#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:36:43 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180189 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/85/7108509.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_7108509
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 N7 O43 Sm'
_chemical_formula_weight         1528.06
_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                   14.5762(4)
_cell_length_b                   20.2376(6)
_cell_length_c                   15.9957(5)
_cell_measurement_reflns_used    12963
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4856
_cell_measurement_theta_min      2.1403
_cell_volume                     4718.5(2)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0172
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            35469
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    3.242
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7667
_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             3052
_exptl_crystal_size_max          0.1900
_exptl_crystal_size_mid          0.1700
_exptl_crystal_size_min          0.1600
_refine_diff_density_max         2.033
_refine_diff_density_min         -0.973
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5555
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0338
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0593P)²+9.7632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0991
_refine_ls_wR_factor_ref         0.0999
_reflns_number_gt                5385
_reflns_number_total             5555
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc35935a.txt
_cod_data_source_block           a3
_cod_original_sg_symbol_H-M      Pnma
_cod_database_code               7108509
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
Sm1 Sm 0.126626(14) 0.7500 0.102972(13) 0.01942(8) Uani 1 2 d S . .
Cu1 Cu 0.02275(4) 0.7500 -0.09188(3) 0.02320(13) Uani 1 2 d S . .
Cu2 Cu -0.04623(3) 0.64260(2) 0.03075(2) 0.02247(11) Uani 1 1 d . . .
Cu3 Cu -0.10796(4) 0.7500 0.15208(4) 0.02353(13) Uani 1 2 d S . .
Cl1 Cl 0.42191(7) 0.55166(7) 0.20219(8) 0.0559(3) Uani 1 1 d . . .
C1 C -0.2674(2) 0.54518(17) -0.0647(2) 0.0282(7) Uani 1 1 d . . .
C2 C -0.3205(3) 0.61761(19) -0.1756(2) 0.0346(8) Uani 1 1 d . . .
C3 C -0.3943(3) 0.6203(2) -0.0396(3) 0.0365(8) Uani 1 1 d . . .
C4 C -0.1875(3) 0.54727(19) -0.2017(2) 0.0326(7) Uani 1 1 d . . .
H4A H -0.2161 0.5315 -0.2527 0.039 Uiso 1 1 calc R . .
H4B H -0.1571 0.5100 -0.1755 0.039 Uiso 1 1 calc R . .
C5 C -0.1162(3) 0.5990(2) -0.2240(2) 0.0356(8) Uani 1 1 d . . .
H5A H -0.0693 0.5783 -0.2581 0.043 Uiso 1 1 calc R . .
H5B H -0.1454 0.6327 -0.2578 0.043 Uiso 1 1 calc R . .
C6 C -0.0696(2) 0.63258(17) -0.1506(2) 0.0256(6) Uani 1 1 d . . .
C7 C -0.3377(3) 0.5516(2) 0.0745(2) 0.0340(8) Uani 1 1 d . . .
H7A H -0.2978 0.5136 0.0821 0.041 Uiso 1 1 calc R . .
H7B H -0.4001 0.5375 0.0856 0.041 Uiso 1 1 calc R . .
C8 C -0.3112(2) 0.6048(2) 0.1370(2) 0.0329(8) Uani 1 1 d . . .
H8A H -0.3564 0.6399 0.1338 0.039 Uiso 1 1 calc R . .
H8B H -0.3147 0.5860 0.1927 0.039 Uiso 1 1 calc R . .
C9 C -0.2177(2) 0.63501(17) 0.1263(2) 0.0254(6) Uani 1 1 d . . .
N1 N -0.3847(2) 0.64074(19) -0.1213(2) 0.0406(8) Uani 1 1 d . . .
H1A H -0.4221 0.6704 -0.1392 0.049 Uiso 1 1 calc R . .
N2 N -0.2597(2) 0.57237(15) -0.14478(18) 0.0299(6) Uani 1 1 d . . .
N3 N -0.3311(2) 0.57421(16) -0.01307(19) 0.0311(6) Uani 1 1 d . . .
