##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section C. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica 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.                                       #
#                                                                            #
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1588301'
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_journal_date_recd_electronic     2017-08-26
_journal_date_accepted     2017-11-29
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2018
_journal_volume     74
_journal_issue      1
_journal_page_first     0
_journal_page_last     0
_journal_paper_category     FA
_journal_paper_doi     10.1107/S205322961701717X
_journal_coeditor_code     YF3128
loop_
    _publ_contact_author_name
    _publ_contact_author_address
    _publ_contact_author_email
    'Yaru Liu'
;
School of Science
North University of China
Taiyuan
Shanxi 030051
People's Republic of China
;
 liuyaru326@163.com
    'Xiao Zhang'
;\
MIIT Key Laboratory of Critical Materials Technology for New Energy \
Conversion and Storage
School of Chemistry and Chemical Engineering
Harbin Institute of Technology
Harbin 150080
People's Republic of China
;
 zhangx@hit.edu.cn
_publ_contact_author_fax     ?
_publ_section_title
;
Two zinc(II) coordination complexes based on an asymmetric multidentate ligand:
syntheses, structures, selective fluorescence sensing of iron(III) ions and
thermal analyses
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Liu, Yaru' .
;
School of Science
North University of China
Taiyuan
Shanxi 030051
People's Republic of China
;
    'Liu, Lan' .
;
School of Science
North University of China
Taiyuan
Shanxi 030051
People's Republic of China
;
    'Zhang, Xiao' .
;\
MIIT Key Laboratory of Critical Materials Technology for New Energy \
Conversion and Storage
School of Chemistry and Chemical Engineering
Harbin Institute of Technology
Harbin 150080
People's Republic of China
;
    'Liang, Guorui' .
;
School of Science
North University of China
Taiyuan
Shanxi 030051
People's Republic of China
;
    'Gong, Xuebing' .
;
School of Science
North University of China
Taiyuan
Shanxi 030051
People's Republic of China
;
_publ_section_synopsis
;
Two new ZnII coordination complexes with an asymmetric multidentate ligand
1-(1H-benzotriazol-1-ylmethyl)-2-propyl-1H-imidazole have been
synthesized and structurally characterized by single-crystal X-ray
diffraction. The complexes were investigated by fluorescence and thermal
analyses.
;
_chemical_name_systematic
;\
Bis(acetato-κO)bis[1-(1H-benzotriazol-1-ylmethyl)-2-propyl-\
1H-imidazole-κN³]zinc(II) monohydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C30 H36 N10 O4 Zn, H2 O'
_chemical_formula_sum     'C30 H38 N10 O5 Zn'
_chemical_formula_iupac     '[Zn (C13 H15 N5)2 (C2 H3 O2)2], H2 O'
_chemical_formula_weight     684.07
_chemical_melting_point     ?
_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.
;
_space_group_crystal_system     triclinic
_space_group_name_H-M_alt     'P -1'
_space_group_name_Hall     '-P 1'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     8.7481(3)
_cell_length_b     11.9399(4)
_cell_length_c     16.4168(7)
_cell_angle_alpha     84.921(3)
_cell_angle_beta     88.623(3)
_cell_angle_gamma     71.161(3)
_cell_volume     1616.52(10)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     7610
_cell_measurement_theta_min     4.9530
_cell_measurement_theta_max     70.5130
_cell_measurement_temperature     293(2)
_exptl_crystal_description     ' '
_exptl_crystal_colour     ' '
_exptl_crystal_size_max     0.27
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.14
_exptl_crystal_density_diffrn     1.405
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     716
_exptl_absorpt_coefficient_mu     1.517
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2013)
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
_exptl_absorpt_correction_T_min     0.60835
_exptl_absorpt_correction_T_max     1.00000
_exptl_special_details     ?
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator     mirror
_diffrn_measurement_device_type
             'Agilent SuperNova Dual Source diffractometer with an Eos detector'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     15.9737
_diffrn_reflns_number     11919
_diffrn_reflns_av_R_equivalents     0.0185
_diffrn_reflns_theta_min     4.956
_diffrn_reflns_theta_max     67.070
_diffrn_reflns_theta_full     67.070
_diffrn_measured_fraction_theta_max     0.981
_diffrn_measured_fraction_theta_full     0.981
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -19
_diffrn_reflns_limit_l_max     17
_refine_special_details     ?
_reflns_number_total     5664
_reflns_number_gt     5308
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0331
_refine_ls_R_factor_gt     0.0312
_refine_ls_wR_factor_gt     0.0835
_refine_ls_wR_factor_ref     0.0849
_refine_ls_goodness_of_fit_ref     1.024
_refine_ls_restrained_S_all     1.024
_refine_ls_number_reflns     5664
_refine_ls_number_parameters     428
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0444P)²+0.4511P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.002
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.286
_refine_diff_density_min     -0.289
_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' 0.0181 0.0091
                         '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' 0.0311 0.0180
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0492 0.0322
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Zn' 'Zn' -1.5491 0.6778
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2013)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2013)
;
_computing_structure_solution
;
CrysAlis PRO (Agilent, 2013)
;
_computing_structure_refinement
;
SHELXL2013 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (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 1.02757(3) -0.00682(2) 0.25322(2) 0.03908(9) Uani d 1 . .
    O O1 0.95723(16) -0.14326(11) 0.28933(8) 0.0500(3) Uani d 1 . .
    O O2 1.0568(2) -0.21872(14) 0.17489(9) 0.0740(4) Uani d 1 . .
    O O3 1.25782(16) -0.04755(14) 0.22652(8) 0.0583(3) Uani d 1 . .
    O O4 1.3228(2) -0.0966(2) 0.35545(11) 0.0970(7) Uani d 1 . .
    N N1 0.93810(16) 0.08175(11) 0.14324(8) 0.0384(3) Uani d 1 . .
    N N2 0.81844(17) 0.12726(12) 0.02321(8) 0.0417(3) Uani d 1 . .
    N N3 0.5575(2) 0.21495(14) -0.04498(10) 0.0517(4) Uani d 1 . .
    N N4 0.4274(2) 0.18206(18) -0.02071(12) 0.0676(5) Uani d 1 . .
    N N5 0.2985(2) 0.2753(2) -0.02800(14) 0.0766(6) Uani d 1 . .
    N N6 0.95185(16) 0.08900(12) 0.35073(8) 0.0393(3) Uani d 1 . .
    N N7 0.94527(17) 0.19330(12) 0.45456(8) 0.0428(3) Uani d 1 . .
    N N8 0.8640(2) 0.38876(13) 0.50373(9) 0.0491(4) Uani d 1 . .
    N N9 0.8794(2) 0.47218(16) 0.44502(11) 0.0613(4) Uani d 1 . .
