#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/89/2018983.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2018983
loop_
_publ_author_name
'Wu, Xiang-Wen'
'Xin, Meng-Meng'
'Ma, Jian-Ping'
'Wu, Zhen-Hua'
'Dong, Yu-Bin'
_publ_section_title
;
 The coordination chemistry of two symmetric double-armed
 oxadiazole-bridged organic ligands with copper salts
;
_journal_coeditor_code           OV3026
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              601
_journal_page_last               605
_journal_paper_doi               10.1107/S0108270113010913
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Cu4 I4 (C2 H3 N)2 (C28 H20 N4 O5)2]'
_chemical_formula_moiety         'C60 H46 Cu4 I4 N10 O10'
_chemical_formula_sum            'C60 H46 Cu4 I4 N10 O10'
_chemical_formula_weight         1828.82
_chemical_name_systematic
;Diacetonitriledi-μ₃-iodido-di-μ₂-iodido-bis(4-methyl-{5-[5-methyl-2-(pyridin-4-ylcarbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl}phenyl
pyridine-4-carboxylate)tetracopper(I)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                96.709(4)
_cell_angle_beta                 102.843(4)
_cell_angle_gamma                108.464(4)
_cell_formula_units_Z            1
_cell_length_a                   9.260(2)
_cell_length_b                   12.597(3)
_cell_length_c                   15.623(4)
_cell_measurement_reflns_used    2048
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      22.504
_cell_measurement_theta_min      2.412
_cell_volume                     1650.4(7)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008), POV-ray (Cason, 2003) and DIAMOND
(Brandenburg, 2009)
;
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0252
_diffrn_reflns_av_sigmaI/netI    0.0570
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8387
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    3.204
_exptl_absorpt_correction_T_max  0.8562
_exptl_absorpt_correction_T_min  0.6119
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.840
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.817
_refine_diff_density_min         -0.442
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         5713
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0453
_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)+(0.0458P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0943
_refine_ls_wR_factor_ref         0.1038
_reflns_number_gt                4168
_reflns_number_total             5713
