#------------------------------------------------------------------------------
#$Date: 2018-09-24 09:49:13 +0300 (Mon, 24 Sep 2018) $
#$Revision: 211137 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/39/1543958.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_1543958
loop_
_publ_author_name
'Fatih Semerci'
'Okan Zafer Yesilel'
'Halis Olmez'
'Orhan Buyukgungor'
_publ_section_title
;
 Supramolecular assemblies of copper(II)-pyridine-2,3-dicarboxylate
 complexes with N-donor ligands and clustered water molecules
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              407
_journal_page_last               417
_journal_paper_doi               10.1016/j.ica.2013.10.006
_journal_volume                  409B
_journal_year                    2014
_chemical_formula_sum            'C34 H50 Cu2 N10 O14'
_chemical_formula_weight         949.92
_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
_cell_angle_alpha                93.694(7)
_cell_angle_beta                 102.311(7)
_cell_angle_gamma                98.785(7)
_cell_formula_units_Z            1
_cell_length_a                   9.9011(8)
_cell_length_b                   9.9889(8)
_cell_length_c                   11.0849(10)
_cell_measurement_reflns_used    36254
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.12
_cell_measurement_theta_min      1.89
_cell_volume                     1053.18(16)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_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  0.0460
_diffrn_reflns_av_sigmaI/netI    0.0368
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            14309
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    1.09
_exptl_absorpt_correction_T_max  0.8443
_exptl_absorpt_correction_T_min  0.5394
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             494
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.297
_exptl_crystal_size_min          0.210
_refine_diff_density_max         0.445
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         4366
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0382
_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)+(0.0399P)²+0.4274P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0902
_refine_ls_wR_factor_ref         0.0932
_reflns_number_gt                3863
_reflns_number_total             4366
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2014-409B--407-417-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_journal_paper_doi' value
'http://dx.doi.org/10.1016/j.ica.2013.10.006' was changed to
'10.1016/j.ica.2013.10.006'.

Automatic conversion script
Id: cif_fix_values 6433 2018-09-21 13:16:33Z andrius 
;
_cod_original_cell_volume        1053.18(15)
_cod_database_code               1543958
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 0.2951(3) 0.0743(3) 0.2796(3) 0.0459(6) Uani 1 1 d . . .
H1 H 0.2983 0.0769 0.1966 0.055 Uiso 1 1 calc R . .
C2 C 0.1759(3) 0.0085(3) 0.3103(3) 0.0498(7) Uani 1 1 d . . .
H2 H 0.0981 -0.0306 0.2485 0.060 Uiso 1 1 calc R . .
C3 C 0.1733(3) 0.0016(3) 0.4323(3) 0.0430(6) Uani 1 1 d . . .
H3 H 0.0932 -0.0426 0.4534 0.052 Uiso 1 1 calc R . .
C4 C 0.2895(2) 0.0599(2) 0.5258(2) 0.0335(5) Uani 1 1 d . . .
C5 C 0.4042(2) 0.1275(2) 0.4881(2) 0.0310(5) Uani 1 1 d . . .
C6 C 0.2805(2) 0.0443(2) 0.6589(2) 0.0363(5) Uani 1 1 d . . .
C7 C 0.5369(2) 0.2037(2) 0.5756(2) 0.0338(5) Uani 1 1 d . . .
C8 C 0.8603(3) 0.3181(3) 0.2679(3) 0.0521(7) Uani 1 1 d . . .
H8 H 0.8554 0.2329 0.2266 0.063 Uiso 1 1 calc R . .
C9 C 0.9601(3) 0.4269(3) 0.2726(3) 0.0578(8) Uani 1 1 d . . .
H9 H 1.0364 0.4307 0.2358 0.069 Uiso 1 1 calc R . .
C10 C 0.8095(2) 0.4833(3) 0.3778(2) 0.0400(6) Uani 1 1 d . . .
C11 C 1.0088(3) 0.6687(3) 0.3683(4) 0.0712(11) Uani 1 1 d . . .
H11A H 0.9506 0.7320 0.3347 0.107 Uiso 1 1 calc R . .
H11B H 1.0884 0.6742 0.3311 0.107 Uiso 1 1 calc R . .
H11C H 1.0404 0.6904 0.4564 0.107 Uiso 1 1 calc R . .
C12 C 0.7394(3) 0.5659(3) 0.4518(3) 0.0589(8) Uani 1 1 d . . .
H12A H 0.6981 0.6307 0.4020 0.088 Uiso 1 1 calc R . .
H12B H 0.8069 0.6133 0.5228 0.088 Uiso 1 1 calc R . .
H12C H 0.6675 0.5077 0.4788 0.088 Uiso 1 1 calc R . .
C13 C 0.5367(3) 0.1890(3) 0.0617(3) 0.0493(7) Uani 1 1 d . . .
