#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/72/2217272.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_2217272
loop_
_publ_author_name
'Wen-Li Zhang'
'Lai-Ping Zhang'
'Jian-Fang Ma'
_publ_section_title
;catena-Poly[[[bis(4-aminobenzoato-κO)copper(II)]-μ-1,1'-(pentane-1,5-diyl)diimidazole]
 trihydrate]
;
_journal_coeditor_code           SF2009
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m156
_journal_page_last               m157
_journal_paper_doi               10.1107/S1600536807064586
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu (C7 H6 N O2)2 (C11 H16 N4)], 3H2 O'
_chemical_formula_moiety         'C25 H28 Cu N6 O4, 3(H2 O)'
_chemical_formula_sum            'C25 H34 Cu N6 O7'
_chemical_formula_weight         594.12
_chemical_name_systematic
;
catena-poly[[[bis(4-aminobenzoato-\kO)copper(II)]-μ-
1,1'-(pentane-1,5-diyl)diimidazole] trihydrate]
;
_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                90.0000(10)
_cell_angle_beta                 93.7250(10)
_cell_angle_gamma                90.0000(10)
_cell_formula_units_Z            4
_cell_length_a                   13.082(9)
_cell_length_b                   11.1510(10)
_cell_length_c                   19.505(2)
_cell_measurement_reflns_used    6488
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.5
_cell_measurement_theta_min      1.8
_cell_volume                     2839(2)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0338
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16576
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.50
_diffrn_reflns_theta_min         1.82
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.822
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.635
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          0.68
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.38
_refine_diff_density_max         0.414
_refine_diff_density_min         -0.339
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         6488
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0448P)²+0.6476P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0870
_refine_ls_wR_factor_ref         0.0952
_reflns_number_gt                4988
_reflns_number_total             6488
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sf2009.cif
_cod_data_source_block           I
_cod_original_cell_volume        2839.3(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2217272
_cod_database_fobs_code          2217272
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_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
Cu Cu1 0.724906(17) 0.20985(2) 0.494309(9) 0.03977(9) Uani d . 1
