##############################################################################
#                                                                            #
# 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 Acta Crystallographica 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.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_global
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_journal_date_recd_electronic     2023-03-10
_journal_date_accepted     2023-04-12
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2023
_journal_volume     79
_journal_issue      5
_journal_page_first     0
_journal_page_last     0
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989023003377
_journal_coeditor_code     YZ2031
_publ_contact_author_name     'Shtokvysh, Olherd O.'
_publ_contact_author_address
;
V. I. Vernadskii Institute of General and Inorganic Chemistry
National Academy of Sciences of Ukraine, Akad. Palladin Ave 32/34, 03680 Kyiv,
Ukraine
;
_publ_contact_author_email     'Olej@meta.ua'
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;\
Crystal structure and Hirshfeld surface analysis of
bis(μ-4-tert-butoxy-4-oxobut-2-en-2-olato)bis[(4-tert-butoxy-\
4-oxobut-2-en-2-olato)ethanolzinc(II)]
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Shtokvysh, Olherd O.' .
;
V. I. Vernadskii Institute of General and Inorganic Chemistry
National Academy of Sciences of Ukraine, Akad. Palladin Ave 32/34, Kyiv 03142,
Ukraine
;
    'Dyakonenko, Viktoriya V.' .
;
SSI "Institute for Single Crystals" National Academy of Sciences of Ukraine,
Nauki Ave 60, Kharkiv 61001,
Ukraine
V. I. Vernadskii Institute of General and Inorganic Chemistry
National Academy of Sciences of Ukraine, Akad. Palladin Ave 32/34, Kyiv 03142,
Ukraine
;
    'Koval, Lyudmila I.' .
;
V. I. Vernadskii Institute of General and Inorganic Chemistry
National Academy of Sciences of Ukraine, Akad. Palladin Ave 32/34, Kyiv 03142,
Ukraine
;
    'Pekhnyo, Vasyl I.' .
;
V. I. Vernadskii Institute of General and Inorganic Chemistry
National Academy of Sciences of Ukraine, Akad. Palladin Ave 32/34, Kyiv 03142,
Ukraine
;
_publ_section_synopsis
;\
The crystal structure of
bis(μ-4-tert-butoxy-4-oxobut-2-en-2-olato)bis[(4-tert-butoxy-\
4-oxobut-2-en-2-olato)ethanolzinc(II)] is reported and discussed.
;
data_I
_chemical_name_systematic
;\
Bis(μ-4-tert-butoxy-4-oxobut-2-en-2-olato)bis[(4-tert-\
butoxy-4-oxobut-2-en-2-olato)ethanolzinc(II)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C36 H64 O14 Zn2'
_chemical_formula_sum     'C36 H64 O14 Zn2'
_chemical_formula_iupac     '[Zn2 (C8 H13 O3)4 (C2 H6 O1)2]'
_chemical_formula_weight     851.61
_chemical_melting_point     ?
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 1 21/c 1'
_space_group_name_Hall     '-P 2ybc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     9.1689(5)
_cell_length_b     22.8882(10)
_cell_length_c     11.0743(5)
_cell_angle_alpha     90
_cell_angle_beta     103.043(5)
_cell_angle_gamma     90
_cell_volume     2264.10(19)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     2231
_cell_measurement_theta_min     3.7160
_cell_measurement_theta_max     21.8270
_cell_measurement_temperature     295.0
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.5
_exptl_crystal_size_mid     0.4
_exptl_crystal_size_min     0.2
_exptl_crystal_density_diffrn     1.249
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     904
_exptl_absorpt_coefficient_mu     1.116
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro; Rigaku OD, 2018)
;
_exptl_absorpt_correction_T_min     0.46038
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     295.00
_diffrn_source     ?
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Xcalibur, Sapphire3'
_diffrn_measurement_device     'four-circle diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     16.1827
_diffrn_reflns_number     18037
_diffrn_reflns_av_R_equivalents     0.0509
_diffrn_reflns_av_unetI/netI     0.0469
_diffrn_reflns_theta_min     3.161
_diffrn_reflns_theta_max     26.371
_diffrn_reflns_theta_full     26.000
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -28
_diffrn_reflns_limit_k_max     28
_diffrn_reflns_limit_l_min     -8
_diffrn_reflns_limit_l_max     13
_refine_special_details     ?
