##############################################################################
###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, 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     2007-04-27
_journal_date_accepted     2007-06-05
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2007
_journal_volume     63
_journal_issue      7
_journal_page_first     m341
_journal_page_last     m342
_journal_paper_category     FM
_journal_coeditor_code     BG3037
_publ_contact_author_name     'Ng, Seik Weng'
_publ_contact_author_address
;
      Department of Chemistry
      University of Malaya
      50603 Kuala Lumpur
      Malaysia
;
_publ_contact_author_email     seikweng@um.edu.my
_publ_contact_author_fax     603-7967-6778
_publ_contact_author_phone     603-7967-6778
_publ_section_title
;
The honeycomb network structure of
poly[[[μ₂-1,3-bis(1H-benzimidazol-2-yl)benzene-κ²N³:\
N^3'^](μ₂-terephthalato-κ²O:O')zinc(II)] ethanol
solvate]
;
loop_
    _publ_author_name
    _publ_author_address
    'Meng, Fa-Yan'
;
School of Chemistry and Materials Engineering
Huangshi Institute of Technology
Huangshi 435003
People's Republic of China
;
    'Liu, Xu-Qing'
;
School of Chemistry and Materials Engineering
Huangshi Institute of Technology
Huangshi 435003
People's Republic of China
;
    'Ng, Seik Weng'
;
Department of Chemistry
University of Malaya
50603 Kuala Lumpur
Malaysia
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
poly[[[μ₂-1,3-bis(1H-benzimidazol-2-yl)benzene-
κ²N³:N^3'^](μ₂-terephthalato-
κ²O:O')zinc(II)] ethanol solvate]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C28 H18 N4 O4 Zn, C2 H6 O'
_chemical_formula_sum     'C30 H24 N4 O5 Zn'
_chemical_formula_iupac     '[Zn (C8 H4 O4) (C20 H14 N4)], C2 H6 O'
_chemical_formula_weight     585.90
_chemical_melting_point     ?
_symmetry_cell_setting     Triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.0660(8)
_cell_length_b     9.3077(9)
_cell_length_c     15.921(2)
_cell_angle_alpha     86.7310(10)
_cell_angle_beta     83.1400(10)
_cell_angle_gamma     87.9310(10)
_cell_volume     1331.1(2)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     3996
_cell_measurement_theta_min     2.5
_cell_measurement_theta_max     27.3
_cell_measurement_temperature     291(2)
_exptl_crystal_description     Block
_exptl_crystal_colour     Colorless
_exptl_crystal_size_max     0.28
_exptl_crystal_size_mid     0.21
_exptl_crystal_size_min     0.18
_exptl_crystal_density_diffrn     1.462
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     604
_exptl_absorpt_coefficient_mu     0.971
_exptl_absorpt_correction_type     Multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.712
_exptl_absorpt_correction_T_max     0.845
_diffrn_ambient_temperature     291(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 APEX area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     10765
_diffrn_reflns_av_R_equivalents     0.020
_diffrn_reflns_av_sigmaI/netI     0.036
_diffrn_reflns_theta_min     2.3
_diffrn_reflns_theta_max     27.5
_diffrn_reflns_theta_full     27.5
_diffrn_measured_fraction_theta_max     0.96
_diffrn_measured_fraction_theta_full     0.96
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -20
_diffrn_reflns_limit_l_max     20
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_reflns_number_total     5834
_reflns_number_gt     4918
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.045
_refine_ls_R_factor_gt     0.035
_refine_ls_wR_factor_gt     0.092
_refine_ls_wR_factor_ref     0.098
_refine_ls_goodness_of_fit_ref     1.03
_refine_ls_restrained_S_all     1.04
_refine_ls_number_reflns     5834
_refine_ls_number_parameters     389
_refine_ls_number_restraints     31
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0538P)²+0.3524P] 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     0.38
_refine_diff_density_min     -0.41
_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, 2004)'
_computing_cell_refinement     'SAINT (Bruker, 2004)'
_computing_data_reduction     SAINT
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'X-SEED (Barbour, 2001)'
_computing_publication_material     'publCIF (Westrip, 2007)'
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 0.12048(3) 0.34731(2) 0.704774(14) 0.02477(9) Uani d . 1 . .
