#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:07:06 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179913 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/08/7020807.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_7020807
loop_
_publ_author_name
'Zhang, Xiaoying'
'Li, Bo'
'Tang, Jinkui'
'Tian, Jumei'
'Huang, Guolong'
'Zhang, Jingping'
_publ_section_title
;
 Tuning the interactions from antiferro- to ferro-magnetic by molecular
 tailoring and manipulating
;
_journal_issue                   10
_journal_name_full               'Dalton Transactions'
_journal_page_first              3308
_journal_paper_doi               10.1039/c2dt32021e
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C60 H66 Cl2 Cu8 N8 O28'
_chemical_formula_weight         1926.43
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 102.362(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.9615(14)
_cell_length_b                   23.642(3)
_cell_length_c                   12.8979(15)
_cell_measurement_reflns_used    6308
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      1.72
_cell_volume                     3562.9(7)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω 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  0.0732
_diffrn_reflns_av_sigmaI/netI    0.0882
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            17886
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    2.503
_exptl_absorpt_correction_T_max  0.687
_exptl_absorpt_correction_T_min  0.554
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1944
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.779
_refine_diff_density_min         -0.938
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         6308
_refine_ls_number_restraints     236
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0964
_refine_ls_R_factor_gt           0.0528
_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)+(0.0568P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1156
_refine_ls_wR_factor_ref         0.1348
_reflns_number_gt                3872
_reflns_number_total             6308
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32021e.txt
_cod_data_source_block           2#
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7020807
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Cu1 Cu 0.04011(6) 0.07043(3) 0.76901(6) 0.0340(2) Uani 1 1 d . . .
Cu2 Cu 0.33042(6) 0.06067(3) 0.94462(6) 0.0372(2) Uani 1 1 d . . .
Cu3 Cu 0.20848(7) 0.16568(3) 0.86678(6) 0.0365(2) Uani 1 1 d . . .
Cu4 Cu 0.10718(7) 0.07250(3) 1.03752(6) 0.0365(2) Uani 1 1 d . . .
C1 C 0.0327(6) -0.0311(3) 0.6270(5) 0.0470(18) Uani 1 1 d . . .
H1 H -0.0366 -0.0403 0.6442 0.056 Uiso 1 1 calc R . .
C2 C 0.0742(8) -0.0651(3) 0.5577(6) 0.057(2) Uani 1 1 d . . .
H2 H 0.0345 -0.0972 0.5287 0.069 Uiso 1 1 calc R . .
C3 C 0.1754(8) -0.0504(3) 0.5327(6) 0.068(3) Uani 1 1 d . . .
H3 H 0.2055 -0.0727 0.4859 0.082 Uiso 1 1 calc R . .
C4 C 0.2338(7) -0.0027(3) 0.5760(5) 0.054(2) Uani 1 1 d . . .
H4 H 0.3021 0.0078 0.5579 0.064 Uiso 1 1 calc R . .
C5 C 0.1881(6) 0.0292(3) 0.6472(5) 0.0389(16) Uani 1 1 d . . .
C6 C 0.2436(6) 0.0819(3) 0.6998(5) 0.0405(17) Uani 1 1 d . . .
H6A H 0.3261 0.0773 0.7172 0.049 Uiso 1 1 calc R . .
H6B H 0.2255 0.1138 0.6519 0.049 Uiso 1 1 calc R . .
C7 C 0.4422(6) -0.0275(3) 0.8354(5) 0.0458(18) Uani 1 1 d . . .
H7 H 0.4983 -0.0008 0.8318 0.055 Uiso 1 1 calc R . .
C8 C 0.4465(7) -0.0785(3) 0.7878(6) 0.054(2) Uani 1 1 d . . .
H8 H 0.5045 -0.0865 0.7521 0.064 Uiso 1 1 calc R . .
C9 C 0.3639(7) -0.1181(3) 0.7930(6) 0.065(2) Uani 1 1 d . . .
H9 H 0.3652 -0.1533 0.7609 0.078 Uiso 1 1 calc R . .
C10 C 0.2802(6) -0.1053(3) 0.8456(6) 0.053(2) Uani 1 1 d . . .
H10 H 0.2240 -0.1318 0.8503 0.063 Uiso 1 1 calc R . .
C11 C 0.2789(5) -0.0525(3) 0.8923(5) 0.0377(16) Uani 1 1 d . . .