_reflns_number_total     4622
_reflns_number_gt     3257
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0902
_refine_ls_R_factor_gt     0.0605
_refine_ls_wR_factor_gt     0.1361
_refine_ls_wR_factor_ref     0.1535
_refine_ls_goodness_of_fit_ref     1.089
_refine_ls_restrained_S_all     1.119
_refine_ls_number_reflns     4622
_refine_ls_number_parameters     268
_refine_ls_number_restraints     53
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0617P)²+0.6818P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.561
_refine_diff_density_min     -0.343
_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'
    '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
;
CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)
;
_computing_cell_refinement
;
CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)
;
_computing_data_reduction
;
CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)
;
_computing_structure_solution
;
olex2.solve 1.5 (Bourhis et al.,  2015)
;
_computing_structure_refinement
;
SHELXL2019/3 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
Olex2 1.5 (Dolomanov et al.,  2009), Mercury 2022.3.0
(Macrae et al., 2020)
;
_computing_publication_material
;
Olex2 1.5 (Dolomanov et al.,  2009)
;
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_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Zn Zn1 0.54544(5) 0.44504(2) 0.42445(4) 0.0662(2) Uani d 1 . .
    O O1 0.3922(3) 0.47158(13) 0.2720(3) 0.0764(8) Uani d 1 . .
    O O2 0.6833(3) 0.41548(12) 0.3169(2) 0.0671(7) Uani d 1 . .
    O O3 0.7330(3) 0.38286(15) 0.1401(3) 0.0882(9) Uani d 1 . .
    O O4 0.3987(3) 0.46505(12) 0.5364(2) 0.0672(7) Uani d 1 . .
    O O5 0.4756(3) 0.35898(12) 0.4248(3) 0.0772(8) Uani d 1 . .
    O O6 0.3134(3) 0.28661(12) 0.4379(2) 0.0738(7) Uani d 1 . .
    O O7 0.7190(4) 0.43704(14) 0.5970(3) 0.0911(9) Uani d 1 . .
    C C1 0.2636(5) 0.4793(2) 0.0629(4) 0.0938(15) Uani d 1 . .
    H H1A 0.172653 0.468769 0.086530 0.141 Uiso calc 1 . .
    H H1B 0.266070 0.461221 -0.014835 0.141 Uiso calc 1 . .
    H H1C 0.267881 0.521015 0.054530 0.141 Uiso calc 1 . .
    C C2 0.3957(4) 0.45897(18) 0.1606(4) 0.0672(10) Uani d 1 . .
    C C3 0.5095(4) 0.42909(19) 0.1243(4) 0.0706(11) Uani d 1 . .
    H H3 0.496600 0.421072 0.040242 0.085 Uiso calc 1 . .
    C C4 0.6431(4) 0.40970(17) 0.2033(4) 0.0666(10) Uani d 1 . .
    C C5 0.8841(5) 0.3624(2) 0.1982(5) 0.0897(14) Uani d 1 . .
    C C6 0.9817(5) 0.4121(3) 0.2556(6) 0.1108(18) Uani d 1 . .
    H H6A 0.963480 0.445332 0.201407 0.166 Uiso calc 1 . .
    H H6B 1.084927 0.400825 0.268616 0.166 Uiso calc 1 . .
    H H6C 0.959237 0.422025 0.333682 0.166 Uiso calc 1 . .
    C C7 0.8762(7) 0.3149(3) 0.2906(7) 0.131(2) Uani d 1 . .
    H H7A 0.845972 0.331407 0.360811 0.197 Uiso calc 1 . .
    H H7B 0.972864 0.297042 0.317296 0.197 Uiso calc 1 . .
    H H7C 0.804662 0.285930 0.252621 0.197 Uiso calc 1 . .
