##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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/  #
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data_global
_audit_creation_method     'SHELXL97'
_journal_date_recd_electronic     2006-06-06
_journal_date_accepted     2006-07-11
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2006
_journal_volume     62
_journal_issue      8
_journal_page_first     m1884
_journal_page_last     m1886
_journal_paper_category     EM
_journal_coeditor_code     HY2007
_publ_contact_author_name     'Dong-Sheng Zhu'
_publ_contact_author_address
;
Department of Chemistry
Northeast Normal University
Changchun 130024
P.R.China
;
_publ_contact_author_email     zhuds206@nenu.edu.cn
_publ_contact_author_fax     +86-431-5681788
_publ_contact_author_phone     +86-431-5098620
_publ_section_title
;
{2,2'-[Ethane-1,2-diylbisnitrilomethylidyne)]diphenoxyacetato}zinc(II) methanol
solvate
;
loop_
    _publ_author_name
    _publ_author_address
    'Jing Wang'
;
Department of Chemistry
Northeast Normal University
Changchun 130024
People's Republic of China
;
    'Dong-Sheng Zhu'
;
Department of Chemistry
Northeast Normal University
Changchun 130024
People's Republic of China
;
    'Kui-Zhan Shao'
;
Department of Chemistry
Northeast Normal University
Changchun 130024
People's Republic of China
;
    'Lin Xu'
;
Department of Chemistry
Northeast Normal University
Changchun 130024
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
{2,2'-[Ethane-1,2-diylbisnitrilomethylidyne)]diphenoxyacetato}zinc(II)
methanol solvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C20 H18 N2 O6 Zn, C H4 O'
_chemical_formula_sum     'C21 H22 N2 O7 Zn'
_chemical_formula_iupac     '[Zn (C20 H18 N2 O6)], C H4 O'
_chemical_formula_weight     479.78
_chemical_melting_point     'not measured'
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     8.200(2)
_cell_length_b     18.274(5)
_cell_length_c     14.191(4)
_cell_angle_alpha     90.000
_cell_angle_beta     101.974(5)
_cell_angle_gamma     90.000
_cell_volume     2080.1(10)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     11738
_cell_measurement_theta_min     1.8
_cell_measurement_theta_max     26.1
_cell_measurement_temperature     293(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.45
_exptl_crystal_size_mid     0.33
_exptl_crystal_size_min     0.26
_exptl_crystal_density_diffrn     1.532
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     992
_exptl_absorpt_coefficient_mu     1.227
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.268
_exptl_absorpt_correction_T_max     0.304
_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 area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     11533
_diffrn_reflns_av_R_equivalents     0.0646
_diffrn_reflns_av_sigmaI/netI     0.0896
_diffrn_reflns_theta_min     1.8
_diffrn_reflns_theta_max     26.1
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.988
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -22
_diffrn_reflns_limit_k_max     19
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     14
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_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     4073
_reflns_number_gt     2426
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0945
_refine_ls_R_factor_gt     0.0477
_refine_ls_wR_factor_gt     0.0615
_refine_ls_wR_factor_ref     0.0700
_refine_ls_goodness_of_fit_ref     0.937
_refine_ls_restrained_S_all     0.937
_refine_ls_number_reflns     4073
_refine_ls_number_parameters     296
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0113P)²] 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     0.614
_refine_diff_density_min     -0.361
_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'
    'Zn' 'Zn' 0.2839 1.4301
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 1998)'
_computing_cell_refinement     'SAINT (Bruker, 1998)'
_computing_data_reduction     SAINT
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL (Bruker, 1998)'
_computing_publication_material     SHELXTL
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_disorder_assembly
    _atom_site_disorder_group
    C C1 0.8741(4) 0.58214(18) 0.3839(3) 0.0363(9) Uani d . 1 . .
    C C2 0.9436(4) 0.59396(16) 0.4902(2) 0.0437(10) Uani d . 1 . .
    H H2A 0.8987 0.5577 0.5278 0.052 Uiso calc R 1 . .
    H H2B 1.0640 0.5893 0.5039 0.052 Uiso calc R 1 . .
    C C3 0.9477(4) 0.68950(19) 0.6066(2) 0.0387(9) Uani d . 1 . .