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ov3026.cif
_cod_data_source_block           II
_cod_original_cell_volume        1650.6(7)
_cod_database_code               2018983
_cod_database_fobs_code          2018983
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
C C1 0.9617(8) 0.6776(6) 0.0882(5) 0.073(2) Uani d . 1 1
H H1 0.9583 0.6166 0.0471 0.087 Uiso calc R 1 1
C C2 1.1085(7) 0.7516(6) 0.1438(5) 0.078(2) Uani d . 1 1
H H2 1.2007 0.7381 0.1412 0.094 Uiso calc R 1 1
C C3 1.1151(6) 0.8435(5) 0.2013(4) 0.0435(15) Uani d . 1 1
C C4 0.9796(7) 0.8580(6) 0.2062(4) 0.0582(18) Uani d . 1 1
H H4 0.9807 0.9197 0.2457 0.070 Uiso calc R 1 1
C C5 0.8375(7) 0.7788(6) 0.1509(4) 0.064(2) Uani d . 1 1
H H5 0.7438 0.7882 0.1557 0.077 Uiso calc R 1 1
C C6 1.2743(6) 0.9201(5) 0.2605(4) 0.0441(15) Uani d . 1 1
C C7 1.4026(6) 1.0930(5) 0.3665(4) 0.0382(14) Uani d . 1 1
C C8 1.5275(7) 1.1676(5) 0.3451(4) 0.0442(15) Uani d . 1 1
H H8 1.5261 1.1689 0.2855 0.053 Uiso calc R 1 1
C C9 1.6555(7) 1.2409(5) 0.4137(4) 0.0475(15) Uani d . 1 1
H H9 1.7414 1.2903 0.3996 0.057 Uiso calc R 1 1
C C10 1.6583(6) 1.2422(5) 0.5023(4) 0.0439(15) Uani d . 1 1
C C11 1.7980(7) 1.3248(5) 0.5778(4) 0.0622(19) Uani d . 1 1
H H11A 1.8506 1.2824 0.6118 0.093 Uiso calc R 1 1
H H11B 1.7603 1.3683 0.6162 0.093 Uiso calc R 1 1
H H11C 1.8709 1.3755 0.5527 0.093 Uiso calc R 1 1
C C12 1.5301(6) 1.1664(5) 0.5217(4) 0.0404(14) Uani d . 1 1
H H12 1.5307 1.1666 0.5813 0.049 Uiso calc R 1 1
C C13 1.4007(6) 1.0902(5) 0.4548(4) 0.0387(14) Uani d . 1 1
C C14 1.2701(6) 1.0114(5) 0.4782(4) 0.0382(14) Uani d . 1 1
C C15 1.1444(6) 0.9331(5) 0.5667(4) 0.0378(13) Uani d . 1 1
C C16 1.1188(6) 0.9110(5) 0.6532(3) 0.0378(13) Uani d . 1 1
C C17 1.2406(7) 0.9653(5) 0.7316(4) 0.0468(15) Uani d . 1 1
H H17 1.3358 1.0170 0.7287 0.056 Uiso calc R 1 1
C C18 1.2214(8) 0.9433(6) 0.8139(4) 0.0563(17) Uani d . 1 1
C C19 1.3567(9) 0.9998(8) 0.8978(5) 0.099(3) Uani d . 1 1
H H19A 1.3155 1.0043 0.9488 0.148 Uiso calc R 1 1
H H19B 1.4162 1.0754 0.8926 0.148 Uiso calc R 1 1
H H19C 1.4246 0.9556 0.9053 0.148 Uiso calc R 1 1
C C20 1.0785(8) 0.8694(6) 0.8174(4) 0.064(2) Uani d . 1 1
H H20 1.0638 0.8554 0.8725 0.077 Uiso calc R 1 1
C C21 0.9559(7) 0.8154(5) 0.7402(4) 0.0552(18) Uani d . 1 1
H H21 0.8596 0.7657 0.7435 0.066 Uiso calc R 1 1
C C22 0.9775(6) 0.8356(5) 0.6590(4) 0.0398(14) Uani d . 1 1
C C23 0.8430(7) 0.6764(5) 0.5428(4) 0.0487(16) Uani d . 1 1
C C24 0.7189(7) 0.6311(5) 0.4547(4) 0.0427(14) Uani d . 1 1