    C C8 0.9363(7) 0.3385(4) 0.0867(6) 0.155(3) Uani d 1 . .
    H H8A 0.862961 0.311646 0.042344 0.233 Uiso calc 1 . .
    H H8B 1.030025 0.318583 0.114494 0.233 Uiso calc 1 . .
    H H8C 0.948707 0.370145 0.033114 0.233 Uiso calc 1 . .
    C C9 0.1984(7) 0.4577(2) 0.6368(6) 0.123(2) Uani d 1 . .
    H H9A 0.256051 0.467295 0.717969 0.184 Uiso calc 1 . .
    H H9B 0.120541 0.430766 0.643732 0.184 Uiso calc 1 . .
    H H9C 0.154656 0.492652 0.596048 0.184 Uiso calc 1 . .
    C C10 0.2986(5) 0.43028(19) 0.5624(4) 0.0705(11) Uani d 1 . .
    C C11 0.2793(5) 0.37331(19) 0.5304(4) 0.0739(11) Uani d 1 . .
    H H11 0.203184 0.353451 0.556179 0.089 Uiso calc 1 . .
    C C12 0.3643(5) 0.34110(17) 0.4612(3) 0.0652(10) Uani d 1 . .
    C C13 0.3831(5) 0.24431(19) 0.3696(4) 0.0776(12) Uani d 1 . .
    C C14 0.2860(7) 0.1908(2) 0.3683(5) 0.1141(19) Uani d 1 . .
    H H14A 0.285700 0.179792 0.451860 0.171 Uiso calc 1 . .
    H H14B 0.325115 0.159240 0.327984 0.171 Uiso calc 1 . .
    H H14C 0.185651 0.199405 0.324153 0.171 Uiso calc 1 . .
    C C15 0.3773(8) 0.2664(3) 0.2393(4) 0.122(2) Uani d 1 . .
    H H15A 0.275191 0.274108 0.198153 0.183 Uiso calc 1 . .
    H H15B 0.418317 0.237424 0.193851 0.183 Uiso calc 1 . .
    H H15C 0.434563 0.301784 0.243508 0.183 Uiso calc 1 . .
    C C16 0.5409(6) 0.2315(2) 0.4396(5) 0.1051(17) Uani d 1 . .
    H H16A 0.601067 0.265992 0.441878 0.158 Uiso calc 1 . .
    H H16B 0.581885 0.200646 0.398803 0.158 Uiso calc 1 . .
    H H16C 0.540080 0.219781 0.522665 0.158 Uiso calc 1 . .
    C C17A 0.7360(17) 0.3935(4) 0.6946(9) 0.120(2) Uani d 0.502(9) A 1
    H H17A 0.640986 0.375180 0.695965 0.144 Uiso calc 0.502(9) A 1
    H H17B 0.777579 0.410583 0.775206 0.144 Uiso calc 0.502(9) A 1
    C C17B 0.7398(17) 0.3790(2) 0.6508(10) 0.119(2) Uani d 0.498(9) A 2
    H H17C 0.758504 0.352034 0.588523 0.142 Uiso calc 0.498(9) A 2
    H H17D 0.647661 0.367100 0.672769 0.142 Uiso calc 0.498(9) A 2
    C C18A 0.8418(16) 0.3510(6) 0.6591(14) 0.151(3) Uani d 0.502(9) A 1
    H H18A 0.939453 0.368299 0.671692 0.226 Uiso calc 0.502(9) A 1
    H H18B 0.807363 0.340685 0.573319 0.226 Uiso calc 0.502(9) A 1
    H H18C 0.846888 0.316516 0.709264 0.226 Uiso calc 0.502(9) A 1
    C C18B 0.8644(15) 0.3742(6) 0.7627(12) 0.142(3) Uani d 0.498(9) A 2
    H H18D 0.941201 0.349365 0.744778 0.212 Uiso calc 0.498(9) A 2
    H H18E 0.827299 0.357902 0.829736 0.212 Uiso calc 0.498(9) A 2
    H H18F 0.905194 0.412323 0.785632 0.212 Uiso calc 0.498(9) A 2
    H H7 0.692(4) 0.4672(10) 0.633(3) 0.079(14) 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
    Zn1 O1 . 2.031(3) y
    Zn1 O2 . 2.039(3) y
    Zn1 O4 3_666 2.141(3) y
    Zn1 O4 . 2.076(2) y
    Zn1 O5 . 2.072(3) y
    Zn1 O7 . 2.201(3) y
    O1 C2 . 1.273(5) ?
