##############################################################################
###                                                                        ###
###        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_global
_audit_creation_method     'SHELXL97'
_journal_date_recd_electronic     2006-09-18
_journal_date_accepted     2006-09-18
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2006
_journal_volume     62
_journal_issue     10
_journal_page_first     m2701
_journal_page_last     m2703
_journal_paper_category     EM
_journal_coeditor_code     HB2152
_publ_contact_author_name     'Xian-Feng Lin'
_publ_contact_author_address
;
Editorial Board of Jilin Normal University Journal,
Jilin Normal University, Siping 136000,
People's Republic of China
;
_publ_contact_author_email     xianfenglin2000@yahoo.com.cn
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;\
Poly[[(2-phenyl-1H-1,3,7,8,-tetraazacyclopenta[l]phenanthrene)\
zinc(II)]- μ₃-1,3-benzenedicarboxylato]
;
loop_
    _publ_author_name
    _publ_author_address
    'Xian-Feng Lin'
;
Editorial Board of Jilin Normal University Journal,
Jilin Normal University, Siping 136000,
People's Republic of China
;
    'Jun Sun'
;
Department of Chemistry, Jilin Normal University,
Siping 136000, People's Republic of China
;
    'Zhi-Xin Yu'
;
Department of Chemistry, Jilin Normal University,
Siping 136000, People's Republic of China
;
    'Xiao-Hong Zhao'
;
Department of Chemistry, Jilin Normal University,
Siping 136000, People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Poly[[(2-phenyl-1H-1,3,7,8,-tetraazacyclopenta[l]phenanthrene)zinc(II)]-
μ₃-1,3-benzenedicarboxylato]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C27 H16 N4 O4 Zn'
_chemical_formula_sum     'C27 H16 N4 O4 Zn'
_chemical_formula_iupac     '[Zn (C8 H4 O4) (C19 H12 N4)]'
_chemical_formula_weight     525.81
_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     16.846(3)
_cell_length_b     15.932(3)
_cell_length_c     17.398(4)
_cell_angle_alpha     90.00
_cell_angle_beta     108.38(3)
_cell_angle_gamma     90.00
_cell_volume     4431.3(17)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     13666
_cell_measurement_theta_min     0.31
_cell_measurement_theta_max     27.48
_cell_measurement_temperature     292(2)
_exptl_crystal_description     block
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.33
_exptl_crystal_size_mid     0.31
_exptl_crystal_size_min     0.29
_exptl_crystal_density_diffrn     1.576
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     2144
_exptl_absorpt_coefficient_mu     1.153
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(ABSCOR; Higashi, 1995)'
_exptl_absorpt_correction_T_min     0.691
_exptl_absorpt_correction_T_max     0.719
_exptl_special_details
;
;
_diffrn_ambient_temperature     292(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'rotating anode'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Rigaku R-AXIS RAPID'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     10.0
_diffrn_reflns_number     20760
_diffrn_reflns_av_R_equivalents     0.0652
_diffrn_reflns_av_sigmaI/netI     0.0529
_diffrn_reflns_theta_min     3.37
_diffrn_reflns_theta_max     27.47
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.992
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -20
_diffrn_reflns_limit_k_max     20
_diffrn_reflns_limit_l_min     -22
_diffrn_reflns_limit_l_max     22
_diffrn_standards_number     none
_diffrn_standards_interval_count     none
_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     5026
_reflns_number_gt     3482
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0750
_refine_ls_R_factor_gt     0.0414
_refine_ls_wR_factor_gt     0.0796
_refine_ls_wR_factor_ref     0.0895
_refine_ls_goodness_of_fit_ref     1.029
_refine_ls_restrained_S_all     1.029
_refine_ls_number_reflns     5026
_refine_ls_number_parameters     325
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0327P)²+4.2485P] 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     0.306
_refine_diff_density_min     -0.402
_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     'PROCESS-AUTO (Rigaku, 1998)'
_computing_cell_refinement     'PROCESS-AUTO'
_computing_data_reduction     'PROCESS-AUTO'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material     SHELXL97
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 0.18393(17) 0.10347(16) 0.60230(16) 0.0293(6) Uani d . 1 . .
    C C2 0.20464(15) 0.07493(16) 0.52837(15) 0.0265(6) Uani d . 1 . .
    C C3 0.27882(17) 0.10059(18) 0.51666(17) 0.0375(7) Uani d . 1 . .
    H H3A 0.3166 0.1336 0.5554 0.045 Uiso calc R 1 . .
    C C4 0.29625(18) 0.0768(2) 0.44734(19) 0.0433(7) Uani d . 1 . .