C12 C 0.1871(6) -0.0343(3) 0.9486(5) 0.0415(17) Uani 1 1 d . . .
H12A H 0.1128 -0.0379 0.9010 0.050 Uiso 1 1 calc R . .
H12B H 0.1881 -0.0587 1.0092 0.050 Uiso 1 1 calc R . .
C13 C 0.1500(6) 0.2793(3) 0.9458(6) 0.0508(19) Uani 1 1 d . . .
H13 H 0.1047 0.2850 0.8785 0.061 Uiso 1 1 calc R . .
C14 C 0.1576(7) 0.3214(3) 1.0186(7) 0.060(2) Uani 1 1 d . . .
H14 H 0.1175 0.3550 1.0017 0.072 Uiso 1 1 calc R . .
C15 C 0.2254(7) 0.3133(3) 1.1176(7) 0.066(2) Uani 1 1 d . . .
H15 H 0.2354 0.3423 1.1675 0.079 Uiso 1 1 calc R . .
C16 C 0.2788(6) 0.2618(3) 1.1425(6) 0.052(2) Uani 1 1 d . . .
H16 H 0.3215 0.2549 1.2104 0.062 Uiso 1 1 calc R . .
C17 C 0.2676(5) 0.2209(3) 1.0645(6) 0.0389(17) Uani 1 1 d . . .
C18 C 0.3230(6) 0.1642(3) 1.0824(5) 0.0404(17) Uani 1 1 d . . .
H18A H 0.4028 0.1672 1.0782 0.048 Uiso 1 1 calc R . .
H18B H 0.3199 0.1507 1.1527 0.048 Uiso 1 1 calc R . .
C19 C 0.0470(6) 0.1499(3) 1.1975(6) 0.0489(19) Uani 1 1 d . . .
H19 H 0.0941 0.1275 1.2480 0.059 Uiso 1 1 calc R . .
C20 C -0.0059(7) 0.1964(3) 1.2313(6) 0.055(2) Uani 1 1 d . . .
H20 H 0.0057 0.2053 1.3031 0.066 Uiso 1 1 calc R . .
C21 C -0.0754(7) 0.2289(3) 1.1568(6) 0.058(2) Uani 1 1 d . . .
H21 H -0.1118 0.2603 1.1776 0.069 Uiso 1 1 calc R . .
C22 C -0.0917(6) 0.2152(3) 1.0507(6) 0.0472(19) Uani 1 1 d . . .
H22 H -0.1390 0.2372 0.9997 0.057 Uiso 1 1 calc R . .
C23 C -0.0368(5) 0.1682(3) 1.0211(5) 0.0346(15) Uani 1 1 d . . .
C24 C -0.0491(5) 0.1494(3) 0.9085(5) 0.0372(16) Uani 1 1 d . . .
H24A H -0.1259 0.1351 0.8819 0.045 Uiso 1 1 calc R . .
H24B H -0.0371 0.1813 0.8649 0.045 Uiso 1 1 calc R . .
C25 C 0.0660(6) 0.1906(3) 0.6637(6) 0.0414(17) Uani 1 1 d . . .
C26 C 0.0567(7) 0.2229(3) 0.5618(5) 0.056(2) Uani 1 1 d . . .
H26A H 0.1129 0.2092 0.5249 0.085 Uiso 1 1 calc R . .
H26B H 0.0696 0.2624 0.5773 0.085 Uiso 1 1 calc R . .
H26C H -0.0184 0.2178 0.5182 0.085 Uiso 1 1 calc R . .
C27 C 0.4753(6) 0.1431(3) 0.8802(6) 0.0445(18) Uani 1 1 d . . .
C28 C 0.5934(6) 0.1580(3) 0.8607(7) 0.070(2) Uani 1 1 d . . .
H28A H 0.5905 0.1584 0.7858 0.104 Uiso 1 1 calc R . .
H28B H 0.6480 0.1304 0.8942 0.104 Uiso 1 1 calc R . .
H28C H 0.6157 0.1947 0.8898 0.104 Uiso 1 1 calc R . .
C29 C -0.1591(6) 0.0111(3) 0.7866(5) 0.0377(16) Uani 1 1 d . . .
C30 C -0.2867(5) 0.0039(3) 0.7683(6) 0.057(2) Uani 1 1 d . . .
H30A H -0.3229 0.0258 0.7077 0.086 Uiso 1 1 calc R . .