    O2 C4 . 1.235(5) ?
    O3 C4 . 1.345(5) ?
    O3 C5 . 1.467(5) ?
    O4 C10 . 1.295(4) ?
    O5 C12 . 1.248(5) ?
    O6 C12 . 1.336(5) ?
    O6 C13 . 1.461(5) ?
    O7 C17A . 1.452(2) ?
    O7 C17B . 1.450(2) ?
    O7 H7 . 0.860(2) ?
    C1 H1A . 0.9600 ?
    C1 H1B . 0.9600 ?
    C1 H1C . 0.9600 ?
    C1 C2 . 1.505(6) ?
    C2 C3 . 1.381(5) ?
    C3 H3 . 0.9300 ?
    C3 C4 . 1.407(6) ?
    C5 C6 . 1.498(7) ?
    C5 C7 . 1.506(7) ?
    C5 C8 . 1.522(7) ?
    C6 H6A . 0.9600 ?
    C6 H6B . 0.9600 ?
    C6 H6C . 0.9600 ?
    C7 H7A . 0.9600 ?
    C7 H7B . 0.9600 ?
    C7 H7C . 0.9600 ?
    C8 H8A . 0.9600 ?
    C8 H8B . 0.9600 ?
    C8 H8C . 0.9600 ?
    C9 H9A . 0.9600 ?
    C9 H9B . 0.9600 ?
    C9 H9C . 0.9600 ?
    C9 C10 . 1.503(6) ?
    C10 C11 . 1.352(6) ?
    C11 H11 . 0.9300 ?
    C11 C12 . 1.417(6) ?
    C13 C14 . 1.512(6) ?
    C13 C15 . 1.519(6) ?
    C13 C16 . 1.508(6) ?
    C14 H14A . 0.9600 ?
    C14 H14B . 0.9600 ?
    C14 H14C . 0.9600 ?
    C15 H15A . 0.9600 ?
    C15 H15B . 0.9600 ?
    C15 H15C . 0.9600 ?
    C16 H16A . 0.9600 ?
    C16 H16B . 0.9600 ?
    C16 H16C . 0.9600 ?
    C17A H17A . 0.9700 ?
    C17A H17B . 0.9700 ?
    C17A C18A . 1.489(2) ?
    C17B H17C . 0.9700 ?
    C17B H17D . 0.9700 ?
    C17B C18B . 1.487(2) ?
    C18A H18A . 0.9600 ?
    C18A H18B . 0.9600 ?
    C18A H18C . 0.9600 ?
    C18B H18D . 0.9600 ?
    C18B H18E . 0.9600 ?
    C18B H18F . 0.9600 ?
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 O2 . . 90.99(11) y
    O1 Zn1 O4 . 3_666 88.27(12) ?
    O1 Zn1 O4 . . 90.61(11) y
    O1 Zn1 O5 . . 97.46(12) y
    O1 Zn1 O7 . . 167.36(12) ?
    O2 Zn1 O4 . . 173.35(10) ?
    O2 Zn1 O4 . 3_666 106.60(10) ?
    O2 Zn1 O5 . . 85.30(11) y
    O2 Zn1 O7 . . 93.30(12) y
    O4 Zn1 O4 . 3_666 79.90(10) ?
    O4 Zn1 O7 3_666 . 79.11(11) ?
    O4 Zn1 O7 . . 86.49(12) y
    O5 Zn1 O4 . . 88.08(11) y
    O5 Zn1 O4 . 3_666 166.76(10) ?