C C25 0.6337(8) 0.5165(6) 0.4302(4) 0.066(2) Uani d . 1 1
H H25 0.6510 0.4679 0.4685 0.080 Uiso calc R 1 1
C C26 0.5222(9) 0.4739(6) 0.3484(4) 0.072(2) Uani d . 1 1
H H26 0.4646 0.3958 0.3328 0.087 Uiso calc R 1 1
C C27 0.5750(7) 0.6496(5) 0.3157(4) 0.0566(18) Uani d . 1 1
H H27 0.5554 0.6968 0.2766 0.068 Uiso calc R 1 1
C C28 0.6887(7) 0.6984(6) 0.3972(4) 0.0575(18) Uani d . 1 1
H H28 0.7437 0.7768 0.4121 0.069 Uiso calc R 1 1
C C29 -0.0016(9) 0.4369(7) 0.1978(5) 0.070(2) Uani d . 1 1
C C30 -0.1524(9) 0.4270(9) 0.2189(6) 0.124(4) Uani d . 1 1
H H30A -0.1345 0.4428 0.2828 0.185 Uiso calc R 1 1
H H30B -0.2273 0.3510 0.1943 0.185 Uiso calc R 1 1
H H30C -0.1935 0.4808 0.1935 0.185 Uiso calc R 1 1
Cu Cu1 0.61992(8) 0.59952(7) -0.00532(5) 0.0504(2) Uani d . 1 1
Cu Cu2 0.32599(9) 0.46142(7) 0.16747(5) 0.0577(2) Uani d . 1 1
I I1 0.63518(5) 0.73364(4) -0.12381(3) 0.05890(16) Uani d . 1 1
I I2 0.37871(5) 0.60721(3) 0.05724(3) 0.04790(14) Uani d . 1 1
N N1 0.8283(5) 0.6913(4) 0.0923(3) 0.0485(13) Uani d . 1 1
N N2 1.1401(5) 0.9364(4) 0.4280(3) 0.0483(13) Uani d . 1 1
N N3 1.0559(5) 0.8835(4) 0.4861(3) 0.0503(13) Uani d . 1 1
N N4 0.4931(6) 0.5385(4) 0.2911(3) 0.0515(14) Uani d . 1 1
N N5 0.1113(7) 0.4465(5) 0.1829(4) 0.0656(16) Uani d . 1 1
O O1 1.2817(4) 1.0159(3) 0.5673(2) 0.0382(9) Uani d . 1 1
O O2 0.9247(6) 0.6263(4) 0.5744(3) 0.0799(16) Uani d . 1 1
O O3 0.8535(4) 0.7809(3) 0.5805(2) 0.0404(9) Uani d . 1 1
O O4 1.2693(4) 1.0209(3) 0.2971(2) 0.0442(10) Uani d . 1 1
O O5 1.3878(5) 0.8942(4) 0.2758(3) 0.0699(14) Uani d . 1 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N1 C1 C2 . . 122.1(6)
N1 C1 H1 . . 118.9
C2 C1 H1 . . 118.9
C3 C2 C1 . . 119.3(6)
C3 C2 H2 . . 120.3
C1 C2 H2 . . 120.3
C4 C3 C2 . . 118.9(5)
C4 C3 C6 . . 123.2(6)
C2 C3 C6 . . 117.8(6)
C3 C4 C5 . . 118.6(6)
C3 C4 H4 . . 120.7
C5 C4 H4 . . 120.7
N1 C5 C4 . . 123.6(6)
N1 C5 H5 . . 118.2
C4 C5 H5 . . 118.2
O5 C6 O4 . . 124.4(5)
O5 C6 C3 . . 124.5(6)
O4 C6 C3 . . 111.1(5)
C8 C7 C13 . . 121.8(5)
C8 C7 O4 . . 119.3(5)
C13 C7 O4 . . 118.9(5)
C7 C8 C9 . . 118.9(6)
C7 C8 H8 . . 120.5
C9 C8 H8 . . 120.5
C10 C9 C8 . . 121.4(6)
C10 C9 H9 . . 119.3
C8 C9 H9 . . 119.3
C9 C10 C12 . . 118.3(5)
C9 C10 C11 . . 121.3(5)
C12 C10 C11 . . 120.4(6)
C10 C11 H11A . . 109.5
C10 C11 H11B . . 109.5
H11A C11 H11B . . 109.5
C10 C11 H11C . . 109.5
H11A C11 H11C . . 109.5
H11B C11 H11C . . 109.5
C10 C12 C13 . . 122.0(5)
C10 C12 H12 . . 119.0
C13 C12 H12 . . 119.0
C7 C13 C12 . . 117.6(5)
C7 C13 C14 . . 122.2(5)
