#------------------------------------------------------------------------------
#$Date: 2018-09-26 06:29:44 +0300 (Wed, 26 Sep 2018) $
#$Revision: 211175 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/33/8103334.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_8103334
loop_
_publ_author_name
'Bo Xiao'
_publ_section_title
;
 Crystal structure of
 diaquabis(m-4-hydroxyphthalato-k2O,O')bis(1,10-phenanthroline-k2N,N')dicopper(II)
 pentahydrate, [Cu(H2O)(C12H8N2)(C8H4O5)]2 · 5H2O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              149
_journal_volume                  227
_journal_year                    2012
_chemical_formula_sum            'C160 H152 Cu8 N16 O68'
_chemical_formula_weight         3895.30
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2011-09-06 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 94.180(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   20.423(4)
_cell_length_b                   12.0232(19)
_cell_length_c                   16.219(3)
_cell_measurement_reflns_used    1223
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.3152
_cell_measurement_theta_min      3.0937
_cell_volume                     3972.0(12)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0649
_diffrn_reflns_av_sigmaI/netI    0.0952
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8064
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         3.10
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.156
_exptl_absorpt_correction_T_max  0.8018
_exptl_absorpt_correction_T_min  0.7689
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2000
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.491
_refine_diff_density_min         -0.598
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         3705
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0912
_refine_ls_R_factor_gt           0.0562
_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)+(0.0493P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1162
_refine_ls_wR_factor_ref         0.1405
_reflns_number_gt                2530
_reflns_number_total             3705
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-3674.cff
_cod_data_source_block           b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               8103334
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -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
Cu1 Cu 0.48596(3) 0.20275(5) 0.65442(3) 0.0299(2) Uani 1 1 d .
N1 N 0.55245(18) 0.2971(4) 0.6054(2) 0.0344(9) Uani 1 1 d .
N2 N 0.44292(19) 0.3512(3) 0.6716(2) 0.0322(9) Uani 1 1 d .
C1 C 0.6050(2) 0.2661(5) 0.5672(3) 0.0472(14) Uani 1 1 d .
H1 H 0.6153 0.1908 0.5655 0.057 Uiso 1 1 calc R
C2 C 0.6450(3) 0.3410(7) 0.5297(3) 0.0620(19) Uani 1 1 d .
H2 H 0.6809 0.3161 0.5027 0.074 Uiso 1 1 calc R
C3 C 0.6313(3) 0.4508(7) 0.5331(3) 0.064(2) Uani 1 1 d .
H3 H 0.6584 0.5016 0.5090 0.077 Uiso 1 1 calc R
C4 C 0.5768(3) 0.4892(5) 0.5721(3) 0.0486(15) Uani 1 1 d .
C5 C 0.5376(2) 0.4068(5) 0.6071(3) 0.0387(12) Uani 1 1 d .
C6 C 0.5566(3) 0.6018(6) 0.5784(4) 0.069(2) Uani 1 1 d .
H6 H 0.5815 0.6573 0.5557 0.082 Uiso 1 1 calc R
C7 C 0.5025(4) 0.6301(5) 0.6163(3) 0.0656(19) Uani 1 1 d .
H7 H 0.4918 0.7050 0.6208 0.079 Uiso 1 1 calc R
C8 C 0.4609(3) 0.5482(5) 0.6500(3) 0.0506(15) Uani 1 1 d .
C9 C 0.4790(2) 0.4355(4) 0.6448(2) 0.0339(11) Uani 1 1 d .
C10 C 0.4021(3) 0.5694(5) 0.6854(3) 0.0641(18) Uani 1 1 d .
H10 H 0.3878 0.6424 0.6904 0.077 Uiso 1 1 calc R
C11 C 0.3654(3) 0.4847(5) 0.7126(3) 0.0545(16) Uani 1 1 d .
H11 H 0.3264 0.4996 0.7368 0.065 Uiso 1 1 calc R
C12 C 0.3866(2) 0.3745(5) 0.7041(3) 0.0433(13) Uani 1 1 d .
H12 H 0.3607 0.3166 0.7215 0.052 Uiso 1 1 calc R
C13 C 0.4138(2) 0.0619(4) 0.7637(3) 0.0296(10) Uani 1 1 d .
C14 C 0.3653(2) -0.0299(4) 0.7609(2) 0.0278(10) Uani 1 1 d .
C15 C 0.3613(2) -0.1004(4) 0.8295(3) 0.0383(12) Uani 1 1 d .
H15 H 0.3876 -0.0856 0.8774 0.046 Uiso 1 1 calc R
C16 C 0.3199(2) -0.1904(4) 0.8281(3) 0.0372(12) Uani 1 1 d .