    N N10 0.7687(2) 0.57207(16) 0.45548(13) 0.0686(5) Uani d 1 . .
    C C1 0.5775(3) 0.1504(3) 0.24849(15) 0.0760(7) Uani d 1 . .
    H H1A 0.664124 0.183514 0.243072 0.114 Uiso calc 1 . .
    H H1B 0.608344 0.081100 0.286584 0.114 Uiso calc 1 . .
    H H1C 0.482889 0.208163 0.268077 0.114 Uiso calc 1 . .
    C C2 0.5420(2) 0.11704(19) 0.16708(12) 0.0547(5) Uani d 1 . .
    H H2A 0.507146 0.188045 0.129546 0.066 Uiso calc 1 . .
    H H2B 0.453544 0.084629 0.172987 0.066 Uiso calc 1 . .
    C C3 0.6874(2) 0.02579(16) 0.13014(12) 0.0486(4) Uani d 1 . .
    H H3A 0.733707 -0.039366 0.171231 0.058 Uiso calc 1 . .
    H H3B 0.650328 -0.006163 0.085035 0.058 Uiso calc 1 . .
    C C4 0.8147(2) 0.07605(13) 0.10024(10) 0.0381(3) Uani d 1 . .
    C C5 1.0226(2) 0.13863(15) 0.09145(11) 0.0428(4) Uani d 1 . .
    H H5 1.115022 0.154878 0.105735 0.051 Uiso calc 1 . .
    C C6 0.9511(2) 0.16673(15) 0.01766(11) 0.0461(4) Uani d 1 . .
    H H6 0.983973 0.204936 -0.027930 0.055 Uiso calc 1 . .
    C C7 0.7167(2) 0.12707(17) -0.04604(11) 0.0537(5) Uani d 1 . .
    H H7A 0.770353 0.141581 -0.096339 0.064 Uiso calc 1 . .
    H H7B 0.705049 0.048980 -0.046061 0.064 Uiso calc 1 . .
    C C8 0.5097(2) 0.33359(17) -0.07007(11) 0.0511(4) Uani d 1 . .
    C C9 0.5916(3) 0.40954(19) -0.10200(13) 0.0614(5) Uani d 1 . .
    H H9 0.702674 0.383535 -0.110254 0.074 Uiso calc 1 . .
    C C10 0.4980(3) 0.5257(2) -0.12063(16) 0.0752(7) Uani d 1 . .
    H H10 0.547747 0.579720 -0.142206 0.090 Uiso calc 1 . .
    C C11 0.3329(4) 0.5653(2) -0.10856(17) 0.0812(7) Uani d 1 . .
    H H11 0.275452 0.644977 -0.121873 0.097 Uiso calc 1 . .
    C C12 0.2524(3) 0.4914(2) -0.07792(17) 0.0807(8) Uani d 1 . .
    H H12 0.141257 0.518782 -0.070160 0.097 Uiso calc 1 . .
    C C13 0.3439(3) 0.3710(2) -0.05816(13) 0.0617(5) Uani d 1 . .
    C C14 1.1475(3) 0.3641(2) 0.21491(15) 0.0709(6) Uani d 1 . .
    H H14A 1.088347 0.428639 0.177022 0.106 Uiso calc 1 . .
    H H14B 1.214284 0.300401 0.185270 0.106 Uiso calc 1 . .
    H H14C 1.214075 0.390765 0.249010 0.106 Uiso calc 1 . .
    C C15 1.0301(3) 0.32062(18) 0.26768(13) 0.0569(5) Uani d 1 . .
    H H15A 0.966668 0.290042 0.233392 0.068 Uiso calc 1 . .
    H H15B 0.956711 0.386722 0.293940 0.068 Uiso calc 1 . .
    C C16 1.1186(2) 0.22276(17) 0.33334(12) 0.0511(4) Uani d 1 . .
    H H16A 1.201570 0.161469 0.307428 0.061 Uiso calc 1 . .
    H H16B 1.171332 0.256238 0.371417 0.061 Uiso calc 1 . .
    C C17 1.0083(2) 0.16814(14) 0.37936(10) 0.0405(3) Uani d 1 . .
    C C18 0.8495(2) 0.06328(15) 0.40943(10) 0.0417(4) Uani d 1 . .
    H H18 0.792747 0.010252 0.405226 0.050 Uiso calc 1 . .
    C C19 0.8449(2) 0.12661(15) 0.47331(10) 0.0447(4) Uani d 1 . .
    H H19 0.785483 0.125739 0.520979 0.054 Uiso calc 1 . .
    C C20 0.9816(2) 0.27071(16) 0.50929(12) 0.0536(5) Uani d 1 . .
    H H20A 0.985075 0.235556 0.565078 0.064 Uiso calc 1 . .
    H H20B 1.087553 0.276719 0.496311 0.064 Uiso calc 1 . .
    C C21 0.7390(2) 0.43804(16) 0.55381(11) 0.0475(4) Uani d 1 . .
    C C22 0.6787(3) 0.55602(17) 0.52184(14) 0.0575(5) Uani d 1 . .
    C C23 0.5467(3) 0.6358(2) 0.5584(2) 0.0803(8) Uani d 1 . .
    H H23 0.505844 0.714934 0.537855 0.096 Uiso calc 1 . .
    C C24 0.4807(3) 0.5938(3) 0.6245(2) 0.0887(9) Uani d 1 . .
    H H24 0.392401 0.644827 0.649675 0.106 Uiso calc 1 . .
    C C25 0.5424(3) 0.4749(3) 0.65591(16) 0.0820(7) Uani d 1 . .
    H H25 0.493501 0.449617 0.701608 0.098 Uiso calc 1 . .
    C C26 0.6724(3) 0.3939(2) 0.62204(13) 0.0643(5) Uani d 1 . .
    H H26 0.712850 0.315125 0.643269 0.077 Uiso calc 1 . .
    C C27 0.9908(2) -0.22528(15) 0.24068(10) 0.0427(4) Uani d 1 . .
    C C28 0.9446(3) -0.33296(17) 0.26824(15) 0.0616(5) Uani d 1 . .
    H H28A 1.039652 -0.397358 0.285411 0.092 Uiso calc 1 . .
    H H28B 0.893957 -0.354933 0.223826 0.092 Uiso calc 1 . .
    H H28C 0.870777 -0.315607 0.313140 0.092 Uiso calc 1 . .
    C C29 1.3552(2) -0.10071(17) 0.28346(13) 0.0540(5) Uani d 1 . .
    C C30 1.5235(3) -0.1721(2) 0.2597(2) 0.0843(8) Uani d 1 . .
    H H30A 1.537643 -0.255254 0.270081 0.126 Uiso calc 1 . .
