##############################################################################
#                                                                            #
# This CIF contains the data for a data article accepted for                 #
# publication in IUCrData. It conforms to the requirements of                #
# Notes for Authors for IUCrData, and has been                               #
# peer reviewed under the auspices of IUCrData.                              #
#                                                                            #
# 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 data    # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2016-08-29
_journal_date_accepted     2016-10-13
_journal_name_full     'IUCrData'
_journal_year     2016
_journal_volume     1
_journal_issue     10
_journal_page_first     0
_journal_page_last     0
_journal_paper_category     HM
_journal_paper_doi     10.1107/S2414314616016266
_journal_coeditor_code     WM4025
_publ_contact_author_name     'Masaaki Sadakiyo'
_publ_contact_author_address
;
International Institute for Carbon-Neutral Energy Research,
Kyushu University
Moto-oka 744, Nishi-ku,
Fukuoka 819-0395, Japan
;
_publ_contact_author_email     sadakiyo@i2cner.kyushu-u.ac.jp
_publ_contact_author_fax     '+81-92-802-6686'
_publ_contact_author_phone     '+81-92-802-6686'
_publ_section_title
;\
Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ³N¹,N²:\
N³}(nitrato-κO)dizinc(II)]
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Kuramoto, Takahiro' .
;
Department of Chemistry, Faculty of Science
Kyushu University
Moto-oka 744, Nishi-ku,
Fukuoka 819-0395,
Japan
;
    'Sadakiyo, Masaaki' .
;
International Institute for Carbon-Neutral Energy Research (WPI-I2CNER),
Kyushu University
Moto-oka 744, Nishi-ku,
Fukuoka 819-0395,
Japan
;
    'Yamauchi, Miho' .
;
International Institute for Carbon-Neutral Energy Research (WPI-I2CNER),
Kyushu University
Moto-oka 744, Nishi-ku,
Fukuoka 819-0395,
Japan
;
_publ_section_synopsis
;
The crystal structure of this coordination polymer comprises helical chains
constructed from ZnII ions and 2-[(dimethylamino)methyl]imidazolate ligands.
;
_chemical_name_systematic
;\
Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-\
κ³N¹,N²:N³}(nitrato-κO)dizinc(II)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C18 H30 N10 O3 Zn2'
_chemical_formula_sum     'C18 H30 N10 O3 Zn2'
_chemical_formula_iupac     '[Zn2 (C6 H10 N3)3 (N O3)]'
_chemical_formula_weight     565.26
_chemical_melting_point     ?
_symmetry_cell_setting     hexagonal
_symmetry_space_group_name_H-M     'P 61'
_symmetry_space_group_name_Hall     'P 61'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, z+1/2'
    '-y, x-y, z+1/3'
    '-x+y, -x, z+2/3'
    'x-y, x, z+1/6'
    'y, -x+y, z+5/6'
_cell_length_a     9.2437(8)
_cell_length_b     9.2437(8)
_cell_length_c     47.683(4)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     120.00
_cell_volume     3528.5(5)
_cell_formula_units_Z     6
_cell_measurement_reflns_used     9942
_cell_measurement_theta_min     2.54
_cell_measurement_theta_max     28.84
_cell_measurement_temperature     100(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.10
_exptl_crystal_size_mid     0.10
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.596
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1752
_exptl_absorpt_coefficient_mu     2.081
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2007)
;
_exptl_absorpt_correction_T_min     0.8189
_exptl_absorpt_correction_T_max     0.8189
_exptl_special_details     ?
_diffrn_ambient_temperature     100(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEXII CCD'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     21198
_diffrn_reflns_av_R_equivalents     0.0228
_diffrn_reflns_av_sigmaI/netI     0.0326
_diffrn_reflns_theta_min     2.54
_diffrn_reflns_theta_max     29.00
_diffrn_reflns_theta_full     29.00
_diffrn_measured_fraction_theta_max     0.956
_diffrn_measured_fraction_theta_full     0.956
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -64
_diffrn_reflns_limit_l_max     64
_diffrn_standards_number     ?
_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 > 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     5835
_reflns_number_gt     5595
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0263
_refine_ls_R_factor_gt     0.0246
_refine_ls_wR_factor_gt     0.0602
_refine_ls_wR_factor_ref     0.0607
_refine_ls_goodness_of_fit_ref     1.034
_refine_ls_restrained_S_all     1.034
_refine_ls_number_reflns     5835
_refine_ls_number_parameters     331
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0286P)²+1.2071P] 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     0.856
_refine_diff_density_min     -0.259
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details
;
Flack (1983), 2004 Friedel pairs
;
_refine_ls_abs_structure_Flack     0.010(8)
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, 2007)
;
_computing_cell_refinement
;
SAINT (Bruker, 2007)
;
_computing_data_reduction
;
SAINT (Bruker, 2007)
;
_computing_structure_solution
;
SIR2002 (Burla et al., 2003)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
Yadokari-XG (Kabuto 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_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Zn Zn1 0.96338(4) 0.51358(3) 0.423976(5) 0.02299(7) Uani d . 1 1 . .
    Zn Zn2 0.91659(3) 0.90826(3) 0.517388(5) 0.01875(6) Uani d . 1 1 . .
    N N1 1.0431(2) 0.7009(2) 0.39668(4) 0.0187(4) Uani d . 1 1 . .
    N N2 0.8514(2) 0.7160(2) 0.49260(4) 0.0189(4) Uani d . 1 1 . .