    C C4 1.0407(4) 0.64762(19) 0.6792(3) 0.0511(10) Uani d . 1 . .
    H H4 1.0697 0.5999 0.6669 0.061 Uiso calc R 1 . .
    C C5 1.0903(5) 0.6770(2) 0.7700(3) 0.0579(12) Uani d . 1 . .
    H H5 1.1525 0.6487 0.8189 0.069 Uiso calc R 1 . .
    C C6 1.0498(5) 0.7469(2) 0.7893(3) 0.0587(11) Uani d . 1 . .
    H H6 1.0825 0.7659 0.8511 0.070 Uiso calc R 1 . .
    C C7 0.9602(5) 0.7893(2) 0.7164(3) 0.0542(11) Uani d . 1 . .
    H H7 0.9357 0.8375 0.7293 0.065 Uiso calc R 1 . .
    C C8 0.9053(4) 0.76148(19) 0.6237(3) 0.0415(10) Uani d . 1 . .
    C C9 0.8126(4) 0.81176(19) 0.5518(3) 0.0486(10) Uani d . 1 . .
    H H9 0.8181 0.8612 0.5675 0.058 Uiso calc R 1 . .
    C C10 0.6398(5) 0.85461(17) 0.4098(3) 0.0607(11) Uani d . 1 . .
    H H10A 0.7026 0.8997 0.4242 0.073 Uiso calc R 1 . .
    H H10B 0.5294 0.8620 0.4227 0.073 Uiso calc R 1 . .
    C C11 0.6274(5) 0.83382(19) 0.3057(3) 0.0614(12) Uani d . 1 . .
    H H11A 0.5611 0.8696 0.2639 0.074 Uiso calc R 1 . .
    H H11B 0.7376 0.8322 0.2908 0.074 Uiso calc R 1 . .
    C C12 0.4580(5) 0.7475(2) 0.2080(3) 0.0535(11) Uani d . 1 . .
    H H12 0.4491 0.7849 0.1627 0.064 Uiso calc R 1 . .
    C C13 0.3677(4) 0.6807(2) 0.1760(3) 0.0463(10) Uani d . 1 . .
    C C14 0.3032(5) 0.6743(2) 0.0774(3) 0.0675(13) Uani d . 1 . .
    H H14 0.3197 0.7122 0.0366 0.081 Uiso calc R 1 . .
    C C15 0.2157(5) 0.6133(3) 0.0392(3) 0.0745(14) Uani d . 1 . .
    H H15 0.1770 0.6091 -0.0270 0.089 Uiso calc R 1 . .
    C C16 0.1862(5) 0.5587(2) 0.0997(3) 0.0683(13) Uani d . 1 . .
    H H16 0.1255 0.5177 0.0744 0.082 Uiso calc R 1 . .
    C C17 0.2458(4) 0.5638(2) 0.1982(3) 0.0552(11) Uani d . 1 . .
    H H17 0.2244 0.5265 0.2385 0.066 Uiso calc R 1 . .
    C C18 0.3368(4) 0.6243(2) 0.2367(3) 0.0417(9) Uani d . 1 . .
    C C19 0.3648(4) 0.57910(17) 0.3991(2) 0.0458(10) Uani d . 1 . .
    H H19A 0.4224 0.5345 0.3885 0.055 Uiso calc R 1 . .
    H H19B 0.2466 0.5685 0.3896 0.055 Uiso calc R 1 . .
    C C20 0.4294(5) 0.6068(2) 0.5003(3) 0.0467(10) Uani d . 1 . .
    C C21 0.6468(8) 0.5110(5) 0.1450(6) 0.0838(19) Uani d . 1 . .
    N N1 0.7252(4) 0.79432(14) 0.4700(2) 0.0479(8) Uani d . 1 . .
    N N2 0.5483(4) 0.76137(16) 0.2909(2) 0.0461(8) Uani d . 1 . .
    O O1 0.8973(3) 0.66543(11) 0.51419(16) 0.0464(7) Uani d . 1 . .
    O O2 0.9454(3) 0.53682(11) 0.34253(17) 0.0469(7) Uani d . 1 . .
    O O3 0.7490(3) 0.62015(11) 0.34458(16) 0.0433(6) Uani d . 1 . .