N4 N -0.2057(3) 0.7500 -0.0369(3) 0.0274(8) Uani 1 2 d S . .
O1 O -0.2202(2) 0.49850(14) -0.04344(17) 0.0365(6) Uani 1 1 d . . .
O1W O -0.5036(3) 0.7500 -0.1661(3) 0.0484(11) Uani 1 2 d S . .
O2 O -0.3165(2) 0.63664(15) -0.24819(19) 0.0478(7) Uani 1 1 d . . .
O2W O -0.0183(5) 0.7500 0.3785(4) 0.0758(17) Uani 1 2 d S . .
O3 O -0.4545(2) 0.64151(18) 0.0054(2) 0.0511(8) Uani 1 1 d . . .
O3WA O 0.1408(8) 0.5770(8) -0.0867(8) 0.067(4) Uani 0.50 1 d P A 1
O3WB O 0.1818(8) 0.5953(7) -0.0847(9) 0.058(3) Uani 0.50 1 d P B 2
O4 O -0.07983(18) 0.60701(13) -0.07908(15) 0.0308(5) Uani 1 1 d . . .
O4WA O 0.3734(7) 0.6650(7) -0.0680(8) 0.096(4) Uani 0.50 1 d P . .
O4WB O 0.3516(8) 0.6296(8) -0.0127(14) 0.143(6) Uani 0.50 1 d P . .
O5 O -0.02417(18) 0.68336(13) -0.16837(15) 0.0321(5) Uani 1 1 d . . .
O6 O -0.16472(16) 0.61120(13) 0.07292(15) 0.0285(5) Uani 1 1 d . . .
O7 O -0.20103(19) 0.68409(13) 0.17345(16) 0.0344(6) Uani 1 1 d . . .
O8 O 0.06560(15) 0.68497(12) -0.01012(14) 0.0242(5) Uani 1 1 d . . .
H8C H 0.1101 0.6536 -0.0333 0.029 Uiso 1 1 calc R . .
O9 O -0.01041(15) 0.68557(11) 0.13707(13) 0.0231(4) Uani 1 1 d . . .
H9A H -0.0026 0.6550 0.1841 0.028 Uiso 1 1 calc R . .
O10 O 0.0234(2) 0.54243(16) 0.0802(2) 0.0529(8) Uani 1 1 d . . .
H10A H 0.0326 0.5150 0.0409 0.063 Uiso 1 1 d R . .
H10B H -0.0196 0.5302 0.1125 0.063 Uiso 1 1 d R . .
O11 O 0.1665(3) 0.7500 -0.1608(2) 0.0379(9) Uani 1 2 d S . .
H11 H 0.1777 0.7152 -0.1885 0.046 Uiso 1 1 d R . .
O12 O 0.2824(3) 0.7500 0.1617(3) 0.0745(19) Uani 1 2 d S . .
H12 H 0.2954 0.7835 0.1912 0.089 Uiso 1 1 d R . .
O13 O 0.2410(3) 0.7500 -0.0042(3) 0.0512(12) Uani 1 2 d S . .
H13A H 0.2289 0.7500 -0.0561 0.061 Uiso 1 2 d SR . .
H13B H 0.2931 0.7500 0.0009 0.061 Uiso 1 2 d SR . .
O14 O 0.1243(3) 0.7500 0.2525(2) 0.0386(9) Uani 1 2 d S . .
H14A H 0.0776 0.7500 0.2844 0.046 Uiso 1 2 d SR . .
H14B H 0.1761 0.7500 0.2782 0.046 Uiso 1 2 d SR . .
O15 O 0.1757(3) 0.63693(17) 0.1265(2) 0.0547(9) Uani 1 1 d . . .
H15A H 0.2334 0.6318 0.1221 0.066 Uiso 1 1 d R . .
H15B H 0.1379 0.6087 0.1074 0.066 Uiso 1 1 d R . .
O16 O -0.2080(4) 0.7500 -0.1105(3) 0.079(2) Uani 1 2 d S . .
O17 O -0.1229(2) 0.7500 -0.0005(2) 0.0288(7) Uani 1 2 d S . .