    H H30B 1.600717 -0.152308 0.291165 0.126 Uiso calc 1 . .
    H H30C 1.539411 -0.154303 0.202526 0.126 Uiso calc 1 . .
    O O1WA 0.6070(7) -0.1409(6) 0.4459(4) 0.131(2) Uani d 0.5 A 1
    H H1WA 0.516878 -0.107067 0.421676 0.196 Uiso d 0.5 A 1
    H H1WB 0.682098 -0.126907 0.417275 0.196 Uiso d 0.5 A 1
    O O1WB 0.5611(12) -0.0619(8) 0.4788(7) 0.221(5) Uani d 0.5 B 2
    H H1WC 0.461603 -0.039164 0.465847 0.331 Uiso d 0.5 B 2
    H H1WD 0.585933 -0.003344 0.493237 0.331 Uiso d 0.5 B 2
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Zn1 O1 . 1.9603(12) y
    Zn1 O3 . 1.9617(13) y
    Zn1 N1 . 2.0460(13) y
    Zn1 N6 . 2.0234(13) y
    O1 C27 . 1.275(2) ?
    O2 C27 . 1.221(2) ?
    O3 C29 . 1.259(2) ?
    O4 C29 . 1.210(3) ?
    N1 C4 . 1.327(2) ?
    N1 C5 . 1.386(2) ?
    N2 C4 . 1.359(2) ?
    N2 C6 . 1.385(2) ?
    N2 C7 . 1.461(2) ?
    N3 N4 . 1.360(2) ?
    N3 C7 . 1.448(2) ?
    N3 C8 . 1.369(2) ?
    N4 N5 . 1.303(3) ?
    N5 C13 . 1.375(3) ?
    N6 C17 . 1.323(2) ?
    N6 C18 . 1.381(2) ?
    N7 C17 . 1.358(2) ?
    N7 C19 . 1.377(2) ?
    N7 C20 . 1.453(2) ?
    N8 N9 . 1.360(2) ?
    N8 C20 . 1.448(2) ?
    N8 C21 . 1.358(2) ?
    N9 N10 . 1.293(3) ?
    N10 C22 . 1.365(3) ?
    C1 H1A . 0.9600 ?
    C1 H1B . 0.9600 ?
    C1 H1C . 0.9600 ?
    C1 C2 . 1.495(3) ?
    C2 H2A . 0.9700 ?
    C2 H2B . 0.9700 ?
    C2 C3 . 1.536(3) ?
    C3 H3A . 0.9700 ?
    C3 H3B . 0.9700 ?
    C3 C4 . 1.481(2) ?
    C5 H5 . 0.9300 ?
    C5 C6 . 1.342(3) ?
    C6 H6 . 0.9300 ?
    C7 H7A . 0.9700 ?
    C7 H7B . 0.9700 ?
    C8 C9 . 1.388(3) ?
    C8 C13 . 1.388(3) ?
    C9 H9 . 0.9300 ?
    C9 C10 . 1.375(3) ?
    C10 H10 . 0.9300 ?
    C10 C11 . 1.382(4) ?
    C11 H11 . 0.9300 ?
    C11 C12 . 1.354(4) ?
    C12 H12 . 0.9300 ?
    C12 C13 . 1.414(3) ?
    C14 H14A . 0.9600 ?
    C14 H14B . 0.9600 ?
    C14 H14C . 0.9600 ?
    C14 C15 . 1.515(3) ?
    C15 H15A . 0.9700 ?
    C15 H15B . 0.9700 ?
    C15 C16 . 1.536(3) ?
    C16 H16A . 0.9700 ?
    C16 H16B . 0.9700 ?
    C16 C17 . 1.487(2) ?
    C18 H18 . 0.9300 ?
    C18 C19 . 1.339(2) ?
    C19 H19 . 0.9300 ?
    C20 H20A . 0.9700 ?
    C20 H20B . 0.9700 ?
    C21 C22 . 1.393(3) ?
    C21 C26 . 1.391(3) ?
    C22 C23 . 1.400(3) ?
    C23 H23 . 0.9300 ?
    C23 C24 . 1.350(4) ?
    C24 H24 . 0.9300 ?
    C24 C25 . 1.401(4) ?
    C25 H25 . 0.9300 ?
    C25 C26 . 1.375(3) ?
    C26 H26 . 0.9300 ?
    C27 C28 . 1.498(3) ?
    C28 H28A . 0.9600 ?
    C28 H28B . 0.9600 ?
    C28 H28C . 0.9600 ?
    C29 C30 . 1.506(3) ?
    C30 H30A . 0.9600 ?
    C30 H30B . 0.9600 ?
    C30 H30C . 0.9600 ?
    O1WA H1WA . 0.8503 ?
    O1WA H1WB . 0.8498 ?
    O1WB O1WB 2_656 1.714(17) ?
    O1WB H1WC . 0.8502 ?
    O1WB H1WD . 0.8497 ?
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 . . 114.54(6) y
    O1 Zn1 N1 . . 116.32(6) y
    O1 Zn1 N6 . . 98.55(5) y
    O3 Zn1 N1 . . 97.61(6) y
    O3 Zn1 N6 . . 116.53(6) y
    N6 Zn1 N1 . . 114.42(5) y
    C27 O1 Zn1 . . 115.14(11) ?
    C29 O3 Zn1 . . 116.15(12) ?
    C4 N1 Zn1 . . 128.79(11) ?
    C4 N1 C5 . . 106.58(13) ?
    C5 N1 Zn1 . . 123.15(11) ?
    C4 N2 C6 . . 108.02(14) ?
    C4 N2 C7 . . 127.03(16) ?
    C6 N2 C7 . . 124.43(15) ?
    N4 N3 C7 . . 120.28(17) ?
    N4 N3 C8 . . 110.13(16) ?
    C8 N3 C7 . . 129.48(18) ?
    N5 N4 N3 . . 108.71(18) ?
    N4 N5 C13 . . 108.27(19) ?
    C17 N6 Zn1 . . 128.88(11) ?
    C17 N6 C18 . . 106.94(14) ?
    C18 N6 Zn1 . . 123.04(11) ?
    C17 N7 C19 . . 107.84(14) ?
    C17 N7 C20 . . 127.45(16) ?
    C19 N7 C20 . . 124.62(15) ?
    N9 N8 C20 . . 119.81(17) ?
    C21 N8 N9 . . 109.92(16) ?
    C21 N8 C20 . . 130.03(16) ?
    N10 N9 N8 . . 108.86(17) ?
    N9 N10 C22 . . 108.55(17) ?
    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 ?
    C1 C2 H2A . . 108.9 ?
    C1 C2 H2B . . 108.9 ?
