##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_d
_audit_creation_method     'SHELXL-97'
_journal_date_recd_electronic     2005-05-05
_journal_date_accepted     2005-06-03
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2005
_journal_volume     61
_journal_issue      7
_journal_page_first     m1310
_journal_page_last     m1312
_journal_paper_category     EM
_publ_contact_author_name     'Professor Liu Shi-Xiong'
_publ_contact_author_address
;
Department of Chemistry
Fuzhou University
Fuzhou 350002
People's Republic of China
;
_publ_contact_author_email     shixiongliu@yahoo.com
_publ_contact_author_fax     '86 591 83729860'
_publ_contact_author_phone     '86 591 83729860'
_publ_section_title
;\
(N-Salicylaldehyde-p-nitrobenzoylhydrazonato-κ³O,\
N,O') (morpholine-κN)copper(II)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Yuan, Li-Hui' .
;
Department of Chemistry
Fuzhou University
Fuzhou
Fujian 350002
People's Republic of China
;
    'Wu, Qiong-Jie' .
;
Department of Chemistry
Fuzhou University
Fuzhou
Fujian 350002
People's Republic of China
;
    'Liu, Shi-Xiong' .
;
Department of Chemistry
Fuzhou University
Fuzhou
Fujian 350002
People's Republic of China
;
data_I
_chemical_name_systematic
;
(N-Salicylaldehyde-p-nitrobenzoylhydrazonato-κ³O,N,O')
(morpholine-\kN)copper(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C18 H18 Cu N4 O5'
_chemical_formula_sum     'C18 H18 Cu N4 O5'
_chemical_formula_iupac     '[Cu (C14 H9 N3 O4) (C4 H9 N O)]'
_chemical_formula_weight     433.90
_chemical_melting_point     ?
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'C 2/c'
_symmetry_space_group_name_Hall     '-C 2yc'
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'
_cell_length_a     15.054(7)
_cell_length_b     6.538(3)
_cell_length_c     36.230(15)
_cell_angle_alpha     90.00
_cell_angle_beta     95.800(6)
_cell_angle_gamma     90.00
_cell_volume     3548(3)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     3892
_cell_measurement_theta_min     2.26
_cell_measurement_theta_max     27.16
_cell_measurement_temperature     293(2)
_exptl_crystal_description     needle
_exptl_crystal_colour     blue
_exptl_crystal_size_max     0.10
_exptl_crystal_size_mid     0.08
_exptl_crystal_size_min     0.05
_exptl_crystal_density_diffrn     1.625
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1784
_exptl_absorpt_coefficient_mu     1.272
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.885
_exptl_absorpt_correction_T_max     0.938
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART CCD area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     8552
_diffrn_reflns_av_R_equivalents     0.0443
_diffrn_reflns_av_sigmaI/netI     0.0687
_diffrn_reflns_theta_min     2.26
_diffrn_reflns_theta_max     27.16
_diffrn_reflns_theta_full     27.16
_diffrn_measured_fraction_theta_max     0.986
_diffrn_measured_fraction_theta_full     0.986
_diffrn_reflns_limit_h_min     -18