    O O1 0.27282(19) 0.22493(18) 0.64807(10) 0.0378(4) Uani d . 1 . .
    O O2 0.3880(2) 0.37354(18) 0.54777(11) 0.0448(4) Uani d . 1 . .
    O O3 0.07302(19) 0.25817(16) 0.81934(9) 0.0322(4) Uani d . 1 . .
    O O4 0.0327(2) 0.04796(17) 0.76770(10) 0.0400(4) Uani d . 1 . .
    O O5 0.4019(5) 0.0591(6) 0.7905(3) 0.1492(16) Uani d D 1 . .
    H H5O 0.360(7) 0.105(7) 0.751(3) 0.179 Uiso d D 1 . .
    N N1 0.1885(2) 0.54158(19) 0.73633(11) 0.0259(4) Uani d . 1 . .
    N N2 0.1515(2) 0.7688(2) 0.77254(12) 0.0306(4) Uani d D 1 . .
    H H2N 0.120(3) 0.8550(13) 0.7709(16) 0.037 Uiso d D 1 . .
    N N3 0.0816(2) 0.60449(19) 0.33495(10) 0.0253(4) Uani d . 1 . .
    N N4 0.2672(2) 0.5222(2) 0.40534(12) 0.0363(5) Uani d D 1 . .
    H H4N 0.322(3) 0.503(3) 0.4450(13) 0.044 Uiso d D 1 . .
    C C1 0.2394(2) 0.5550(2) 0.81518(13) 0.0283(5) Uani d . 1 . .
    C C2 0.3053(3) 0.4532(3) 0.86742(16) 0.0376(6) Uani d . 1 . .
    H H2 0.3234 0.3587 0.8521 0.045 Uiso calc R 1 . .
    C C3 0.3426(3) 0.4982(3) 0.94286(17) 0.0464(7) Uani d . 1 . .
    H H3 0.3863 0.4323 0.9792 0.056 Uiso calc R 1 . .
    C C4 0.3166(3) 0.6408(3) 0.96628(16) 0.0477(7) Uani d . 1 . .
    H H4 0.3421 0.6666 1.0181 0.057 Uiso calc R 1 . .
    C C5 0.2543(3) 0.7436(3) 0.91446(16) 0.0421(6) Uani d . 1 . .
    H H5 0.2388 0.8386 0.9294 0.050 Uiso calc R 1 . .
    C C6 0.2158(3) 0.6976(2) 0.83843(14) 0.0305(5) Uani d . 1 . .
    C C7 0.1375(2) 0.6726(2) 0.71378(13) 0.0256(4) Uani d . 1 . .
    C C8 0.0765(2) 0.7121(2) 0.63368(13) 0.0254(4) Uani d . 1 . .
    C C9 -0.0331(3) 0.8208(2) 0.62899(14) 0.0319(5) Uani d . 1 . .
    H H9 -0.0721 0.8669 0.6774 0.038 Uiso calc R 1 . .
    C C10 -0.0832(3) 0.8593(2) 0.55174(15) 0.0359(5) Uani d . 1 . .
    H H10 -0.1567 0.9312 0.5486 0.043 Uiso calc R 1 . .
    C C11 -0.0251(3) 0.7919(2) 0.47898(14) 0.0331(5) Uani d . 1 . .
    H H11 -0.0564 0.8213 0.4270 0.040 Uiso calc R 1 . .
    C C12 0.0805(2) 0.6799(2) 0.48389(13) 0.0264(4) Uani d . 1 . .
    C C13 0.1310(2) 0.6407(2) 0.56145(13) 0.0258(4) Uani d . 1 . .
    H H13 0.2017 0.5663 0.5650 0.031 Uiso calc R 1 . .
    C C14 0.1406(2) 0.6044(2) 0.40773(13) 0.0268(4) Uani d . 1 . .
    C C15 0.2920(3) 0.4619(3) 0.32729(15) 0.0341(5) Uani d . 1 . .
    C C16 0.4012(3) 0.3648(3) 0.29415(18) 0.0500(7) Uani d . 1 . .
    H H16 0.4786 0.3316 0.3242 0.060 Uiso calc R 1 . .
    C C17 0.3879(3) 0.3205(3) 0.21419(18) 0.0543(8) Uani d . 1 . .