H13 H 0.5952 0.1243 0.0631 0.059 Uiso 1 1 calc R . .
C14 C 0.4653(3) 0.2339(4) -0.0409(3) 0.0560(8) Uani 1 1 d . . .
H14 H 0.4653 0.2064 -0.1227 0.067 Uiso 1 1 calc R . .
C15 C 0.4207(3) 0.3374(3) 0.1224(2) 0.0419(6) Uani 1 1 d . . .
C16 C 0.2974(4) 0.3992(4) -0.0823(3) 0.0699(10) Uani 1 1 d . . .
H16A H 0.2112 0.3941 -0.0550 0.105 Uiso 1 1 calc R . .
H16B H 0.2785 0.3577 -0.1661 0.105 Uiso 1 1 calc R . .
H16C H 0.3398 0.4928 -0.0788 0.105 Uiso 1 1 calc R . .
C17 C 0.3613(4) 0.4273(4) 0.2008(3) 0.0682(9) Uani 1 1 d . . .
H17A H 0.3713 0.3971 0.2823 0.102 Uiso 1 1 calc R . .
H17B H 0.2636 0.4242 0.1644 0.102 Uiso 1 1 calc R . .
H17C H 0.4103 0.5190 0.2068 0.102 Uiso 1 1 calc R . .
N1 N 0.4065(2) 0.1346(2) 0.36815(19) 0.0356(4) Uani 1 1 d . . .
N2 N 0.7664(2) 0.3539(2) 0.3346(2) 0.0389(5) Uani 1 1 d . . .
N3 N 0.9283(2) 0.5308(2) 0.3418(2) 0.0482(6) Uani 1 1 d . . .
N4 N 0.5087(2) 0.2548(2) 0.16404(19) 0.0386(5) Uani 1 1 d . . .
N5 N 0.3930(2) 0.3274(3) -0.0015(2) 0.0478(6) Uani 1 1 d . . .
O1 O 0.63168(16) 0.25743(18) 0.52311(16) 0.0407(4) Uani 1 1 d . . .
O2 O 0.54520(19) 0.2108(2) 0.68760(17) 0.0505(5) Uani 1 1 d . . .
O3 O 0.3314(2) -0.04953(19) 0.71011(18) 0.0476(4) Uani 1 1 d . . .
O4 O 0.2140(2) 0.1218(2) 0.7050(2) 0.0588(5) Uani 1 1 d . . .
Cu1 Cu 0.58927(3) 0.23132(3) 0.34069(3) 0.03311(10) Uani 1 1 d . . .
O5 O 0.1581(3) 0.0202(4) 0.9268(3) 0.0940(9) Uani 1 1 d DU . .
H5A H 0.117(6) 0.083(4) 0.942(5) 0.141 Uiso 1 1 d D . .
H5B H 0.188(6) 0.036(6) 0.864(4) 0.141 Uiso 1 1 d D . .
O6 O 0.7898(3) 0.2874(4) 0.8770(4) 0.1104(11) Uani 1 1 d DU . .
H6A H 0.722(5) 0.278(5) 0.813(4) 0.166 Uiso 1 1 d D . .
H6B H 0.792(5) 0.208(3) 0.896(6) 0.166 Uiso 1 1 d D . .
O7 O 1.0285(3) 0.2074(4) 0.0386(4) 0.1011(10) Uani 1 1 d DU . .
H7A H 0.958(4) 0.153(4) 0.038(6) 0.152 Uiso 1 1 d D . .
H7B H 1.013(5) 0.279(4) 0.012(6) 0.152 Uiso 1 1 d 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'
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
_geom_angle_publ_flag
N1 C1 C2 120.8(2) . . ?
N1 C1 H1 119.6 . . ?
C2 C1 H1 119.6 . . ?
C3 C2 C1 119.3(2) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C2 C3 C4 120.8(2) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C5 C4 C3 116.7(2) . . ?
C5 C4 C6 125.5(2) . . ?
C3 C4 C6 117.8(2) . . ?
N1 C5 C4 122.4(2) . . ?
N1 C5 C7 113.00(19) . . ?
C4 C5 C7 124.5(2) . . ?
O4 C6 O3 125.3(2) . . ?
O4 C6 C4 116.4(2) . . ?
O3 C6 C4 118.1(2) . . ?
O2 C7 O1 125.4(2) . . ?
O2 C7 C5 119.4(2) . . ?
O1 C7 C5 115.2(2) . . ?
C9 C8 N2 108.6(3) . . ?
C9 C8 H8 125.7 . . ?
N2 C8 H8 125.7 . . ?
C8 C9 N3 107.1(2) . . ?
C8 C9 H9 126.5 . . ?
N3 C9 H9 126.5 . . ?