    C1 C2 C3 . . 113.31(17) ?
    H2A C2 H2B . . 107.7 ?
    C3 C2 H2A . . 108.9 ?
    C3 C2 H2B . . 108.9 ?
    C2 C3 H3A . . 108.9 ?
    C2 C3 H3B . . 108.9 ?
    H3A C3 H3B . . 107.7 ?
    C4 C3 C2 . . 113.28(15) ?
    C4 C3 H3A . . 108.9 ?
    C4 C3 H3B . . 108.9 ?
    N1 C4 N2 . . 109.54(14) ?
    N1 C4 C3 . . 126.56(15) ?
    N2 C4 C3 . . 123.88(16) ?
    N1 C5 H5 . . 125.1 ?
    C6 C5 N1 . . 109.85(15) ?
    C6 C5 H5 . . 125.1 ?
    N2 C6 H6 . . 127.0 ?
    C5 C6 N2 . . 106.01(15) ?
    C5 C6 H6 . . 127.0 ?
    N2 C7 H7A . . 108.8 ?
    N2 C7 H7B . . 108.8 ?
    N3 C7 N2 . . 113.63(15) ?
    N3 C7 H7A . . 108.8 ?
    N3 C7 H7B . . 108.8 ?
    H7A C7 H7B . . 107.7 ?
    N3 C8 C9 . . 133.38(19) ?
    N3 C8 C13 . . 103.87(19) ?
    C13 C8 C9 . . 122.74(19) ?
    C8 C9 H9 . . 122.1 ?
    C10 C9 C8 . . 115.7(2) ?
    C10 C9 H9 . . 122.1 ?
    C9 C10 H10 . . 118.7 ?
    C9 C10 C11 . . 122.6(3) ?
    C11 C10 H10 . . 118.7 ?
    C10 C11 H11 . . 119.1 ?
    C12 C11 C10 . . 121.9(2) ?
    C12 C11 H11 . . 119.1 ?
    C11 C12 H12 . . 121.3 ?
    C11 C12 C13 . . 117.4(2) ?
    C13 C12 H12 . . 121.3 ?
    N5 C13 C8 . . 109.01(19) ?
    N5 C13 C12 . . 131.4(2) ?
    C8 C13 C12 . . 119.6(2) ?
    H14A C14 H14B . . 109.5 ?
    H14A C14 H14C . . 109.5 ?
    H14B C14 H14C . . 109.5 ?
    C15 C14 H14A . . 109.5 ?
    C15 C14 H14B . . 109.5 ?
    C15 C14 H14C . . 109.5 ?
    C14 C15 H15A . . 109.3 ?
    C14 C15 H15B . . 109.3 ?
    C14 C15 C16 . . 111.55(18) ?
    H15A C15 H15B . . 108.0 ?
    C16 C15 H15A . . 109.3 ?
    C16 C15 H15B . . 109.3 ?
    C15 C16 H16A . . 109.1 ?
    C15 C16 H16B . . 109.1 ?
    H16A C16 H16B . . 107.8 ?
    C17 C16 C15 . . 112.67(16) ?
    C17 C16 H16A . . 109.1 ?
    C17 C16 H16B . . 109.1 ?
    N6 C17 N7 . . 109.36(14) ?
    N6 C17 C16 . . 124.08(15) ?
    N7 C17 C16 . . 126.52(16) ?
    N6 C18 H18 . . 125.3 ?
    C19 C18 N6 . . 109.36(15) ?
    C19 C18 H18 . . 125.3 ?
    N7 C19 H19 . . 126.8 ?
    C18 C19 N7 . . 106.49(15) ?
    C18 C19 H19 . . 126.8 ?
    N7 C20 H20A . . 109.0 ?
    N7 C20 H20B . . 109.0 ?
    N8 C20 N7 . . 112.73(15) ?
    N8 C20 H20A . . 109.0 ?
    N8 C20 H20B . . 109.0 ?
    H20A C20 H20B . . 107.8 ?
    N8 C21 C22 . . 103.92(17) ?
    N8 C21 C26 . . 133.60(19) ?
    C26 C21 C22 . . 122.5(2) ?
    N10 C22 C21 . . 108.75(18) ?
    N10 C22 C23 . . 130.9(2) ?
    C21 C22 C23 . . 120.4(2) ?
    C22 C23 H23 . . 121.2 ?
    C24 C23 C22 . . 117.6(2) ?
    C24 C23 H23 . . 121.2 ?
    C23 C24 H24 . . 119.3 ?
    C23 C24 C25 . . 121.4(2) ?
    C25 C24 H24 . . 119.3 ?
    C24 C25 H25 . . 118.6 ?
    C26 C25 C24 . . 122.8(3) ?
    C26 C25 H25 . . 118.6 ?
    C21 C26 H26 . . 122.3 ?
    C25 C26 C21 . . 115.4(2) ?
    C25 C26 H26 . . 122.3 ?
    O1 C27 C28 . . 116.36(16) ?
    O2 C27 O1 . . 123.09(17) ?
    O2 C27 C28 . . 120.55(18) ?
    C27 C28 H28A . . 109.5 ?
    C27 C28 H28B . . 109.5 ?
    C27 C28 H28C . . 109.5 ?
    H28A C28 H28B . . 109.5 ?
    H28A C28 H28C . . 109.5 ?
    H28B C28 H28C . . 109.5 ?
    O3 C29 C30 . . 117.3(2) ?
    O4 C29 O3 . . 124.3(2) ?
    O4 C29 C30 . . 118.4(2) ?
    C29 C30 H30A . . 109.5 ?
    C29 C30 H30B . . 109.5 ?
    C29 C30 H30C . . 109.5 ?
    H30A C30 H30B . . 109.5 ?
    H30A C30 H30C . . 109.5 ?
    H30B C30 H30C . . 109.5 ?
    H1WA O1WA H1WB . . 109.5 ?
    O1WB O1WB H1WC 2_656 . 63.3 ?
    O1WB O1WB H1WD 2_656 . 51.8 ?
    H1WC O1WB H1WD . . 109.5 ?
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
    O1WA H1WA O4 1_455 0.85 2.00 2.802(6) 156 y
    O1WB H1WD O1WA 2_656 0.85 2.27 2.774(11) 118 y
    O1WB H1WC O4 2_756 0.85 2.47 3.782(11) 130 y
data_2
_database_code_depnum_ccdc_archive 'CCDC 1588302'
_audit_creation_method
;
Olex2 1.2
(compiled 2013.11.15 svn.r2834 for OlexSys, GUI svn.r4720)
;
_chemical_name_systematic
;\
Bis(azido-κN¹)bis[1-(1H-benzotriazol-1-ylmethyl)-2-propyl-\
1H-imidazole-κN³]zinc(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C26 H30 N16 Zn'
_chemical_formula_sum     'C26 H30 N16 Zn'
_chemical_formula_iupac     '[Zn (C13 H15 N5)2 (N3)2]'
_chemical_formula_weight     632.03
_chemical_melting_point     ?