_diffrn_reflns_limit_h_max     19
_diffrn_reflns_limit_k_min     -8
_diffrn_reflns_limit_k_max     8
_diffrn_reflns_limit_l_min     -46
_diffrn_reflns_limit_l_max     34
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     3892
_reflns_number_gt     2581
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0923
_refine_ls_R_factor_gt     0.0537
_refine_ls_wR_factor_gt     0.1090
_refine_ls_wR_factor_ref     0.1198
_refine_ls_goodness_of_fit_ref     1.044
_refine_ls_restrained_S_all     1.044
_refine_ls_number_reflns     3892
_refine_ls_number_parameters     272
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.0497P)²+1.9541P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.438
_refine_diff_density_min     -0.380
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
_computing_data_collection     'SMART (Siemens, 1996)'
_computing_cell_refinement     'SAINT (Siemens, 1994)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL (Siemens, 1994)'
_computing_publication_material     'SHELXTL'
loop_
    _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_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Cu1 0.22389(3) 0.07069(7) 0.365297(12) 0.03771(16) Uani d . 1 . . Cu
    O1 0.22101(16) -0.0999(4) 0.32320(7) 0.0426(6) Uani d . 1 . . O
    O2 0.21382(17) 0.2334(4) 0.40890(7) 0.0470(7) Uani d . 1 . . O
    O3A 0.1385(13) 0.738(3) 0.5661(6) 0.078(5) Uani d P 0.50 . . O
    O4A 0.047(2) 0.523(4) 0.5802(8) 0.068(7) Uani d P 0.50 . . O
    O3B 0.067(2) 0.499(4) 0.5859(8) 0.074(8) Uani d P 0.50 . . O
    O4B 0.1075(14) 0.786(3) 0.5582(6) 0.065(4) Uani d P 0.50 . . O
    O5 0.46962(17) 0.4718(4) 0.33022(8) 0.0531(8) Uani d . 1 . . O
    N1 0.1515(2) -0.1121(5) 0.39117(8) 0.0375(7) Uani d . 1 . . N
    N2 0.1283(2) -0.0373(5) 0.42531(8) 0.0445(8) Uani d . 1 . . N
    N3 0.0962(3) 0.5897(6) 0.55969(10) 0.0550(9) Uani d . 1 . . N
    N4 0.30535(18) 0.2736(5) 0.34362(8) 0.0354(7) Uani d . 1 . . N
    H4N 0.2690 0.3525 0.3278 0.071(15) Uiso d R 1 . . H
    C1 0.1774(2) -0.2728(6) 0.31768(10) 0.0355(8) Uani d . 1 . . C
    C2 0.1291(2) -0.3717(5) 0.34440(10) 0.0356(8) Uani d . 1 . . C
    C3 0.0872(2) -0.5576(6) 0.33542(11) 0.0429(9) Uani d . 1 . . C
    H3A 0.0562 -0.6217 0.3531 0.052 Uiso calc R 1 . . H
    C4 0.0897(2) -0.6498(6) 0.30170(11) 0.0454(10) Uani d . 1 . . C
    H4A 0.0614 -0.7745 0.2965 0.054 Uiso calc R 1 . . H
    C5 0.1355(3) -0.5524(6) 0.27543(11) 0.0473(10) Uani d . 1 . . C
    H5A 0.1368 -0.6109 0.2521 0.057 Uiso calc R 1 . . H
    C6 0.1788(3) -0.3709(6) 0.28340(10) 0.0452(10) Uani d . 1 . . C
    H6A 0.2101 -0.3109 0.2654 0.054 Uiso calc R 1 . . H
    C7 0.1180(2) -0.2832(6) 0.37965(10) 0.0420(9) Uani d . 1 . . C
    H7A 0.0840 -0.3550 0.3954 0.050 Uiso calc R 1 . . H
    C8 0.1644(2) 0.1410(6) 0.43099(10) 0.0394(9) Uani d . 1 . . C
    C9 0.1456(2) 0.2563(6) 0.46473(10) 0.0376(9) Uani d . 1 . . C
    C10 0.0987(3) 0.1672(6) 0.49192(10) 0.0455(10) Uani d . 1 . . C
