.9(6) . .
O11 Cu4 N2 C30 137.1(6) 3_556 .
