##############################################################################
###                                                                        ###
###        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 2.4.    #
#                                                                            #
# 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                                                              #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
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data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2008-04-19
_journal_date_accepted     2008-04-20
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2008
_journal_volume     64
_journal_issue      5
_journal_page_first     m738
_journal_page_last     m739
_journal_paper_category     QM
_journal_coeditor_code     CI2585
_publ_contact_author_name     'Prof. Fun Hoong Kun'
_publ_contact_author_address
;
      X-ray Crystallography Unit
      School of Physics
      Universiti Sains Malaysia
      11800 USM, Penang
      MALAYSIA
;
_publ_contact_author_email     hkfun@usm.my
_publ_contact_author_fax     '6 04 6579150'
_publ_contact_author_phone     '6 04 6577888  Ext. 3690'
_publ_section_title
;\
(Acetone-κO){6,6'-di-tert-butyl-2,2'-[1,2-\
phenylenebis(nitrilomethylidyne)]diphenolato-κ⁴O,N,N',\
O'}zinc(II)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Naser Eltaher Eltayeb'
;
      On study leave from International University of Africa, Sudan.
      E-mail: nasertaha90@hotmail.com.
;
;     School of Chemical Science
      Universiti Sains Malaysia
      11800 USM, Penang
      Malaysia
;
    'Siang Guan Teoh' ?
;     School of Chemical Science
      Universiti Sains Malaysia
      11800 USM, Penang
      Malaysia
;
    'Suchada Chantrapromma'
;
      Additional correspondence author, e-mail: suchada.c@psu.ac.th.
;
;     Department of Chemistry
      Faculty of Science
      Prince of Songkla University
      Hat-Yai, Songkhla 90112
      Thailand
;
    'Hoong-Kun Fun' ?
;     X-ray Crystallography Unit
      School of Physics
      Universiti Sains Malaysia
      11800 USM, Penang
      Malaysia
;
    'Rohana Adnan' ?
;     School of Chemical Science
      Universiti Sains Malaysia
      11800 USM, Penang
      Malaysia
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;\
(Acetone-κO){6,6'-di-tert-butyl-
2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-
κ⁴O,N,N',O'}zinc(II)
;
_chemical_name_common
;
;
_chemical_formula_moiety     'C31 H36 N2 O3 Zn'
_chemical_formula_sum     'C31 H36 N2 O3 Zn'
_chemical_formula_iupac     '[Zn (C28 H30 N2 O2) (C3 H6 O)]'
_chemical_formula_weight     550.11
_chemical_melting_point     ?
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'C 2/m'
_symmetry_space_group_name_Hall     '-C 2y'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y, -z'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z'
    '-x, -y, -z'
    'x, -y, z'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z'
_cell_length_a     10.5803(16)
_cell_length_b     16.3602(19)
_cell_length_c     15.729(2)
_cell_angle_alpha     90.00
_cell_angle_beta     94.446(10)
_cell_angle_gamma     90.00
_cell_volume     2714.4(6)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     2756
_cell_measurement_theta_min     2.30
_cell_measurement_theta_max     26.00
_cell_measurement_temperature     100.00(10)
_exptl_crystal_description     Plate
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.57
_exptl_crystal_size_mid     0.24
_exptl_crystal_size_min     0.07
_exptl_crystal_density_diffrn     1.346
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1160
_exptl_absorpt_coefficient_mu     0.940
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2005)'
_exptl_absorpt_correction_T_min     0.6155
_exptl_absorpt_correction_T_max     0.9354
_exptl_special_details
;
The low-temperature data was collected with the Oxford Cyrosystem Cobra
low-temperature attachment.