C12 C13 C14 . . 120.2(5)
N2 C14 O1 . . 112.6(5)
N2 C14 C13 . . 130.3(5)
O1 C14 C13 . . 117.1(4)
N3 C15 O1 . . 112.3(5)
N3 C15 C16 . . 129.8(5)
O1 C15 C16 . . 117.9(4)
C22 C16 C17 . . 118.8(5)
C22 C16 C15 . . 121.6(5)
C17 C16 C15 . . 119.6(5)
C18 C17 C16 . . 120.8(6)
C18 C17 H17 . . 119.6
C16 C17 H17 . . 119.6
C20 C18 C17 . . 118.8(5)
C20 C18 C19 . . 121.2(6)
C17 C18 C19 . . 119.9(6)
C18 C19 H19A . . 109.5
C18 C19 H19B . . 109.5
H19A C19 H19B . . 109.5
C18 C19 H19C . . 109.5
H19A C19 H19C . . 109.5
H19B C19 H19C . . 109.5
C18 C20 C21 . . 121.2(6)
C18 C20 H20 . . 119.4
C21 C20 H20 . . 119.4
C22 C21 C20 . . 119.5(6)
C22 C21 H21 . . 120.2
C20 C21 H21 . . 120.2
C21 C22 C16 . . 120.8(5)
C21 C22 O3 . . 119.7(5)
C16 C22 O3 . . 119.4(5)
O2 C23 O3 . . 124.3(5)
O2 C23 C24 . . 123.9(6)
O3 C23 C24 . . 111.8(6)
C28 C24 C25 . . 118.2(5)
C28 C24 C23 . . 122.8(5)
C25 C24 C23 . . 119.0(6)
C24 C25 C26 . . 119.4(6)
C24 C25 H25 . . 120.3
C26 C25 H25 . . 120.3
N4 C26 C25 . . 123.0(6)
N4 C26 H26 . . 118.5
C25 C26 H26 . . 118.5
N4 C27 C28 . . 122.9(6)
N4 C27 H27 . . 118.6
C28 C27 H27 . . 118.6
C24 C28 C27 . . 119.4(6)
C24 C28 H28 . . 120.3
C27 C28 H28 . . 120.3
N5 C29 C30 . . 178.6(10)
C29 C30 H30A . . 109.5
C29 C30 H30B . . 109.5
H30A C30 H30B . . 109.5
C29 C30 H30C . . 109.5
H30A C30 H30C . . 109.5
H30B C30 H30C . . 109.5
N1 Cu1 I2 . 2_665 108.43(15)
N1 Cu1 I1 . . 100.39(14)
I2 Cu1 I1 2_665 . 116.89(3)
N1 Cu1 I2 . . 108.77(15)
I2 Cu1 I2 2_665 . 115.49(3)
I1 Cu1 I2 . . 105.64(3)
N1 Cu1 Cu2 . 2_665 111.69(15)
I2 Cu1 Cu2 2_665 2_665 59.19(3)
I1 Cu1 Cu2 . 2_665 58.17(3)
I2 Cu1 Cu2 . 2_665 138.45(3)
N1 Cu1 Cu1 . 2_665 126.70(15)
I2 Cu1 Cu1 2_665 2_665 57.96(3)
I1 Cu1 Cu1 . 2_665 132.53(4)
I2 Cu1 Cu1 . 2_665 57.53(3)
Cu2 Cu1 Cu1 2_665 2_665 102.95(4)
N5 Cu2 N4 . . 108.2(2)
N5 Cu2 I1 . 2_665 114.74(18)
N4 Cu2 I1 . 2_665 104.17(16)
N5 Cu2 I2 . . 105.38(17)
N4 Cu2 I2 . . 107.49(15)
I1 Cu2 I2 2_665 . 116.48(4)
N5 Cu2 Cu1 . 2_665 123.96(16)
N4 Cu2 Cu1 . 2_665 127.77(15)
I1 Cu2 Cu1 2_665 2_665 58.75(3)
I2 Cu2 Cu1 . 2_665 58.19(3)
Cu2 I1 Cu1 2_665 . 63.08(3)
Cu1 I2 Cu1 2_665 . 64.51(3)
Cu1 I2 Cu2 2_665 . 62.61(3)
Cu1 I2 Cu2 . . 110.35(3)
C1 N1 C5 . . 117.3(5)
C1 N1 Cu1 . . 120.8(4)
C5 N1 Cu1 . . 120.8(4)
C14 N2 N3 . . 106.5(4)
C15 N3 N2 . . 105.8(4)
C26 N4 C27 . . 117.2(5)
C26 N4 Cu2 . . 118.9(4)
C27 N4 Cu2 . . 123.9(4)
C29 N5 Cu2 . . 174.4(6)
C15 O1 C14 . . 102.8(4)
C23 O3 C22 . . 116.1(5)
C6 O4 C7 . . 117.1(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 N1 . 1.315(8) ?