C C1 0.69874(15) 0.25416(18) 0.70179(8) 0.0414(4) Uani d . 1
C C2 0.63431(17) 0.1687(2) 0.72737(9) 0.0515(5) Uani d . 1
H H2 0.5989 0.1165 0.6971 0.062 Uiso calc R 1
C C3 0.62168(18) 0.1595(2) 0.79711(10) 0.0578(5) Uani d . 1
H H3 0.5772 0.1024 0.8131 0.069 Uiso calc R 1
C C4 0.67506(17) 0.2352(2) 0.84349(9) 0.0503(5) Uani d . 1
C C5 0.74098(18) 0.32010(19) 0.81822(10) 0.0521(5) Uani d . 1
H H5 0.7778 0.3708 0.8485 0.063 Uiso calc R 1
C C6 0.75202(17) 0.32954(18) 0.74842(10) 0.0480(4) Uani d . 1
H H6 0.7958 0.3873 0.7323 0.058 Uiso calc R 1
C C7 0.71394(15) 0.26575(18) 0.62690(9) 0.0437(4) Uani d . 1
C C8 0.72368(15) 0.13276(17) 0.28845(8) 0.0437(4) Uani d . 1
C C9 0.66706(18) 0.05414(19) 0.24653(10) 0.0543(5) Uani d . 1
H H9 0.6230 0.0002 0.2659 0.065 Uiso calc R 1
C C10 0.6749(2) 0.0543(2) 0.17607(10) 0.0605(6) Uani d . 1
H H10 0.6364 0.0002 0.1488 0.073 Uiso calc R 1
C C11 0.73957(18) 0.1343(2) 0.14575(9) 0.0531(5) Uani d . 1
C C12 0.79721(18) 0.21209(19) 0.18774(10) 0.0531(5) Uani d . 1
H H12 0.8418 0.2653 0.1684 0.064 Uiso calc R 1
C C13 0.78948(16) 0.21189(18) 0.25818(9) 0.0483(5) Uani d . 1
H H13 0.8287 0.2652 0.2855 0.058 Uiso calc R 1
C C14 0.71565(16) 0.1321(2) 0.36461(9) 0.0487(5) Uani d . 1
C C15 0.88170(14) 0.07802(17) 0.58180(9) 0.0418(4) Uani d . 1
H H15 0.8333 0.0438 0.6087 0.050 Uiso calc R 1
C C16 0.95172(16) 0.17479(19) 0.50186(10) 0.0484(5) Uani d . 1
H H16 0.9602 0.2202 0.4626 0.058 Uiso calc R 1
C C17 1.02826(16) 0.1299(2) 0.54402(10) 0.0536(5) Uani d . 1
H H17 1.0982 0.1392 0.5396 0.064 Uiso calc R 1
C C18 1.03590(17) 0.0044(2) 0.65268(10) 0.0568(6) Uani d . 1
H H18A 1.0945 -0.0381 0.6367 0.068 Uiso calc R 1
H H18B 0.9898 -0.0544 0.6704 0.068 Uiso calc R 1
C C19 1.07186(15) 0.0899(2) 0.71027(10) 0.0565(5) Uani d . 1
H H19A 1.1139 0.0454 0.7443 0.068 Uiso calc R 1
H H19B 1.1148 0.1509 0.6914 0.068 Uiso calc R 1
C C20 0.98658(16) 0.15138(19) 0.74596(10) 0.0529(5) Uani d . 1
H H20A 1.0170 0.2083 0.7789 0.063 Uiso calc R 1
H H20B 0.9449 0.1964 0.7120 0.063 Uiso calc R 1
C C21 0.91748(15) 0.0677(2) 0.78300(10) 0.0549(5) Uani d . 1
H H21A 0.8871 0.0110 0.7499 0.066 Uiso calc R 1
H H21B 0.8622 0.1146 0.8003 0.066 Uiso calc R 1
C C22 0.96906(17) -0.00216(19) 0.84230(10) 0.0541(5) Uani d . 1
H H22A 0.9211 -0.0603 0.8585 0.065 Uiso calc R 1
H H22B 1.0269 -0.0458 0.8261 0.065 Uiso calc R 1
C C23 1.09798(15) 0.12327(18) 0.90985(9) 0.0438(4) Uani d . 1
H H23 1.1518 0.1089 0.8820 0.053 Uiso calc R 1
C C24 1.00978(16) 0.18889(19) 0.99050(10) 0.0501(5) Uani d . 1
H H24 0.9912 0.2289 1.0296 0.060 Uiso calc R 1
C C25 0.94779(16) 0.1173(2) 0.95058(10) 0.0546(5) Uani d . 1
