#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:36:43 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180189 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/85/7108507.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_7108507
loop_
_publ_author_name
'Qilong Zhu'
'Shengchang Xiang'
'Tianlu Sheng'
'Daqiang Yuan'
'Chaojun Shen'
'Chunhong Tan'
'Shengmin Hu'
'Xintao Wu'
_publ_section_title
;
 A series of goblet-like heterometallic pentanuclear [LnIIICuII4] clusters
 featuring ferromagnetic coupling and single-molecule magnet behavior
;
_journal_name_full               Chem.Commun.
_journal_page_first              10736
_journal_paper_doi               10.1039/c2cc35935a
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C18 H50 Cl2 Cu4 Gd N7 O43'
_chemical_formula_weight         1534.96
_chemical_name_systematic
;
?
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.565(5)
_cell_length_b                   20.273(7)
_cell_length_c                   16.053(6)
_cell_measurement_reflns_used    4585
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4719
_cell_measurement_theta_min      2.0090
_cell_volume                     4740(3)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0384
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            35828
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    3.388
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    2.151
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3060
_exptl_crystal_size_max          0.2300
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         1.145
_refine_diff_density_min         -0.952
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.180
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5556
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.180
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0443
_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)+(0.0616P)²+0.7238P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1126
_refine_ls_wR_factor_ref         0.1232
_reflns_number_gt                4976
_reflns_number_total             5556
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc35935a.txt
_cod_data_source_block           a1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      Pnma
_cod_database_code               7108507
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.12858(2) 0.7500 0.103427(19) 0.02699(11) Uani 1 2 d S . .
Cu1 Cu 0.02315(5) 0.7500 -0.09224(5) 0.02712(18) Uani 1 2 d S . .
Cu2 Cu -0.04603(3) 0.64255(3) 0.03032(3) 0.02638(14) Uani 1 1 d . . .
Cu3 Cu -0.10818(5) 0.7500 0.15097(5) 0.02733(17) Uani 1 2 d S . .
Cl1 Cl 0.42252(9) 0.55125(8) 0.20305(11) 0.0600(4) Uani 1 1 d . . .
C1 C -0.2674(3) 0.5454(2) -0.0651(3) 0.0318(10) Uani 1 1 d . . .
C2 C -0.3203(3) 0.6176(2) -0.1763(3) 0.0384(11) Uani 1 1 d . . .
C3 C -0.3949(4) 0.6208(3) -0.0400(4) 0.0420(12) Uani 1 1 d . . .
C4 C -0.1880(3) 0.5475(2) -0.2017(3) 0.0375(11) Uani 1 1 d . . .
H4A H -0.2168 0.5319 -0.2524 0.045 Uiso 1 1 calc R . .
H4B H -0.1576 0.5102 -0.1757 0.045 Uiso 1 1 calc R . .
C5 C -0.1159(3) 0.5993(3) -0.2242(3) 0.0375(11) Uani 1 1 d . . .
H5A H -0.0690 0.5785 -0.2580 0.045 Uiso 1 1 calc R . .
H5B H -0.1450 0.6330 -0.2581 0.045 Uiso 1 1 calc R . .
C6 C -0.0699(3) 0.6326(2) -0.1510(3) 0.0281(9) Uani 1 1 d . . .
C7 C -0.3380(4) 0.5513(3) 0.0744(3) 0.0397(11) Uani 1 1 d . . .
H7A H -0.2984 0.5134 0.0821 0.048 Uiso 1 1 calc R . .
H7B H -0.4006 0.5375 0.0857 0.048 Uiso 1 1 calc R . .
C8 C -0.3110(3) 0.6047(2) 0.1365(3) 0.0353(10) Uani 1 1 d . . .
H8A H -0.3564 0.6396 0.1337 0.042 Uiso 1 1 calc R . .
H8B H -0.3139 0.5860 0.1920 0.042 Uiso 1 1 calc R . .
C9 C -0.2186(3) 0.6349(2) 0.1253(3) 0.0284(9) Uani 1 1 d . . .
N1 N -0.3850(3) 0.6403(2) -0.1216(3) 0.0428(10) Uani 1 1 d . . .