;
_diffrn_ambient_temperature     100.00(10)
_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 APEXII CCD area-detector
;
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     8.33
_diffrn_reflns_number     29567
_diffrn_reflns_av_R_equivalents     0.0895
_diffrn_reflns_av_sigmaI/netI     0.0388
_diffrn_reflns_theta_min     2.30
_diffrn_reflns_theta_max     26.00
_diffrn_reflns_theta_full     26.00
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -20
_diffrn_reflns_limit_k_max     20
_diffrn_reflns_limit_l_min     -19
_diffrn_reflns_limit_l_max     19
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_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 >
σ(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     2756
_reflns_number_gt     2613
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0759
_refine_ls_R_factor_gt     0.0732
_refine_ls_wR_factor_gt     0.1887
_refine_ls_wR_factor_ref     0.1904
_refine_ls_goodness_of_fit_ref     1.198
_refine_ls_restrained_S_all     1.198
_refine_ls_number_reflns     2756
_refine_ls_number_parameters     178
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
        'calc w=1/[σ²(Fo²)+(0.0669P)²+29.8359P] 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     1.504
_refine_diff_density_min     -1.152
_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     'APEX2 (Bruker, 2005)'
_computing_cell_refinement     'APEX2 (Bruker, 2005)'
_computing_data_reduction     'SAINT (Bruker, 2005)'
_computing_structure_solution     'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2003)
;
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
    Zn Zn1 0.50605(6) 0.0000 0.18490(4) 0.0170(3) Uani d S 1 . .
    O O1 0.6013(3) 0.0895(2) 0.2409(2) 0.0271(8) Uani d . 1 . .
    O O2 0.3336(4) 0.0000 0.2526(3) 0.0231(11) Uani d S 1 . .
    N N1 0.4250(3) 0.0807(3) 0.0944(2) 0.0208(9) Uani d . 1 . .
    C C1 0.6146(4) 0.1649(3) 0.2177(3) 0.0185(10) Uani d . 1 . .
    C C2 0.7084(4) 0.2160(3) 0.2638(3) 0.0213(10) Uani d . 1 . .
    C C3 0.7224(5) 0.2950(3) 0.2378(3) 0.0264(11) Uani d . 1 . .
    H H3A 0.7845 0.3269 0.2666 0.032 Uiso calc R 1 . .
    C C4 0.6474(5) 0.3306(4) 0.1694(3) 0.0316(12) Uani d . 1 . .
    H H4A 0.6589 0.3849 0.1543 0.038 Uiso calc R 1 . .
    C C5 0.5578(4) 0.2836(3) 0.1261(3) 0.0251(11) Uani d . 1 . .
    H H5A 0.5069 0.3064 0.0814 0.030 Uiso calc R 1 . .
    C C6 0.5411(4) 0.2014(3) 0.1477(3) 0.0197(10) Uani d . 1 . .
    C C7 0.4485(4) 0.1576(3) 0.0931(3) 0.0186(10) Uani d . 1 . .
    H H7A 0.4008 0.1884 0.0526 0.022 Uiso calc R 1 . .
    C C8 0.3366(4) 0.0429(3) 0.0341(3) 0.0206(10) Uani d . 1 . .
    C C9 0.2534(4) 0.0848(4) -0.0238(3) 0.0227(10) Uani d . 1 . .
    H H9A 0.2520 0.1417 -0.0234 0.027 Uiso calc R 1 . .
    C C10 0.1733(4) 0.0427(4) -0.0815(3) 0.0260(11) Uani d . 1 . .
    H H10A 0.1171 0.0717 -0.1217 0.031 Uiso d R 1 . .
    C C11 0.7916(4) 0.1815(3) 0.3403(3) 0.0230(11) Uani d . 1 . .
    C C12 0.8813(6) 0.2459(5) 0.3807(4) 0.0481(18) Uani d . 1 . .
    H H12A 0.8329 0.2907 0.4005 0.072 Uiso calc R 1 . .
    H H12B 0.9361 0.2653 0.3392 0.072 Uiso calc R 1 . .
    H H12C 0.9314 0.2223 0.4279 0.072 Uiso calc R 1 . .
    C C13 0.8731(6) 0.1118(5) 0.3111(4) 0.057(2) Uani d . 1 . .
    H H13A 0.9317 0.1325 0.2727 0.086 Uiso calc R 1 . .
    H H13B 0.8198 0.0712 0.2825 0.086 Uiso calc R 1 . .
    H H13C 0.9192 0.0877 0.3598 0.086 Uiso calc R 1 . .
    C C14 0.7089(5) 0.1515(5) 0.4096(3) 0.0411(17) Uani d . 1 . .
    H H14A 0.6484 0.1930 0.4212 0.062 Uiso calc R 1 . .
    H H14B 0.7614 0.1399 0.4607 0.062 Uiso calc R 1 . .
    H H14C 0.6649 0.1027 0.3905 0.062 Uiso calc R 1 . .