O18 O -0.2720(3) 0.7500 0.0091(3) 0.0662(16) Uani 1 2 d S . .
O19 O 0.4506(3) 0.5064(2) 0.1410(3) 0.0882(17) Uani 1 1 d . . .
O20 O 0.4925(3) 0.5943(2) 0.2264(2) 0.0743(13) Uani 1 1 d . . .
O21 O 0.3477(5) 0.5847(5) 0.1762(8) 0.232(6) Uani 1 1 d . . .
O22 O 0.3961(6) 0.5155(4) 0.2753(4) 0.174(4) 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'
Sm Sm -0.1638 3.4418 '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 Sm1 O13 136.61(14) . .
O14 Sm1 O8 138.25(8) . .
O13 Sm1 O8 73.68(10) . .
O14 Sm1 O8 138.25(8) . 7_575
O13 Sm1 O8 73.68(10) . 7_575
O8 Sm1 O8 66.28(11) . 7_575
O14 Sm1 O15 81.33(9) . 7_575
O13 Sm1 O15 84.58(10) . 7_575
O8 Sm1 O15 137.80(10) . 7_575
O8 Sm1 O15 73.13(10) 7_575 7_575
O14 Sm1 O15 81.34(9) . .
O13 Sm1 O15 84.58(10) . .
O8 Sm1 O15 73.13(10) . .
O8 Sm1 O15 137.80(10) 7_575 .
O15 Sm1 O15 141.11(18) 7_575 .
O14 Sm1 O9 76.43(9) . .
O13 Sm1 O9 136.80(8) . .
O8 Sm1 O9 64.82(7) . .
O8 Sm1 O9 99.04(7) 7_575 .
O15 Sm1 O9 135.11(11) 7_575 .
O15 Sm1 O9 72.76(11) . .
O14 Sm1 O9 76.43(9) . 7_575
O13 Sm1 O9 136.80(8) . 7_575
O8 Sm1 O9 99.04(7) . 7_575
O8 Sm1 O9 64.82(7) 7_575 7_575
O15 Sm1 O9 72.76(11) 7_575 7_575
O15 Sm1 O9 135.11(11) . 7_575
O9 Sm1 O9 64.40(11) . 7_575
O14 Sm1 O12 68.36(15) . .
O13 Sm1 O12 68.25(15) . .
O8 Sm1 O12 128.94(10) . .
O8 Sm1 O12 128.94(10) 7_575 .
O15 Sm1 O12 70.64(9) 7_575 .
O15 Sm1 O12 70.64(9) . .
O9 Sm1 O12 132.01(10) . .
O9 Sm1 O12 132.01(10) 7_575 .
O14 Sm1 Cu1 153.27(9) . .
O13 Sm1 Cu1 70.12(10) . .
O8 Sm1 Cu1 33.14(6) . .
O8 Sm1 Cu1 33.14(6) 7_575 .
O15 Sm1 Cu1 105.55(8) 7_575 .
O15 Sm1 Cu1 105.55(8) . .
O9 Sm1 Cu1 81.01(5) . .
O9 Sm1 Cu1 81.01(5) 7_575 .
O12 Sm1 Cu1 138.37(12) . .
O14 Sm1 Cu3 76.24(9) . .
O13 Sm1 Cu3 147.15(10) . .
O8 Sm1 Cu3 78.94(5) . .
O8 Sm1 Cu3 78.94(5) 7_575 .
O15 Sm1 Cu3 104.63(10) 7_575 .
O15 Sm1 Cu3 104.63(10) . .
O9 Sm1 Cu3 32.28(5) . .
O9 Sm1 Cu3 32.28(5) 7_575 .
O12 Sm1 Cu3 144.60(12) . .
Cu1 Sm1 Cu3 77.028(14) . .
O14 Sm1 Cu2 108.52(7) . .
O13 Sm1 Cu2 105.29(8) . .
O8 Sm1 Cu2 31.99(5) . .
O8 Sm1 Cu2 80.01(6) 7_575 .