    H10A 0.0784 0.0333 0.4889 0.055 Uiso calc R 1 . . H
    C11 0.0821(3) 0.2743(6) 0.52303(10) 0.0461(10) Uani d . 1 . . C
    H11A 0.0510 0.2145 0.5411 0.055 Uiso calc R 1 . . H
    C12 0.1126(2) 0.4731(6) 0.52681(10) 0.0390(9) Uani d . 1 . . C
    C13 0.1574(3) 0.5654(7) 0.50024(11) 0.0480(10) Uani d . 1 . . C
    H13A 0.1756 0.7010 0.5029 0.058 Uiso calc R 1 . . H
    C14 0.1749(3) 0.4557(6) 0.46975(11) 0.0474(10) Uani d . 1 . . C
    H14A 0.2071 0.5162 0.4520 0.057 Uiso calc R 1 . . H
    C15 0.3525(3) 0.4172(7) 0.37000(11) 0.0514(11) Uani d . 1 . . C
    H15A 0.3908 0.3406 0.3882 0.062 Uiso calc R 1 . . H
    H15B 0.3091 0.4903 0.3831 0.062 Uiso calc R 1 . . H
    C16 0.4079(3) 0.5684(7) 0.35146(12) 0.0569(12) Uani d . 1 . . C
    H16A 0.3689 0.6560 0.3354 0.068 Uiso calc R 1 . . H
    H16B 0.4400 0.6540 0.3702 0.068 Uiso calc R 1 . . H
    C17 0.4242(3) 0.3434(7) 0.30314(11) 0.0527(11) Uani d . 1 . . C
    H17A 0.4673 0.2780 0.2888 0.063 Uiso calc R 1 . . H
    H17B 0.3847 0.4256 0.2863 0.063 Uiso calc R 1 . . H
    C18 0.3703(3) 0.1813(6) 0.32060(11) 0.0461(10) Uani d . 1 . . C
    H18A 0.3387 0.0988 0.3012 0.055 Uiso calc R 1 . . H
    H18B 0.4103 0.0922 0.3359 0.055 Uiso calc R 1 . . H
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
    Cu1 O1 . 1.886(2) yes
    Cu1 O2 . 1.923(3) yes
    Cu1 N1 . 1.924(3) yes
    Cu1 N4 . 2.019(3) yes
    O1 C1 . 1.312(4) yes
    O2 C8 . 1.296(4) yes
    O3A N3 . 1.17(2) no
    O4A N3 . 1.19(2) no
    O3B N3 . 1.24(3) no
    O4B N3 . 1.30(2) no
    O5 C17 . 1.414(5) yes
    O5 C16 . 1.414(5) yes
    N1 C7 . 1.279(5) yes
    N1 N2 . 1.406(4) yes
    N2 C8 . 1.294(5) yes
    N3 C12 . 1.456(5) yes
    N4 C15 . 1.470(5) yes
    N4 C18 . 1.477(4) yes
    N4 H4N . 0.9100 no
    C1 C6 . 1.400(5) no
    C1 C2 . 1.424(5) no
    C2 C3 . 1.393(5) no
    C2 C7 . 1.427(5) no
    C3 C4 . 1.366(5) no
    C3 H3A . 0.9300 no
    C4 C5 . 1.385(5) no
    C4 H4A . 0.9300 no
    C5 C6 . 1.370(5) no
    C5 H5A . 0.9300 no
    C6 H6A . 0.9300 no
    C7 H7A . 0.9300 no
    C8 C9 . 1.487(5) no
    C9 C14 . 1.382(5) no
    C9 C10 . 1.396(5) no
    C10 C11 . 1.371(5) no
    C10 H10A . 0.9300 no
    C11 C12 . 1.380(5) no
    C11 H11A . 0.9300 no
    C12 C13 . 1.370(5) no
    C13 C14 . 1.365(5) no
    C13 H13A . 0.9300 no
    C14 H14A . 0.9300 no
    C15 C16 . 1.496(5) no
    C15 H15A . 0.9700 no
    C15 H15B . 0.9700 no
    C16 H16A . 0.9700 no
    C16 H16B . 0.9700 no
    C17 C18 . 1.512(5) no
    C17 H17A . 0.9700 no
    C17 H17B . 0.9700 no
    C18 H18A . 0.9700 no
    C18 H18B . 0.9700 no
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
    _geom_angle_publ_flag
    O1 Cu1 O2 . . 173.66(10) yes
    O1 Cu1 N1 . . 93.38(12) yes
    O2 Cu1 N1 . . 81.24(12) yes
    O1 Cu1 N4 . . 92.24(11) yes
    O2 Cu1 N4 . . 93.30(11) yes
    N1 Cu1 N4 . . 173.77(12) yes
    C1 O1 Cu1 . . 127.1(2) yes
    C8 O2 Cu1 . . 110.3(2) yes