    C C15 0.3125(6) 0.0000 0.3276(4) 0.0202(14) Uani d S 1 . .
    C C16 0.4167(6) 0.0000 0.3977(4) 0.0337(19) Uani d S 1 . .
    H H16A 0.4975 0.0000 0.3738 0.051 Uiso d SR 1 . .
    H H16B 0.4088 -0.0479 0.4325 0.051 Uiso d R 1 . .
    C C17 0.1792(7) 0.0000 0.3533(5) 0.037(2) Uani d S 1 . .
    H H17A 0.1213 0.0000 0.3031 0.055 Uiso d SR 1 . .
    H H17B 0.1646 -0.0479 0.3868 0.055 Uiso d R 1 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    Zn1 0.0076(4) 0.0354(5) 0.0077(4) 0.000 -0.0021(2) 0.000
    O1 0.0237(17) 0.040(2) 0.0163(16) -0.0073(15) -0.0093(13) 0.0022(15)
    O2 0.013(2) 0.041(3) 0.015(2) 0.000 0.0024(17) 0.000
    N1 0.0078(16) 0.047(3) 0.0077(16) -0.0002(17) -0.0016(13) -0.0003(16)
    C1 0.0103(19) 0.035(3) 0.0099(19) 0.0010(18) 0.0022(15) -0.0028(18)
    C2 0.0092(19) 0.048(3) 0.0070(19) -0.004(2) 0.0026(15) -0.0035(19)
    C3 0.022(2) 0.041(3) 0.017(2) -0.010(2) -0.0006(18) -0.001(2)
    C4 0.032(3) 0.045(3) 0.018(2) -0.010(2) 0.000(2) 0.001(2)
    C5 0.022(2) 0.042(3) 0.012(2) 0.000(2) 0.0012(17) 0.002(2)
    C6 0.0091(19) 0.042(3) 0.0086(19) -0.0013(19) 0.0027(15) -0.0027(19)
    C7 0.0098(19) 0.036(3) 0.010(2) 0.0016(18) -0.0002(15) 0.0029(18)
    C8 0.0071(18) 0.048(3) 0.0069(18) 0.0005(19) 0.0013(15) -0.0008(18)
    C9 0.015(2) 0.041(3) 0.012(2) 0.000(2) 0.0003(16) 0.0039(19)
    C10 0.015(2) 0.050(3) 0.012(2) 0.004(2) -0.0046(17) 0.002(2)
    C11 0.012(2) 0.047(3) 0.010(2) -0.002(2) 0.0007(16) -0.002(2)
    C12 0.039(3) 0.079(5) 0.023(3) -0.027(3) -0.017(2) 0.010(3)
    C13 0.037(3) 0.112(7) 0.021(3) 0.041(4) -0.015(2) -0.018(3)
    C14 0.015(2) 0.094(5) 0.014(2) -0.010(3) -0.0021(18) 0.015(3)
    C15 0.009(3) 0.036(4) 0.016(3) 0.000 0.002(2) 0.000
    C16 0.016(3) 0.069(6) 0.016(3) 0.000 -0.001(3) 0.000
    C17 0.015(3) 0.075(6) 0.021(4) 0.000 0.007(3) 0.000
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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
    Zn1 O1 6 1.949(4) ?
    Zn1 O1 . 1.949(4) ?
    Zn1 N1 . 2.078(4) ?
    Zn1 N1 6 2.078(4) ?
    Zn1 O2 . 2.182(4) ?
    O1 C1 . 1.296(6) ?
    O2 C15 . 1.218(8) ?
    N1 C7 . 1.283(7) ?
    N1 C8 . 1.420(6) ?
    C1 C6 . 1.430(6) ?
    C1 C2 . 1.449(6) ?
    C2 C3 . 1.367(8) ?
    C2 C11 . 1.541(6) ?
    C3 C4 . 1.412(7) ?
    C3 H3A . 0.93 ?
    C4 C5 . 1.362(7) ?
    C4 H4A . 0.93 ?
    C5 C6 . 1.401(8) ?
    C5 H5A . 0.93 ?
    C6 C7 . 1.442(6) ?
    C7 H7A . 0.93 ?
    C8 C9 . 1.396(6) ?
    C8 C8 6 1.404(11) ?
    C9 C10 . 1.378(7) ?
    C9 H9A . 0.93 ?