H16 H 0.3171 -0.2339 0.8752 0.045 Uiso 1 1 calc R
C17 C 0.2821(2) -0.2160(4) 0.7557(3) 0.0337(11) Uani 1 1 d .
C18 C 0.2850(2) -0.1474(4) 0.6873(3) 0.0357(12) Uani 1 1 d .
H18 H 0.2596 -0.1644 0.6390 0.043 Uiso 1 1 calc R
C19 C 0.3248(2) -0.0545(4) 0.6891(2) 0.0284(10) Uani 1 1 d .
C20 C 0.3194(2) 0.0197(4) 0.6129(3) 0.0322(11) Uani 1 1 d .
O1 O 0.41531(15) 0.1220(3) 0.69993(17) 0.0348(8) Uani 1 1 d .
O2 O 0.45195(14) 0.0751(3) 0.82847(16) 0.0361(8) Uani 1 1 d .
O3 O 0.27955(16) 0.0981(3) 0.61170(18) 0.0435(9) Uani 1 1 d .
O4 O 0.35201(15) -0.0088(3) 0.55331(17) 0.0378(8) Uani 1 1 d .
O5 O 0.24189(18) -0.3056(3) 0.74925(19) 0.0485(10) Uani 1 1 d .
H5 H 0.2389 -0.3328 0.7952 0.073 Uiso 1 1 calc R
O6 O 0.44356(15) 0.1606(3) 0.53220(16) 0.0413(9) Uani 1 1 d .
H1W H 0.4730 0.1452 0.5023 0.062 Uiso 1 1 calc R
H2W H 0.4101 0.1185 0.5283 0.062 Uiso 1 1 d R
O7 O 0.2372(2) 0.3978(5) 0.0770(2) 0.0976(18) Uani 1 1 d .
H3W H 0.2169 0.4578 0.0640 0.146 Uiso 1 1 d R
H4W H 0.2284 0.3996 0.1274 0.146 Uiso 1 1 d R
O8 O 0.47382(16) 0.1042(3) 0.08695(18) 0.0484(9) Uani 1 1 d .
H5W H 0.4925 0.0624 0.1238 0.073 Uiso 1 1 d R
H6W H 0.4372 0.0716 0.0904 0.073 Uiso 1 1 d R
O9 O 0.1984(4) 0.1882(7) 0.4715(4) 0.067(2) Uani 0.50 1 d P
H7W H 0.2080 0.2510 0.4515 0.100 Uiso 0.50 1 d PR
H8W H 0.2157 0.1506 0.5118 0.100 Uiso 0.50 1 d PR
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'
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
O1 Cu1 N1 174.59(15) . .
O1 Cu1 O2 92.59(14) . 2_656
N1 Cu1 O2 92.80(15) . 2_656
O1 Cu1 N2 92.69(15) . .
N1 Cu1 N2 82.35(17) . .
O2 Cu1 N2 159.88(13) 2_656 .
O1 Cu1 O6 88.42(12) . .
N1 Cu1 O6 90.38(13) . .
O2 Cu1 O6 98.93(12) 2_656 .
N2 Cu1 O6 100.61(13) . .
C1 N1 C5 118.1(5) . .
C1 N1 Cu1 128.8(4) . .
C5 N1 Cu1 112.9(3) . .
C12 N2 C9 118.7(5) . .
C12 N2 Cu1 129.7(4) . .
C9 N2 Cu1 111.6(3) . .
N1 C1 C2 122.9(6) . .
N1 C1 H1 118.5 . .
C2 C1 H1 118.5 . .
C3 C2 C1 119.1(6) . .
C3 C2 H2 120.5 . .
C1 C2 H2 120.5 . .
C2 C3 C4 121.1(6) . .
C2 C3 H3 119.5 . .
C4 C3 H3 119.5 . .
C3 C4 C6 126.2(6) . .
C3 C4 C5 116.1(6) . .
C6 C4 C5 117.6(6) . .
N1 C5 C4 122.7(5) . .
N1 C5 C9 116.1(4) . .
C4 C5 C9 121.2(5) . .
C7 C6 C4 121.7(6) . .
C7 C6 H6 119.2 . .
C4 C6 H6 119.2 . .
C6 C7 C8 121.9(6) . .
C6 C7 H7 119.1 . .
C8 C7 H7 119.1 . .
C10 C8 C9 116.0(5) . .
C10 C8 C7 125.7(6) . .
C9 C8 C7 118.2(6) . .
N2 C9 C8 123.7(5) . .
N2 C9 C5 116.9(5) . .
C8 C9 C5 119.4(5) . .
C11 C10 C8 120.7(6) . .