O15 Sm1 Cu2 147.51(9) 7_575 .
O15 Sm1 Cu2 71.32(9) . .
O9 Sm1 Cu2 32.90(5) . .
O9 Sm1 Cu2 79.51(5) 7_575 .
O12 Sm1 Cu2 141.846(9) . .
Cu1 Sm1 Cu2 52.586(9) . .
Cu3 Sm1 Cu2 51.412(9) . .
O5 Cu1 O5 87.79(16) 7_575 .
O5 Cu1 O8 93.80(10) 7_575 7_575
O5 Cu1 O8 176.85(10) . 7_575
O5 Cu1 O8 176.85(10) 7_575 .
O5 Cu1 O8 93.80(10) . .
O8 Cu1 O8 84.48(14) 7_575 .
O5 Cu1 O11 91.04(11) 7_575 .
O5 Cu1 O11 91.04(11) . .
O8 Cu1 O11 91.65(10) 7_575 .
O8 Cu1 O11 91.65(10) . .
O5 Cu1 Sm1 136.01(8) 7_575 .
O5 Cu1 Sm1 136.01(8) . .
O8 Cu1 Sm1 42.24(7) 7_575 .
O8 Cu1 Sm1 42.24(7) . .
O11 Cu1 Sm1 91.84(10) . .
O8 Cu2 O4 94.00(10) . .
O8 Cu2 O6 172.88(11) . .
O4 Cu2 O6 88.23(11) . .
O8 Cu2 O9 82.80(10) . .
O4 Cu2 O9 175.30(10) . .
O6 Cu2 O9 94.54(10) . .
O8 Cu2 O10 97.35(11) . .
O4 Cu2 O10 95.18(12) . .
O6 Cu2 O10 89.17(12) . .
O9 Cu2 O10 88.66(11) . .
O8 Cu2 Cu3 98.41(7) . .
O4 Cu2 Cu3 139.32(8) . .
O6 Cu2 Cu3 75.65(7) . .
O9 Cu2 Cu3 38.58(7) . .
O10 Cu2 Cu3 121.13(9) . .
O8 Cu2 Sm1 40.74(7) . .
O4 Cu2 Sm1 134.36(8) . .
O6 Cu2 Sm1 135.85(7) . .
O9 Cu2 Sm1 42.16(7) . .
O10 Cu2 Sm1 96.35(9) . .
Cu3 Cu2 Sm1 64.057(13) . .
O7 Cu3 O7 87.27(16) . 7_575
O7 Cu3 O9 176.33(11) . 7_575
O7 Cu3 O9 94.15(11) 7_575 7_575
O7 Cu3 O9 94.15(11) . .
O7 Cu3 O9 176.33(11) 7_575 .
O9 Cu3 O9 84.24(14) 7_575 .
O7 Cu3 Cu2 144.23(9) . 7_575
O7 Cu3 Cu2 80.08(8) 7_575 7_575
O9 Cu3 Cu2 39.43(6) 7_575 7_575
O9 Cu3 Cu2 100.58(7) . 7_575
O7 Cu3 Cu2 80.08(8) . .
O7 Cu3 Cu2 144.23(9) 7_575 .
O9 Cu3 Cu2 100.58(7) 7_575 .
O9 Cu3 Cu2 39.43(6) . .
Cu2 Cu3 Cu2 90.91(2) 7_575 .
O7 Cu3 Sm1 136.35(8) . .
O7 Cu3 Sm1 136.35(8) 7_575 .
O9 Cu3 Sm1 42.23(7) 7_575 .
O9 Cu3 Sm1 42.23(7) . .
Cu2 Cu3 Sm1 64.531(12) 7_575 .
Cu2 Cu3 Sm1 64.531(12) . .
O21 Cl1 O20 111.9(5) . .
O21 Cl1 O19 110.5(5) . .
O20 Cl1 O19 112.1(2) . .
O21 Cl1 O22 107.3(7) . .
O20 Cl1 O22 106.5(3) . .
O19 Cl1 O22 108.3(4) . .