    N N3 1.1380(2) 1.0233(2) 0.53585(4) 0.0191(4) Uani d . 1 1 . .
    N N4 0.8770(2) 0.5671(2) 0.45813(4) 0.0188(4) Uani d . 1 1 . .
    N N5 0.8621(3) 0.2810(2) 0.41073(4) 0.0227(4) Uani d . 1 1 . .
    N N6 0.7489(2) 0.8132(2) 0.55003(4) 0.0204(4) Uani d . 1 1 . .
    N N7 0.6872(2) 0.4885(2) 0.39504(4) 0.0213(4) Uani d . 1 1 . .
    C C1 0.9489(3) 0.7127(3) 0.47207(5) 0.0172(4) Uani d . 1 1 . .
    N N8 1.1186(2) 1.0145(2) 0.46746(4) 0.0215(4) Uani d . 1 1 . .
    N N9 0.8060(2) 1.0574(2) 0.51150(4) 0.0214(4) Uani d . 1 1 . .
    C C2 0.7078(3) 0.5625(3) 0.49164(5) 0.0220(4) Uani d . 1 1 . .
    H H1 0.6137 0.5261 0.5036 0.026 Uiso calc R 1 1 . .
    N N10 1.2858(3) 0.5830(3) 0.44997(5) 0.0295(5) Uani d . 1 1 . .
    C C3 0.9140(3) 0.2259(3) 0.38929(5) 0.0201(4) Uani d . 1 1 . .
    C C4 1.2009(3) 0.8129(3) 0.38672(5) 0.0233(5) Uani d . 1 1 . .
    H H2 1.3008 0.8116 0.3908 0.028 Uiso calc R 1 1 . .
    C C5 1.1198(3) 0.8562(3) 0.46715(5) 0.0192(4) Uani d . 1 1 . .
    H H3 1.1962 0.8583 0.4819 0.023 Uiso calc R 1 1 . .
    H H4 1.1617 0.8426 0.4488 0.023 Uiso calc R 1 1 . .
    C C6 0.6743(3) 0.6850(3) 0.56929(5) 0.0238(5) Uani d . 1 1 . .
    H H5 0.6916 0.5922 0.5708 0.029 Uiso calc R 1 1 . .
    C C7 0.7236(3) 0.4722(3) 0.47082(5) 0.0234(5) Uani d . 1 1 . .
    H H6 0.6422 0.3615 0.4657 0.028 Uiso calc R 1 1 . .
    C C8 1.2627(3) 1.1880(3) 0.53668(5) 0.0237(5) Uani d . 1 1 . .
    H H7 1.2616 1.2777 0.5272 0.028 Uiso calc R 1 1 . .
    C C9 0.9425(3) 0.7511(3) 0.38563(5) 0.0170(4) Uani d . 1 1 . .
    C C10 0.6820(3) 0.4142(3) 0.36753(5) 0.0280(5) Uani d . 1 1 . .
    H H8 0.6079 0.4310 0.3550 0.042 Uiso calc R 1 1 . .
    H H9 0.6400 0.2943 0.3698 0.042 Uiso calc R 1 1 . .
    H H10 0.7948 0.4677 0.3595 0.042 Uiso calc R 1 1 . .
    C C11 0.7485(3) 1.0731(3) 0.53982(5) 0.0235(5) Uani d . 1 1 . .
    H H11 0.6570 1.0987 0.5380 0.028 Uiso calc R 1 1 . .
    H H12 0.8417 1.1662 0.5501 0.028 Uiso calc R 1 1 . .
    C C12 0.7593(3) 0.6679(3) 0.39220(5) 0.0198(4) Uani d . 1 1 . .
    H H13 0.7430 0.7142 0.4099 0.024 Uiso calc R 1 1 . .
    H H14 0.7011 0.6917 0.3770 0.024 Uiso calc R 1 1 . .
    C C13 0.6598(3) 0.9608(3) 0.49275(5) 0.0292(5) Uani d . 1 1 . .
    H H15 0.5967 1.0196 0.4910 0.044 Uiso calc R 1 1 . .
    H H16 0.5877 0.8496 0.5007 0.044 Uiso calc R 1 1 . .
    H H17 0.6989 0.9496 0.4742 0.044 Uiso calc R 1 1 . .
    C C14 1.0359(3) 1.0285(3) 0.44220(5) 0.0285(5) Uani d . 1 1 . .
    H H18 1.0997 1.0314 0.4256 0.043 Uiso calc R 1 1 . .
    H H19 1.0301 1.1314 0.4431 0.043 Uiso calc R 1 1 . .
    H H20 0.9227 0.9321 0.4410 0.043 Uiso calc R 1 1 . .
    C C15 0.9136(4) 1.2257(3) 0.49959(6) 0.0308(5) Uani d . 1 1 . .
    H H21 0.9518 1.2155 0.4809 0.046 Uiso calc R 1 1 . .
    H H22 1.0105 1.2891 0.5118 0.046 Uiso calc R 1 1 . .
    H H23 0.8499 1.2841 0.4981 0.046 Uiso calc R 1 1 . .
    C C16 0.7148(3) 0.1427(3) 0.41900(5) 0.0260(5) Uani d . 1 1 . .
    H H24 0.6451 0.1404 0.4338 0.031 Uiso calc R 1 1 . .
    C C17 1.2918(3) 1.1527(3) 0.46788(6) 0.0322(6) Uani d . 1 1 . .
    H H25 1.3490 1.1496 0.4508 0.048 Uiso calc R 1 1 . .