N2 C10 N3 109.5(2) . . ?
N2 C10 C12 126.2(2) . . ?
N3 C10 C12 124.2(2) . . ?
N3 C11 H11A 109.5 . . ?
N3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 N4 108.6(3) . . ?
C14 C13 H13 125.7 . . ?
N4 C13 H13 125.7 . . ?
C13 C14 N5 106.6(3) . . ?
C13 C14 H14 126.7 . . ?
N5 C14 H14 126.7 . . ?
N4 C15 N5 109.8(2) . . ?
N4 C15 C17 125.3(3) . . ?
N5 C15 C17 124.9(3) . . ?
N5 C16 H16A 109.5 . . ?
N5 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N5 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C5 N1 C1 119.9(2) . . ?
C5 N1 Cu1 113.84(15) . . ?
C1 N1 Cu1 126.20(18) . . ?
C10 N2 C8 107.1(2) . . ?
C10 N2 Cu1 129.16(18) . . ?
C8 N2 Cu1 123.35(18) . . ?
C10 N3 C9 107.8(2) . . ?
C10 N3 C11 127.1(3) . . ?
C9 N3 C11 125.1(3) . . ?
C15 N4 C13 106.8(2) . . ?
C15 N4 Cu1 127.12(18) . . ?
C13 N4 Cu1 126.04(19) . . ?
C15 N5 C14 108.2(2) . . ?
C15 N5 C16 126.4(3) . . ?
C14 N5 C16 125.4(3) . . ?
C7 O1 Cu1 116.70(14) . . ?
C6 O3 Cu1 138.61(18) . 2_656 ?
O1 Cu1 N4 160.40(8) . . y
O1 Cu1 N2 92.02(8) . . y
N4 Cu1 N2 90.25(9) . . y
O1 Cu1 N1 81.10(7) . . y
N4 Cu1 N1 93.75(8) . . y
N2 Cu1 N1 169.78(8) . . y
O1 Cu1 O3 106.85(8) . 2_656 y
N4 Cu1 O3 92.48(8) . 2_656 y
N2 Cu1 O3 92.75(8) . 2_656 y
N1 Cu1 O3 96.47(8) . 2_656 y
H5A O5 H5B 107(3) . . ?
H6A O6 H6B 104(3) . . ?
H7A O7 H7B 114(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.342(3) . ?
C1 C2 1.380(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.363(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.395(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.388(3) . ?
C4 C6 1.513(3) . ?
C5 N1 1.341(3) . ?
C5 C7 1.517(3) . ?
C6 O4 1.242(3) . ?
C6 O3 1.243(3) . ?
C7 O2 1.223(3) . ?
C7 O1 1.275(3) . ?
C8 C9 1.342(4) . ?
C8 N2 1.377(3) . ?
C8 H8 0.9300 . ?
C9 N3 1.366(4) . ?
C9 H9 0.9300 . ?
C10 N2 1.322(3) . ?
C10 N3 1.350(3) . ?
C10 C12 1.472(4) . ?
C11 N3 1.459(4) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.347(4) . ?
C13 N4 1.374(3) . ?
C13 H13 0.9300 . ?
C14 N5 1.363(4) . ?
C14 H14 0.9300 . ?
C15 N4 1.323(3) . ?
C15 N5 1.337(3) . ?
C15 C17 1.479(4) . ?
C16 N5 1.463(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
N1 Cu1 2.0102(19) . y
N2 Cu1 1.997(2) . y
N4 Cu1 1.994(2) . y
O1 Cu1 1.9672(17) . y
O3 Cu1 2.1737(18) 2_656 y
Cu1 O3 2.1737(18) 2_656 y
O5 H5A 0.824(19) . ?
O5 H5B 0.828(19) . ?
O6 H6A 0.850(19) . ?
O6 H6B 0.841(19) . ?
O7 H7A 0.810(19) . ?
O7 H7B 0.815(19) . ?
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 H5A O7 0.824(19) 2.01(2) 2.791(5) 159(5) 1_456
O5 H5B O4 0.828(19) 2.05(3) 2.848(4) 160(5) .
O5 H5B O3 0.828(19) 2.62(3) 3.332(3) 145(5) .
O6 H6A O2 0.850(19) 1.99(3) 2.814(4) 164(5) .
O6 H6B O7 0.841(19) 2.53(4) 2.897(5) 108(3) 1_556
O7 H7B O6 0.815(19) 2.41(5) 2.897(5) 120(4) 1_554
O7 H7A O5 0.810(19) 2.04(2) 2.804(5) 157(5) 2_656
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 -1.9(4) . . . .
C1 C2 C3 C4 0.0(4) . . . .
C2 C3 C4 C5 1.7(4) . . . .
C2 C3 C4 C6 -178.1(2) . . . .