    O O4 0.3930(3) 0.63453(11) 0.33277(17) 0.0449(6) Uani d . 1 . .
    O O5 0.3814(3) 0.57506(14) 0.56578(19) 0.0697(8) Uani d . 1 . .
    O O6 0.5325(3) 0.65986(12) 0.51064(16) 0.0512(7) Uani d . 1 . .
    O O7 0.8187(4) 0.50995(14) 0.1495(2) 0.0654(9) Uani d . 1 . .
    Zn Zn1 0.63891(5) 0.69486(2) 0.40859(3) 0.04183(14) Uani d . 1 . .
    H H21A 0.611(7) 0.554(3) 0.148(4) 0.15(3) Uiso d . 1 . .
    H H21B 0.602(6) 0.497(2) 0.088(3) 0.11(2) Uiso d . 1 . .
    H H21C 0.632(6) 0.478(2) 0.193(3) 0.12(2) Uiso d . 1 . .
    H H7O 0.862(5) 0.516(2) 0.213(3) 0.109(19) Uiso d . 1 . .
_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
    C1 O2 . 1.231(4) ?
    C1 O3 . 1.268(3) ?
    C1 C2 . 1.512(4) ?
    C2 O1 . 1.421(3) ?
    C2 H2A . 0.9700 ?
    C2 H2B . 0.9700 ?
    C3 O1 . 1.363(4) ?
    C3 C4 . 1.379(4) ?
    C3 C8 . 1.395(4) ?
    C4 C5 . 1.377(4) ?
    C4 H4 . 0.9300 ?
    C5 C6 . 1.362(4) ?
    C5 H5 . 0.9300 ?
    C6 C7 . 1.376(4) ?
    C6 H6 . 0.9300 ?
    C7 C8 . 1.396(4) ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.463(4) ?
    C9 N1 . 1.272(4) ?
    C9 H9 . 0.9300 ?
    C10 N1 . 1.478(4) ?
    C10 C11 . 1.508(5) ?
    C10 H10A . 0.9700 ?
    C10 H10B . 0.9700 ?
    C11 N2 . 1.470(4) ?
    C11 H11A . 0.9700 ?
    C11 H11B . 0.9700 ?
    C12 N2 . 1.278(4) ?
    C12 C13 . 1.452(5) ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.394(5) ?
    C13 C18 . 1.399(4) ?
    C14 C15 . 1.376(5) ?
    C14 H14 . 0.9300 ?
    C15 C16 . 1.370(5) ?
    C15 H15 . 0.9300 ?
    C16 C17 . 1.384(5) ?
    C16 H16 . 0.9300 ?
    C17 C18 . 1.382(4) ?
    C17 H17 . 0.9300 ?
    C18 O4 . 1.358(4) ?
    C19 O4 . 1.434(3) ?
    C19 C20 . 1.510(4) ?
    C19 H19A . 0.9700 ?
    C19 H19B . 0.9700 ?
    C20 O5 . 1.228(4) ?
    C20 O6 . 1.275(4) ?
    C21 O7 . 1.398(6) ?
    C21 H21A . 0.85(5) ?
    C21 H21B . 0.85(4) ?
    C21 H21C . 0.94(4) ?
    N1 Zn1 . 2.075(3) yes
    N2 Zn1 . 2.074(3) yes
    O1 Zn1 . 2.389(2) yes
    O3 Zn1 . 1.961(2) yes
    O4 Zn1 . 2.353(2) yes
    O6 Zn1 . 1.947(3) yes
    O7 H7O . 0.91(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
    _geom_angle_publ_flag
    O2 C1 O3 . . 125.4(3) ?
    O2 C1 C2 . . 117.0(3) ?
    O3 C1 C2 . . 117.6(3) ?
    O1 C2 C1 . . 107.8(3) ?
    O1 C2 H2A . . 110.1 ?
    C1 C2 H2A . . 110.1 ?
    O1 C2 H2B . . 110.1 ?
    C1 C2 H2B . . 110.1 ?
    H2A C2 H2B . . 108.5 ?
    O1 C3 C4 . . 123.3(3) ?
    O1 C3 C8 . . 115.8(3) ?
    C4 C3 C8 . . 120.8(3) ?
    C5 C4 C3 . . 119.5(3) ?
    C5 C4 H4 . . 120.3 ?