    H H26 1.3493 1.1417 0.4843 0.048 Uiso calc R 1 1 . .
    H H27 1.2927 1.2591 0.4688 0.048 Uiso calc R 1 1 . .
    C C18 0.5178(3) 0.4166(4) 0.40630(6) 0.0340(6) Uani d . 1 1 . .
    H H28 0.5221 0.4640 0.4249 0.051 Uiso calc R 1 1 . .
    H H29 0.4678 0.2952 0.4079 0.051 Uiso calc R 1 1 . .
    H H30 0.4500 0.4424 0.3937 0.051 Uiso calc R 1 1 . .
    O O1 1.2289(5) 0.5962(6) 0.42732(8) 0.0351(9) Uani d P 0.50 1 . .
    O O2 1.1877(7) 0.4844(8) 0.46768(10) 0.0545(13) Uani d P 0.50 1 . .
    O O3 1.4340(5) 0.6432(7) 0.45486(11) 0.0483(11) Uani d P 0.50 1 . .
    O O4 1.3830(9) 0.7235(7) 0.44125(15) 0.092(2) Uani d P 0.50 1 . .
    O O5 1.1560(6) 0.4869(6) 0.43798(13) 0.0569(14) Uani d P 0.50 1 . .
    O O6 1.3130(11) 0.5543(7) 0.47393(11) 0.086(2) Uani d P 0.50 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 0.03698(15) 0.02441(13) 0.01474(11) 0.02071(12) 0.00109(11) -0.00093(10)
    Zn2 0.02086(12) 0.02111(12) 0.01535(11) 0.01129(10) -0.00115(10)
                                                                    -0.00447(10)
    N1 0.0165(8) 0.0235(9) 0.0162(9) 0.0102(7) -0.0002(7) -0.0016(7)
    N2 0.0209(9) 0.0191(9) 0.0143(8) 0.0081(7) 0.0009(7) -0.0018(7)
    N3 0.0217(9) 0.0173(8) 0.0167(9) 0.0085(7) 0.0011(7) -0.0010(7)
    N4 0.0225(9) 0.0179(8) 0.0151(9) 0.0095(7) -0.0004(7) -0.0016(7)
    N5 0.0373(11) 0.0253(10) 0.0122(9) 0.0206(9) 0.0016(8) 0.0011(7)
    N6 0.0213(9) 0.0212(9) 0.0170(9) 0.0093(8) 0.0006(7) -0.0003(7)
    N7 0.0167(9) 0.0220(9) 0.0206(9) 0.0063(7) -0.0016(7) 0.0009(8)
    C1 0.0226(10) 0.0197(9) 0.0114(9) 0.0122(8) -0.0005(8) -0.0003(7)
    N8 0.0263(10) 0.0178(8) 0.0156(9) 0.0074(7) -0.0008(7) -0.0011(7)
    N9 0.0264(9) 0.0254(9) 0.0150(9) 0.0149(8) 0.0030(7) -0.0003(7)
    C2 0.0203(10) 0.0197(10) 0.0215(11) 0.0067(9) 0.0060(9) 0.0007(9)
    N10 0.0276(11) 0.0275(10) 0.0348(13) 0.0148(9) -0.0076(9) -0.0033(9)
    C3 0.0261(11) 0.0236(11) 0.0142(10) 0.0151(9) -0.0047(8) -0.0041(8)
    C4 0.0164(10) 0.0322(12) 0.0213(11) 0.0121(9) -0.0007(9) -0.0020(9)
    C5 0.0224(10) 0.0230(10) 0.0135(10) 0.0124(9) 0.0014(8) -0.0020(8)
    C6 0.0207(10) 0.0254(11) 0.0220(11) 0.0091(9) -0.0002(9) 0.0035(9)
    C7 0.0247(11) 0.0180(10) 0.0232(12) 0.0074(9) -0.0009(9) -0.0034(9)
    C8 0.0289(12) 0.0174(10) 0.0224(12) 0.0097(9) 0.0035(9) 0.0027(9)
    C9 0.0164(9) 0.0191(9) 0.0151(10) 0.0087(8) -0.0019(8) -0.0042(8)
    C10 0.0284(12) 0.0265(12) 0.0217(12) 0.0082(10) -0.0052(10) -0.0029(9)
    C11 0.0301(12) 0.0281(11) 0.0164(11) 0.0177(10) 0.0054(9) -0.0011(9)
    C12 0.0169(10) 0.0237(11) 0.0198(11) 0.0109(8) -0.0003(8) 0.0010(9)
    C13 0.0307(12) 0.0433(14) 0.0183(11) 0.0221(11) -0.0015(10) 0.0029(10)
    C14 0.0416(14) 0.0278(12) 0.0172(11) 0.0181(11) -0.0037(10) 0.0023(9)
    C15 0.0392(14) 0.0317(13) 0.0265(13) 0.0216(11) 0.0098(11) 0.0072(10)
    C16 0.0379(13) 0.0328(12) 0.0171(11) 0.0252(11) 0.0046(9) 0.0050(9)
    C17 0.0306(13) 0.0243(12) 0.0254(13) 0.0014(10) 0.0080(10) 0.0022(10)
    C18 0.0194(11) 0.0378(14) 0.0333(15) 0.0055(10) 0.0016(10) 0.0053(11)
    O1 0.034(2) 0.055(3) 0.0236(19) 0.027(2) -0.0030(15) 0.0123(18)
    O2 0.049(3) 0.084(4) 0.028(2) 0.033(3) 0.010(2) 0.026(2)
    O3 0.0231(19) 0.068(3) 0.056(3) 0.025(2) -0.0217(19) -0.017(2)
    O4 0.091(5) 0.045(3) 0.072(4) -0.017(3) -0.008(4) 0.028(3)
    O5 0.032(2) 0.045(3) 0.090(4) 0.017(2) -0.024(3) -0.015(3)
    O6 0.128(6) 0.051(3) 0.031(3) 0.008(4) -0.028(4) -0.004(2)
_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 N5 . 1.971(2) ?