    H H4 0.3458 0.0944 0.4394 0.052 Uiso calc R 1 . .
    C C5 0.24092(17) 0.02733(17) 0.38957(17) 0.0348(6) Uani d . 1 . .
    H H5 0.2531 0.0118 0.3430 0.042 Uiso calc R 1 . .
    C C6 0.16713(16) 0.00081(15) 0.40131(15) 0.0264(6) Uani d . 1 . .
    C C7 0.14941(16) 0.02538(15) 0.47046(14) 0.0261(6) Uani d . 1 . .
    H H7 0.0996 0.0083 0.4781 0.031 Uiso calc R 1 . .
    C C8 0.10589(17) -0.05247(16) 0.33863(15) 0.0297(6) Uani d . 1 . .
    C C9 0.20489(19) 0.24880(18) 0.80253(18) 0.0424(7) Uani d . 1 . .
    H H9 0.2286 0.1970 0.8215 0.051 Uiso calc R 1 . .
    C C10 0.2463(2) 0.32118(19) 0.83757(19) 0.0484(8) Uani d . 1 . .
    H H10 0.2968 0.3175 0.8793 0.058 Uiso calc R 1 . .
    C C11 0.21294(19) 0.39779(18) 0.81091(18) 0.0417(7) Uani d . 1 . .
    H H11 0.2400 0.4466 0.8347 0.050 Uiso calc R 1 . .
    C C12 0.13729(17) 0.40218(17) 0.74718(16) 0.0312(6) Uani d . 1 . .
    C C13 0.09911(16) 0.32561(16) 0.71443(16) 0.0276(6) Uani d . 1 . .
    C C14 0.02148(17) 0.32513(17) 0.64740(16) 0.0301(6) Uani d . 1 . .
    C C15 -0.08199(19) 0.2452(2) 0.56149(19) 0.0460(8) Uani d . 1 . .
    H H15 -0.1049 0.1928 0.5437 0.055 Uiso calc R 1 . .
    C C16 -0.1241(2) 0.3164(2) 0.5231(2) 0.0531(9) Uani d . 1 . .
    H H16 -0.1741 0.3114 0.4808 0.064 Uiso calc R 1 . .
    C C17 -0.0914(2) 0.3936(2) 0.5481(2) 0.0512(9) Uani d . 1 . .
    H H17 -0.1184 0.4417 0.5226 0.061 Uiso calc R 1 . .
    C C18 -0.01664(17) 0.39986(17) 0.61251(17) 0.0337(6) Uani d . 1 . .
    C C19 0.02313(17) 0.47690(17) 0.64560(18) 0.0349(7) Uani d . 1 . .
    C C20 0.09587(17) 0.47701(16) 0.71043(17) 0.0319(6) Uani d . 1 . .
    C C21 0.05446(18) 0.60551(17) 0.67241(18) 0.0366(7) Uani d . 1 . .
    C C22 0.05414(18) 0.69748(17) 0.67039(18) 0.0376(7) Uani d . 1 . .
    C C23 0.0983(2) 0.74469(19) 0.7372(2) 0.0459(8) Uani d . 1 . .
    H H23 0.1299 0.7180 0.7845 0.055 Uiso calc R 1 . .
    C C24 0.0952(2) 0.8313(2) 0.7334(2) 0.0567(10) Uani d . 1 . .
    H H24 0.1237 0.8628 0.7788 0.068 Uiso calc R 1 . .
    C C25 0.0503(2) 0.8712(2) 0.6629(2) 0.0592(10) Uani d . 1 . .
    H H25 0.0496 0.9295 0.6602 0.071 Uiso calc R 1 . .
    C C26 0.0066(2) 0.8250(2) 0.5968(2) 0.0566(9) Uani d . 1 . .
    H H26 -0.0239 0.8519 0.5492 0.068 Uiso calc R 1 . .
    C C27 0.0079(2) 0.73833(19) 0.60048(19) 0.0468(8) Uani d . 1 . .
    H H27 -0.0227 0.7073 0.5556 0.056 Uiso calc R 1 . .
    N N1 -0.01129(14) 0.24840(14) 0.62177(14) 0.0329(5) Uani d . 1 . .
    N N2 0.13244(14) 0.25063(13) 0.74276(13) 0.0319(5) Uani d . 1 . .
    N N3 0.11511(15) 0.55999(13) 0.72731(14) 0.0350(5) Uani d . 1 . .
    H H3 0.1572 0.5796 0.7651 0.042 Uiso calc R 1 . .
    N N4 -0.00190(15) 0.55771(14) 0.62161(15) 0.0402(6) Uani d . 1 . .