_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.
;
_space_group_crystal_system     triclinic
_space_group_name_H-M_alt     'P -1'
_space_group_name_Hall     '-P 1'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     7.0870(3)
_cell_length_b     13.7109(7)
_cell_length_c     15.2483(8)
_cell_angle_alpha     84.360(4)
_cell_angle_beta     83.990(4)
_cell_angle_gamma     82.531(4)
_cell_volume     1455.62(12)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     5404
_cell_measurement_theta_min     4.1910
_cell_measurement_theta_max     70.5130
_cell_measurement_temperature     293(2)
_exptl_crystal_description     ' '
_exptl_crystal_colour     ' '
_exptl_crystal_size_max     0.160
_exptl_crystal_size_mid     0.140
_exptl_crystal_size_min     0.070
_exptl_crystal_density_diffrn     1.442
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     656
_exptl_absorpt_coefficient_mu     1.568
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2013)
;
_shelx_estimated_absorpt_T_min     0.787
_shelx_estimated_absorpt_T_max     0.898
_exptl_absorpt_correction_T_min     0.75552
_exptl_absorpt_correction_T_max     1.00000
_exptl_special_details     ?
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator     mirror
_diffrn_measurement_device_type
             'Agilent SuperNova Dual Source diffractometer with an Eos detector'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     15.9737
_diffrn_reflns_number     10761
_diffrn_reflns_av_R_equivalents     0.0176
_diffrn_reflns_theta_min     3.263
_diffrn_reflns_theta_max     70.813
_diffrn_reflns_theta_full     67.684
_diffrn_measured_fraction_theta_max     0.974
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -8
_diffrn_reflns_limit_h_max     6
_diffrn_reflns_limit_k_min     -16
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -18
_diffrn_reflns_limit_l_max     18
_refine_special_details     ?
_reflns_number_total     5469
_reflns_number_gt     4707
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0403
_refine_ls_R_factor_gt     0.0333
_refine_ls_wR_factor_gt     0.0877
_refine_ls_wR_factor_ref     0.0932
_refine_ls_goodness_of_fit_ref     1.028
_refine_ls_restrained_S_all     1.028
_refine_ls_number_reflns     5469
_refine_ls_number_parameters     390
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
;
w=1/[σ²(Fo²)+(0.0471P)²+0.3428P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.332
_refine_diff_density_min     -0.318
_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' 0.0181 0.0091
                         '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' 0.0311 0.0180
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Zn' 'Zn' -1.5491 0.6778
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2013)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2013)
;
_computing_structure_solution
;
CrysAlis PRO (Agilent, 2013)
;
_computing_structure_refinement
;
SHELXL2013 (Sheldrick, 2008)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (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 0.70419(4) 0.53789(2) 0.20223(2) 0.04551(10) Uani d 1 . .
    N N1 1.1637(3) 1.00454(15) 0.11518(16) 0.0651(5) Uani d 1 . .
    N N2 1.1872(3) 0.91273(15) 0.14636(13) 0.0578(5) Uani d 1 . .
    N N3 1.2613(2) 0.85709(12) 0.07890(11) 0.0453(4) Uani d 1 . .
    N N4 1.1438(2) 0.69873(11) 0.09370(10) 0.0407(3) Uani d 1 . .
    N N5 0.8941(2) 0.62122(11) 0.13413(11) 0.0433(4) Uani d 1 . .
    N N6 1.3659(3) 0.10093(15) 0.41227(16) 0.0688(5) Uani d 1 . .
    N N7 1.2803(3) 0.11395(15) 0.34044(15) 0.0649(5) Uani d 1 . .
    N N8 1.0882(3) 0.12699(12) 0.36241(12) 0.0529(4) Uani d 1 . .
    N N9 0.9502(2) 0.24770(12) 0.25558(11) 0.0457(4) Uani d 1 . .
    N N10 0.8578(2) 0.40489(12) 0.22523(11) 0.0430(3) Uani d 1 . .
    N N11 0.5142(3) 0.51494(15) 0.12130(16) 0.0669(5) Uani d 1 . .
    N N12 0.4989(2) 0.43475(15) 0.10514(12) 0.0526(4) Uani d 1 . .
    N N13 0.4763(3) 0.35666(17) 0.08858(15) 0.0691(6) Uani d 1 . .
    N N14 0.5834(3) 0.60288(17) 0.30590(15) 0.0722(6) Uani d 1 . .
    N N15 0.5493(3) 0.68601(17) 0.30555(13) 0.0584(5) Uani d 1 . .
    N N16 0.5106(4) 0.7709(2) 0.3086(2) 0.0967(8) Uani d 1 . .
    C C1 1.2235(3) 1.01033(16) 0.02659(18) 0.0566(5) Uani d 1 . .
    C C2 1.2330(4) 1.09229(19) -0.0373(2) 0.0761(8) Uani d 1 . .
    H H2 1.1910 1.1562 -0.0226 0.091 Uiso calc 1 . .
    C C3 1.3051(4) 1.0742(2) -0.1205(2) 0.0840(9) Uani d 1 . .
    H H3 1.3137 1.1270 -0.1634 0.101 Uiso calc 1 . .
    C C4 1.3670(4) 0.9790(2) -0.14407(19) 0.0753(8) Uani d 1 . .
    H H4 1.4153 0.9701 -0.2022 0.090 Uiso calc 1 . .
    C C5 1.3590(3) 0.89772(19) -0.08402(16) 0.0579(5) Uani d 1 . .
    H H5 1.3999 0.8341 -0.1000 0.070 Uiso calc 1 . .
    C C6 1.2863(3) 0.91582(15) 0.00186(14) 0.0457(4) Uani d 1 . .
    C C7 1.3088(3) 0.75198(15) 0.09614(14) 0.0459(4) Uani d 1 . .
    H H7A 1.3569 0.7380 0.1539 0.055 Uiso calc 1 . .
    H H7B 1.4094 0.7287 0.0523 0.055 Uiso calc 1 . .
    C C8 1.0838(3) 0.67134(15) 0.01798(13) 0.0479(4) Uani d 1 . .
    H H8 1.1388 0.6832 -0.0396 0.057 Uiso calc 1 . .
    C C9 0.9298(3) 0.62414(15) 0.04329(13) 0.0467(4) Uani d 1 . .
    H H9 0.8587 0.5977 0.0056 0.056 Uiso calc 1 . .