O1 C1 N3 123.1(3) . .
O1 C1 N2 121.1(3) . .
N3 C1 N2 115.9(3) . .
O2 C2 N1 122.1(4) . .
O2 C2 N2 121.5(4) . .
N1 C2 N2 116.5(3) . .
O3 C3 N1 122.0(4) . .
O3 C3 N3 122.7(4) . .
N1 C3 N3 115.3(4) . .
N2 C4 C5 113.2(3) . .
C6 C5 C4 115.8(3) . .
O5 C6 O4 127.0(3) . .
O5 C6 C5 115.3(3) . .
O4 C6 C5 117.7(3) . .
N3 C7 C8 112.8(3) . .
C9 C8 C7 116.4(3) . .
O6 C9 O7 126.1(3) . .
O6 C9 C8 118.8(3) . .
O7 C9 C8 115.1(3) . .
C2 N1 C3 125.0(4) . .
C2 N2 C1 122.8(3) . .
C2 N2 C4 117.9(3) . .
C1 N2 C4 119.0(3) . .
C3 N3 C1 123.8(3) . .
C3 N3 C7 117.3(3) . .
C1 N3 C7 118.7(3) . .
O16 N4 O18 125.7(5) . .
O16 N4 O17 117.3(4) . .
O18 N4 O17 117.0(4) . .
C6 O4 Cu2 129.1(2) . .
C6 O5 Cu1 127.7(2) . .
C9 O6 Cu2 131.0(2) . .
C9 O7 Cu3 124.7(2) . .
Cu2 O8 Cu1 104.61(11) . .
Cu2 O8 Sm1 107.26(9) . .
Cu1 O8 Sm1 104.62(10) . .
Cu3 O9 Cu2 101.99(10) . .
Cu3 O9 Sm1 105.50(10) . .
Cu2 O9 Sm1 104.94(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 O14 2.392(4) .
Sm1 O13 2.391(4) .
Sm1 O8 2.407(2) .
Sm1 O8 2.407(2) 7_575
Sm1 O15 2.427(3) 7_575
Sm1 O15 2.427(3) .
Sm1 O9 2.447(2) .
Sm1 O9 2.447(2) 7_575
Sm1 O12 2.457(5) .
Sm1 Cu1 3.4651(6) .
Sm1 Cu3 3.5084(6) .
Sm1 Cu2 3.5224(4) .
Cu1 O5 1.945(3) 7_575
Cu1 O5 1.945(3) .
Cu1 O8 1.958(2) 7_575
Cu1 O8 1.958(2) .
Cu1 O11 2.368(4) .
Cu2 O8 1.954(2) .
Cu2 O4 1.961(2) .
Cu2 O6 1.960(2) .
Cu2 O9 1.980(2) .
Cu2 O10 2.401(3) .
Cu2 Cu3 3.0496(5) .
Cu3 O7 1.933(3) .
Cu3 O7 1.933(3) 7_575
Cu3 O9 1.944(2) 7_575
Cu3 O9 1.944(2) .
Cu3 Cu2 3.0496(5) 7_575
Cl1 O21 1.337(7) .
Cl1 O20 1.399(4) .
Cl1 O19 1.404(4) .
Cl1 O22 1.430(7) .
C1 O1 1.217(4) .
C1 N3 1.375(5) .
C1 N2 1.398(4) .
C2 O2 1.224(5) .
C2 N1 1.360(6) .
C2 N2 1.367(5) .
C3 O3 1.214(5) .
C3 N1 1.378(5) .
C3 N3 1.378(5) .
C4 N2 1.481(5) .
C4 C5 1.519(5) .
C5 C6 1.516(5) .
C6 O5 1.255(4) .
C6 O4 1.265(4) .
C7 N3 1.477(5) .
C7 C8 1.520(5) .
C8 C9 1.503(5) .
C9 O6 1.249(4) .
C9 O7 1.270(4) .
N4 O16 1.178(6) .
N4 O18 1.214(6) .
N4 O17 1.340(5) .
O4WA O4WB 1.181(19) .