H30B H -0.3127 0.0166 0.8297 0.086 Uiso 1 1 calc R . .
H30C H -0.3058 -0.0353 0.7556 0.086 Uiso 1 1 calc R . .
Cl1 Cl 0.8282(2) 0.36515(11) 0.9272(2) 0.0847(7) Uani 1 1 d DU . .
N1 N 0.0892(5) 0.0156(2) 0.6712(4) 0.0401(13) Uani 1 1 d . . .
N2 N 0.3600(4) -0.0144(2) 0.8874(4) 0.0380(13) Uani 1 1 d . . .
N3 N 0.2052(5) 0.2298(2) 0.9669(4) 0.0388(14) Uani 1 1 d . . .
N4 N 0.0330(4) 0.1359(2) 1.0949(4) 0.0336(13) Uani 1 1 d . . .
O1 O 0.2026(3) 0.09240(17) 0.7949(3) 0.0337(10) Uani 1 1 d . . .
O2 O 0.2038(4) 0.02131(17) 0.9825(4) 0.0453(12) Uani 1 1 d . . .
O3 O 0.2667(3) 0.12540(16) 1.0054(3) 0.0346(10) Uani 1 1 d . . .
O4 O 0.0320(3) 0.10644(18) 0.9027(3) 0.0382(11) Uani 1 1 d . . .
O5 O 0.1387(4) 0.20870(18) 0.7424(4) 0.0499(13) Uani 1 1 d . . .
O6 O 0.0055(4) 0.14745(19) 0.6628(4) 0.0476(12) Uani 1 1 d . . .
O7 O 0.3985(4) 0.17802(19) 0.8580(4) 0.0485(12) Uani 1 1 d . . .
O8 O 0.4681(4) 0.09411(19) 0.9194(4) 0.0438(12) Uani 1 1 d . . .
O9 O -0.1227(4) 0.05079(18) 0.7377(3) 0.0400(11) Uani 1 1 d . . .
O10 O 0.0923(4) 0.02208(18) 1.1538(3) 0.0428(11) Uani 1 1 d . . .
O11 O 0.8511(12) 0.3413(5) 1.0324(7) 0.095(2) Uani 0.50 1 d PDU A 1
O12 O 0.7196(8) 0.3915(6) 0.9181(11) 0.099(2) Uani 0.50 1 d PDU A 1
O13 O 0.9139(9) 0.4117(4) 0.9363(11) 0.111(2) Uani 0.50 1 d PDU A 1
O14 O 0.8593(12) 0.3255(5) 0.8575(9) 0.104(2) Uani 0.50 1 d PDU A 1
O11' O 0.8907(11) 0.3658(6) 1.0316(7) 0.101(2) Uani 0.50 1 d PDU A 2
O12' O 0.7489(11) 0.4092(5) 0.8859(11) 0.106(2) Uani 0.50 1 d PDU A 2
O13' O 0.9005(10) 0.3614(6) 0.8529(9) 0.103(2) Uani 0.50 1 d PDU A 2
O14' O 0.7588(11) 0.3122(4) 0.9031(10) 0.111(2) Uani 0.50 1 d PDU A 2
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'
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
O4 Cu1 O9 92.88(18) .
O4 Cu1 O1 88.22(17) .
O9 Cu1 O1 177.44(17) .
O4 Cu1 N1 158.1(2) .
O9 Cu1 N1 97.5(2) .
O1 Cu1 N1 82.2(2) .
O4 Cu1 O6 98.45(17) .
O9 Cu1 O6 91.20(17) .
O1 Cu1 O6 86.35(17) .
N1 Cu1 O6 100.49(19) .
O8 Cu2 O2 173.03(19) .
O8 Cu2 O3 99.73(18) .
O2 Cu2 O3 83.15(17) .
O8 Cu2 N2 94.4(2) .
O2 Cu2 N2 82.8(2) .
O3 Cu2 N2 165.8(2) .
O8 Cu2 O1 99.37(17) .
O2 Cu2 O1 87.34(17) .
O3 Cu2 O1 80.55(15) .
N2 Cu2 O1 96.78(18) .
O8 Cu2 Cu3 88.59(13) .
O2 Cu2 Cu3 97.74(13) .
O3 Cu2 Cu3 42.85(12) .
N2 Cu2 Cu3 137.94(15) .
O1 Cu2 Cu3 41.62(10) .
O5 Cu3 O1 96.15(18) .