    Zn1 N4 . 1.9827(19) ?
    Zn1 N1 . 1.9898(19) ?
    Zn1 O5 . 2.029(4) ?
    Zn1 O1 . 2.182(4) ?
    Zn2 N2 . 1.9611(19) ?
    Zn2 N3 . 1.979(2) ?
    Zn2 N6 . 2.058(2) ?
    Zn2 N9 . 2.1054(19) ?
    N1 C9 . 1.338(3) ?
    N1 C4 . 1.383(3) ?
    N2 C1 . 1.341(3) ?
    N2 C2 . 1.376(3) ?
    N3 C9 5_655 1.336(3) ?
    N3 C8 . 1.376(3) ?
    N4 C1 . 1.342(3) ?
    N4 C7 . 1.379(3) ?
    N5 C3 . 1.333(3) ?
    N5 C16 . 1.379(3) ?
    N6 C3 5 1.337(3) ?
    N6 C6 . 1.381(3) ?
    N7 C12 . 1.451(3) ?
    N7 C18 . 1.463(3) ?
    N7 C10 . 1.470(3) ?
    C1 C5 . 1.489(3) ?
    N8 C17 . 1.466(3) ?
    N8 C14 . 1.466(3) ?
    N8 C5 . 1.468(3) ?
    N9 C15 . 1.479(3) ?
    N9 C11 . 1.484(3) ?
    N9 C13 . 1.489(3) ?
    C2 C7 . 1.351(3) ?
    C2 H1 . 0.9500 ?
    N10 O3 . 1.216(4) ?
    N10 O5 . 1.220(5) ?
    N10 O4 . 1.225(5) ?
    N10 O6 . 1.227(6) ?
    N10 O1 . 1.234(4) ?
    N10 O2 . 1.240(5) ?
    C3 N6 6_554 1.337(3) ?
    C3 C11 6_554 1.499(3) ?
    C4 C8 6_564 1.361(4) ?
    C4 H2 . 0.9500 ?
    C5 H3 . 0.9900 ?
    C5 H4 . 0.9900 ?
    C6 C16 5 1.357(3) ?
    C6 H5 . 0.9500 ?
    C7 H6 . 0.9500 ?
    C8 C4 5_655 1.361(4) ?
    C8 H7 . 0.9500 ?
    C9 N3 6_564 1.336(3) ?
    C9 C12 . 1.502(3) ?
    C10 H8 . 0.9800 ?
    C10 H9 . 0.9800 ?
    C10 H10 . 0.9800 ?
    C11 C3 5 1.499(3) ?
    C11 H11 . 0.9900 ?
    C11 H12 . 0.9900 ?
    C12 H13 . 0.9900 ?
    C12 H14 . 0.9900 ?
    C13 H15 . 0.9800 ?
    C13 H16 . 0.9800 ?
    C13 H17 . 0.9800 ?
    C14 H18 . 0.9800 ?
    C14 H19 . 0.9800 ?
    C14 H20 . 0.9800 ?
    C15 H21 . 0.9800 ?
    C15 H22 . 0.9800 ?
    C15 H23 . 0.9800 ?
    C16 C6 6_554 1.357(3) ?
    C16 H24 . 0.9500 ?
    C17 H25 . 0.9800 ?
    C17 H26 . 0.9800 ?
    C17 H27 . 0.9800 ?
    C18 H28 . 0.9800 ?
    C18 H29 . 0.9800 ?
    C18 H30 . 0.9800 ?
    O1 O5 . 1.026(6) ?
    O1 O4 . 1.476(8) ?
    O2 O6 . 1.049(9) ?
    O2 O5 . 1.448(8) ?
    O3 O4 . 1.243(9) ?
    O3 O6 . 1.354(9) ?
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
    N5 Zn1 N4 . . 120.32(8) ?
    N5 Zn1 N1 . . 120.45(8) ?
    N4 Zn1 N1 . . 109.89(8) ?
    N5 Zn1 O5 . . 86.57(15) ?
    N4 Zn1 O5 . . 104.32(19) ?
    N1 Zn1 O5 . . 110.81(19) ?
    N5 Zn1 O1 . . 104.05(14) ?
    N4 Zn1 O1 . . 112.07(12) ?
    N1 Zn1 O1 . . 83.14(12) ?
    O5 Zn1 O1 . . 27.90(18) ?
    N2 Zn2 N3 . . 121.43(8) ?
    N2 Zn2 N6 . . 104.15(8) ?
    N3 Zn2 N6 . . 104.40(8) ?
    N2 Zn2 N9 . . 118.88(8) ?
    N3 Zn2 N9 . . 114.69(8) ?
    N6 Zn2 N9 . . 82.62(8) ?
    C9 N1 C4 . . 105.11(19) ?
    C9 N1 Zn1 . . 122.68(15) ?
    C4 N1 Zn1 . . 132.00(16) ?
    C1 N2 C2 . . 105.33(19) ?
    C1 N2 Zn2 . . 123.71(15) ?