    O O1 0.10636(12) 0.10485(12) 0.59466(11) 0.0363(5) Uani d . 1 . .
    O O2 0.24013(12) 0.12282(13) 0.66459(11) 0.0436(5) Uani d . 1 . .
    O O3 0.04130(13) -0.07486(12) 0.35351(12) 0.0422(5) Uani d . 1 . .
    O O4 0.12472(13) -0.06948(12) 0.27606(12) 0.0404(5) Uani d . 1 . .
    Zn Zn1 0.06563(2) 0.143258(18) 0.681927(18) 0.02816(10) Uani d . 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
    C1 0.0312(15) 0.0257(14) 0.0272(14) 0.0035(11) 0.0036(13) 0.0007(11)
    C2 0.0255(14) 0.0259(13) 0.0244(13) 0.0028(11) 0.0026(11) -0.0001(10)
    C3 0.0282(15) 0.0422(17) 0.0364(17) -0.0090(13) 0.0022(13) -0.0072(13)
    C4 0.0302(16) 0.056(2) 0.0472(19) -0.0081(14) 0.0174(15) -0.0058(15)
    C5 0.0336(15) 0.0415(17) 0.0322(16) 0.0005(13) 0.0145(13) -0.0026(12)
    C6 0.0279(14) 0.0209(12) 0.0281(14) 0.0016(11) 0.0054(11) -0.0007(10)
    C7 0.0250(13) 0.0283(14) 0.0242(13) 0.0001(11) 0.0067(11) 0.0009(10)
    C8 0.0368(16) 0.0218(13) 0.0264(14) 0.0022(12) 0.0038(12) 0.0028(11)
    C9 0.0449(18) 0.0302(16) 0.0429(18) -0.0001(14) 0.0007(15) 0.0059(13)
    C10 0.0494(19) 0.0363(17) 0.0433(19) -0.0009(15) -0.0085(16) 0.0048(14)
    C11 0.0461(18) 0.0297(16) 0.0394(18) -0.0060(13) -0.0005(15) -0.0001(12)
    C12 0.0337(15) 0.0297(15) 0.0292(15) -0.0007(12) 0.0085(13) 0.0001(11)
    C13 0.0296(14) 0.0262(14) 0.0297(14) -0.0014(11) 0.0131(12) -0.0005(11)
    C14 0.0283(14) 0.0301(14) 0.0325(15) -0.0033(12) 0.0103(13) -0.0021(11)
    C15 0.0422(18) 0.0367(18) 0.051(2) -0.0076(14) 0.0026(16) -0.0022(14)
    C16 0.0396(18) 0.0451(19) 0.057(2) -0.0039(15) -0.0109(17) -0.0057(16)
    C17 0.0410(19) 0.0409(18) 0.059(2) 0.0040(15) -0.0032(17) 0.0025(16)
    C18 0.0280(15) 0.0323(16) 0.0382(17) -0.0006(12) 0.0066(13) -0.0021(12)
    C19 0.0333(16) 0.0286(15) 0.0409(17) -0.0004(12) 0.0089(14) -0.0011(12)
    C20 0.0338(16) 0.0255(15) 0.0352(16) -0.0006(12) 0.0091(13) -0.0007(11)
    C21 0.0354(16) 0.0307(15) 0.0403(17) 0.0038(13) 0.0069(14) -0.0001(13)
    C22 0.0376(17) 0.0278(14) 0.0428(18) 0.0043(13) 0.0060(14) -0.0049(12)
    C23 0.0450(19) 0.0360(17) 0.0483(19) 0.0065(14) 0.0028(15) -0.0029(14)
    C24 0.056(2) 0.0348(18) 0.068(2) 0.0012(16) 0.0039(19) -0.0137(16)
    C25 0.064(2) 0.0265(17) 0.080(3) 0.0091(16) 0.013(2) 0.0006(16)
    C26 0.062(2) 0.0368(18) 0.061(2) 0.0147(17) 0.0051(19) 0.0067(16)
    C27 0.0464(19) 0.0372(17) 0.0461(19) 0.0075(14) -0.0007(16) -0.0026(14)
    N1 0.0316(13) 0.0299(13) 0.0343(13) -0.0044(10) 0.0061(11) 0.0007(10)
    N2 0.0378(13) 0.0260(12) 0.0296(13) -0.0007(10) 0.0072(11) 0.0021(9)
    N3 0.0374(13) 0.0259(12) 0.0352(13) 0.0015(10) 0.0023(11) -0.0030(10)
    N4 0.0337(14) 0.0329(14) 0.0451(15) 0.0018(11) -0.0002(12) 0.0010(11)
    O1 0.0307(11) 0.0522(12) 0.0252(10) 0.0011(9) 0.0079(9) -0.0047(8)
    O2 0.0368(11) 0.0550(13) 0.0306(11) 0.0017(10) -0.0013(10) -0.0134(9)
    O3 0.0428(12) 0.0434(12) 0.0374(12) -0.0180(10) 0.0083(10) -0.0019(9)
    O4 0.0448(12) 0.0426(12) 0.0326(11) 0.0033(10) 0.0105(10) -0.0132(9)
    Zn1 0.03444(18) 0.02656(16) 0.02283(16) -0.00407(15) 0.00810(13)
                                                                    -0.00010(13)
_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 . 1.232(3) y
    C1 O1 . 1.271(3) y
    C1 C2 . 1.505(4) ?