C1 C2 . 1.398(8) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.356(8) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.341(8) ?
C3 C6 . 1.499(7) ?
C4 C5 . 1.390(8) ?
C4 H4 . 0.9300 ?
C5 N1 . 1.316(8) ?
C5 H5 . 0.9300 ?
C6 O5 . 1.179(7) ?
C6 O4 . 1.348(7) ?
C7 C8 . 1.375(7) ?
C7 C13 . 1.389(7) ?
C7 O4 . 1.410(6) ?
C8 C9 . 1.384(8) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.378(8) ?
C9 H9 . 0.9300 ?
C10 C12 . 1.386(7) ?
C10 C11 . 1.525(7) ?
C11 H11A . 0.9600 ?
C11 H11B . 0.9600 ?
C11 H11C . 0.9600 ?
C12 C13 . 1.389(7) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.450(7) ?
C14 N2 . 1.282(6) ?
C14 O1 . 1.365(6) ?
C15 N3 . 1.297(6) ?
C15 O1 . 1.363(6) ?
C15 C16 . 1.465(7) ?
C16 C22 . 1.382(7) ?
C16 C17 . 1.394(7) ?
C17 C18 . 1.384(8) ?
C17 H17 . 0.9300 ?
C18 C20 . 1.372(9) ?
C18 C19 . 1.510(8) ?
C19 H19A . 0.9600 ?
C19 H19B . 0.9600 ?
C19 H19C . 0.9600 ?
C20 C21 . 1.385(8) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.368(8) ?
C21 H21 . 0.9300 ?
C22 O3 . 1.404(6) ?
C23 O2 . 1.193(7) ?
C23 O3 . 1.342(7) ?
C23 C24 . 1.496(8) ?
C24 C28 . 1.348(8) ?
C24 C25 . 1.367(8) ?
C25 C26 . 1.374(8) ?
C25 H25 . 0.9300 ?
C26 N4 . 1.319(8) ?
C26 H26 . 0.9300 ?
C27 N4 . 1.324(7) ?
C27 C28 . 1.385(8) ?
C27 H27 . 0.9300 ?
C28 H28 . 0.9300 ?
C29 N5 . 1.095(8) ?
C29 C30 . 1.476(11) ?
C30 H30A . 0.9600 ?
C30 H30B . 0.9600 ?
C30 H30C . 0.9600 ?
Cu1 N1 . 2.062(4) y
Cu1 I2 2_665 2.6406(11) y
Cu1 I1 . 2.6452(10) y
Cu1 I2 . 2.6532(10) y
Cu1 Cu2 2_665 2.7589(13) ?
Cu1 Cu1 2_665 2.8252(16) ?
Cu2 N5 . 2.007(6) y
Cu2 N4 . 2.085(5) y
Cu2 I1 2_665 2.6287(12) y
Cu2 I2 . 2.6688(10) y
Cu2 Cu1 2_665 2.7589(13) ?
I1 Cu2 2_665 2.6287(12) ?
I2 Cu1 2_665 2.6406(11) ?
N2 N3 . 1.415(6) ?