    C C10 1.0262(3) 0.66784(13) 0.16360(12) 0.0407(4) Uani d 1 . .
    C C11 1.0386(3) 0.68435(15) 0.25759(13) 0.0490(5) Uani d 1 . .
    H H11A 0.9166 0.7171 0.2809 0.059 Uiso calc 1 . .
    H H11B 1.1339 0.7286 0.2598 0.059 Uiso calc 1 . .
    C C12 1.0890(4) 0.59146(17) 0.31714(15) 0.0575(5) Uani d 1 . .
    H H12A 0.9946 0.5466 0.3154 0.069 Uiso calc 1 . .
    H H12B 1.2124 0.5589 0.2954 0.069 Uiso calc 1 . .
    C C13 1.0959(4) 0.6144(2) 0.41158(16) 0.0714(7) Uani d 1 . .
    H H13A 1.1925 0.6568 0.4138 0.107 Uiso calc 1 . .
    H H13B 1.1255 0.5541 0.4478 0.107 Uiso calc 1 . .
    H H13C 0.9740 0.6468 0.4332 0.107 Uiso calc 1 . .
    C C14 1.2288(3) 0.10467(15) 0.48389(17) 0.0562(5) Uani d 1 . .
    C C15 1.2477(4) 0.09222(17) 0.57507(18) 0.0679(7) Uani d 1 . .
    H H15 1.3670 0.0813 0.5969 0.081 Uiso calc 1 . .
    C C16 1.0838(5) 0.09684(17) 0.63000(18) 0.0701(7) Uani d 1 . .
    H H16 1.0915 0.0887 0.6908 0.084 Uiso calc 1 . .
    C C17 0.9036(4) 0.11353(16) 0.59767(17) 0.0660(7) Uani d 1 . .
    H H17 0.7952 0.1161 0.6378 0.079 Uiso calc 1 . .
    C C18 0.8816(3) 0.12623(15) 0.50887(16) 0.0565(5) Uani d 1 . .
    H H18 0.7615 0.1372 0.4878 0.068 Uiso calc 1 . .
    C C19 1.0491(3) 0.12171(13) 0.45204(15) 0.0496(5) Uani d 1 . .
    C C20 0.9620(4) 0.14498(15) 0.29246(15) 0.0556(5) Uani d 1 . .
    H H20A 0.8355 0.1296 0.3156 0.067 Uiso calc 1 . .
    H H20B 1.0089 0.1020 0.2460 0.067 Uiso calc 1 . .
    C C21 1.1010(3) 0.28671(16) 0.20563(14) 0.0529(5) Uani d 1 . .
    H H21 1.2193 0.2530 0.1880 0.063 Uiso calc 1 . .
    C C22 1.0427(3) 0.38280(15) 0.18773(14) 0.0484(5) Uani d 1 . .
    H H22 1.1155 0.4278 0.1550 0.058 Uiso calc 1 . .
    C C23 0.8043(3) 0.32145(14) 0.26582(13) 0.0428(4) Uani d 1 . .
    C C24 0.6169(3) 0.31379(17) 0.31750(15) 0.0546(5) Uani d 1 . .
    H H24A 0.5975 0.2448 0.3287 0.066 Uiso calc 1 . .
    H H24B 0.5161 0.3468 0.2830 0.066 Uiso calc 1 . .
    C C25 0.6036(4) 0.3592(2) 0.40479(17) 0.0713(7) Uani d 1 . .
    H H25A 0.6314 0.4270 0.3938 0.086 Uiso calc 1 . .
    H H25B 0.6991 0.3234 0.4409 0.086 Uiso calc 1 . .
    C C26 0.4072(6) 0.3574(3) 0.4551(2) 0.1116(13) Uani d 1 . .
    H H26A 0.3107 0.3818 0.4160 0.167 Uiso calc 1 . .
    H H26B 0.3961 0.3984 0.5034 0.167 Uiso calc 1 . .
    H H26C 0.3907 0.2909 0.4777 0.167 Uiso calc 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Zn1 N5 . 2.0171(15) y
    Zn1 N10 . 2.0177(16) y
    Zn1 N11 . 1.993(2) y
    Zn1 N14 . 1.955(2) y
    N1 N2 . 1.297(3) ?
    N1 C1 . 1.371(3) ?
    N2 N3 . 1.361(2) ?
    N3 C6 . 1.367(3) ?
    N3 C7 . 1.441(3) ?
    N4 C7 . 1.462(2) ?
    N4 C8 . 1.373(3) ?
    N4 C10 . 1.352(2) ?
    N5 C9 . 1.379(3) ?
    N5 C10 . 1.337(2) ?
    N6 N7 . 1.293(3) ?
    N6 C14 . 1.384(3) ?
    N7 N8 . 1.361(3) ?
    N8 C19 . 1.362(3) ?
    N8 C20 . 1.445(3) ?
    N9 C20 . 1.459(3) ?
    N9 C21 . 1.381(3) ?
    N9 C23 . 1.357(3) ?
    N10 C22 . 1.382(2) ?
    N10 C23 . 1.327(2) ?
    N11 N12 . 1.171(3) ?
    N12 N13 . 1.158(3) ?
    N14 N15 . 1.134(3) ?
    N15 N16 . 1.165(3) ?
    C1 C2 . 1.417(4) ?
    C1 C6 . 1.389(3) ?
    C2 H2 . 0.9300 ?
    C2 C3 . 1.351(5) ?
    C3 H3 . 0.9300 ?
    C3 C4 . 1.391(5) ?
    C4 H4 . 0.9300 ?
    C4 C5 . 1.374(3) ?
    C5 H5 . 0.9300 ?
    C5 C6 . 1.390(3) ?
    C7 H7A . 0.9700 ?
    C7 H7B . 0.9700 ?
    C8 H8 . 0.9300 ?
    C8 C9 . 1.343(3) ?
    C9 H9 . 0.9300 ?
    C10 C11 . 1.486(3) ?
    C11 H11A . 0.9700 ?
    C11 H11B . 0.9700 ?
    C11 C12 . 1.515(3) ?
    C12 H12A . 0.9700 ?
    C12 H12B . 0.9700 ?
    C12 C13 . 1.511(3) ?
    C13 H13A . 0.9600 ?
    C13 H13B . 0.9600 ?
    C13 H13C . 0.9600 ?
    C14 C15 . 1.402(4) ?
    C14 C19 . 1.393(3) ?
    C15 H15 . 0.9300 ?
    C15 C16 . 1.357(4) ?
    C16 H16 . 0.9300 ?
    C16 C17 . 1.400(4) ?
    C17 H17 . 0.9300 ?
    C17 C18 . 1.371(4) ?
    C18 H18 . 0.9300 ?