    C2 C7 . 1.383(3) ?
    C2 C3 . 1.389(4) ?
    C3 C4 . 1.381(4) ?
    C3 H3A . 0.9300 ?
    C4 C5 . 1.382(4) ?
    C4 H4 . 0.9300 ?
    C5 C6 . 1.388(4) ?
    C5 H5 . 0.9300 ?
    C6 C7 . 1.384(3) ?
    C6 C8 . 1.505(4) ?
    C7 H7 . 0.9300 ?
    C8 O3 . 1.247(3) y
    C8 O4 . 1.256(3) y
    C9 N2 . 1.331(4) ?
    C9 C10 . 1.386(4) ?
    C9 H9 . 0.9300 ?
    C10 C11 . 1.362(4) ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.403(4) ?
    C11 H11 . 0.9300 ?
    C12 C13 . 1.413(4) ?
    C12 C20 . 1.427(4) ?
    C13 N2 . 1.346(3) ?
    C13 C14 . 1.452(4) ?
    C14 N1 . 1.358(3) ?
    C14 C18 . 1.397(4) ?
    C15 N1 . 1.316(4) ?
    C15 C16 . 1.393(4) ?
    C15 H15 . 0.9300 ?
    C16 C17 . 1.361(4) ?
    C16 H16 . 0.9300 ?
    C17 C18 . 1.400(4) ?
    C17 H17 . 0.9300 ?
    C18 C19 . 1.430(4) ?
    C19 N4 . 1.378(3) ?
    C19 C20 . 1.379(4) ?
    C20 N3 . 1.371(3) ?
    C21 N4 . 1.317(4) ?
    C21 N3 . 1.366(3) ?
    C21 C22 . 1.466(4) ?
    C22 C27 . 1.383(4) ?
    C22 C23 . 1.387(4) ?
    C23 C24 . 1.381(4) ?
    C23 H23 . 0.9300 ?
    C24 C25 . 1.378(5) ?
    C24 H24 . 0.9300 ?
    C25 C26 . 1.368(5) ?
    C25 H25 . 0.9300 ?
    C26 C27 . 1.382(4) ?
    C26 H26 . 0.9300 ?
    C27 H27 . 0.9300 ?
    Zn1 N1 . 2.174(2) y
    Zn1 N2 . 2.136(2) y
    Zn1 O1 . 1.9513(18) y
    Zn1 O3 5_556 2.0277(19) y
    Zn1 O4 6_556 2.0067(19) y
    N3 H3 . 0.8600 ?
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 O1 . . 124.5(3) ?
    O2 C1 C2 . . 120.4(2) ?
    O1 C1 C2 . . 115.1(2) ?
    C7 C2 C3 . . 119.4(2) ?
    C7 C2 C1 . . 120.7(2) ?
    C3 C2 C1 . . 119.9(2) ?
    C4 C3 C2 . . 119.7(3) ?
    C4 C3 H3A . . 120.1 ?
    C2 C3 H3A . . 120.1 ?
    C3 C4 C5 . . 120.7(3) ?
    C3 C4 H4 . . 119.6 ?
    C5 C4 H4 . . 119.6 ?
    C4 C5 C6 . . 119.8(3) ?
    C4 C5 H5 . . 120.1 ?
    C6 C5 H5 . . 120.1 ?
    C7 C6 C5 . . 119.4(2) ?
    C7 C6 C8 . . 120.2(2) ?
    C5 C6 C8 . . 120.4(2) ?
    C2 C7 C6 . . 121.0(2) ?
    C2 C7 H7 . . 119.5 ?
    C6 C7 H7 . . 119.5 ?
    O3 C8 O4 . . 126.4(3) ?
    O3 C8 C6 . . 117.0(2) ?