O5 Cu3 N3 94.1(2) .
O1 Cu3 N3 166.8(2) .
O5 Cu3 O3 172.80(19) .
O1 Cu3 O3 88.44(16) .
N3 Cu3 O3 80.55(19) .
O5 Cu3 O7 98.45(19) .
O1 Cu3 O7 91.39(17) .
N3 Cu3 O7 95.24(19) .
O3 Cu3 O7 86.94(16) .
O5 Cu3 Cu2 145.23(14) .
O1 Cu3 Cu2 51.75(12) .
N3 Cu3 Cu2 119.76(16) .
O3 Cu3 Cu2 41.13(12) .
O7 Cu3 Cu2 72.75(12) .
O2 Cu4 O4 97.43(18) .
O2 Cu4 O10 93.46(18) .
O4 Cu4 O10 146.61(19) .
O2 Cu4 N4 168.5(2) .
O4 Cu4 N4 82.13(19) .
O10 Cu4 N4 93.07(19) .
O2 Cu4 O3 72.46(16) .
O4 Cu4 O3 82.12(16) .
O10 Cu4 O3 131.27(16) .
N4 Cu4 O3 96.18(17) .
N1 C1 C2 122.3(7) .
C3 C2 C1 117.9(8) .
C2 C3 C4 120.7(7) .
C3 C4 C5 118.4(8) .
N1 C5 C4 121.3(7) .
N1 C5 C6 115.3(6) .
C4 C5 C6 123.4(7) .
O1 C6 C5 109.3(5) .
N2 C7 C8 122.3(7) .
C7 C8 C9 119.0(7) .
C10 C9 C8 119.2(7) .
C9 C10 C11 119.7(7) .
N2 C11 C10 120.7(6) .
N2 C11 C12 116.3(6) .
C10 C11 C12 123.0(6) .
O2 C12 C11 110.7(5) .
N3 C13 C14 122.8(7) .
C13 C14 C15 118.7(7) .
C14 C15 C16 119.4(7) .
C15 C16 C17 118.7(7) .
N3 C17 C16 121.5(6) .
N3 C17 C18 115.4(6) .
C16 C17 C18 123.1(7) .
O3 C18 C17 110.2(5) .
N4 C19 C20 122.6(7) .
C21 C20 C19 118.4(7) .
C20 C21 C22 120.2(7) .
C21 C22 C23 119.1(7) .
N4 C23 C22 121.0(6) .
N4 C23 C24 115.6(6) .
C22 C23 C24 123.5(6) .
O4 C24 C23 109.8(5) .
O6 C25 O5 125.7(6) .
O6 C25 C26 118.1(6) .
O5 C25 C26 116.1(7) .
O7 C27 O8 126.6(7) .
O7 C27 C28 118.7(6) .
O8 C27 C28 114.7(6) .
O10 C29 O9 121.9(6) 3_557
O10 C29 C30 121.1(6) 3_557
O9 C29 C30 117.0(6) .
O11' Cl1 O14 117.7(9) .
O11' Cl1 O12 111.5(9) .
O14 Cl1 O12 127.0(8) .
O11' Cl1 O13' 111.9(8) .
O14 Cl1 O13' 40.9(7) .
O12 Cl1 O13' 130.3(8) .
O11' Cl1 O12' 121.8(8) .
O14 Cl1 O12' 119.5(8) .
O12 Cl1 O12' 29.6(7) .
O13' Cl1 O12' 104.1(7) .
O11' Cl1 O11 30.6(7) .
O14 Cl1 O11 108.6(7) .
O12 Cl1 O11 103.7(7) .
O13' Cl1 O11 126.0(8) .
O12' Cl1 O11 127.8(8) .
O11' Cl1 O13 72.4(7) .
O14 Cl1 O13 105.7(7) .
O12 Cl1 O13 106.5(7) .
O13' Cl1 O13 66.0(7) .
O12' Cl1 O13 83.2(8) .
O11 Cl1 O13 103.1(7) .
O11' Cl1 O14' 111.7(7) .
O14 Cl1 O14' 61.3(7) .
O12 Cl1 O14' 83.8(8) .
O13' Cl1 O14' 101.3(7) .
O12' Cl1 O14' 103.7(7) .
O11 Cl1 O14' 81.6(7) .
O13 Cl1 O14' 167.0(8) .
C5 N1 C1 119.4(6) .