H1A H -0.4230 0.6695 -0.1398 0.051 Uiso 1 1 calc R . .
N2 N -0.2596(3) 0.57227(18) -0.1450(2) 0.0330(8) Uani 1 1 d . . .
N3 N -0.3314(3) 0.57397(19) -0.0130(3) 0.0336(8) Uani 1 1 d . . .
N4 N -0.2060(4) 0.7500 -0.0375(3) 0.0297(11) Uani 1 2 d S . .
O1 O -0.2201(2) 0.49849(16) -0.0436(2) 0.0395(8) Uani 1 1 d . . .
O1W O -0.5045(4) 0.7500 -0.1667(3) 0.0520(14) Uani 1 2 d S . .
O2 O -0.3166(3) 0.63656(19) -0.2481(2) 0.0507(9) Uani 1 1 d . . .
O2W O -0.0176(5) 0.7500 0.3791(5) 0.080(2) Uani 1 2 d S . .
O3 O -0.4550(2) 0.6412(2) 0.0052(3) 0.0555(11) Uani 1 1 d . . .
O3WA O 0.1417(9) 0.5770(8) -0.0860(10) 0.064(4) Uani 0.50 1 d P A 1
O3WB O 0.1832(9) 0.5944(8) -0.0865(10) 0.057(3) Uani 0.50 1 d P B 2
O4 O -0.0797(2) 0.60720(16) -0.0789(2) 0.0344(7) Uani 1 1 d . . .
O4WA O 0.3726(8) 0.6643(8) -0.0691(10) 0.101(4) Uani 0.50 1 d P . .
O4WB O 0.3530(10) 0.6277(9) -0.0145(17) 0.158(8) Uani 0.50 1 d P . .
O5 O -0.0242(2) 0.68366(16) -0.1684(2) 0.0347(7) Uani 1 1 d . . .
O6 O -0.1648(2) 0.61112(16) 0.0724(2) 0.0332(7) Uani 1 1 d . . .
O7 O -0.2015(2) 0.68423(16) 0.1722(2) 0.0369(8) Uani 1 1 d . . .
O8 O 0.0657(2) 0.68456(15) -0.01057(18) 0.0275(6) Uani 1 1 d . . .
H8C H 0.1100 0.6531 -0.0338 0.033 Uiso 1 1 calc R . .
O9 O -0.01090(19) 0.68518(14) 0.13690(18) 0.0259(6) Uani 1 1 d . . .
H9A H -0.0038 0.6546 0.1838 0.031 Uiso 1 1 calc R . .
O10 O 0.0227(3) 0.5417(2) 0.0791(3) 0.0581(11) Uani 1 1 d . . .
H10A H 0.0741 0.5240 0.0678 0.070 Uiso 1 1 d R . .
H10B H -0.0203 0.5295 0.1115 0.070 Uiso 1 1 d R . .
O11 O 0.1670(3) 0.7500 -0.1615(3) 0.0418(12) Uani 1 2 d S . .
H11 H 0.1782 0.7152 -0.1892 0.050 Uiso 1 1 d R . .
O12 O 0.2855(4) 0.7500 0.1623(4) 0.077(2) Uani 1 2 d S . .
H12 H 0.2984 0.7835 0.1918 0.092 Uiso 1 1 d R . .
O13 O 0.2437(3) 0.7500 -0.0056(3) 0.0577(16) Uani 1 2 d S . .
H13A H 0.2316 0.7500 -0.0575 0.069 Uiso 1 2 d SR . .
H13B H 0.2958 0.7500 -0.0005 0.069 Uiso 1 2 d SR . .
O14 O 0.1251(3) 0.7500 0.2544(3) 0.0418(12) Uani 1 2 d S . .
H14A H 0.0785 0.7500 0.2863 0.050 Uiso 1 2 d SR . .
H14B H 0.1769 0.7500 0.2802 0.050 Uiso 1 2 d SR . .
O15 O 0.1770(3) 0.6360(2) 0.1268(3) 0.0578(11) Uani 1 1 d . . .
H15A H 0.2347 0.6309 0.1224 0.069 Uiso 1 1 d R . .