    H H17 0.4563 0.2533 0.1902 0.065 Uiso calc R 1 . .
    C C18 0.2742(3) 0.3743(3) 0.16875(16) 0.0459(7) Uani d . 1 . .
    H H18 0.2697 0.3425 0.1148 0.055 Uiso calc R 1 . .
    C C19 0.1676(3) 0.4731(3) 0.20060(14) 0.0362(5) Uani d . 1 . .
    H H19 0.0934 0.5095 0.1691 0.043 Uiso calc R 1 . .
    C C20 0.1769(2) 0.5158(2) 0.28273(13) 0.0288(5) Uani d . 1 . .
    C C21 0.3622(3) 0.2532(2) 0.58054(14) 0.0304(5) Uani d . 1 . .
    C C22 0.4353(2) 0.1211(2) 0.53972(14) 0.0286(5) Uani d . 1 . .
    C C23 0.3858(3) -0.0166(3) 0.56556(15) 0.0345(5) Uani d . 1 . .
    H H23 0.3092 -0.0284 0.6096 0.041 Uiso calc R 1 . .
    C C24 0.4508(3) -0.1365(2) 0.52561(15) 0.0330(5) Uani d . 1 . .
    H H24 0.4170 -0.2278 0.5431 0.049 Uiso calc R 1 . .
    C C25 0.0422(2) 0.1256(2) 0.82785(13) 0.0266(4) Uani d . 1 . .
    C C26 0.0178(3) 0.0624(2) 0.91749(13) 0.0268(4) Uani d . 1 . .
    C C27 0.0834(3) 0.1223(2) 0.98164(14) 0.0323(5) Uani d . 1 . .
    H H27 0.1389 0.2046 0.9697 0.039 Uiso calc R 1 . .
    C C28 0.0663(3) 0.0596(2) 1.06329(14) 0.0324(5) Uani d . 1 . .
    H H28 0.1116 0.0997 1.1055 0.049 Uiso calc R 1 . .
    C C29 0.5448(12) 0.0873(18) 0.8193(9) 0.215(7) Uani d PDU 0.721(14) A 1
    H H29A 0.5788 0.0062 0.8536 0.258 Uiso calc PR 0.721(14) A 1
    H H29B 0.5381 0.1727 0.8519 0.258 Uiso calc PR 0.721(14) A 1
    C C30 0.6464(16) 0.1092(15) 0.7384(8) 0.214(6) Uani d PDU 0.721(14) A 1
    H H30A 0.7456 0.1230 0.7512 0.322 Uiso calc PR 0.721(14) A 1
    H H30B 0.6131 0.1925 0.7067 0.322 Uiso calc PR 0.721(14) A 1
    H H30C 0.6457 0.0260 0.7054 0.322 Uiso calc PR 0.721(14) A 1
    C C29' 0.5483(14) 0.118(3) 0.7679(13) 0.113(8) Uani d PDU 0.279(14) A 2
    H H29C 0.5364 0.2070 0.7345 0.135 Uiso calc PR 0.279(14) A 2
    H H29D 0.6059 0.0514 0.7312 0.135 Uiso calc PR 0.279(14) A 2
    C C30' 0.638(3) 0.148(3) 0.8359(15) 0.147(11) Uani d PDU 0.279(14) A 2
    H H30D 0.7280 0.1926 0.8117 0.221 Uiso calc PR 0.279(14) A 2
    H H30E 0.6617 0.0590 0.8659 0.221 Uiso calc PR 0.279(14) A 2
    H H30F 0.5823 0.2108 0.8744 0.221 Uiso calc PR 0.279(14) A 2
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 . 1.930(2) yes
    Zn1 O3 . 1.966(2) yes
    Zn1 N1 . 2.040(2) yes
    Zn1 N3 2_566 2.036(2) yes
    O1 C21 . 1.287(3) ?
    O2 C21 . 1.227(3) ?
    O3 C25 . 1.271(3) ?
    O4 C25 . 1.245(3) ?
    O5 C29' . 1.452(10) ?
    O5 C29 . 1.462(9) ?
    O5 H5O . 0.86(4) ?
    N1 C7 . 1.333(3) ?
    N1 C1 . 1.402(3) ?