    C18 C19 . 1.393(3) ?
    C20 H20A . 0.9700 ?
    C20 H20B . 0.9700 ?
    C21 H21 . 0.9300 ?
    C21 C22 . 1.339(3) ?
    C22 H22 . 0.9300 ?
    C23 C24 . 1.482(3) ?
    C24 H24A . 0.9700 ?
    C24 H24B . 0.9700 ?
    C24 C25 . 1.513(3) ?
    C25 H25A . 0.9700 ?
    C25 H25B . 0.9700 ?
    C25 C26 . 1.519(4) ?
    C26 H26A . 0.9600 ?
    C26 H26B . 0.9600 ?
    C26 H26C . 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
    N5 Zn1 N10 . . 103.99(6) y
    N11 Zn1 N5 . . 108.56(8) y
    N11 Zn1 N10 . . 104.84(7) y
    N14 Zn1 N5 . . 109.95(8) y
    N14 Zn1 N10 . . 116.78(9) y
    N14 Zn1 N11 . . 112.14(10) y
    N2 N1 C1 . . 108.72(19) ?
    N1 N2 N3 . . 108.36(19) ?
    N2 N3 C6 . . 110.37(17) ?
    N2 N3 C7 . . 119.91(17) ?
    C6 N3 C7 . . 129.65(17) ?
    C8 N4 C7 . . 124.59(16) ?
    C10 N4 C7 . . 126.86(16) ?
    C10 N4 C8 . . 108.56(15) ?
    C9 N5 Zn1 . . 122.32(13) ?
    C10 N5 Zn1 . . 129.66(13) ?
    C10 N5 C9 . . 107.12(16) ?
    N7 N6 C14 . . 108.5(2) ?
    N6 N7 N8 . . 108.8(2) ?
    N7 N8 C19 . . 110.36(19) ?
    N7 N8 C20 . . 118.88(19) ?
    C19 N8 C20 . . 130.76(19) ?
    C21 N9 C20 . . 122.76(18) ?
    C23 N9 C20 . . 129.07(18) ?
    C23 N9 C21 . . 108.09(16) ?
    C22 N10 Zn1 . . 122.53(13) ?
    C23 N10 Zn1 . . 130.13(13) ?
    C23 N10 C22 . . 106.81(16) ?
    N12 N11 Zn1 . . 120.43(16) ?
    N13 N12 N11 . . 177.3(2) ?
    N15 N14 Zn1 . . 122.67(18) ?
    N14 N15 N16 . . 177.3(3) ?
    N1 C1 C2 . . 131.5(2) ?
    N1 C1 C6 . . 108.9(2) ?
    C6 C1 C2 . . 119.5(3) ?
    C1 C2 H2 . . 121.2 ?
    C3 C2 C1 . . 117.6(3) ?
    C3 C2 H2 . . 121.2 ?
    C2 C3 H3 . . 119.0 ?
    C2 C3 C4 . . 122.0(3) ?
    C4 C3 H3 . . 119.0 ?
    C3 C4 H4 . . 119.0 ?
    C5 C4 C3 . . 122.0(3) ?
    C5 C4 H4 . . 119.0 ?
    C4 C5 H5 . . 121.8 ?
    C4 C5 C6 . . 116.3(3) ?
    C6 C5 H5 . . 121.8 ?
    N3 C6 C1 . . 103.61(19) ?
    N3 C6 C5 . . 133.8(2) ?
    C1 C6 C5 . . 122.5(2) ?
    N3 C7 N4 . . 111.99(15) ?
    N3 C7 H7A . . 109.2 ?
    N3 C7 H7B . . 109.2 ?
    N4 C7 H7A . . 109.2 ?
    N4 C7 H7B . . 109.2 ?
    H7A C7 H7B . . 107.9 ?
    N4 C8 H8 . . 126.7 ?
    C9 C8 N4 . . 106.53(17) ?
    C9 C8 H8 . . 126.7 ?
    N5 C9 H9 . . 125.5 ?
    C8 C9 N5 . . 109.09(18) ?
    C8 C9 H9 . . 125.5 ?
    N4 C10 C11 . . 125.92(17) ?
    N5 C10 N4 . . 108.70(16) ?
    N5 C10 C11 . . 125.37(17) ?
    C10 C11 H11A . . 108.6 ?
    C10 C11 H11B . . 108.6 ?
    C10 C11 C12 . . 114.76(17) ?
    H11A C11 H11B . . 107.6 ?
    C12 C11 H11A . . 108.6 ?
    C12 C11 H11B . . 108.6 ?
    C11 C12 H12A . . 109.3 ?
    C11 C12 H12B . . 109.3 ?
    H12A C12 H12B . . 108.0 ?
    C13 C12 C11 . . 111.5(2) ?
    C13 C12 H12A . . 109.3 ?
    C13 C12 H12B . . 109.3 ?
    C12 C13 H13A . . 109.5 ?
    C12 C13 H13B . . 109.5 ?
    C12 C13 H13C . . 109.5 ?
    H13A C13 H13B . . 109.5 ?
    H13A C13 H13C . . 109.5 ?
    H13B C13 H13C . . 109.5 ?
    N6 C14 C15 . . 130.7(2) ?
    N6 C14 C19 . . 108.4(2) ?
    C19 C14 C15 . . 121.0(2) ?
    C14 C15 H15 . . 121.5 ?
    C16 C15 C14 . . 117.0(3) ?
    C16 C15 H15 . . 121.5 ?
    C15 C16 H16 . . 119.1 ?
    C15 C16 C17 . . 121.9(3) ?
    C17 C16 H16 . . 119.1 ?
    C16 C17 H17 . . 118.9 ?
    C18 C17 C16 . . 122.2(3) ?
    C18 C17 H17 . . 118.9 ?
    C17 C18 H18 . . 121.9 ?
    C17 C18 C19 . . 116.2(2) ?
    C19 C18 H18 . . 121.9 ?
    N8 C19 C14 . . 104.0(2) ?
    N8 C19 C18 . . 134.2(2) ?
    C18 C19 C14 . . 121.7(2) ?
    N8 C20 N9 . . 111.03(17) ?
    N8 C20 H20A . . 109.4 ?
    N8 C20 H20B . . 109.4 ?
    N9 C20 H20A . . 109.4 ?
    N9 C20 H20B . . 109.4 ?
    H20A C20 H20B . . 108.0 ?
    N9 C21 H21 . . 126.9 ?
    C22 C21 N9 . . 106.17(18) ?
    C22 C21 H21 . . 126.9 ?
    N10 C22 H22 . . 125.2 ?
    C21 C22 N10 . . 109.65(18) ?
    C21 C22 H22 . . 125.2 ?
    N9 C23 C24 . . 126.60(18) ?