    C2 N2 Zn2 . . 130.96(15) ?
    C9 N3 C8 5_655 . 105.18(19) ?
    C9 N3 Zn2 5_655 . 122.17(15) ?
    C8 N3 Zn2 . . 132.59(16) ?
    C1 N4 C7 . . 104.87(18) ?
    C1 N4 Zn1 . . 126.74(15) ?
    C7 N4 Zn1 . . 128.02(15) ?
    C3 N5 C16 . . 104.0(2) ?
    C3 N5 Zn1 . . 126.65(17) ?
    C16 N5 Zn1 . . 128.99(16) ?
    C3 N6 C6 5 . 104.74(19) ?
    C3 N6 Zn2 5 . 110.60(15) ?
    C6 N6 Zn2 . . 144.64(17) ?
    C12 N7 C18 . . 109.21(19) ?
    C12 N7 C10 . . 109.88(19) ?
    C18 N7 C10 . . 109.74(19) ?
    N2 C1 N4 . . 112.5(2) ?
    N2 C1 C5 . . 121.4(2) ?
    N4 C1 C5 . . 126.0(2) ?
    C17 N8 C14 . . 108.9(2) ?
    C17 N8 C5 . . 108.6(2) ?
    C14 N8 C5 . . 110.11(18) ?
    C15 N9 C11 . . 109.38(19) ?
    C15 N9 C13 . . 109.37(19) ?
    C11 N9 C13 . . 110.07(19) ?
    C15 N9 Zn2 . . 116.67(15) ?
    C11 N9 Zn2 . . 104.92(14) ?
    C13 N9 Zn2 . . 106.24(15) ?
    C7 C2 N2 . . 108.4(2) ?
    C7 C2 H1 . . 125.8 ?
    N2 C2 H1 . . 125.8 ?
    O3 N10 O5 . . 153.6(4) ?
    O3 N10 O4 . . 61.2(5) ?
    O5 N10 O4 . . 123.1(5) ?
    O3 N10 O6 . . 67.3(5) ?
    O5 N10 O6 . . 120.8(5) ?
    O4 N10 O6 . . 115.1(5) ?
    O3 N10 O1 . . 124.1(4) ?
    O5 N10 O1 . . 49.4(3) ?
    O4 N10 O1 . . 73.8(4) ?
    O6 N10 O1 . . 168.6(5) ?
    O3 N10 O2 . . 116.7(4) ?
    O5 N10 O2 . . 72.1(4) ?
    O4 N10 O2 . . 152.8(5) ?
    O6 N10 O2 . . 50.3(4) ?
    O1 N10 O2 . . 118.5(4) ?
    N5 C3 N6 . 6_554 113.9(2) ?
    N5 C3 C11 . 6_554 126.3(2) ?
    N6 C3 C11 6_554 6_554 119.7(2) ?
    C8 C4 N1 6_564 . 108.1(2) ?
    C8 C4 H2 6_564 . 125.9 ?
    N1 C4 H2 . . 125.9 ?
    N8 C5 C1 . . 110.65(18) ?
    N8 C5 H3 . . 109.5 ?
    C1 C5 H3 . . 109.5 ?
    N8 C5 H4 . . 109.5 ?
    C1 C5 H4 . . 109.5 ?
    H3 C5 H4 . . 108.1 ?
    C16 C6 N6 5 . 107.9(2) ?
    C16 C6 H5 5 . 126.0 ?
    N6 C6 H5 . . 126.0 ?
    C2 C7 N4 . . 108.9(2) ?
    C2 C7 H6 . . 125.6 ?
    N4 C7 H6 . . 125.6 ?
    C4 C8 N3 5_655 . 108.6(2) ?
    C4 C8 H7 5_655 . 125.7 ?
    N3 C8 H7 . . 125.7 ?
    N3 C9 N1 6_564 . 112.97(19) ?
    N3 C9 C12 6_564 . 124.2(2) ?
    N1 C9 C12 . . 122.8(2) ?
    N7 C10 H8 . . 109.5 ?
    N7 C10 H9 . . 109.5 ?
    H8 C10 H9 . . 109.5 ?
    N7 C10 H10 . . 109.5 ?
    H8 C10 H10 . . 109.5 ?
    H9 C10 H10 . . 109.5 ?
    N9 C11 C3 . 5 110.31(18) ?
    N9 C11 H11 . . 109.6 ?
    C3 C11 H11 5 . 109.6 ?
    N9 C11 H12 . . 109.6 ?
    C3 C11 H12 5 . 109.6 ?
    H11 C11 H12 . . 108.1 ?
    N7 C12 C9 . . 111.15(18) ?
    N7 C12 H13 . . 109.4 ?
    C9 C12 H13 . . 109.4 ?
    N7 C12 H14 . . 109.4 ?
    C9 C12 H14 . . 109.4 ?
    H13 C12 H14 . . 108.0 ?
    N9 C13 H15 . . 109.5 ?
    N9 C13 H16 . . 109.5 ?
    H15 C13 H16 . . 109.5 ?
    N9 C13 H17 . . 109.5 ?
    H15 C13 H17 . . 109.5 ?
    H16 C13 H17 . . 109.5 ?
    N8 C14 H18 . . 109.5 ?
    N8 C14 H19 . . 109.5 ?
    H18 C14 H19 . . 109.5 ?
    N8 C14 H20 . . 109.5 ?
    H18 C14 H20 . . 109.5 ?
    H19 C14 H20 . . 109.5 ?