    N2 C7 . 1.351(3) ?
    N2 C6 . 1.385(3) ?
    N2 H2N . 0.842(10) ?
    N3 C14 . 1.333(3) ?
    N3 C20 . 1.405(3) ?
    N3 Zn1 2_566 2.0357(18) ?
    N4 C14 . 1.354(3) ?
    N4 C15 . 1.383(3) ?
    N4 H4N . 0.856(10) ?
    C1 C2 . 1.391(3) ?
    C1 C6 . 1.400(3) ?
    C2 C3 . 1.377(3) ?
    C2 H2 . 0.9300 ?
    C3 C4 . 1.403(4) ?
    C3 H3 . 0.9300 ?
    C4 C5 . 1.377(4) ?
    C4 H4 . 0.9300 ?
    C5 C6 . 1.393(3) ?
    C5 H5 . 0.9300 ?
    C7 C8 . 1.472(3) ?
    C8 C13 . 1.391(3) ?
    C8 C9 . 1.398(3) ?
    C9 C10 . 1.385(3) ?
    C9 H9 . 0.9300 ?
    C10 C11 . 1.388(3) ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.395(3) ?
    C11 H11 . 0.9300 ?
    C12 C13 . 1.392(3) ?
    C12 C14 . 1.474(3) ?
    C13 H13 . 0.9300 ?
    C15 C16 . 1.393(3) ?
    C15 C20 . 1.394(3) ?
    C16 C17 . 1.380(4) ?
    C16 H16 . 0.9300 ?
    C17 C18 . 1.392(4) ?
    C17 H17 . 0.9300 ?
    C18 C19 . 1.381(3) ?
    C18 H18 . 0.9300 ?
    C19 C20 . 1.401(3) ?
    C19 H19 . 0.9300 ?
    C21 C22 . 1.517(3) ?
    C22 C24 2_656 1.381(3) ?
    C22 C23 . 1.397(3) ?
    C23 C24 . 1.393(3) ?
    C23 H23 . 0.9300 ?
    C24 C22 2_656 1.381(3) ?
    C24 H24 . 0.9300 ?
    C25 C26 . 1.507(3) ?
    C26 C28 2_557 1.390(3) ?
    C26 C27 . 1.394(3) ?
    C27 C28 . 1.388(3) ?
    C27 H27 . 0.9300 ?
    C28 C26 2_557 1.390(3) ?
    C28 H28 . 0.9300 ?
    C29 C30 . 1.500(9) ?
    C29 H29A . 0.9700 ?
    C29 H29B . 0.9700 ?
    C30 H30A . 0.9600 ?
    C30 H30B . 0.9600 ?
    C30 H30C . 0.9600 ?
    C29' C30' . 1.473(10) ?
    C29' H29C . 0.9700 ?
    C29' H29D . 0.9700 ?
    C30' H30D . 0.9600 ?
    C30' H30E . 0.9600 ?
    C30' H30F . 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 O3 . . 106.00(10)
                           yes
    O1 Zn1 N3 . 2_566 125.10(10)
                               yes
    O1 Zn1 N1 . . 115.70(10)
                           yes
    O3 Zn1 N1 . . 98.90(10)
                          yes
    O3 Zn1 N3 . 2_566 104.20(10)
                               yes
    N1 Zn1 N3 . 2_566 103.30(7) yes
    C21 O1 Zn1 . . 128.94(15) ?
    C25 O3 Zn1 . . 119.12(13) ?
    C29' O5 H5O . . 97(5) ?
    C29 O5 H5O . . 128(5) ?
    C7 N1 C1 . . 105.44(17) ?
    C7 N1 Zn1 . . 128.14(14) ?
    C1 N1 Zn1 . . 119.96(14) ?
    C7 N2 C6 . . 107.96(18) ?
    C7 N2 H2N . . 125.6(18) ?
    C6 N2 H2N . . 126.3(18) ?
    C14 N3 C20 . . 105.67(18) ?
    C14 N3 Zn1 . 2_566 136.49(15) ?
    C20 N3 Zn1 . 2_566 115.54(14) ?
    C14 N4 C15 . . 108.35(19) ?
    C14 N4 H4N . . 128.2(19) ?
    C15 N4 H4N . . 123.3(19) ?