    O5 Zn1 O7 . . 94.74(12) y
    C2 O1 Zn1 . . 125.0(3) ?
    C4 O2 Zn1 . . 123.2(3) ?
    C4 O3 C5 . . 123.2(3) ?
    Zn1 O4 Zn1 . 3_666 100.10(10) ?
    C10 O4 Zn1 . 3_666 134.0(3) ?
    C10 O4 Zn1 . . 125.8(3) ?
    C12 O5 Zn1 . . 126.0(3) ?
    C12 O6 C13 . . 123.0(3) ?
    Zn1 O7 H7 . . 96(3) ?
    C17A O7 Zn1 . . 129.7(7) ?
    C17A O7 H7 . . 102(3) ?
    C17B O7 Zn1 . . 115.8(5) ?
    C17B O7 H7 . . 125(3) ?
    H1A C1 H1B . . 109.5 ?
    H1A C1 H1C . . 109.5 ?
    H1B C1 H1C . . 109.5 ?
    C2 C1 H1A . . 109.5 ?
    C2 C1 H1B . . 109.5 ?
    C2 C1 H1C . . 109.5 ?
    O1 C2 C1 . . 115.7(4) ?
    O1 C2 C3 . . 125.4(4) ?
    C3 C2 C1 . . 118.8(4) ?
    C2 C3 H3 . . 117.1 ?
    C2 C3 C4 . . 125.7(4) ?
    C4 C3 H3 . . 117.1 ?
    O2 C4 O3 . . 120.1(4) ?
    O2 C4 C3 . . 128.1(4) ?
    O3 C4 C3 . . 111.7(4) ?
    O3 C5 C6 . . 111.0(4) ?
    O3 C5 C7 . . 110.1(4) ?
    O3 C5 C8 . . 101.4(4) ?
    C6 C5 C7 . . 112.0(5) ?
    C6 C5 C8 . . 110.5(5) ?
    C7 C5 C8 . . 111.4(5) ?
    C5 C6 H6A . . 109.5 ?
    C5 C6 H6B . . 109.5 ?
    C5 C6 H6C . . 109.5 ?
    H6A C6 H6B . . 109.5 ?
    H6A C6 H6C . . 109.5 ?
    H6B C6 H6C . . 109.5 ?
    C5 C7 H7A . . 109.5 ?
    C5 C7 H7B . . 109.5 ?
    C5 C7 H7C . . 109.5 ?
    H7A C7 H7B . . 109.5 ?
    H7A C7 H7C . . 109.5 ?
    H7B C7 H7C . . 109.5 ?
    C5 C8 H8A . . 109.5 ?
    C5 C8 H8B . . 109.5 ?
    C5 C8 H8C . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    H9A C9 H9B . . 109.5 ?
    H9A C9 H9C . . 109.5 ?
    H9B C9 H9C . . 109.5 ?
    C10 C9 H9A . . 109.5 ?
    C10 C9 H9B . . 109.5 ?
    C10 C9 H9C . . 109.5 ?
    O4 C10 C9 . . 114.6(4) ?
    O4 C10 C11 . . 126.3(4) ?
    C11 C10 C9 . . 119.1(4) ?
    C10 C11 H11 . . 117.0 ?
    C10 C11 C12 . . 126.0(4) ?
    C12 C11 H11 . . 117.0 ?
    O5 C12 O6 . . 121.2(4) ?
    O5 C12 C11 . . 126.4(4) ?
    O6 C12 C11 . . 112.3(4) ?
    O6 C13 C14 . . 102.5(4) ?
    O6 C13 C15 . . 110.2(4) ?
    O6 C13 C16 . . 110.1(4) ?
    C14 C13 C15 . . 111.5(4) ?
    C16 C13 C14 . . 110.0(4) ?
    C16 C13 C15 . . 112.2(4) ?
    C13 C14 H14A . . 109.5 ?
    C13 C14 H14B . . 109.5 ?
    C13 C14 H14C . . 109.5 ?
    H14A C14 H14B . . 109.5 ?
    H14A C14 H14C . . 109.5 ?