    O4B O3A N3 . . 88(5) no
    O3A O4B N3 . . 64(4) no
    C17 O5 C16 . . 110.1(3) yes
    C7 N1 N2 . . 117.8(3) yes
    C7 N1 Cu1 . . 127.4(3) yes
    N2 N1 Cu1 . . 114.6(2) yes
    C8 N2 N1 . . 108.4(3) yes
    O3A N3 O4A . . 122.9(17) no
    O3B N3 O4B . . 124.3(16) yes
    O3A N3 C12 . . 117.6(11) no
    O4A N3 C12 . . 119.2(13) no
    O3B N3 C12 . . 118.7(12) yes
    O4B N3 C12 . . 116.8(11) yes
    C15 N4 C18 . . 108.9(3) yes
    C15 N4 Cu1 . . 116.0(2) yes
    C18 N4 Cu1 . . 114.5(2) yes
    C15 N4 H4N . . 105.5 no
    C18 N4 H4N . . 105.5 no
    Cu1 N4 H4N . . 105.5 no
    O1 C1 C6 . . 118.6(3) yes
    O1 C1 C2 . . 124.7(3) yes
    C6 C1 C2 . . 116.7(3) no
    C3 C2 C1 . . 119.2(3) no
    C3 C2 C7 . . 118.2(3) no
    C1 C2 C7 . . 122.6(3) no
    C4 C3 C2 . . 122.8(3) no
    C4 C3 H3A . . 118.6 no
    C2 C3 H3A . . 118.6 no
    C3 C4 C5 . . 118.2(4) no
    C3 C4 H4A . . 120.9 no
    C5 C4 H4A . . 120.9 no
    C6 C5 C4 . . 120.8(4) no
    C6 C5 H5A . . 119.6 no
    C4 C5 H5A . . 119.6 no
    C5 C6 C1 . . 122.3(4) no
    C5 C6 H6A . . 118.8 no
    C1 C6 H6A . . 118.8 no
    N1 C7 C2 . . 124.7(3) yes
    N1 C7 H7A . . 117.7 no
    C2 C7 H7A . . 117.7 no
    N2 C8 O2 . . 125.4(4) yes
    N2 C8 C9 . . 118.4(3) yes
    O2 C8 C9 . . 116.1(3) yes
    C14 C9 C10 . . 118.5(4) no
    C14 C9 C8 . . 120.1(3) no
    C10 C9 C8 . . 121.4(4) no
    C11 C10 C9 . . 120.9(4) no
    C11 C10 H10A . . 119.5 no
    C9 C10 H10A . . 119.5 no
    C10 C11 C12 . . 118.4(4) no
    C10 C11 H11A . . 120.8 no
    C12 C11 H11A . . 120.8 no
    C13 C12 C11 . . 121.8(4) no
    C13 C12 N3 . . 118.7(4) yes
    C11 C12 N3 . . 119.5(3) yes
    C14 C13 C12 . . 119.1(4) no
    C14 C13 H13A . . 120.5 no
    C12 C13 H13A . . 120.5 no
    C13 C14 C9 . . 121.1(4) no
    C13 C14 H14A . . 119.4 no
    C9 C14 H14A . . 119.4 no
    N4 C15 C16 . . 112.6(3) yes
    N4 C15 H15A . . 109.1 no
    C16 C15 H15A . . 109.1 no
    N4 C15 H15B . . 109.1 no
    C16 C15 H15B . . 109.1 no
    H15A C15 H15B . . 107.8 no
    O5 C16 C15 . . 112.1(4) yes
    O5 C16 H16A . . 109.2 no
    C15 C16 H16A . . 109.2 no
    O5 C16 H16B . . 109.2 no
    C15 C16 H16B . . 109.2 no
    H16A C16 H16B . . 107.9 no
    O5 C17 C18 . . 111.6(3) yes
    O5 C17 H17A . . 109.3 no
    C18 C17 H17A . . 109.3 no
    O5 C17 H17B . . 109.3 no
    C18 C17 H17B . . 109.3 no
    H17A C17 H17B . . 108.0 no
    N4 C18 C17 . . 111.3(3) no
    N4 C18 H18A . . 109.4 no
    C17 C18 H18A . . 109.4 no
    N4 C18 H18B . . 109.4 no
    C17 C18 H18B . . 109.4 no
    H18A C18 H18B . . 108.0 no
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_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N1 Cu1 O1 C1 . . . . 2.9(3) ?
    N4 Cu1 O1 C1 . . . . -179.8(3) ?
    N1 Cu1 O2 C8 . . . . -1.5(3) ?
    N4 Cu1 O2 C8 . . . . -178.5(3) ?
    O1 Cu1 N1 C7 . . . . -0.4(3) ?
    O2 Cu1 N1 C7 . . . . 176.2(3) ?
    O1 Cu1 N1 N2 . . . . -175.1(2) ?
    O2 Cu1 N1 N2 . . . . 1.5(2) ?