    C3 C4 H4 . . 120.3 ?
    C6 C5 C4 . . 121.2(4) ?
    C6 C5 H5 . . 119.4 ?
    C4 C5 H5 . . 119.4 ?
    C5 C6 C7 . . 119.4(4) ?
    C5 C6 H6 . . 120.3 ?
    C7 C6 H6 . . 120.3 ?
    C6 C7 C8 . . 121.4(4) ?
    C6 C7 H7 . . 119.3 ?
    C8 C7 H7 . . 119.3 ?
    C3 C8 C7 . . 117.7(3) ?
    C3 C8 C9 . . 125.7(3) ?
    C7 C8 C9 . . 116.6(3) ?
    N1 C9 C8 . . 126.3(3) ?
    N1 C9 H9 . . 116.9 ?
    C8 C9 H9 . . 116.9 ?
    N1 C10 C11 . . 107.8(3) ?
    N1 C10 H10A . . 110.2 ?
    C11 C10 H10A . . 110.2 ?
    N1 C10 H10B . . 110.2 ?
    C11 C10 H10B . . 110.2 ?
    H10A C10 H10B . . 108.5 ?
    N2 C11 C10 . . 107.8(3) ?
    N2 C11 H11A . . 110.2 ?
    C10 C11 H11A . . 110.2 ?
    N2 C11 H11B . . 110.2 ?
    C10 C11 H11B . . 110.2 ?
    H11A C11 H11B . . 108.5 ?
    N2 C12 C13 . . 127.9(4) ?
    N2 C12 H12 . . 116.0 ?
    C13 C12 H12 . . 116.0 ?
    C14 C13 C18 . . 118.5(4) ?
    C14 C13 C12 . . 116.5(4) ?
    C18 C13 C12 . . 124.9(4) ?
    C15 C14 C13 . . 121.4(4) ?
    C15 C14 H14 . . 119.3 ?
    C13 C14 H14 . . 119.3 ?
    C16 C15 C14 . . 119.2(4) ?
    C16 C15 H15 . . 120.4 ?
    C14 C15 H15 . . 120.4 ?
    C15 C16 C17 . . 120.9(4) ?
    C15 C16 H16 . . 119.6 ?
    C17 C16 H16 . . 119.6 ?
    C16 C17 C18 . . 120.1(4) ?
    C16 C17 H17 . . 119.9 ?
    C18 C17 H17 . . 119.9 ?
    O4 C18 C17 . . 123.4(3) ?
    O4 C18 C13 . . 116.7(3) ?
    C17 C18 C13 . . 119.8(4) ?
    O4 C19 C20 . . 108.3(3) ?
    O4 C19 H19A . . 110.0 ?
    C20 C19 H19A . . 110.0 ?
    O4 C19 H19B . . 110.0 ?
    C20 C19 H19B . . 110.0 ?
    H19A C19 H19B . . 108.4 ?
    O5 C20 O6 . . 125.5(4) ?
    O5 C20 C19 . . 117.2(4) ?
    O6 C20 C19 . . 117.3(3) ?
    O7 C21 H21A . . 111(4) ?
    O7 C21 H21B . . 106(3) ?
    H21A C21 H21B . . 104(5) ?
    O7 C21 H21C . . 104(3) ?
    H21A C21 H21C . . 118(5) ?
    H21B C21 H21C . . 114(4) ?
    C9 N1 C10 . . 116.7(3) ?
    C9 N1 Zn1 . . 132.9(3) ?
    C10 N1 Zn1 . . 109.3(2) ?
    C12 N2 C11 . . 117.6(3) ?
    C12 N2 Zn1 . . 131.9(3) ?
    C11 N2 Zn1 . . 109.8(2) ?
    C3 O1 C2 . . 119.0(3) ?
    C3 O1 Zn1 . . 125.7(2) ?
    C2 O1 Zn1 . . 107.62(18) ?
    C1 O3 Zn1 . . 125.8(2) ?
    C18 O4 C19 . . 119.6(3) ?
    C18 O4 Zn1 . . 127.1(2) ?
    C19 O4 Zn1 . . 105.69(19) ?
    C20 O6 Zn1 . . 123.5(2) ?
    C21 O7 H7O . . 103(3) ?
