#------------------------------------------------------------------------------
#$Date: 2024-12-06 19:47:02 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296487 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/94/7249475.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7249475
loop_
_publ_author_name
'Gak Simić, Kristina'
'Đorđević, Ivana'
'Mašulović, Aleksandra'
'Radovanović, Lidija'
'Jeannin, Olivier'
'Camerel, Franck'
'Trišović, Nemanja'
_publ_section_title
;
 Self-assembly properties of zinc(ii) complexes with azo ligands grafted
 with dodecyl chains: towards supramolecular materials driven by
 coordination and hydrophobic effect
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              6448
_journal_page_last               6464
_journal_paper_doi               10.1039/D4CE00983E
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C44 H64 N10 O8 Zn'
_chemical_formula_sum            'C44 H64 N10 O8 Zn'
_chemical_formula_weight         926.44
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2023-09-05T11:13:04-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2024-07-24 deposited with the CCDC.	2024-10-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.017(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.459(2)
_cell_length_b                   10.6509(13)
_cell_length_c                   30.001(4)
_cell_measurement_reflns_used    9995
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.18
_cell_measurement_theta_min      2.35
_cell_measurement_wavelength     0.71073
_cell_volume                     4812.8(11)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'Bruker APEX3 (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector                 CMOS-PHOTON70
_diffrn_detector_area_resol_mean 7.39
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_orient_matrix_UB_11      0.051148
_diffrn_orient_matrix_UB_12      0.047978
_diffrn_orient_matrix_UB_13      0.018648
_diffrn_orient_matrix_UB_21      -0.029985
_diffrn_orient_matrix_UB_22      0.001415
_diffrn_orient_matrix_UB_23      0.026255
_diffrn_orient_matrix_UB_31      0.029885
_diffrn_orient_matrix_UB_32      -0.080692
_diffrn_orient_matrix_UB_33      0.011548
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_av_unetI/netI     0.0476
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            30275
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.515
_diffrn_reflns_theta_min         2.342
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.57
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.7
_refine_diff_density_min         -0.467
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     285
_refine_ls_number_reflns         5492
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.062
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0856P)²+5.3972P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1695
_refine_ls_wR_factor_ref         0.1788
_reflns_Friedel_coverage         0
_reflns_number_gt                4483
_reflns_number_total             5492
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00983e2.cif
_cod_data_source_block           D1_295K_04sept23_archive
_cod_depositor_comments
'Adding full bibliography for 7249474--7249475.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7249475
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'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.14408(19) 0.5543(3) 0.72562(10) 0.0518(6) Uani 1 1 d . . . . .
C2 C 1.1972(2) 0.3729(3) 0.76195(12) 0.0584(7) Uani 1 1 d . . . . .
H2 H 1.188367 0.29661 0.775311 0.07 Uiso 1 1 calc R U . . .
C3 C 1.2815(2) 0.4080(3) 0.76015(14) 0.0707(9) Uani 1 1 d . . . . .
H3 H 1.329974 0.356239 0.771392 0.085 Uiso 1 1 calc R U . . .
C4 C 1.2916(2) 0.5217(3) 0.74122(15) 0.0778(10) Uani 1 1 d . . . . .
H4 H 1.348542 0.548561 0.740633 0.093 Uiso 1 1 calc R U . . .
C5 C 0.92608(19) 0.6624(3) 0.67895(9) 0.0510(6) Uani 1 1 d . . . . .
C6 C 0.9305(2) 0.7924(3) 0.67548(11) 0.0582(7) Uani 1 1 d . . . . .
H6 H 0.983962 0.833963 0.686318 0.07 Uiso 1 1 calc R U . . .
C7 C 0.8554(2) 0.8591(3) 0.65596(12) 0.0644(8) Uani 1 1 d . . . . .
H7 H 0.858133 0.946017 0.653857 0.077 Uiso 1 1 calc R U . . .
C8 C 0.7752(2) 0.7975(3) 0.63931(10) 0.0584(7) Uani 1 1 d . . . . .
C9 C 0.7713(2) 0.6676(3) 0.64170(11) 0.0626(8) Uani 1 1 d . . . . .
H9 H 0.718342 0.625731 0.629915 0.075 Uiso 1 1 calc R U . . .
C10 C 0.8465(2) 0.6012(3) 0.66162(11) 0.0617(7) Uani 1 1 d . . . . .
H10 H 0.843829 0.514172 0.663475 0.074 Uiso 1 1 calc R U . . .
C11 C 0.6217(2) 0.8172(4) 0.60073(13) 0.0734(9) Uani 1 1 d . . . . .
H11A H 0.601654 0.762617 0.62223 0.088 Uiso 1 1 calc R U . . .
H11B H 0.627213 0.767875 0.574324 0.088 Uiso 1 1 calc R U . . .
C12 C 0.5572(2) 0.9227(4) 0.58643(14) 0.0761(10) Uani 1 1 d . . . . .