H H25 0.8794 0.0999 0.9566 0.065 Uiso calc R 1
N N1 0.85934(12) 0.14264(14) 0.52616(7) 0.0413(3) Uani d . 1
N N2 0.98308(12) 0.06823(15) 0.59449(7) 0.0443(4) Uani d . 1
N N3 1.00482(12) 0.07559(14) 0.89960(7) 0.0429(4) Uani d . 1
N N4 1.10431(12) 0.19343(14) 0.96448(7) 0.0422(4) Uani d . 1
N N5 0.6617(2) 0.2274(2) 0.91329(9) 0.0714(6) Uani d D 1
N N6 0.7484(2) 0.1342(2) 0.07524(9) 0.0745(7) Uani d D 1
O O1 0.67388(10) 0.18549(13) 0.58642(6) 0.0461(3) Uani d . 1
O O2 0.76375(14) 0.35143(14) 0.60610(7) 0.0639(4) Uani d . 1
O O1W 0.69005(16) -0.12845(16) 0.48742(9) 0.0730(5) Uani d D 1
O O3 0.76716(11) 0.21141(14) 0.39921(6) 0.0529(4) Uani d . 1
O O2W 0.55952(17) -0.03625(18) 0.58310(12) 0.0875(6) Uani d D 1
O O4 0.65989(14) 0.05708(15) 0.39138(7) 0.0671(4) Uani d . 1
O O3W 0.8944(2) 0.4784(2) 0.52971(15) 0.1152(9) Uani d D 1
H H5A 0.704(3) 0.261(4) 0.937(2) 0.173 Uiso d D 1
H H5B 0.638(4) 0.161(3) 0.927(2) 0.173 Uiso d D 1
H H6A 0.698(3) 0.091(4) 0.051(2) 0.173 Uiso d D 1
H H6B 0.774(4) 0.199(4) 0.058(2) 0.173 Uiso d . 1
H H1A 0.645(3) -0.104(4) 0.5145(18) 0.173 Uiso d D 1
H H1B 0.691(3) -0.078(4) 0.4530(17) 0.173 Uiso d D 1
H H2A 0.496(2) -0.038(4) 0.593(2) 0.173 Uiso d D 1
H H2B 0.577(3) 0.045(3) 0.584(2) 0.173 Uiso d D 1
H H3A 0.845(2) 0.436(4) 0.547(2) 0.173 Uiso d D 1
H H3B 0.952(2) 0.449(4) 0.558(2) 0.173 Uiso d D 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'
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
N4 Cu1 O3 4_565 . 89.16(6)
N4 Cu1 N1 4_565 . 169.04(7)
O3 Cu1 N1 . . 90.06(6)
N4 Cu1 O1 4_565 . 91.86(6)
O3 Cu1 O1 . . 171.77(6)
N1 Cu1 O1 . . 90.48(6)
C2 C1 C6 . . 118.06(16)
C2 C1 C7 . . 122.31(17)
C6 C1 C7 . . 119.62(18)
C3 C2 C1 . . 121.22(19)
C3 C2 H2 . . 119.4
C1 C2 H2 . . 119.4
C2 C3 C4 . . 120.5(2)
C2 C3 H3 . . 119.8
C4 C3 H3 . . 119.8
N5 C4 C3 . . 120.7(2)
N5 C4 C5 . . 120.7(2)
C3 C4 C5 . . 118.60(17)
C6 C5 C4 . . 120.47(19)
C6 C5 H5 . . 119.8
C4 C5 H5 . . 119.8
C5 C6 C1 . . 121.2(2)
C5 C6 H6 . . 119.4
C1 C6 H6 . . 119.4
O2 C7 O1 . . 122.61(16)
O2 C7 C1 . . 119.56(18)
O1 C7 C1 . . 117.83(17)
C9 C8 C13 . . 118.32(17)
C9 C8 C14 . . 121.02(19)
C13 C8 C14 . . 120.66(19)
C8 C9 C10 . . 121.0(2)
C8 C9 H9 . . 119.5
C10 C9 H9 . . 119.5
C9 C10 C11 . . 120.6(2)
C9 C10 H10 . . 119.7
C11 C10 H10 . . 119.7
C12 C11 N6 . . 120.7(2)
C12 C11 C10 . . 118.36(17)
N6 C11 C10 . . 120.9(2)
C11 C12 C13 . . 121.0(2)
C11 C12 H12 . . 119.5
C13 C12 H12 . . 119.5
C12 C13 C8 . . 120.6(2)
C12 C13 H13 . . 119.7
C8 C13 H13 . . 119.7
O4 C14 O3 . . 123.10(17)
O4 C14 C8 . . 120.0(2)
O3 C14 C8 . . 116.91(18)
N1 C15 N2 . . 111.15(16)
N1 C15 H15 . . 124.4
N2 C15 H15 . . 124.4
C17 C16 N1 . . 109.12(17)