    O6 Zn1 O3 . . 115.86(9) yes
    O6 Zn1 N1 . . 98.17(11) yes
    O3 Zn1 N1 . . 130.87(11) yes
    O6 Zn1 N2 . . 130.56(11) yes
    O3 Zn1 N2 . . 99.06(11) yes
    N1 Zn1 N2 . . 81.87(12) yes
    O6 Zn1 O4 . . 73.30(9) yes
    O3 Zn1 O4 . . 83.98(9) yes
    N1 Zn1 O4 . . 141.94(10) yes
    N2 Zn1 O4 . . 77.09(10) yes
    O6 Zn1 O1 . . 86.29(9) yes
    O3 Zn1 O1 . . 72.55(9) yes
    N1 Zn1 O1 . . 75.70(9) yes
    N2 Zn1 O1 . . 139.46(10) yes
    O4 Zn1 O1 . . 138.21(7) yes
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
    O2 C1 C2 O1 . . . . 155.3(3) ?
    O3 C1 C2 O1 . . . . -23.9(4) ?
    O1 C3 C4 C5 . . . . 178.2(3) ?
    C8 C3 C4 C5 . . . . 0.9(6) ?
    C3 C4 C5 C6 . . . . -0.3(6) ?
    C4 C5 C6 C7 . . . . -1.1(6) ?
    C5 C6 C7 C8 . . . . 2.0(6) ?
    O1 C3 C8 C7 . . . . -177.5(3) ?
    C4 C3 C8 C7 . . . . 0.0(5) ?
    O1 C3 C8 C9 . . . . 0.2(5) ?
    C4 C3 C8 C9 . . . . 177.7(3) ?
    C6 C7 C8 C3 . . . . -1.4(6) ?
    C6 C7 C8 C9 . . . . -179.4(3) ?
    C3 C8 C9 N1 . . . . 16.8(6) ?
    C7 C8 C9 N1 . . . . -165.4(4) ?
    N1 C10 C11 N2 . . . . 53.5(4) ?
    N2 C12 C13 C14 . . . . -168.7(4) ?
    N2 C12 C13 C18 . . . . 13.6(6) ?
    C18 C13 C14 C15 . . . . -2.2(6) ?
    C12 C13 C14 C15 . . . . 179.9(4) ?
    C13 C14 C15 C16 . . . . 2.4(6) ?
    C14 C15 C16 C17 . . . . -1.1(7) ?
    C15 C16 C17 C18 . . . . -0.3(6) ?
    C16 C17 C18 O4 . . . . 177.1(3) ?
    C16 C17 C18 C13 . . . . 0.5(5) ?
    C14 C13 C18 O4 . . . . -176.1(3) ?
    C12 C13 C18 O4 . . . . 1.6(5) ?
    C14 C13 C18 C17 . . . . 0.7(5) ?
    C12 C13 C18 C17 . . . . 178.4(3) ?
    O4 C19 C20 O5 . . . . 163.1(3) ?
    O4 C19 C20 O6 . . . . -18.7(4) ?
    C8 C9 N1 C10 . . . . 178.9(3) ?
    C8 C9 N1 Zn1 . . . . 11.8(6) ?
    C11 C10 N1 C9 . . . . 149.2(3) ?
    C11 C10 N1 Zn1 . . . . -40.8(3) ?
    C13 C12 N2 C11 . . . . -180.0(3) ?
    C13 C12 N2 Zn1 . . . . 10.8(6) ?
    C10 C11 N2 C12 . . . . 148.3(3) ?
    C10 C11 N2 Zn1 . . . . -40.2(3) ?
    C4 C3 O1 C2 . . . . -0.7(5) ?
    C8 C3 O1 C2 . . . . 176.7(3) ?
    C4 C3 O1 Zn1 . . . . 144.7(3) ?
    C8 C3 O1 Zn1 . . . . -37.9(4) ?
    C1 C2 O1 C3 . . . . -179.1(3) ?
    C1 C2 O1 Zn1 . . . . 29.8(3) ?
    O2 C1 O3 Zn1 . . . . -177.8(2) ?
    C2 C1 O3 Zn1 . . . . 1.3(4) ?
    C17 C18 O4 C19 . . . . 3.0(5) ?
    C13 C18 O4 C19 . . . . 179.7(3) ?