    C2 C1 C6 . . 120.7(2) ?
    C2 C1 N1 . . 130.3(2) ?
    C6 C1 N1 . . 109.00(18) ?
    C3 C2 C1 . . 117.2(2) ?
    C3 C2 H2 . . 121.4 ?
    C1 C2 H2 . . 121.4 ?
    C2 C3 C4 . . 121.8(2) ?
    C2 C3 H3 . . 119.1 ?
    C4 C3 H3 . . 119.1 ?
    C5 C4 C3 . . 121.7(2) ?
    C5 C4 H4 . . 119.1 ?
    C3 C4 H4 . . 119.1 ?
    C4 C5 C6 . . 116.4(2) ?
    C4 C5 H5 . . 121.8 ?
    C6 C5 H5 . . 121.8 ?
    N2 C6 C5 . . 132.3(2) ?
    N2 C6 C1 . . 105.50(18) ?
    C5 C6 C1 . . 122.2(2) ?
    N1 C7 N2 . . 112.09(18) ?
    N1 C7 C8 . . 125.11(18) ?
    N2 C7 C8 . . 122.77(19) ?
    C13 C8 C9 . . 119.81(19) ?
    C13 C8 C7 . . 119.04(19) ?
    C9 C8 C7 . . 121.15(19) ?
    C10 C9 C8 . . 119.5(2) ?
    C10 C9 H9 . . 120.2 ?
    C8 C9 H9 . . 120.2 ?
    C9 C10 C11 . . 120.7(2) ?
    C9 C10 H10 . . 119.6 ?
    C11 C10 H10 . . 119.6 ?
    C10 C11 C12 . . 119.9(2) ?
    C10 C11 H11 . . 120.0 ?
    C12 C11 H11 . . 120.0 ?
    C13 C12 C11 . . 119.5(2) ?
    C13 C12 C14 . . 119.84(19) ?
    C11 C12 C14 . . 120.69(19) ?
    C8 C13 C12 . . 120.5(2) ?
    C8 C13 H13 . . 119.8 ?
    C12 C13 H13 . . 119.8 ?
    N3 C14 N4 . . 111.47(19) ?
    N3 C14 C12 . . 126.8(2) ?
    N4 C14 C12 . . 121.75(19) ?
    N4 C15 C16 . . 131.6(2) ?
    N4 C15 C20 . . 105.44(19) ?
    C16 C15 C20 . . 123.0(2) ?
    C17 C16 C15 . . 116.2(3) ?
    C17 C16 H16 . . 121.9 ?
    C15 C16 H16 . . 121.9 ?
    C16 C17 C18 . . 121.4(2) ?
    C16 C17 H17 . . 119.3 ?
    C18 C17 H17 . . 119.3 ?
    C19 C18 C17 . . 122.6(2) ?
    C19 C18 H18 . . 118.7 ?
    C17 C18 H18 . . 118.7 ?
    C18 C19 C20 . . 116.7(2) ?
    C18 C19 H19 . . 121.6 ?
    C20 C19 H19 . . 121.6 ?
    C15 C20 C19 . . 120.1(2) ?
    C15 C20 N3 . . 109.03(19) ?
    C19 C20 N3 . . 130.8(2) ?
    O2 C21 O1 . . 125.8(2) ?
    O2 C21 C22 . . 120.0(2) ?
    O1 C21 C22 . . 114.2(2) ?
    C24 C22 C23 2_656 . 119.1(2) ?
    C24 C22 C21 2_656 . 120.0(2) ?
    C23 C22 C21 . . 120.8(2) ?
    C24 C23 C22 . . 120.2(2) ?
    C24 C23 H23 . . 119.9 ?
    C22 C23 H23 . . 119.9 ?
    C22 C24 C23 2_656 . 120.7(2) ?
    C22 C24 H24 2_656 . 119.7 ?
    C23 C24 H24 . . 119.7 ?
    O4 C25 O3 . . 124.2(2) ?
    O4 C25 C26 . . 119.76(19) ?
    O3 C25 C26 . . 116.04(18) ?
    C28 C26 C27 2_557 . 119.1(2) ?
    C28 C26 C25 2_557 . 120.35(19) ?
    C27 C26 C25 . . 120.5(2) ?