    O4 C8 C6 . . 116.6(2) ?
    N2 C9 C10 . . 122.4(3) ?
    N2 C9 H9 . . 118.8 ?
    C10 C9 H9 . . 118.8 ?
    C11 C10 C9 . . 120.0(3) ?
    C11 C10 H10 . . 120.0 ?
    C9 C10 H10 . . 120.0 ?
    C10 C11 C12 . . 119.2(3) ?
    C10 C11 H11 . . 120.4 ?
    C12 C11 H11 . . 120.4 ?
    C11 C12 C13 . . 117.4(2) ?
    C11 C12 C20 . . 126.2(3) ?
    C13 C12 C20 . . 116.4(2) ?
    N2 C13 C12 . . 122.3(2) ?
    N2 C13 C14 . . 117.1(2) ?
    C12 C13 C14 . . 120.6(2) ?
    N1 C14 C18 . . 122.7(2) ?
    N1 C14 C13 . . 116.0(2) ?
    C18 C14 C13 . . 121.2(2) ?
    N1 C15 C16 . . 123.1(3) ?
    N1 C15 H15 . . 118.4 ?
    C16 C15 H15 . . 118.4 ?
    C17 C16 C15 . . 119.3(3) ?
    C17 C16 H16 . . 120.4 ?
    C15 C16 H16 . . 120.4 ?
    C16 C17 C18 . . 119.5(3) ?
    C16 C17 H17 . . 120.3 ?
    C18 C17 H17 . . 120.3 ?
    C14 C18 C17 . . 117.4(3) ?
    C14 C18 C19 . . 117.6(2) ?
    C17 C18 C19 . . 124.9(3) ?
    N4 C19 C20 . . 110.8(2) ?
    N4 C19 C18 . . 128.3(3) ?
    C20 C19 C18 . . 120.9(3) ?
    N3 C20 C19 . . 105.4(2) ?
    N3 C20 C12 . . 131.3(3) ?
    C19 C20 C12 . . 123.2(3) ?
    N4 C21 N3 . . 112.6(2) ?
    N4 C21 C22 . . 124.5(3) ?
    N3 C21 C22 . . 122.9(3) ?
    C27 C22 C23 . . 119.1(3) ?
    C27 C22 C21 . . 119.2(3) ?
    C23 C22 C21 . . 121.7(3) ?
    C24 C23 C22 . . 120.0(3) ?
    C24 C23 H23 . . 120.0 ?
    C22 C23 H23 . . 120.0 ?
    C25 C24 C23 . . 120.3(3) ?
    C25 C24 H24 . . 119.8 ?
    C23 C24 H24 . . 119.8 ?
    C26 C25 C24 . . 119.9(3) ?
    C26 C25 H25 . . 120.0 ?
    C24 C25 H25 . . 120.0 ?
    C25 C26 C27 . . 120.2(3) ?
    C25 C26 H26 . . 119.9 ?
    C27 C26 H26 . . 119.9 ?
    C26 C27 C22 . . 120.5(3) ?
    C26 C27 H27 . . 119.8 ?
    C22 C27 H27 . . 119.8 ?
    C15 N1 C14 . . 118.0(2) ?
    C15 N1 Zn1 . . 127.3(2) ?
    C14 N1 Zn1 . . 114.63(18) ?
    C9 N2 C13 . . 118.7(2) ?
    C9 N2 Zn1 . . 125.44(19) ?
    C13 N2 Zn1 . . 115.83(17) ?
    C21 N3 C20 . . 106.7(2) ?
    C21 N3 H3 . . 126.6 ?
    C20 N3 H3 . . 126.6 ?
    C21 N4 C19 . . 104.5(2) ?
    C1 O1 Zn1 . . 121.75(17) ?
    C8 O3 Zn1 . 5_556 147.14(19) ?
    C8 O4 Zn1 . 6 129.65(19) ?
    O1 Zn1 O4 . 6_556 104.22(8) y
    O1 Zn1 O3 . 5_556 95.25(8) y
    O4 Zn1 O3 6_556 5_556 95.62(9) y
    O1 Zn1 N2 . . 112.15(9) y
    O4 Zn1 N2 6_556 . 90.94(9) y
    O3 Zn1 N2 5_556 . 149.30(9) y
    O1 Zn1 N1 . . 99.76(9) y
    O4 Zn1 N1 6_556 . 155.69(9) y
    O3 Zn1 N1 5_556 . 86.00(9) y
    N2 Zn1 N1 . . 76.25(8) y
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
    N3 H3 O2 4_556 0.86 1.90 2.756(3) 170