    C17 C18 O4 Zn1 . . . . 148.1(3) ?
    C13 C18 O4 Zn1 . . . . -35.2(4) ?
    C20 C19 O4 C18 . . . . -176.3(3) ?
    C20 C19 O4 Zn1 . . . . 32.0(3) ?
    O5 C20 O6 Zn1 . . . . 167.0(3) ?
    C19 C20 O6 Zn1 . . . . -11.1(4) ?
    C20 O6 Zn1 O3 . . . . -51.6(3) ?
    C20 O6 Zn1 N1 . . . . 164.9(3) ?
    C20 O6 Zn1 N2 . . . . 78.6(3) ?
    C20 O6 Zn1 O4 . . . . 22.9(2) ?
    C20 O6 Zn1 O1 . . . . -120.1(3) ?
    C1 O3 Zn1 O6 . . . . -64.3(3) ?
    C1 O3 Zn1 N1 . . . . 64.6(3) ?
    C1 O3 Zn1 N2 . . . . 151.7(3) ?
    C1 O3 Zn1 O4 . . . . -132.4(3) ?
    C1 O3 Zn1 O1 . . . . 12.5(2) ?
    C9 N1 Zn1 O6 . . . . 52.7(4) ?
    C10 N1 Zn1 O6 . . . . -115.1(2) ?
    C9 N1 Zn1 O3 . . . . -82.3(4) ?
    C10 N1 Zn1 O3 . . . . 110.0(2) ?
    C9 N1 Zn1 N2 . . . . -177.3(4) ?
    C10 N1 Zn1 N2 . . . . 15.0(2) ?
    C9 N1 Zn1 O4 . . . . 126.0(3) ?
    C10 N1 Zn1 O4 . . . . -41.8(3) ?
    C9 N1 Zn1 O1 . . . . -31.3(3) ?
    C10 N1 Zn1 O1 . . . . 160.9(3) ?
    C12 N2 Zn1 O6 . . . . -82.1(4) ?
    C11 N2 Zn1 O6 . . . . 108.1(2) ?
    C12 N2 Zn1 O3 . . . . 53.8(4) ?
    C11 N2 Zn1 O3 . . . . -116.0(2) ?
    C12 N2 Zn1 N1 . . . . -175.9(4) ?
    C11 N2 Zn1 N1 . . . . 14.2(2) ?
    C12 N2 Zn1 O4 . . . . -27.9(3) ?
    C11 N2 Zn1 O4 . . . . 162.3(2) ?
    C12 N2 Zn1 O1 . . . . 127.5(3) ?
    C11 N2 Zn1 O1 . . . . -42.3(3) ?
    C18 O4 Zn1 O6 . . . . -178.6(3) ?
    C19 O4 Zn1 O6 . . . . -29.7(2) ?
    C18 O4 Zn1 O3 . . . . -59.3(2) ?
    C19 O4 Zn1 O3 . . . . 89.6(2) ?
    C18 O4 Zn1 N1 . . . . 99.6(3) ?
    C19 O4 Zn1 N1 . . . . -111.5(2) ?
    C18 O4 Zn1 N2 . . . . 41.4(2) ?
    C19 O4 Zn1 N2 . . . . -169.7(2) ?
    C18 O4 Zn1 O1 . . . . -114.6(2) ?
    C19 O4 Zn1 O1 . . . . 34.4(3) ?
    C3 O1 Zn1 O6 . . . . -53.8(3) ?
    C2 O1 Zn1 O6 . . . . 94.8(2) ?
    C3 O1 Zn1 O3 . . . . -172.4(3) ?
    C2 O1 Zn1 O3 . . . . -23.81(19) ?
    C3 O1 Zn1 N1 . . . . 45.6(3) ?
    C2 O1 Zn1 N1 . . . . -165.8(2) ?
    C3 O1 Zn1 N2 . . . . 104.1(3) ?
    C2 O1 Zn1 N2 . . . . -107.3(2) ?
    C3 O1 Zn1 O4 . . . . -113.5(2) ?
    C2 O1 Zn1 O4 . . . . 35.1(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
    _geom_hbond_publ_flag
    O7 H7O O2 . 0.91(4) 1.86(4) 2.764(4) 174(4) ?