C11 C10 H10 119.7 . .
C8 C10 H10 119.7 . .
C10 C11 C12 119.6(5) . .
C10 C11 H11 120.2 . .
C12 C11 H11 120.2 . .
N2 C12 C11 121.3(5) . .
N2 C12 H12 119.3 . .
C11 C12 H12 119.3 . .
O1 C13 O2 123.7(4) . .
O1 C13 C14 117.2(4) . .
O2 C13 C14 119.1(4) . .
C15 C14 C19 117.5(4) . .
C15 C14 C13 120.2(4) . .
C19 C14 C13 122.2(4) . .
C16 C15 C14 122.3(4) . .
C16 C15 H15 118.8 . .
C14 C15 H15 118.8 . .
C15 C16 C17 119.3(4) . .
C15 C16 H16 120.3 . .
C17 C16 H16 120.3 . .
O5 C17 C18 118.2(4) . .
O5 C17 C16 122.4(4) . .
C18 C17 C16 119.4(4) . .
C19 C18 C17 121.6(4) . .
C19 C18 H18 119.2 . .
C17 C18 H18 119.2 . .
C18 C19 C14 119.8(4) . .
C18 C19 C20 116.7(4) . .
C14 C19 C20 123.4(4) . .
O3 C20 O4 125.1(4) . .
O3 C20 C19 117.7(4) . .
O4 C20 C19 116.9(4) . .
C13 O1 Cu1 131.6(3) . .
C13 O2 Cu1 123.7(3) . 2_656
C20 O3 O9 128.8(3) . .
C17 O5 H5 109.5 . .
Cu1 O6 H1W 109.5 . .
Cu1 O6 H2W 118.3 . .
H1W O6 H2W 116.1 . .
H3W O7 H4W 94.9 . .
H5W O8 H6W 91.8 . .
O3 O9 H7W 119.5 . .
O3 O9 H8W 12.7 . .
H7W O9 H8W 132.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.930(3) .
Cu1 N1 1.980(4) .
Cu1 O2 1.997(3) 2_656
Cu1 N2 2.018(4) .
Cu1 O6 2.164(3) .
N1 C1 1.332(6) .
N1 C5 1.353(6) .
N2 C12 1.330(6) .
N2 C9 1.343(6) .
C1 C2 1.386(8) .
C1 H1 0.9300 .
C2 C3 1.351(9) .
C2 H2 0.9300 .
C3 C4 1.399(8) .
C3 H3 0.9300 .
C4 C6 1.420(9) .
C4 C5 1.417(7) .
C5 C9 1.427(7) .
C6 C7 1.347(8) .
C6 H6 0.9300 .
C7 C8 1.435(8) .
C7 H7 0.9300 .
C8 C10 1.392(8) .
C8 C9 1.409(7) .
C10 C11 1.358(8) .
C10 H10 0.9300 .
C11 C12 1.404(7) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 O1 1.263(5) .
C13 O2 1.272(5) .
C13 C14 1.482(6) .
C14 C15 1.405(6) .
C14 C19 1.410(5) .
C15 C16 1.372(6) .
C15 H15 0.9300 .
C16 C17 1.392(6) .
C16 H16 0.9300 .
C17 O5 1.354(5) .
C17 C18 1.388(6) .
C18 C19 1.379(6) .
C18 H18 0.9300 .
C19 C20 1.522(6) .
C20 O3 1.245(5) .
C20 O4 1.261(5) .
O2 Cu1 1.997(3) 2_656
O3 O9 2.922(7) .
O5 H5 0.8200 .
O6 H1W 0.8200 .
O6 H2W 0.8501 .
O7 H3W 0.8501 .
O7 H4W 0.8499 .
O8 H5W 0.8500 .
O8 H6W 0.8500 .
O9 H7W 0.8500 .
O9 H8W 0.8499 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O5 H5 O3 0.82 1.79 2.601(5) 170.9 4_546
O6 H1W O8 0.82 1.94 2.742(4) 167.1 2_655
O6 H2W O4 0.85 2.00 2.803(5) 158.3 .
O7 H3W O4 0.85 2.32 2.912(5) 127.3 4
O7 H4W O5 0.85 2.28 3.001(5) 143.4 6
O8 H5W O2 0.85 2.12 2.920(5) 156.8 5_656
O8 H6W O4 0.85 1.95 2.758(5) 158.0 6
O9 H7W O3 0.85 2.11 2.952(8) 171.5 7_556
O9 H8W O3 0.85 2.10 2.922(7) 162.2 .
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
O1 Cu1 N1 C1 -151.2(13) . .
O2 Cu1 N1 C1 24.9(4) 2_656 .