    N10 C23 N9 . . 109.27(17) ?
    N10 C23 C24 . . 124.07(18) ?
    C23 C24 H24A . . 109.2 ?
    C23 C24 H24B . . 109.2 ?
    C23 C24 C25 . . 112.1(2) ?
    H24A C24 H24B . . 107.9 ?
    C25 C24 H24A . . 109.2 ?
    C25 C24 H24B . . 109.2 ?
    C24 C25 H25A . . 109.2 ?
    C24 C25 H25B . . 109.2 ?
    C24 C25 C26 . . 112.1(3) ?
    H25A C25 H25B . . 107.9 ?
    C26 C25 H25A . . 109.2 ?
    C26 C25 H25B . . 109.2 ?
    C25 C26 H26A . . 109.5 ?
    C25 C26 H26B . . 109.5 ?
    C25 C26 H26C . . 109.5 ?
    H26A C26 H26B . . 109.5 ?
    H26A C26 H26C . . 109.5 ?
    H26B C26 H26C . . 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 N5 C9 C8 . . . . -169.50(14) ?
    Zn1 N5 C10 N4 . . . . 168.56(13) ?
    Zn1 N5 C10 C11 . . . . -12.5(3) ?
    Zn1 N10 C22 C21 . . . . -172.60(15) ?
    Zn1 N10 C23 N9 . . . . 172.12(13) ?
    Zn1 N10 C23 C24 . . . . -10.7(3) ?
    N1 N2 N3 C6 . . . . 0.2(2) ?
    N1 N2 N3 C7 . . . . 177.55(16) ?
    N1 C1 C2 C3 . . . . 178.1(2) ?
    N1 C1 C6 N3 . . . . -0.4(2) ?
    N1 C1 C6 C5 . . . . -178.90(18) ?
    N2 N1 C1 C2 . . . . -178.2(2) ?
    N2 N1 C1 C6 . . . . 0.5(2) ?
    N2 N3 C6 C1 . . . . 0.1(2) ?
    N2 N3 C6 C5 . . . . 178.4(2) ?
    N2 N3 C7 N4 . . . . 85.6(2) ?
    N4 C8 C9 N5 . . . . -0.4(2) ?
    N4 C10 C11 C12 . . . . -114.0(2) ?
    N5 C10 C11 C12 . . . . 67.2(3) ?
    N6 N7 N8 C19 . . . . -0.3(2) ?
    N6 N7 N8 C20 . . . . 178.77(18) ?
    N6 C14 C15 C16 . . . . -177.8(2) ?
    N6 C14 C19 N8 . . . . 0.2(2) ?
    N6 C14 C19 C18 . . . . 178.00(19) ?
    N7 N6 C14 C15 . . . . 178.0(2) ?
    N7 N6 C14 C19 . . . . -0.4(3) ?
    N7 N8 C19 C14 . . . . 0.0(2) ?
    N7 N8 C19 C18 . . . . -177.4(2) ?
    N7 N8 C20 N9 . . . . -79.2(2) ?
    N9 C21 C22 N10 . . . . -0.2(2) ?
    N9 C23 C24 C25 . . . . 104.2(2) ?
    N10 C23 C24 C25 . . . . -72.5(3) ?
    C1 N1 N2 N3 . . . . -0.4(2) ?
    C1 C2 C3 C4 . . . . 0.6(4) ?
    C2 C1 C6 N3 . . . . 178.50(18) ?
    C2 C1 C6 C5 . . . . 0.0(3) ?
    C2 C3 C4 C5 . . . . -0.2(4) ?
    C3 C4 C5 C6 . . . . -0.3(3) ?
    C4 C5 C6 N3 . . . . -177.6(2) ?
    C4 C5 C6 C1 . . . . 0.4(3) ?
    C6 N3 C7 N4 . . . . -97.6(2) ?
    C6 C1 C2 C3 . . . . -0.5(3) ?
    C7 N3 C6 C1 . . . . -176.91(18) ?
    C7 N3 C6 C5 . . . . 1.4(3) ?
    C7 N4 C8 C9 . . . . 179.78(18) ?
    C7 N4 C10 N5 . . . . -179.39(17) ?
    C7 N4 C10 C11 . . . . 1.7(3) ?
    C8 N4 C7 N3 . . . . 83.9(2) ?
    C8 N4 C10 N5 . . . . 0.3(2) ?
    C8 N4 C10 C11 . . . . -178.60(19) ?
    C9 N5 C10 N4 . . . . -0.6(2) ?
    C9 N5 C10 C11 . . . . 178.36(19) ?
    C10 N4 C7 N3 . . . . -96.5(2) ?
    C10 N4 C8 C9 . . . . 0.1(2) ?
    C10 N5 C9 C8 . . . . 0.6(2) ?
    C10 C11 C12 C13 . . . . -179.2(2) ?
    C14 N6 N7 N8 . . . . 0.4(3) ?
    C14 C15 C16 C17 . . . . -0.2(4) ?
    C15 C14 C19 N8 . . . . -178.4(2) ?
    C15 C14 C19 C18 . . . . -0.6(3) ?
    C15 C16 C17 C18 . . . . 0.0(4) ?
    C16 C17 C18 C19 . . . . 0.0(3) ?
    C17 C18 C19 N8 . . . . 177.4(2) ?
    C17 C18 C19 C14 . . . . 0.3(3) ?
    C19 N8 C20 N9 . . . . 99.6(2) ?
    C19 C14 C15 C16 . . . . 0.5(3) ?
    C20 N8 C19 C14 . . . . -178.8(2) ?
    C20 N8 C19 C18 . . . . 3.8(4) ?
    C20 N9 C21 C22 . . . . -176.54(19) ?
    C20 N9 C23 N10 . . . . 176.19(19) ?
    C20 N9 C23 C24 . . . . -0.9(3) ?
    C21 N9 C20 N8 . . . . 69.5(3) ?
    C21 N9 C23 N10 . . . . -0.6(2) ?
    C21 N9 C23 C24 . . . . -177.7(2) ?
    C22 N10 C23 N9 . . . . 0.4(2) ?
    C22 N10 C23 C24 . . . . 177.60(19) ?
    C23 N9 C20 N8 . . . . -106.8(2) ?
    C23 N9 C21 C22 . . . . 0.5(2) ?
    C23 N10 C22 C21 . . . . -0.1(2) ?
    C23 C24 C25 C26 . . . . 176.3(2) ?
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
    C7 H7B N13 2_765 0.97 2.55 3.436(3) 151
    C17 H17 N16 2_666 0.93 2.60 3.395(4) 144
    C20 H20B N1 1_545 0.97 2.58 3.544(3) 173
_shelxl_version_number       20.13