    N9 C15 H21 . . 109.5 ?
    N9 C15 H22 . . 109.5 ?
    H21 C15 H22 . . 109.5 ?
    N9 C15 H23 . . 109.5 ?
    H21 C15 H23 . . 109.5 ?
    H22 C15 H23 . . 109.5 ?
    C6 C16 N5 6_554 . 109.3(2) ?
    C6 C16 H24 6_554 . 125.3 ?
    N5 C16 H24 . . 125.3 ?
    N8 C17 H25 . . 109.5 ?
    N8 C17 H26 . . 109.5 ?
    H25 C17 H26 . . 109.5 ?
    N8 C17 H27 . . 109.5 ?
    H25 C17 H27 . . 109.5 ?
    H26 C17 H27 . . 109.5 ?
    N7 C18 H28 . . 109.5 ?
    N7 C18 H29 . . 109.5 ?
    H28 C18 H29 . . 109.5 ?
    N7 C18 H30 . . 109.5 ?
    H28 C18 H30 . . 109.5 ?
    H29 C18 H30 . . 109.5 ?
    O5 O1 N10 . . 64.6(3) ?
    O5 O1 O4 . . 117.3(5) ?
    N10 O1 O4 . . 52.8(3) ?
    O5 O1 Zn1 . . 67.8(3) ?
    N10 O1 Zn1 . . 119.3(3) ?
    O4 O1 Zn1 . . 141.3(5) ?
    O6 O2 N10 . . 64.2(4) ?
    O6 O2 O5 . . 116.0(5) ?
    N10 O2 O5 . . 53.3(3) ?
    N10 O3 O4 . . 59.7(3) ?
    N10 O3 O6 . . 56.7(4) ?
    O4 O3 O6 . . 105.5(6) ?
    N10 O4 O3 . . 59.1(4) ?
    N10 O4 O1 . . 53.4(3) ?
    O3 O4 O1 . . 105.2(5) ?
    O1 O5 N10 . . 66.0(3) ?
    O1 O5 O2 . . 117.5(5) ?
    N10 O5 O2 . . 54.6(3) ?
    O1 O5 Zn1 . . 84.3(4) ?
    N10 O5 Zn1 . . 132.0(4) ?
    O2 O5 Zn1 . . 121.4(4) ?
    O2 O6 N10 . . 65.5(4) ?
    O2 O6 O3 . . 120.4(6) ?
    N10 O6 O3 . . 56.0(3) ?
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
    N5 Zn1 N1 C9 . . . . 85.68(19) ?
    N4 Zn1 N1 C9 . . . . -60.98(19) ?
    O5 Zn1 N1 C9 . . . . -175.8(2) ?
    O1 Zn1 N1 C9 . . . . -172.0(2) ?
    N5 Zn1 N1 C4 . . . . -100.4(2) ?
    N4 Zn1 N1 C4 . . . . 113.0(2) ?
    O5 Zn1 N1 C4 . . . . -1.8(3) ?
    O1 Zn1 N1 C4 . . . . 1.9(2) ?
    N3 Zn2 N2 C1 . . . . -47.6(2) ?
    N6 Zn2 N2 C1 . . . . -164.67(18) ?
    N9 Zn2 N2 C1 . . . . 106.03(18) ?
    N3 Zn2 N2 C2 . . . . 132.1(2) ?
    N6 Zn2 N2 C2 . . . . 15.0(2) ?
    N9 Zn2 N2 C2 . . . . -74.3(2) ?
    N2 Zn2 N3 C9 . . . 5_655 -56.5(2) ?
    N6 Zn2 N3 C9 . . . 5_655 60.37(18) ?
    N9 Zn2 N3 C9 . . . 5_655 148.78(16) ?
    N2 Zn2 N3 C8 . . . . 126.6(2) ?
    N6 Zn2 N3 C8 . . . . -116.5(2) ?
    N9 Zn2 N3 C8 . . . . -28.1(2) ?
    N5 Zn1 N4 C1 . . . . 168.46(17) ?
    N1 Zn1 N4 C1 . . . . -44.8(2) ?
    O5 Zn1 N4 C1 . . . . 74.0(2) ?
    O1 Zn1 N4 C1 . . . . 45.7(2) ?
    N5 Zn1 N4 C7 . . . . -19.6(2) ?
    N1 Zn1 N4 C7 . . . . 127.07(19) ?
    O5 Zn1 N4 C7 . . . . -114.1(2) ?
    O1 Zn1 N4 C7 . . . . -142.4(2) ?
    N4 Zn1 N5 C3 . . . . -175.44(18) ?
    N1 Zn1 N5 C3 . . . . 41.3(2) ?
    O5 Zn1 N5 C3 . . . . -70.8(3) ?
    O1 Zn1 N5 C3 . . . . -48.9(2) ?
    N4 Zn1 N5 C16 . . . . 12.3(2) ?
    N1 Zn1 N5 C16 . . . . -130.93(19) ?
    O5 Zn1 N5 C16 . . . . 116.9(3) ?
    O1 Zn1 N5 C16 . . . . 138.8(2) ?
    N2 Zn2 N6 C3 . . . 5 -133.67(16) ?
    N3 Zn2 N6 C3 . . . 5 98.02(16) ?
    N9 Zn2 N6 C3 . . . 5 -15.66(15) ?
    N2 Zn2 N6 C6 . . . . 48.5(3) ?
    N3 Zn2 N6 C6 . . . . -79.8(3) ?
    N9 Zn2 N6 C6 . . . . 166.5(3) ?