H15B H 0.1393 0.6079 0.1078 0.069 Uiso 1 1 d R . .
O16 O -0.2083(4) 0.7500 -0.1111(4) 0.081(2) Uani 1 2 d S . .
O17 O -0.1231(3) 0.7500 -0.0007(3) 0.0318(10) Uani 1 2 d S . .
O18 O -0.2719(4) 0.7500 0.0089(4) 0.072(2) Uani 1 2 d S . .
O19 O 0.4515(3) 0.5058(3) 0.1424(4) 0.093(2) Uani 1 1 d . . .
O20 O 0.4929(3) 0.5938(3) 0.2274(3) 0.0794(16) Uani 1 1 d . . .
O21 O 0.3473(6) 0.5827(5) 0.1784(9) 0.224(7) Uani 1 1 d . . .
O22 O 0.3942(7) 0.5153(5) 0.2760(5) 0.176(5) Uani 1 1 d . . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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
O14 Gd1 O13 137.42(17) . .
O14 Gd1 O8 137.94(9) . .
O13 Gd1 O8 73.61(13) . .
O14 Gd1 O8 137.94(9) . 7_575
O13 Gd1 O8 73.61(13) . 7_575
O8 Gd1 O8 65.92(14) . 7_575
O14 Gd1 O15 81.50(11) . .
O13 Gd1 O15 84.91(12) . .
O8 Gd1 O15 73.12(12) . .
O8 Gd1 O15 137.55(12) 7_575 .
O14 Gd1 O15 81.50(11) . 7_575
O13 Gd1 O15 84.91(12) . 7_575
O8 Gd1 O15 137.55(12) . 7_575
O8 Gd1 O15 73.12(12) 7_575 7_575
O15 Gd1 O15 141.8(2) . 7_575
O14 Gd1 O12 68.72(18) . .
O13 Gd1 O12 68.70(19) . .
O8 Gd1 O12 129.32(12) . .
O8 Gd1 O12 129.32(12) 7_575 .
O15 Gd1 O12 71.00(10) . .
O15 Gd1 O12 71.00(10) 7_575 .
O14 Gd1 O9 76.48(11) . .
O13 Gd1 O9 136.35(10) . .
O8 Gd1 O9 64.32(10) . .
O8 Gd1 O9 98.25(10) 7_575 .
O15 Gd1 O9 72.68(13) . .
O15 Gd1 O9 134.77(13) 7_575 .
O12 Gd1 O9 132.42(12) . .
O14 Gd1 O9 76.48(11) . 7_575
O13 Gd1 O9 136.35(10) . 7_575
O8 Gd1 O9 98.25(10) . 7_575
O8 Gd1 O9 64.32(10) 7_575 7_575
O15 Gd1 O9 134.77(13) . 7_575
O15 Gd1 O9 72.68(13) 7_575 7_575
O12 Gd1 O9 132.42(12) . 7_575
O9 Gd1 O9 64.04(13) . 7_575
O14 Gd1 Cu1 152.75(11) . .
O13 Gd1 Cu1 69.83(13) . .
O8 Gd1 Cu1 32.96(7) . .
O8 Gd1 Cu1 32.96(7) 7_575 .
O15 Gd1 Cu1 105.37(10) . .
O15 Gd1 Cu1 105.37(10) 7_575 .
O12 Gd1 Cu1 138.53(14) . .
O9 Gd1 Cu1 80.49(7) . .
O9 Gd1 Cu1 80.49(7) 7_575 .
O14 Gd1 Cu3 76.32(10) . .
O13 Gd1 Cu3 146.26(13) . .
O8 Gd1 Cu3 78.22(7) . .
O8 Gd1 Cu3 78.22(7) 7_575 .
O15 Gd1 Cu3 104.40(11) . .
O15 Gd1 Cu3 104.40(11) 7_575 .
O12 Gd1 Cu3 145.04(14) . .
O9 Gd1 Cu3 32.10(7) . .
O9 Gd1 Cu3 32.10(7) 7_575 .
Cu1 Gd1 Cu3 76.43(2) . .
O14 Gd1 Cu2 108.41(8) . .