    H14B C14 H14C . . 109.5 ?
    C13 C15 H15A . . 109.5 ?
    C13 C15 H15B . . 109.5 ?
    C13 C15 H15C . . 109.5 ?
    H15A C15 H15B . . 109.5 ?
    H15A C15 H15C . . 109.5 ?
    H15B C15 H15C . . 109.5 ?
    C13 C16 H16A . . 109.5 ?
    C13 C16 H16B . . 109.5 ?
    C13 C16 H16C . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
    O7 C17A H17A . . 111.2 ?
    O7 C17A H17B . . 111.2 ?
    O7 C17A C18A . . 102.6(8) ?
    H17A C17A H17B . . 109.2 ?
    C18A C17A H17A . . 111.2 ?
    C18A C17A H17B . . 111.2 ?
    O7 C17B H17C . . 108.6 ?
    O7 C17B H17D . . 108.6 ?
    O7 C17B C18B . . 114.5(8) ?
    H17C C17B H17D . . 107.6 ?
    C18B C17B H17C . . 108.6 ?
    C18B C17B H17D . . 108.6 ?
    C17A C18A H18A . . 109.5 ?
    C17A C18A H18B . . 109.5 ?
    C17A C18A H18C . . 109.5 ?
    H18A C18A H18B . . 109.5 ?
    H18A C18A H18C . . 109.5 ?
    H18B C18A H18C . . 109.5 ?
    C17B C18B H18D . . 109.5 ?
    C17B C18B H18E . . 109.5 ?
    C17B C18B H18F . . 109.5 ?
    H18D C18B H18E . . 109.5 ?
    H18D C18B H18F . . 109.5 ?
    H18E C18B H18F . . 109.5 ?
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
    Zn1 O1 C2 C1 . . . . 175.2(3) ?
    Zn1 O1 C2 C3 . . . . -5.2(6) ?
    Zn1 O2 C4 O3 . . . . -171.2(3) ?
    Zn1 O2 C4 C3 . . . . 10.0(6) ?
    Zn1 O4 C10 C9 3_666 . . . -0.3(6) ?
    Zn1 O4 C10 C9 . . . . -174.9(4) ?
    Zn1 O4 C10 C11 3_666 . . . -179.5(3) ?
    Zn1 O4 C10 C11 . . . . 5.9(6) ?
    Zn1 O5 C12 O6 . . . . 168.2(3) ?
    Zn1 O5 C12 C11 . . . . -12.6(6) ?
    Zn1 O7 C17A C18A . . . . 95.5(12) ?
    Zn1 O7 C17B C18B . . . . 176.2(11) ?
    O1 C2 C3 C4 . . . . -2.8(7) ?
    O4 C10 C11 C12 . . . . -0.6(8) ?
    C1 C2 C3 C4 . . . . 176.8(4) ?
    C2 C3 C4 O2 . . . . 0.0(7) ?
    C2 C3 C4 O3 . . . . -178.9(4) ?
    C4 O3 C5 C6 . . . . -60.4(6) ?
    C4 O3 C5 C7 . . . . 64.2(6) ?
    C4 O3 C5 C8 . . . . -177.8(5) ?
    C5 O3 C4 O2 . . . . -3.7(6) ?
    C5 O3 C4 C3 . . . . 175.2(4) ?
    C9 C10 C11 C12 . . . . -179.8(5) ?
    C10 C11 C12 O5 . . . . 4.4(7) ?
    C10 C11 C12 O6 . . . . -176.3(4) ?
    C12 O6 C13 C14 . . . . -180.0(4) ?
    C12 O6 C13 C15 . . . . -61.2(5) ?
    C12 O6 C13 C16 . . . . 63.0(5) ?
    C13 O6 C12 O5 . . . . 0.2(6) ?
    C13 O6 C12 C11 . . . . -179.1(4) ?
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 H7 O1 3_666 0.860(2) 2.010(8) 2.861(4) 171(4) yes
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_T_min     0.605
_shelx_estimated_absorpt_T_max     0.808