    C2 N2 C1 N4 . . . . -0.1(3) ?
    Zn2 N2 C1 N4 . . . . 179.66(15) ?
    C2 N2 C1 C5 . . . . -177.7(2) ?
    Zn2 N2 C1 C5 . . . . 2.1(3) ?
    C7 N4 C1 N2 . . . . 0.0(3) ?
    Zn1 N4 C1 N2 . . . . 173.36(15) ?
    C7 N4 C1 C5 . . . . 177.4(2) ?
    Zn1 N4 C1 C5 . . . . -9.2(3) ?
    N2 Zn2 N9 C15 . . . . -108.29(17) ?
    N3 Zn2 N9 C15 . . . . 47.08(19) ?
    N6 Zn2 N9 C15 . . . . 149.58(18) ?
    N2 Zn2 N9 C11 . . . . 130.50(14) ?
    N3 Zn2 N9 C11 . . . . -74.13(16) ?
    N6 Zn2 N9 C11 . . . . 28.38(14) ?
    N2 Zn2 N9 C13 . . . . 13.91(17) ?
    N3 Zn2 N9 C13 . . . . 169.28(14) ?
    N6 Zn2 N9 C13 . . . . -88.21(15) ?
    C1 N2 C2 C7 . . . . 0.2(3) ?
    Zn2 N2 C2 C7 . . . . -179.52(17) ?
    C16 N5 C3 N6 . . . 6_554 -0.6(3) ?
    Zn1 N5 C3 N6 . . . 6_554 -174.38(15) ?
    C16 N5 C3 C11 . . . 6_554 -177.3(2) ?
    Zn1 N5 C3 C11 . . . 6_554 8.8(3) ?
    C9 N1 C4 C8 . . . 6_564 -0.3(3) ?
    Zn1 N1 C4 C8 . . . 6_564 -175.00(17) ?
    C17 N8 C5 C1 . . . . 169.44(19) ?
    C14 N8 C5 C1 . . . . -71.4(2) ?
    N2 C1 C5 N8 . . . . -46.1(3) ?
    N4 C1 C5 N8 . . . . 136.6(2) ?
    C3 N6 C6 C16 5 . . 5 0.3(3) ?
    Zn2 N6 C6 C16 . . . 5 178.2(2) ?
    N2 C2 C7 N4 . . . . -0.3(3) ?
    C1 N4 C7 C2 . . . . 0.2(3) ?
    Zn1 N4 C7 C2 . . . . -173.11(16) ?
    C9 N3 C8 C4 5_655 . . 5_655 0.6(3) ?
    Zn2 N3 C8 C4 . . . 5_655 177.79(17) ?
    C4 N1 C9 N3 . . . 6_564 0.7(3) ?
    Zn1 N1 C9 N3 . . . 6_564 176.01(14) ?
    C4 N1 C9 C12 . . . . -177.1(2) ?
    Zn1 N1 C9 C12 . . . . -1.7(3) ?
    C15 N9 C11 C3 . . . 5 -161.6(2) ?
    C13 N9 C11 C3 . . . 5 78.2(2) ?
    Zn2 N9 C11 C3 . . . 5 -35.8(2) ?
    C18 N7 C12 C9 . . . . 169.90(19) ?
    C10 N7 C12 C9 . . . . -69.7(2) ?
    N3 C9 C12 N7 6_564 . . . 145.6(2) ?
    N1 C9 C12 N7 . . . . -36.9(3) ?
    C3 N5 C16 C6 . . . 6_554 0.7(3) ?
    Zn1 N5 C16 C6 . . . 6_554 174.34(17) ?
    O3 N10 O1 O5 . . . . 147.6(5) ?
    O4 N10 O1 O5 . . . . -175.8(6) ?
    O6 N10 O1 O5 . . . . -34(2) ?
    O2 N10 O1 O5 . . . . -22.2(6) ?
    O3 N10 O1 O4 . . . . -36.6(6) ?
    O5 N10 O1 O4 . . . . 175.8(6) ?
    O6 N10 O1 O4 . . . . 142(2) ?
    O2 N10 O1 O4 . . . . 153.6(6) ?
    O3 N10 O1 Zn1 . . . . -170.8(3) ?
    O5 N10 O1 Zn1 . . . . 41.6(4) ?
    O4 N10 O1 Zn1 . . . . -134.2(5) ?
    O6 N10 O1 Zn1 . . . . 8(2) ?
    O2 N10 O1 Zn1 . . . . 19.4(6) ?
    N5 Zn1 O1 O5 . . . . -52.8(4) ?
    N4 Zn1 O1 O5 . . . . 78.7(4) ?
    N1 Zn1 O1 O5 . . . . -172.5(4) ?
    N5 Zn1 O1 N10 . . . . -93.2(3) ?
    N4 Zn1 O1 N10 . . . . 38.4(4) ?
    N1 Zn1 O1 N10 . . . . 147.1(4) ?
    O5 Zn1 O1 N10 . . . . -40.4(4) ?
    N5 Zn1 O1 O4 . . . . -159.2(5) ?
    N4 Zn1 O1 O4 . . . . -27.6(6) ?
    N1 Zn1 O1 O4 . . . . 81.1(5) ?
    O5 Zn1 O1 O4 . . . . -106.4(7) ?
    O3 N10 O2 O6 . . . . 12.4(7) ?
    O5 N10 O2 O6 . . . . 165.4(7) ?
    O4 N10 O2 O6 . . . . -65.9(12) ?