C3 C4 C5 N1 -1.6(3) . . . .
C6 C4 C5 N1 178.2(2) . . . .
C3 C4 C5 C7 176.6(2) . . . .
C6 C4 C5 C7 -3.6(4) . . . .
C5 C4 C6 O4 101.2(3) . . . .
C3 C4 C6 O4 -79.0(3) . . . .
C5 C4 C6 O3 -83.4(3) . . . .
C3 C4 C6 O3 96.4(3) . . . .
N1 C5 C7 O2 176.4(2) . . . .
C4 C5 C7 O2 -1.9(4) . . . .
N1 C5 C7 O1 -2.8(3) . . . .
C4 C5 C7 O1 178.9(2) . . . .
N2 C8 C9 N3 -0.3(4) . . . .
N4 C13 C14 N5 -0.1(3) . . . .
C4 C5 N1 C1 -0.3(4) . . . .
C7 C5 N1 C1 -178.7(2) . . . .
C4 C5 N1 Cu1 -177.32(17) . . . .
C7 C5 N1 Cu1 4.3(2) . . . .
C2 C1 N1 C5 2.1(4) . . . .
C2 C1 N1 Cu1 178.7(2) . . . .
N3 C10 N2 C8 -0.5(3) . . . .
C12 C10 N2 C8 178.4(3) . . . .
N3 C10 N2 Cu1 -173.30(18) . . . .
C12 C10 N2 Cu1 5.6(4) . . . .
C9 C8 N2 C10 0.5(4) . . . .
C9 C8 N2 Cu1 173.8(2) . . . .
N2 C10 N3 C9 0.4(3) . . . .
C12 C10 N3 C9 -178.5(3) . . . .
N2 C10 N3 C11 179.1(3) . . . .
C12 C10 N3 C11 0.2(5) . . . .
C8 C9 N3 C10 -0.1(4) . . . .
C8 C9 N3 C11 -178.9(3) . . . .
N5 C15 N4 C13 -0.5(3) . . . .
C17 C15 N4 C13 179.3(3) . . . .
N5 C15 N4 Cu1 178.40(16) . . . .
C17 C15 N4 Cu1 -1.8(4) . . . .
C14 C13 N4 C15 0.4(3) . . . .
C14 C13 N4 Cu1 -178.57(19) . . . .
N4 C15 N5 C14 0.5(3) . . . .
C17 C15 N5 C14 -179.4(3) . . . .
N4 C15 N5 C16 178.1(3) . . . .
C17 C15 N5 C16 -1.8(4) . . . .
C13 C14 N5 C15 -0.2(3) . . . .
C13 C14 N5 C16 -177.8(3) . . . .
O2 C7 O1 Cu1 -179.4(2) . . . .
C5 C7 O1 Cu1 -0.2(3) . . . .
O4 C6 O3 Cu1 163.0(2) . . . 2_656
C4 C6 O3 Cu1 -12.0(4) . . . 2_656
C7 O1 Cu1 N4 78.0(3) . . . .
C7 O1 Cu1 N2 174.40(18) . . . .
C7 O1 Cu1 N1 2.00(18) . . . .
C7 O1 Cu1 O3 -92.12(18) . . . 2_656
C15 N4 Cu1 O1 -2.5(4) . . . .
C13 N4 Cu1 O1 176.2(2) . . . .
C15 N4 Cu1 N2 -99.2(2) . . . .
C13 N4 Cu1 N2 79.5(2) . . . .
C15 N4 Cu1 N1 71.4(2) . . . .
C13 N4 Cu1 N1 -109.9(2) . . . .
C15 N4 Cu1 O3 168.0(2) . . . 2_656
C13 N4 Cu1 O3 -13.3(2) . . . 2_656
C10 N2 Cu1 O1 -58.9(2) . . . .
C8 N2 Cu1 O1 129.3(2) . . . .
C10 N2 Cu1 N4 101.6(2) . . . .
C8 N2 Cu1 N4 -70.1(2) . . . .
C10 N2 Cu1 N1 -11.5(6) . . . .
C8 N2 Cu1 N1 176.8(4) . . . .
C10 N2 Cu1 O3 -165.9(2) . . . 2_656
C8 N2 Cu1 O3 22.4(2) . . . 2_656
C5 N1 Cu1 O1 -3.54(16) . . . .
C1 N1 Cu1 O1 179.6(2) . . . .
C5 N1 Cu1 N4 -164.51(17) . . . .
C1 N1 Cu1 N4 18.7(2) . . . .
C5 N1 Cu1 N2 -51.7(6) . . . .
C1 N1 Cu1 N2 131.5(5) . . . .
C5 N1 Cu1 O3 102.57(17) . . . 2_656
C1 N1 Cu1 O3 -74.3(2) . . . 2_656