    C28 C27 C26 . . 120.3(2) ?
    C28 C27 H27 . . 119.9 ?
    C26 C27 H27 . . 119.9 ?
    C27 C28 C26 . 2_557 120.6(2) ?
    C27 C28 H28 . . 119.7 ?
    C26 C28 H28 2_557 . 119.7 ?
    O5 C29 C30 . . 103.5(10) ?
    O5 C29 H29A . . 111.1 ?
    C30 C29 H29A . . 111.1 ?
    O5 C29 H29B . . 111.1 ?
    C30 C29 H29B . . 111.1 ?
    H29A C29 H29B . . 109.0 ?
    C29 C30 H30A . . 109.5 ?
    C29 C30 H30B . . 109.5 ?
    H30A C30 H30B . . 109.5 ?
    C29 C30 H30C . . 109.5 ?
    H30A C30 H30C . . 109.5 ?
    H30B C30 H30C . . 109.5 ?
    O5 C29' C30' . . 118.9(17) ?
    O5 C29' H29C . . 107.6 ?
    C30' C29' H29C . . 107.6 ?
    O5 C29' H29D . . 107.6 ?
    C30' C29' H29D . . 107.6 ?
    H29C C29' H29D . . 107.0 ?
    C29' C30' H30D . . 109.5 ?
    C29' C30' H30E . . 109.5 ?
    H30D C30' H30E . . 109.5 ?
    C29' C30' H30F . . 109.5 ?
    H30D C30' H30F . . 109.5 ?
    H30E C30' H30F . . 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
    O3 Zn1 O1 C21 . . . . -162.78(19) ?
    N3 Zn1 O1 C21 2_566 . . . 76.3(2) ?
    N1 Zn1 O1 C21 . . . . -54.3(2) ?
    O1 Zn1 O3 C25 . . . . -51.46(18) ?
    N3 Zn1 O3 C25 2_566 . . . 82.19(17) ?
    N1 Zn1 O3 C25 . . . . -171.56(17) ?
    O1 Zn1 N1 C7 . . . . 122.62(18) ?
    O3 Zn1 N1 C7 . . . . -124.70(18) ?
    N3 Zn1 N1 C7 2_566 . . . -17.7(2) ?
    O1 Zn1 N1 C1 . . . . -89.91(17) ?
    O3 Zn1 N1 C1 . . . . 22.78(17) ?
    N3 Zn1 N1 C1 2_566 . . . 129.74(16) ?
    C7 N1 C1 C2 . . . . -179.0(2) ?
    Zn1 N1 C1 C2 . . . . 27.0(3) ?
    C7 N1 C1 C6 . . . . 0.4(2) ?
    Zn1 N1 C1 C6 . . . . -153.58(16) ?
    C6 C1 C2 C3 . . . . 1.3(4) ?
    N1 C1 C2 C3 . . . . -179.3(2) ?
    C1 C2 C3 C4 . . . . -0.4(4) ?
    C2 C3 C4 C5 . . . . -0.9(5) ?
    C3 C4 C5 C6 . . . . 1.3(4) ?
    C7 N2 C6 C5 . . . . -179.6(3) ?
    C7 N2 C6 C1 . . . . 0.3(3) ?
    C4 C5 C6 N2 . . . . 179.5(3) ?
    C4 C5 C6 C1 . . . . -0.4(4) ?
    C2 C1 C6 N2 . . . . 179.1(2) ?
    N1 C1 C6 N2 . . . . -0.4(3) ?
    C2 C1 C6 C5 . . . . -1.0(4) ?
    N1 C1 C6 C5 . . . . 179.5(2) ?
    C1 N1 C7 N2 . . . . -0.2(3) ?
    Zn1 N1 C7 N2 . . . . 150.87(16) ?
    C1 N1 C7 C8 . . . . 178.1(2) ?
    Zn1 N1 C7 C8 . . . . -30.8(3) ?
    C6 N2 C7 N1 . . . . 0.0(3) ?
    C6 N2 C7 C8 . . . . -178.4(2) ?
    N1 C7 C8 C13 . . . . -31.2(3) ?
    N2 C7 C8 C13 . . . . 146.9(2) ?
    N1 C7 C8 C9 . . . . 149.6(2) ?