    C10 C10 6 1.396(12) ?
    C10 H10A . 0.96 ?
    C11 C13 . 1.522(8) ?
    C11 C12 . 1.523(8) ?
    C11 C14 . 1.532(6) ?
    C12 H12A . 0.96 ?
    C12 H12B . 0.96 ?
    C12 H12C . 0.96 ?
    C13 H13A . 0.96 ?
    C13 H13B . 0.96 ?
    C13 H13C . 0.96 ?
    C14 H14A . 0.96 ?
    C14 H14B . 0.96 ?
    C14 H14C . 0.96 ?
    C15 C17 . 1.497(9) ?
    C15 C16 . 1.498(9) ?
    C16 H16A . 0.96 ?
    C16 H16B . 0.96 ?
    C17 H17A . 0.96 ?
    C17 H17B . 0.96 ?
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 Zn1 O1 6 . 97.4(2) ?
    O1 Zn1 N1 6 . 163.48(15) ?
    O1 Zn1 N1 . . 90.24(15) ?
    O1 Zn1 N1 6 6 90.23(15) ?
    O1 Zn1 N1 . 6 163.48(15) ?
    N1 Zn1 N1 . 6 78.9(2) ?
    O1 Zn1 O2 6 . 101.67(13) ?
    O1 Zn1 O2 . . 101.67(13) ?
    N1 Zn1 O2 . . 91.02(13) ?
    N1 Zn1 O2 6 . 91.02(13) ?
    C1 O1 Zn1 . . 130.6(3) ?
    C15 O2 Zn1 . . 134.1(4) ?
    C7 N1 C8 . . 122.3(4) ?
    C7 N1 Zn1 . . 124.3(3) ?
    C8 N1 Zn1 . . 113.4(3) ?
    O1 C1 C6 . . 123.4(4) ?
    O1 C1 C2 . . 119.6(4) ?
    C6 C1 C2 . . 117.0(4) ?
    C3 C2 C1 . . 118.8(4) ?
    C3 C2 C11 . . 120.7(4) ?
    C1 C2 C11 . . 120.4(5) ?
    C2 C3 C4 . . 123.5(5) ?
    C2 C3 H3A . . 118.3 ?
    C4 C3 H3A . . 118.3 ?
    C5 C4 C3 . . 118.4(5) ?
    C5 C4 H4A . . 120.8 ?
    C3 C4 H4A . . 120.8 ?
    C4 C5 C6 . . 121.2(5) ?
    C4 C5 H5A . . 119.4 ?
    C6 C5 H5A . . 119.4 ?
    C5 C6 C1 . . 121.1(4) ?
    C5 C6 C7 . . 115.2(4) ?
    C1 C6 C7 . . 123.7(5) ?
    N1 C7 C6 . . 127.0(4) ?
    N1 C7 H7A . . 116.5 ?
    C6 C7 H7A . . 116.5 ?
    C9 C8 C8 . 6 119.4(3) ?
    C9 C8 N1 . . 124.8(5) ?
    C8 C8 N1 6 . 115.8(3) ?
    C10 C9 C8 . . 120.5(5) ?
    C10 C9 H9A . . 119.7 ?
    C8 C9 H9A . . 119.7 ?
    C9 C10 C10 . 6 120.0(3) ?
    C9 C10 H10A . . 120.3 ?
    C10 C10 H10A 6 . 119.7 ?
    C13 C11 C12 . . 107.2(5) ?
    C13 C11 C14 . . 110.0(6) ?
    C12 C11 C14 . . 107.2(4) ?
    C13 C11 C2 . . 110.0(4) ?
    C12 C11 C2 . . 111.9(5) ?
    C14 C11 C2 . . 110.5(4) ?
    C11 C12 H12A . . 109.5 ?
    C11 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    C11 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    C11 C13 H13A . . 109.5 ?
    C11 C13 H13B . . 109.5 ?
    H13A C13 H13B . . 109.5 ?
    C11 C13 H13C . . 109.5 ?
    H13A C13 H13C . . 109.5 ?
    H13B C13 H13C . . 109.5 ?
    C11 C14 H14A . . 109.5 ?
    C11 C14 H14B . . 109.5 ?
    H14A C14 H14B . . 109.5 ?
    C11 C14 H14C . . 109.5 ?
    H14A C14 H14C . . 109.5 ?