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
N1 C1 C2 C3 . . -2.7(12)
C1 C2 C3 C4 . . 2.9(11)
C6 C3 C4 C5 . . -177.1(6)
C4 C3 C6 O5 . . 158.3(7)
C2 C3 C6 O5 . . -18.0(10)
C4 C3 C6 O4 . . -19.1(8)
C2 C3 C6 O4 . . 164.7(6)
O4 C7 C8 C9 . . 177.8(5)
O4 C7 C13 C12 . . -176.7(5)
O4 C7 C13 C14 . . 3.4(8)
N3 C15 C16 C22 . . -7.1(10)
O1 C15 C16 C22 . . 174.4(5)
N3 C15 C16 C17 . . 171.5(6)
O1 C15 C16 C17 . . -6.9(8)
C15 C16 C17 C18 . . -177.9(6)
C16 C17 C18 C19 . . 177.8(6)
O2 C23 C24 C28 . . -143.0(7)
O3 C23 C24 C28 . . 35.5(8)
O2 C23 C24 C25 . . 36.0(10)
O3 C23 C24 C25 . . -145.6(6)
N1 Cu1 I1 Cu2 . 2_665 109.17(16)
I2 Cu1 I1 Cu2 2_665 2_665 -7.79(3)
I2 Cu1 I1 Cu2 . 2_665 -137.81(3)
Cu1 Cu1 I1 Cu2 2_665 2_665 -77.79(7)
N1 Cu1 I2 Cu1 . 2_665 -122.13(16)
I1 Cu1 I2 Cu1 . 2_665 130.83(4)
Cu2 Cu1 I2 Cu1 2_665 2_665 71.49(5)
N1 Cu1 I2 Cu2 . . -78.22(16)
I2 Cu1 I2 Cu2 2_665 . 43.91(4)
I1 Cu1 I2 Cu2 . . 174.74(2)
Cu2 Cu1 I2 Cu2 2_665 . 115.40(5)
Cu1 Cu1 I2 Cu2 2_665 . 43.91(4)
N5 Cu2 I2 Cu1 . 2_665 -120.74(17)
N4 Cu2 I2 Cu1 . 2_665 124.07(16)
I1 Cu2 I2 Cu1 2_665 2_665 7.72(3)
N5 Cu2 I2 Cu1 . . -165.57(17)
N4 Cu2 I2 Cu1 . . 79.24(16)
I1 Cu2 I2 Cu1 2_665 . -37.11(4)
Cu1 Cu2 I2 Cu1 2_665 . -44.83(3)
C2 C1 N1 Cu1 . . 168.6(6)
C4 C5 N1 Cu1 . . -166.4(5)
I2 Cu1 N1 C1 2_665 . 36.0(6)
I1 Cu1 N1 C1 . . -87.1(5)
I2 Cu1 N1 C1 . . 162.3(5)
Cu2 Cu1 N1 C1 2_665 . -27.3(6)
Cu1 Cu1 N1 C1 2_665 . 99.3(5)
I2 Cu1 N1 C5 2_665 . -156.1(5)
I1 Cu1 N1 C5 . . 80.9(5)
I2 Cu1 N1 C5 . . -29.7(5)
Cu2 Cu1 N1 C5 2_665 . 140.6(5)
Cu1 Cu1 N1 C5 2_665 . -92.7(5)
C16 C15 N3 N2 . . -178.2(6)
C25 C26 N4 Cu2 . . 177.9(6)
N5 Cu2 N4 C26 . . 85.9(6)
I1 Cu2 N4 C26 2_665 . -36.6(6)
I2 Cu2 N4 C26 . . -160.8(5)
Cu1 Cu2 N4 C26 2_665 . -97.9(5)
N5 Cu2 N4 C27 . . -95.2(6)
I1 Cu2 N4 C27 2_665 . 142.3(5)
I2 Cu2 N4 C27 . . 18.1(6)
Cu1 Cu2 N4 C27 2_665 . 81.0(6)
C16 C15 O1 C14 . . 177.9(5)
O2 C23 O3 C22 . . 4.7(9)
C24 C23 O3 C22 . . -173.7(5)
C21 C22 O3 C23 . . -86.2(7)
C16 C22 O3 C23 . . 95.1(6)
O5 C6 O4 C7 . . -8.5(9)
C3 C6 O4 C7 . . 168.9(4)
C8 C7 O4 C6 . . 86.8(7)
C13 C7 O4 C6 . . -96.1(6)