C5 N1 Cu1 112.9(4) .
C1 N1 Cu1 127.7(5) .
C11 N2 C7 119.1(6) .
C11 N2 Cu2 113.4(4) .
C7 N2 Cu2 127.1(5) .
C17 N3 C13 118.7(6) .
C17 N3 Cu3 113.9(4) .
C13 N3 Cu3 127.4(5) .
C19 N4 C23 118.7(6) .
C19 N4 Cu4 126.1(5) .
C23 N4 Cu4 115.1(4) .
C6 O1 Cu3 124.9(4) .
C6 O1 Cu1 108.4(4) .
Cu3 O1 Cu1 104.32(19) .
C6 O1 Cu2 111.8(4) .
Cu3 O1 Cu2 86.63(15) .
Cu1 O1 Cu2 120.45(19) .
C12 O2 Cu4 131.3(4) .
C12 O2 Cu2 116.5(4) .
Cu4 O2 Cu2 111.0(2) .
C18 O3 Cu2 128.6(4) .
C18 O3 Cu3 109.8(3) .
Cu2 O3 Cu3 96.02(18) .
C18 O3 Cu4 119.8(4) .
Cu2 O3 Cu4 93.12(15) .
Cu3 O3 Cu4 105.32(16) .
C24 O4 Cu1 121.7(3) .
C24 O4 Cu4 115.9(3) .
Cu1 O4 Cu4 120.6(2) .
C25 O5 Cu3 126.2(4) .
C25 O6 Cu1 128.4(4) .
C27 O7 Cu3 126.8(4) .
C27 O8 Cu2 125.1(4) .
C29 O9 Cu1 120.6(4) .
C29 O10 Cu4 134.4(4) 3_557
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O4 1.944(4) .
Cu1 O9 1.959(4) .
Cu1 O1 1.970(4) .
Cu1 N1 1.984(5) .
Cu1 O6 2.263(4) .
Cu2 O8 1.917(4) .
Cu2 O2 1.928(4) .
Cu2 O3 1.948(4) .
Cu2 N2 1.983(5) .
Cu2 O1 2.317(4) .
Cu2 Cu3 2.9448(11) .
Cu3 O5 1.931(4) .
Cu3 O1 1.959(4) .
Cu3 N3 1.997(5) .
Cu3 O3 2.014(4) .
Cu3 O7 2.318(5) .
Cu4 O2 1.912(4) .
Cu4 O4 1.951(4) .
Cu4 O10 1.954(4) .
Cu4 N4 1.965(5) .
Cu4 O3 2.390(4) .
C1 N1 1.353(8) .
C1 C2 1.372(9) .
C2 C3 1.364(11) .
C3 C4 1.379(10) .
C4 C5 1.389(9) .
C5 N1 1.325(8) .
C5 C6 1.504(9) .
C6 O1 1.436(7) .
C7 N2 1.339(8) .
C7 C8 1.359(9) .
C8 C9 1.373(10) .
C9 C10 1.358(10) .
C10 C11 1.387(9) .
C11 N2 1.337(8) .
C11 C12 1.503(9) .
C12 O2 1.387(7) .
C13 N3 1.342(8) .
C13 C14 1.358(9) .
C14 C15 1.371(10) .
C15 C16 1.380(10) .
C16 C17 1.382(9) .
C17 N3 1.336(7) .
C17 C18 1.491(8) .
C18 O3 1.412(7) .
C19 N4 1.340(8) .
C19 C20 1.383(10) .
C20 C21 1.365(10) .
C21 C22 1.378(9) .
C22 C23 1.386(9) .
C23 N4 1.358(7) .
C23 C24 1.495(8) .
C24 O4 1.419(7) .
C25 O6 1.250(8) .
C25 O5 1.262(8) .
C25 C26 1.504(9) .
C27 O7 1.223(8) .
C27 O8 1.274(8) .
C27 C28 1.528(9) .
C29 O10 1.257(7) 3_557
C29 O9 1.259(7) .
C29 C30 1.502(9) .
Cl1 O11' 1.392(8) .
Cl1 O14 1.403(8) .
Cl1 O12 1.422(8) .
Cl1 O13' 1.425(8) .
Cl1 O12' 1.433(8) .
Cl1 O11 1.439(8) .
Cl1 O13 1.492(8) .
Cl1 O14' 1.497(8) .
O10 C29 1.257(7) 3_557