    H14B C14 H14C . . 109.5 ?
    O2 C15 C17 . . 120.6(6) ?
    O2 C15 C16 . . 122.2(6) ?
    C17 C15 C16 . . 117.2(6) ?
    C15 C16 H16A . . 109.8 ?
    C15 C16 H16B . . 109.1 ?
    H16A C16 H16B . . 110.0 ?
    C15 C17 H17A . . 109.4 ?
    C15 C17 H17B . . 110.0 ?
    H17A C17 H17B . . 109.4 ?
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_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 Zn1 O1 C1 6 . . . 157.2(3) ?
    N1 Zn1 O1 C1 . . . . -8.1(4) ?
    N1 Zn1 O1 C1 6 . . . 40.3(8) ?
    O2 Zn1 O1 C1 . . . . -99.2(4) ?
    O1 Zn1 O2 C15 6 . . . 50.10(11) ?
    O1 Zn1 O2 C15 . . . . -50.10(11) ?
    N1 Zn1 O2 C15 . . . . -140.55(12) ?
    N1 Zn1 O2 C15 6 . . . 140.55(12) ?
    O1 Zn1 N1 C7 6 . . . -117.8(6) ?
    O1 Zn1 N1 C7 . . . . 0.1(4) ?
    N1 Zn1 N1 C7 6 . . . -167.4(3) ?
    O2 Zn1 N1 C7 . . . . 101.8(4) ?
    O1 Zn1 N1 C8 6 . . . 63.9(6) ?
    O1 Zn1 N1 C8 . . . . -178.2(3) ?
    N1 Zn1 N1 C8 6 . . . 14.3(3) ?
    O2 Zn1 N1 C8 . . . . -76.6(3) ?
    Zn1 O1 C1 C6 . . . . 10.3(6) ?
    Zn1 O1 C1 C2 . . . . -169.4(3) ?
    O1 C1 C2 C3 . . . . 179.1(4) ?
    C6 C1 C2 C3 . . . . -0.6(6) ?
    O1 C1 C2 C11 . . . . -0.4(6) ?
    C6 C1 C2 C11 . . . . 179.9(4) ?
    C1 C2 C3 C4 . . . . 1.9(7) ?
    C11 C2 C3 C4 . . . . -178.6(4) ?
    C2 C3 C4 C5 . . . . -1.1(8) ?
    C3 C4 C5 C6 . . . . -0.9(7) ?
    C4 C5 C6 C1 . . . . 2.1(7) ?
    C4 C5 C6 C7 . . . . -176.2(4) ?
    O1 C1 C6 C5 . . . . 179.0(4) ?
    C2 C1 C6 C5 . . . . -1.3(6) ?
    O1 C1 C6 C7 . . . . -2.9(7) ?
    C2 C1 C6 C7 . . . . 176.8(4) ?
    C8 N1 C7 C6 . . . . -176.1(4) ?
    Zn1 N1 C7 C6 . . . . 5.7(6) ?
    C5 C6 C7 N1 . . . . 172.7(4) ?
    C1 C6 C7 N1 . . . . -5.5(7) ?
    C7 N1 C8 C9 . . . . -10.0(6) ?
    Zn1 N1 C8 C9 . . . . 168.4(3) ?
    C7 N1 C8 C8 . . . 6 169.4(3) ?
    Zn1 N1 C8 C8 . . . 6 -12.2(3) ?
    C8 C8 C9 C10 6 . . . -1.1(5) ?
    N1 C8 C9 C10 . . . . 178.3(4) ?
    C8 C9 C10 C10 . . . 6 1.1(5) ?
    C3 C2 C11 C13 . . . . -117.0(6) ?
    C1 C2 C11 C13 . . . . 62.5(6) ?
    C3 C2 C11 C12 . . . . 2.0(6) ?
    C1 C2 C11 C12 . . . . -178.6(4) ?
    C3 C2 C11 C14 . . . . 121.3(5) ?
    C1 C2 C11 C14 . . . . -59.2(6) ?
    Zn1 O2 C15 C17 . . . . 180.0 ?
    Zn1 O2 C15 C16 . . . . 0.0000(10)
                                    ?
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
    C13 H13B O1 1_555 0.96 2.37 3.022(7) 124 y
    C14 H14C O1 1_555 0.96 2.41 2.983(6) 118 y