    O1 N10 O2 O6 . . . . -177.1(6) ?
    O3 N10 O2 O5 . . . . -153.0(4) ?
    O4 N10 O2 O5 . . . . 128.7(11) ?
    O6 N10 O2 O5 . . . . -165.4(7) ?
    O1 N10 O2 O5 . . . . 17.6(4) ?
    O5 N10 O3 O4 . . . . 107.0(11) ?
    O6 N10 O3 O4 . . . . -138.9(6) ?
    O1 N10 O3 O4 . . . . 40.8(6) ?
    O2 N10 O3 O4 . . . . -149.2(6) ?
    O5 N10 O3 O6 . . . . -114.0(11) ?
    O4 N10 O3 O6 . . . . 138.9(6) ?
    O1 N10 O3 O6 . . . . 179.7(5) ?
    O2 N10 O3 O6 . . . . -10.3(6) ?
    O5 N10 O4 O3 . . . . -149.5(5) ?
    O6 N10 O4 O3 . . . . 42.0(7) ?
    O1 N10 O4 O3 . . . . -145.7(5) ?
    O2 N10 O4 O3 . . . . 92.9(11) ?
    O3 N10 O4 O1 . . . . 145.7(5) ?
    O5 N10 O4 O1 . . . . -3.8(6) ?
    O6 N10 O4 O1 . . . . -172.3(6) ?
    O2 N10 O4 O1 . . . . -121.4(10) ?
    O6 O3 O4 N10 . . . . -34.8(4) ?
    N10 O3 O4 O1 . . . . -28.0(4) ?
    O6 O3 O4 O1 . . . . -62.7(7) ?
    O5 O1 O4 N10 . . . . 4.2(6) ?
    Zn1 O1 O4 N10 . . . . 92.1(6) ?
    O5 O1 O4 O3 . . . . 34.3(9) ?
    N10 O1 O4 O3 . . . . 30.1(4) ?
    Zn1 O1 O4 O3 . . . . 122.2(6) ?
    O4 O1 O5 N10 . . . . -3.7(6) ?
    Zn1 O1 O5 N10 . . . . -141.3(3) ?
    N10 O1 O5 O2 . . . . 18.7(4) ?
    O4 O1 O5 O2 . . . . 15.0(8) ?
    Zn1 O1 O5 O2 . . . . -122.6(5) ?
    N10 O1 O5 Zn1 . . . . 141.3(3) ?
    O4 O1 O5 Zn1 . . . . 137.5(5) ?
    O3 N10 O5 O1 . . . . -86.3(10) ?
    O4 N10 O5 O1 . . . . 4.8(7) ?
    O6 N10 O5 O1 . . . . 172.7(6) ?
    O2 N10 O5 O1 . . . . 159.6(5) ?
    O3 N10 O5 O2 . . . . 114.2(10) ?
    O4 N10 O5 O2 . . . . -154.8(7) ?
    O6 N10 O5 O2 . . . . 13.1(6) ?
    O1 N10 O5 O2 . . . . -159.6(5) ?
    O3 N10 O5 Zn1 . . . . -143.2(8) ?
    O4 N10 O5 Zn1 . . . . -52.1(9) ?
    O6 N10 O5 Zn1 . . . . 115.8(7) ?
    O1 N10 O5 Zn1 . . . . -56.9(5) ?
    O2 N10 O5 Zn1 . . . . 102.7(6) ?
    O6 O2 O5 O1 . . . . -35.7(10) ?
    N10 O2 O5 O1 . . . . -21.1(5) ?
    O6 O2 O5 N10 . . . . -14.7(7) ?
    O6 O2 O5 Zn1 . . . . -136.5(7) ?
    N10 O2 O5 Zn1 . . . . -121.9(4) ?
    N5 Zn1 O5 O1 . . . . 129.3(4) ?
    N4 Zn1 O5 O1 . . . . -110.3(4) ?
    N1 Zn1 O5 O1 . . . . 7.9(5) ?
    N5 Zn1 O5 N10 . . . . 179.5(6) ?
    N4 Zn1 O5 N10 . . . . -60.0(6) ?
    N1 Zn1 O5 N10 . . . . 58.2(7) ?
    O1 Zn1 O5 N10 . . . . 50.3(5) ?
    N5 Zn1 O5 O2 . . . . -111.8(5) ?
    N4 Zn1 O5 O2 . . . . 8.7(5) ?
    N1 Zn1 O5 O2 . . . . 126.9(4) ?
    O1 Zn1 O5 O2 . . . . 118.9(6) ?
    O5 O2 O6 N10 . . . . 13.0(6) ?
    N10 O2 O6 O3 . . . . -11.5(6) ?
    O5 O2 O6 O3 . . . . 1.5(12) ?
    O3 N10 O6 O2 . . . . -168.0(7) ?
    O5 N10 O6 O2 . . . . -16.3(8) ?
    O4 N10 O6 O2 . . . . 152.5(7) ?
    O1 N10 O6 O2 . . . . 13(2) ?
    O5 N10 O6 O3 . . . . 151.7(5) ?
    O4 N10 O6 O3 . . . . -39.5(6) ?
    O1 N10 O6 O3 . . . .  -18E1(7)
                                  ?
    O2 N10 O6 O3 . . . . 168.0(7) ?
    N10 O3 O6 O2 . . . . 12.7(7) ?
    O4 O3 O6 O2 . . . . 48.8(10) ?
    O4 O3 O6 N10 . . . . 36.1(5) ?