    N2 C7 C8 C9 . . . . -32.2(3) ?
    C13 C8 C9 C10 . . . . -1.9(3) ?
    C7 C8 C9 C10 . . . . 177.2(2) ?
    C8 C9 C10 C11 . . . . -0.4(4) ?
    C9 C10 C11 C12 . . . . 2.7(4) ?
    C10 C11 C12 C13 . . . . -2.6(4) ?
    C10 C11 C12 C14 . . . . 178.4(2) ?
    C9 C8 C13 C12 . . . . 2.0(3) ?
    C7 C8 C13 C12 . . . . -177.1(2) ?
    C11 C12 C13 C8 . . . . 0.2(3) ?
    C14 C12 C13 C8 . . . . 179.3(2) ?
    C20 N3 C14 N4 . . . . 0.2(2) ?
    Zn1 N3 C14 N4 2_566 . . . 161.33(17) ?
    C20 N3 C14 C12 . . . . -178.9(2) ?
    Zn1 N3 C14 C12 2_566 . . . -17.8(3) ?
    C15 N4 C14 N3 . . . . -1.3(3) ?
    C15 N4 C14 C12 . . . . 177.9(2) ?
    C13 C12 C14 N3 . . . . 163.1(2) ?
    C11 C12 C14 N3 . . . . -17.8(3) ?
    C13 C12 C14 N4 . . . . -15.9(3) ?
    C11 C12 C14 N4 . . . . 163.1(2) ?
    C14 N4 C15 C16 . . . . -176.5(3) ?
    C14 N4 C15 C20 . . . . 1.8(3) ?
    N4 C15 C16 C17 . . . . 176.5(3) ?
    C20 C15 C16 C17 . . . . -1.6(4) ?
    C15 C16 C17 C18 . . . . 2.1(5) ?
    C16 C17 C18 C19 . . . . -0.7(5) ?
    C17 C18 C19 C20 . . . . -1.3(4) ?
    N4 C15 C20 C19 . . . . -178.9(2) ?
    C16 C15 C20 C19 . . . . -0.3(4) ?
    N4 C15 C20 N3 . . . . -1.7(3) ?
    C16 C15 C20 N3 . . . . 176.9(2) ?
    C18 C19 C20 C15 . . . . 1.7(4) ?
    C18 C19 C20 N3 . . . . -174.7(2) ?
    C14 N3 C20 C15 . . . . 0.9(2) ?
    Zn1 N3 C20 C15 2_566 . . . -164.75(16) ?
    C14 N3 C20 C19 . . . . 177.7(2) ?
    Zn1 N3 C20 C19 2_566 . . . 12.0(3) ?
    Zn1 O1 C21 O2 . . . . 15.4(4) ?
    Zn1 O1 C21 C22 . . . . -162.91(15) ?
    O2 C21 C22 C24 . . . 2_656 11.0(3) ?
    O1 C21 C22 C24 . . . 2_656 -170.6(2) ?
    O2 C21 C22 C23 . . . . -167.0(2) ?
    O1 C21 C22 C23 . . . . 11.4(3) ?
    C24 C22 C23 C24 2_656 . . . -0.1(4) ?
    C21 C22 C23 C24 . . . . 177.9(2) ?
    C22 C23 C24 C22 . . . 2_656 0.1(4) ?
    Zn1 O3 C25 O4 . . . . -3.6(3) ?
    Zn1 O3 C25 C26 . . . . 175.78(14) ?
    O4 C25 C26 C28 . . . 2_557 -24.0(3) ?
    O3 C25 C26 C28 . . . 2_557 156.5(2) ?
    O4 C25 C26 C27 . . . . 153.7(2) ?
    O3 C25 C26 C27 . . . . -25.7(3) ?
    C28 C26 C27 C28 2_557 . . . 0.8(4) ?
    C25 C26 C27 C28 . . . . -177.0(2) ?
    C26 C27 C28 C26 . . . 2_557 -0.8(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
    N2 H2N O4 1_565 0.84(2) 1.94(2) 2.777(2) 176(3) yes
    N4 H4N O2 . 0.86(2) 2.11(2) 2.895(3) 152(3) yes
    O5 H5O O1 . 0.86(4) 2.14(4) 2.999(4) 176(7) yes