O13 Gd1 Cu2 104.89(10) . .
O8 Gd1 Cu2 31.66(7) . .
O8 Gd1 Cu2 79.44(7) 7_575 .
O15 Gd1 Cu2 71.19(11) . .
O15 Gd1 Cu2 146.92(10) 7_575 .
O12 Gd1 Cu2 142.067(16) . .
O9 Gd1 Cu2 32.73(7) . .
O9 Gd1 Cu2 79.03(7) 7_575 .
Cu1 Gd1 Cu2 52.271(14) . .
Cu3 Gd1 Cu2 51.075(18) . .
O5 Cu1 O5 87.6(2) . 7_575
O5 Cu1 O8 176.70(13) . 7_575
O5 Cu1 O8 93.69(13) 7_575 7_575
O5 Cu1 O8 93.69(13) . .
O5 Cu1 O8 176.70(13) 7_575 .
O8 Cu1 O8 84.89(18) 7_575 .
O5 Cu1 O11 91.11(13) . .
O5 Cu1 O11 91.11(13) 7_575 .
O8 Cu1 O11 91.92(13) 7_575 .
O8 Cu1 O11 91.92(13) . .
O5 Cu1 Gd1 136.11(10) . .
O5 Cu1 Gd1 136.11(10) 7_575 .
O8 Cu1 Gd1 42.45(9) 7_575 .
O8 Cu1 Gd1 42.45(9) . .
O11 Cu1 Gd1 91.88(13) . .
O8 Cu2 O4 93.87(13) . .
O8 Cu2 O6 173.03(13) . .
O4 Cu2 O6 88.22(14) . .
O8 Cu2 O9 83.38(12) . .
O4 Cu2 O9 175.55(13) . .
O6 Cu2 O9 94.11(13) . .
O8 Cu2 O10 97.65(14) . .
O4 Cu2 O10 94.88(15) . .
O6 Cu2 O10 88.79(14) . .
O9 Cu2 O10 88.97(14) . .
O8 Cu2 Cu3 98.59(9) . .
O4 Cu2 Cu3 139.09(10) . .
O6 Cu2 Cu3 75.63(9) . .
O9 Cu2 Cu3 38.59(8) . .
O10 Cu2 Cu3 121.53(11) . .
O8 Cu2 Gd1 40.99(9) . .
O4 Cu2 Gd1 134.49(10) . .
O6 Cu2 Gd1 135.79(10) . .
O9 Cu2 Gd1 42.48(8) . .
O10 Cu2 Gd1 96.63(11) . .
Cu3 Cu2 Gd1 64.18(2) . .
O7 Cu3 O7 87.1(2) . 7_575
O7 Cu3 O9 93.82(13) . .
O7 Cu3 O9 176.18(14) 7_575 .
O7 Cu3 O9 176.18(14) . 7_575
O7 Cu3 O9 93.82(13) 7_575 7_575
O9 Cu3 O9 84.97(17) . 7_575
O7 Cu3 Cu2 80.11(10) . .
O7 Cu3 Cu2 144.30(11) 7_575 .
O9 Cu3 Cu2 39.49(8) . .
O9 Cu3 Cu2 101.09(9) 7_575 .
O7 Cu3 Cu2 144.30(11) . 7_575
O7 Cu3 Cu2 80.11(10) 7_575 7_575
O9 Cu3 Cu2 101.09(9) . 7_575
O9 Cu3 Cu2 39.49(8) 7_575 7_575
Cu2 Cu3 Cu2 91.07(4) . 7_575
O7 Cu3 Gd1 136.40(10) . .
O7 Cu3 Gd1 136.40(10) 7_575 .
O9 Cu3 Gd1 42.60(9) . .
O9 Cu3 Gd1 42.60(9) 7_575 .
Cu2 Cu3 Gd1 64.743(17) . .
Cu2 Cu3 Gd1 64.743(17) 7_575 .
O21 Cl1 O20 113.1(5) . .
O21 Cl1 O19 110.8(5) . .
O20 Cl1 O19 112.3(3) . .
O21 Cl1 O22 104.4(8) . .