N2 Cu1 N1 C1 -174.7(4) . .
O6 Cu1 N1 C1 -74.0(4) . .
O1 Cu1 N1 C5 23.4(16) . .
O2 Cu1 N1 C5 -160.5(3) 2_656 .
N2 Cu1 N1 C5 -0.1(3) . .
O6 Cu1 N1 C5 100.6(3) . .
O1 Cu1 N2 C12 0.7(4) . .
N1 Cu1 N2 C12 178.5(4) . .
O2 Cu1 N2 C12 -104.4(5) 2_656 .
O6 Cu1 N2 C12 89.6(4) . .
O1 Cu1 N2 C9 -179.2(3) . .
N1 Cu1 N2 C9 -1.3(3) . .
O2 Cu1 N2 C9 75.8(5) 2_656 .
O6 Cu1 N2 C9 -90.3(3) . .
C5 N1 C1 C2 0.4(7) . .
Cu1 N1 C1 C2 174.8(4) . .
N1 C1 C2 C3 1.2(8) . .
C1 C2 C3 C4 -1.3(8) . .
C2 C3 C4 C6 -178.8(5) . .
C2 C3 C4 C5 -0.1(7) . .
C1 N1 C5 C4 -1.9(6) . .
Cu1 N1 C5 C4 -177.1(3) . .
C1 N1 C5 C9 176.7(4) . .
Cu1 N1 C5 C9 1.4(5) . .
C3 C4 C5 N1 1.8(6) . .
C6 C4 C5 N1 -179.4(4) . .
C3 C4 C5 C9 -176.7(4) . .
C6 C4 C5 C9 2.1(7) . .
C3 C4 C6 C7 178.9(5) . .
C5 C4 C6 C7 0.2(8) . .
C4 C6 C7 C8 -2.2(8) . .
C6 C7 C8 C10 -175.7(5) . .
C6 C7 C8 C9 1.8(8) . .
C12 N2 C9 C8 0.8(6) . .
Cu1 N2 C9 C8 -179.3(3) . .
C12 N2 C9 C5 -177.4(4) . .
Cu1 N2 C9 C5 2.5(4) . .
C10 C8 C9 N2 0.0(7) . .
C7 C8 C9 N2 -177.7(4) . .
C10 C8 C9 C5 178.2(4) . .
C7 C8 C9 C5 0.5(7) . .
N1 C5 C9 N2 -2.7(6) . .
C4 C5 C9 N2 175.9(4) . .
N1 C5 C9 C8 179.0(4) . .
C4 C5 C9 C8 -2.4(6) . .
C9 C8 C10 C11 0.0(7) . .
C7 C8 C10 C11 177.6(5) . .
C8 C10 C11 C12 -0.8(8) . .
C9 N2 C12 C11 -1.7(6) . .
Cu1 N2 C12 C11 178.5(3) . .
C10 C11 C12 N2 1.7(8) . .
O1 C13 C14 C15 179.5(4) . .
O2 C13 C14 C15 0.6(6) . .
O1 C13 C14 C19 3.7(6) . .
O2 C13 C14 C19 -175.3(4) . .
C19 C14 C15 C16 0.0(7) . .
C13 C14 C15 C16 -176.1(4) . .
C14 C15 C16 C17 2.4(8) . .
C15 C16 C17 O5 177.8(5) . .
C15 C16 C17 C18 -2.6(7) . .
O5 C17 C18 C19 179.9(4) . .
C16 C17 C18 C19 0.3(7) . .
C17 C18 C19 C14 2.2(7) . .
C17 C18 C19 C20 -174.9(4) . .
C15 C14 C19 C18 -2.3(6) . .
C13 C14 C19 C18 173.7(4) . .
C15 C14 C19 C20 174.6(4) . .
C13 C14 C19 C20 -9.5(7) . .
C18 C19 C20 O3 91.5(5) . .
C14 C19 C20 O3 -85.5(5) . .
C18 C19 C20 O4 -82.9(5) . .
C14 C19 C20 O4 100.1(5) . .
O2 C13 O1 Cu1 28.8(7) . .
C14 C13 O1 Cu1 -150.1(3) . .
N1 Cu1 O1 C13 -139.1(14) . .
O2 Cu1 O1 C13 44.8(4) 2_656 .
N2 Cu1 O1 C13 -115.8(4) . .
O6 Cu1 O1 C13 143.7(4) . .
O1 C13 O2 Cu1 6.9(6) . 2_656
C14 C13 O2 Cu1 -174.2(3) . 2_656
O4 C20 O3 O9 29.5(7) . .
C19 C20 O3 O9 -144.3(4) . .