C17 C16 H16 . . 125.4
N1 C16 H16 . . 125.4
C16 C17 N2 . . 106.67(17)
C16 C17 H17 . . 126.7
N2 C17 H17 . . 126.7
N2 C18 C19 . . 111.85(18)
N2 C18 H18A . . 109.2
C19 C18 H18A . . 109.2
N2 C18 H18B . . 109.2
C19 C18 H18B . . 109.2
H18A C18 H18B . . 107.9
C20 C19 C18 . . 114.84(17)
C20 C19 H19A . . 108.6
C18 C19 H19A . . 108.6
C20 C19 H19B . . 108.6
C18 C19 H19B . . 108.6
H19A C19 H19B . . 107.5
C21 C20 C19 . . 114.83(18)
C21 C20 H20A . . 108.6
C19 C20 H20A . . 108.6
C21 C20 H20B . . 108.6
C19 C20 H20B . . 108.6
H20A C20 H20B . . 107.5
C20 C21 C22 . . 115.50(17)
C20 C21 H21A . . 108.4
C22 C21 H21A . . 108.4
C20 C21 H21B . . 108.4
C22 C21 H21B . . 108.4
H21A C21 H21B . . 107.5
N3 C22 C21 . . 112.43(17)
N3 C22 H22A . . 109.1
C21 C22 H22A . . 109.1
N3 C22 H22B . . 109.1
C21 C22 H22B . . 109.1
H22A C22 H22B . . 107.8
N4 C23 N3 . . 111.48(16)
N4 C23 H23 . . 124.3
N3 C23 H23 . . 124.3
C25 C24 N4 . . 109.38(17)
C25 C24 H24 . . 125.3
N4 C24 H24 . . 125.3
C24 C25 N3 . . 106.62(17)
C24 C25 H25 . . 126.7
N3 C25 H25 . . 126.7
C15 N1 C16 . . 105.85(16)
C15 N1 Cu1 . . 127.69(13)
C16 N1 Cu1 . . 125.30(13)
C15 N2 C17 . . 107.20(15)
C15 N2 C18 . . 126.28(17)
C17 N2 C18 . . 126.52(17)
C23 N3 C25 . . 107.03(16)
C23 N3 C22 . . 126.39(16)
C25 N3 C22 . . 126.51(17)
C23 N4 C24 . . 105.47(16)
C23 N4 Cu1 . 4_666 124.79(13)
C24 N4 Cu1 . 4_666 129.60(13)
C4 N5 H5A . . 114(4)
C4 N5 H5B . . 116(3)
H5A N5 H5B . . 119(4)
C11 N6 H6A . . 114(3)
C11 N6 H6B . . 116(3)
H6A N6 H6B . . 122(4)
C7 O1 Cu1 . . 108.37(12)
H1A O1W H1B . . 108(3)
C14 O3 Cu1 . . 108.70(12)
H2A O2W H2B . . 105(3)
H3A O3W H3B . . 99(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cu1 N4 4_565 1.9677(15)
Cu1 O3 . 1.9698(12)
Cu1 N1 . 1.9745(15)
Cu1 O1 . 1.9757(12)
C1 C2 . 1.387(3)
C1 C6 . 1.392(3)
C1 C7 . 1.493(2)
C2 C3 . 1.385(2)
C2 H2 . 0.9300
C3 C4 . 1.391(3)
C3 H3 . 0.9300
C4 N5 . 1.387(2)
C4 C5 . 1.392(3)
C5 C6 . 1.382(3)
C5 H5 . 0.9300
C6 H6 . 0.9300
C7 O2 . 1.239(2)
C7 O1 . 1.283(2)
C8 C9 . 1.381(3)
C8 C13 . 1.391(3)
C8 C14 . 1.496(2)
C9 C10 . 1.385(3)
C9 H9 . 0.9300
C10 C11 . 1.389(3)
C10 H10 . 0.9300
C11 C12 . 1.383(3)
C11 N6 . 1.387(2)
C12 C13 . 1.384(3)
C12 H12 . 0.9300
C13 H13 . 0.9300
C14 O4 . 1.247(3)
C14 O3 . 1.278(3)
C15 N1 . 1.320(2)
C15 N2 . 1.338(2)
C15 H15 . 0.9300
C16 C17 . 1.350(3)
C16 N1 . 1.374(2)
C16 H16 . 0.9300
C17 N2 . 1.367(3)
C17 H17 . 0.9300
C18 N2 . 1.473(2)
C18 C19 . 1.524(3)
C18 H18A . 0.9700
C18 H18B . 0.9700
C19 C20 . 1.517(3)
C19 H19A . 0.9700
C19 H19B . 0.9700
C20 C21 . 1.515(3)
C20 H20A . 0.9700
C20 H20B . 0.9700
C21 C22 . 1.516(3)
C21 H21A . 0.9700
C21 H21B . 0.9700
C22 N3 . 1.467(2)
C22 H22A . 0.9700
C22 H22B . 0.9700