    C7 N1 N2 C8 . . . . -176.4(3) ?
    Cu1 N1 N2 C8 . . . . -1.1(4) ?
    O4B O3A N3 O4A . . . . -91(5) ?
    O4B O3A N3 O3B . . . . -111(5) ?
    O4B O3A N3 C12 . . . . 96(4) ?
    O3A O4B N3 O4A . . . . 106(5) ?
    O3A O4B N3 O3B . . . . 86(5) ?
    O3A O4B N3 C12 . . . . -99(4) ?
    O1 Cu1 N4 C15 . . . . -162.5(3) ?
    O2 Cu1 N4 C15 . . . . 20.6(3) ?
    O1 Cu1 N4 C18 . . . . -34.2(3) ?
    O2 Cu1 N4 C18 . . . . 148.9(3) ?
    Cu1 O1 C1 C6 . . . . 175.7(3) ?
    Cu1 O1 C1 C2 . . . . -5.2(5) ?
    O1 C1 C2 C3 . . . . -178.5(3) ?
    C6 C1 C2 C3 . . . . 0.5(5) ?
    O1 C1 C2 C7 . . . . 4.6(6) ?
    C6 C1 C2 C7 . . . . -176.4(3) ?
    C1 C2 C3 C4 . . . . -0.6(6) ?
    C7 C2 C3 C4 . . . . 176.5(4) ?
    C2 C3 C4 C5 . . . . -0.4(6) ?
    C3 C4 C5 C6 . . . . 1.5(6) ?
    C4 C5 C6 C1 . . . . -1.6(6) ?
    O1 C1 C6 C5 . . . . 179.6(4) ?
    C2 C1 C6 C5 . . . . 0.5(6) ?
    N2 N1 C7 C2 . . . . 174.7(3) ?
    Cu1 N1 C7 C2 . . . . 0.2(6) ?
    C3 C2 C7 N1 . . . . -178.9(4) ?
    C1 C2 C7 N1 . . . . -1.9(6) ?
    N1 N2 C8 O2 . . . . -0.2(5) ?
    N1 N2 C8 C9 . . . . 177.0(3) ?
    Cu1 O2 C8 N2 . . . . 1.5(5) ?
    Cu1 O2 C8 C9 . . . . -175.9(2) ?
    N2 C8 C9 C14 . . . . -173.0(4) ?
    O2 C8 C9 C14 . . . . 4.6(5) ?
    N2 C8 C9 C10 . . . . 7.2(6) ?
    O2 C8 C9 C10 . . . . -175.3(3) ?
    C14 C9 C10 C11 . . . . -0.2(6) ?
    C8 C9 C10 C11 . . . . 179.7(4) ?
    C9 C10 C11 C12 . . . . 0.2(6) ?
    C10 C11 C12 C13 . . . . 1.0(6) ?
    C10 C11 C12 N3 . . . . -179.7(4) ?
    O3A N3 C12 C13 . . . . -16.9(10) ?
    O4A N3 C12 C13 . . . . 169(2) ?
    O3B N3 C12 C13 . . . . -170(2) ?
    O4B N3 C12 C13 . . . . 14.6(10) ?
    O3A N3 C12 C11 . . . . 163.8(9) ?
    O4A N3 C12 C11 . . . . -10(2) ?
    O3B N3 C12 C11 . . . . 10(2) ?
    O4B N3 C12 C11 . . . . -164.7(9) ?
    C11 C12 C13 C14 . . . . -2.2(6) ?
    N3 C12 C13 C14 . . . . 178.5(4) ?
    C12 C13 C14 C9 . . . . 2.2(6) ?
    C10 C9 C14 C13 . . . . -1.0(6) ?
    C8 C9 C14 C13 . . . . 179.1(4) ?
    C18 N4 C15 C16 . . . . 51.9(5) ?
    Cu1 N4 C15 C16 . . . . -177.2(3) ?
    C17 O5 C16 C15 . . . . 57.9(5) ?
    N4 C15 C16 O5 . . . . -55.7(5) ?
    C16 O5 C17 C18 . . . . -58.9(5) ?
    C15 N4 C18 C17 . . . . -52.4(4) ?
    Cu1 N4 C18 C17 . . . . 175.9(3) ?
    O5 C17 C18 N4 . . . . 57.4(5) ?