O20 Cl1 O22 107.2(4) . .
O19 Cl1 O22 108.5(5) . .
O1 C1 N3 122.4(4) . .
O1 C1 N2 121.1(4) . .
N3 C1 N2 116.5(4) . .
O2 C2 N1 122.3(5) . .
O2 C2 N2 122.0(5) . .
N1 C2 N2 115.7(5) . .
O3 C3 N1 123.2(5) . .
O3 C3 N3 121.8(5) . .
N1 C3 N3 115.0(5) . .
N2 C4 C5 113.5(4) . .
C6 C5 C4 115.3(4) . .
O5 C6 O4 126.3(4) . .
O5 C6 C5 115.4(4) . .
O4 C6 C5 118.4(4) . .
N3 C7 C8 112.5(4) . .
C9 C8 C7 116.6(4) . .
O6 C9 O7 125.4(4) . .
O6 C9 C8 119.3(4) . .
O7 C9 C8 115.3(4) . .
C2 N1 C3 125.9(4) . .
C2 N2 C1 123.1(4) . .
C2 N2 C4 117.4(4) . .
C1 N2 C4 119.4(4) . .
C1 N3 C3 123.1(4) . .
C1 N3 C7 119.2(4) . .
C3 N3 C7 117.6(4) . .
O16 N4 O18 126.2(6) . .
O16 N4 O17 117.7(5) . .
O18 N4 O17 116.1(6) . .
C6 O4 Cu2 129.6(3) . .
C6 O5 Cu1 128.0(3) . .
C9 O6 Cu2 131.3(3) . .
C9 O7 Cu3 125.0(3) . .
Cu2 O8 Cu1 104.81(14) . .
Cu2 O8 Gd1 107.35(13) . .
Cu1 O8 Gd1 104.59(13) . .
Cu3 O9 Cu2 101.92(13) . .
Cu3 O9 Gd1 105.30(12) . .
Cu2 O9 Gd1 104.80(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O14 2.425(5) .
Gd1 O13 2.423(5) .
Gd1 O8 2.438(3) .
Gd1 O8 2.438(3) 7_575
Gd1 O15 2.445(4) .
Gd1 O15 2.445(4) 7_575
Gd1 O12 2.473(5) .
Gd1 O9 2.478(3) .
Gd1 O9 2.478(3) 7_575
Gd1 Cu1 3.4963(13) .
Gd1 Cu3 3.5318(13) .
Gd1 Cu2 3.5483(9) .
Cu1 O5 1.944(3) .
Cu1 O5 1.944(3) 7_575
Cu1 O8 1.966(3) 7_575
Cu1 O8 1.966(3) .
Cu1 O11 2.372(5) .
Cu2 O8 1.951(3) .
Cu2 O4 1.957(3) .
Cu2 O6 1.963(3) .
Cu2 O9 1.984(3) .
Cu2 O10 2.407(4) .
Cu2 Cu3 3.0523(10) .
Cu3 O7 1.934(3) .
Cu3 O7 1.934(3) 7_575
Cu3 O9 1.946(3) .
Cu3 O9 1.946(3) 7_575
Cu3 Cu2 3.0523(10) 7_575
Cl1 O21 1.328(7) .
Cl1 O20 1.395(4) .
Cl1 O19 1.406(5) .
Cl1 O22 1.440(8) .
C1 O1 1.223(5) .
C1 N3 1.381(6) .
C1 N2 1.399(6) .
C2 O2 1.216(6) .
C2 N1 1.368(7) .
C2 N2 1.372(6) .
C3 O3 1.211(7) .
C3 N1 1.376(7) .
C3 N3 1.393(6) .
C4 N2 1.472(6) .
C4 C5 1.529(7) .
C5 C6 1.512(6) .
C6 O5 1.261(5) .
C6 O4 1.274(5) .
C7 N3 1.480(6) .
C7 C8 1.523(7) .
C8 C9 1.488(6) .
C9 O6 1.252(5) .
C9 O7 1.276(6) .
N4 O16 1.183(8) .
N4 O18 1.215(8) .
N4 O17 1.345(7) .
O4WA O4WB 1.18(2) .