C23 N4 . 1.320(2)
C23 N3 . 1.333(2)
C23 H23 . 0.9300
C24 C25 . 1.349(3)
C24 N4 . 1.368(2)
C24 H24 . 0.9300
C25 N3 . 1.363(2)
C25 H25 . 0.9300
N4 Cu1 4_666 1.9677(15)
N5 H5A . 0.79(3)
N5 H5B . 0.86(3)
N6 H6A . 0.92(3)
N6 H6B . 0.88(4)
O1W H1A . 0.86(3)
O1W H1B . 0.87(3)
O2W H2A . 0.86(3)
O2W H2B . 0.94(3)
O3W H3A . 0.89(3)
O3W H3B . 0.97(3)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O2W H2A O4 3_656 0.86(3) 2.09(3) 2.954(3) 174(4)
N5 H5A O1W 2_656 0.79(3) 2.32(3) 3.100(3) 172(5)
N6 H6B O1W 2_655 0.88(4) 2.18(4) 3.046(3) 170(5)
O1W H1A O2W . 0.86(3) 1.95(3) 2.805(3) 172(5)
O1W H1B O4 . 0.87(3) 1.96(3) 2.802(2) 163(4)
O2W H2B O1 . 0.94(3) 2.01(3) 2.889(3) 155(4)
O3W H3A O2 . 0.89(3) 1.87(3) 2.734(3) 164(4)
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
C6 C1 C2 C3 . . 1.1(3)
C7 C1 C2 C3 . . 179.84(19)
C1 C2 C3 C4 . . -1.1(3)
C2 C3 C4 N5 . . 179.2(2)
C2 C3 C4 C5 . . 0.2(3)
N5 C4 C5 C6 . . -178.3(2)
C3 C4 C5 C6 . . 0.7(3)
C4 C5 C6 C1 . . -0.6(3)
C2 C1 C6 C5 . . -0.2(3)
C7 C1 C6 C5 . . -179.02(18)
C2 C1 C7 O2 . . 172.4(2)
C6 C1 C7 O2 . . -8.8(3)
C2 C1 C7 O1 . . -7.3(3)
C6 C1 C7 O1 . . 171.39(18)
C13 C8 C9 C10 . . -0.4(3)
C14 C8 C9 C10 . . -179.67(19)
C8 C9 C10 C11 . . -0.4(3)
C9 C10 C11 C12 . . 1.2(3)
C9 C10 C11 N6 . . 179.4(2)
N6 C11 C12 C13 . . -179.4(2)
C10 C11 C12 C13 . . -1.1(3)
C11 C12 C13 C8 . . 0.3(3)
C9 C8 C13 C12 . . 0.5(3)
C14 C8 C13 C12 . . 179.72(17)
C9 C8 C14 O4 . . 2.5(3)
C13 C8 C14 O4 . . -176.73(18)
C9 C8 C14 O3 . . -176.92(18)
C13 C8 C14 O3 . . 3.8(3)
N1 C16 C17 N2 . . 0.7(2)
N2 C18 C19 C20 . . 65.9(2)
C18 C19 C20 C21 . . 62.9(2)
C19 C20 C21 C22 . . 63.4(2)
C20 C21 C22 N3 . . 66.3(2)
N4 C24 C25 N3 . . 0.8(2)
N2 C15 N1 C16 . . 0.5(2)
N2 C15 N1 Cu1 . . -167.55(13)
C17 C16 N1 C15 . . -0.8(2)
C17 C16 N1 Cu1 . . 167.69(14)
N4 Cu1 N1 C15 4_565 . 119.0(3)
O3 Cu1 N1 C15 . . -155.13(17)
O1 Cu1 N1 C15 . . 16.65(17)
N4 Cu1 N1 C16 4_565 . -46.9(4)
O3 Cu1 N1 C16 . . 38.96(16)
O1 Cu1 N1 C16 . . -149.25(16)
N1 C15 N2 C17 . . -0.1(2)
N1 C15 N2 C18 . . 179.02(18)
C16 C17 N2 C15 . . -0.4(2)
C16 C17 N2 C18 . . -179.49(19)
C19 C18 N2 C15 . . -99.2(2)
C19 C18 N2 C17 . . 79.8(2)
N4 C23 N3 C25 . . 0.0(2)
N4 C23 N3 C22 . . 177.13(18)
C24 C25 N3 C23 . . -0.5(2)
C24 C25 N3 C22 . . -177.63(19)
C21 C22 N3 C23 . . -93.1(2)
C21 C22 N3 C25 . . 83.5(2)
N3 C23 N4 C24 . . 0.5(2)
N3 C23 N4 Cu1 . 4_666 -175.54(12)
C25 C24 N4 C23 . . -0.8(2)
C25 C24 N4 Cu1 . 4_666 174.99(15)
O2 C7 O1 Cu1 . . 9.2(2)
C1 C7 O1 Cu1 . . -171.10(13)
N4 Cu1 O1 C7 4_565 . -94.66(13)
N1 Cu1 O1 C7 . . 74.64(13)
O4 C14 O3 Cu1 . . -9.3(2)
C8 C14 O3 Cu1 . . 170.13(12)
N4 Cu1 O3 C14 4_565 . -80.43(13)
N1 Cu1 O3 C14 . . 110.50(13)