H12A H 0.581344 0.980926 0.56754 0.091 Uiso 1 1 calc R U . . .
H12B H 0.549764 0.967633 0.613447 0.091 Uiso 1 1 calc R U . . .
C13 C 0.4669(2) 0.8771(4) 0.55991(14) 0.0775(10) Uani 1 1 d . . . . .
H13A H 0.474552 0.830204 0.533367 0.093 Uiso 1 1 calc R U . . .
H13B H 0.442066 0.82064 0.57912 0.093 Uiso 1 1 calc R U . . .
C14 C 0.4024(2) 0.9832(4) 0.54436(13) 0.0788(10) Uani 1 1 d . . . . .
H14A H 0.429109 1.042064 0.526748 0.095 Uiso 1 1 calc R U . . .
H14B H 0.392689 1.027156 0.571113 0.095 Uiso 1 1 calc R U . . .
C15 C 0.3135(2) 0.9419(4) 0.51563(14) 0.0801(10) Uani 1 1 d . . . . .
H15A H 0.287395 0.88121 0.532848 0.096 Uiso 1 1 calc R U . . .
H15B H 0.322863 0.900315 0.488347 0.096 Uiso 1 1 calc R U . . .
C16 C 0.2485(2) 1.0494(4) 0.50146(14) 0.0801(10) Uani 1 1 d . . . . .
H16A H 0.239618 1.091408 0.528775 0.096 Uiso 1 1 calc R U . . .
H16B H 0.274491 1.109735 0.484085 0.096 Uiso 1 1 calc R U . . .
C17 C 0.1586(2) 1.0092(4) 0.47293(14) 0.0805(10) Uani 1 1 d . . . . .
H17A H 0.167008 0.97096 0.444864 0.097 Uiso 1 1 calc R U . . .
H17B H 0.133654 0.946084 0.489664 0.097 Uiso 1 1 calc R U . . .
C18 C 0.0932(3) 1.1167(4) 0.46096(14) 0.0778(10) Uani 1 1 d . . . . .
H18A H 0.117744 1.178697 0.443587 0.093 Uiso 1 1 calc R U . . .
H18B H 0.086338 1.156338 0.489056 0.093 Uiso 1 1 calc R U . . .
C19 C 0.0024(2) 1.0779(4) 0.43355(13) 0.0752(9) Uani 1 1 d . . . . .
H19A H 0.009121 1.039334 0.405231 0.09 Uiso 1 1 calc R U . . .
H19B H -0.021824 1.014958 0.450713 0.09 Uiso 1 1 calc R U . . .
C20 C -0.0628(2) 1.1845(4) 0.42229(13) 0.0753(9) Uani 1 1 d . . . . .
H20A H -0.038682 1.246939 0.404911 0.09 Uiso 1 1 calc R U . . .
H20B H -0.068791 1.223629 0.450649 0.09 Uiso 1 1 calc R U . . .
C21 C -0.1538(3) 1.1477(5) 0.39551(14) 0.0860(11) Uani 1 1 d . . . . .
H21A H -0.177096 1.082646 0.412199 0.103 Uiso 1 1 calc R U . . .
H21B H -0.148387 1.11224 0.366477 0.103 Uiso 1 1 calc R U . . .
C22 C -0.2195(3) 1.2552(5) 0.38636(16) 0.0988(14) Uani 1 1 d . . . . .
H22A H -0.275767 1.224968 0.369244 0.148 Uiso 1 1 calc R U . . .
H22B H -0.226632 1.289531 0.414905 0.148 Uiso 1 1 calc R U . . .
H22C H -0.197891 1.319157 0.369132 0.148 Uiso 1 1 calc R U . . .
N1 N 1.12690(14) 0.4465(2) 0.74483(8) 0.0485(5) Uani 1 1 d . . . . .
N2 N 1.22360(19) 0.5957(3) 0.72362(12) 0.0723(8) Uani 1 1 d . . . . .
N3 N 1.07353(16) 0.6364(2) 0.70497(9) 0.0546(6) Uani 1 1 d . . . . .
N4 N 0.99929(16) 0.5851(2) 0.69941(8) 0.0506(5) Uani 1 1 d . . . . .
N5 N 0.9861(2) 0.1998(3) 0.68591(12) 0.0755(8) Uani 1 1 d . . . . .
Zn1 Zn 1 0.39928(4) 0.75 0.05239(18) Uani 1 2 d S T P . .
O1 O 0.70559(16) 0.8728(2) 0.62180(10) 0.0763(7) Uani 1 1 d . . . . .
O2 O 0.9494(2) 0.2961(3) 0.69312(11) 0.0965(9) Uani 1 1 d . . . . .
O3 O 0.9573(3) 0.1290(4) 0.65589(19) 0.165(2) Uani 1 1 d . . . . .
O4 O 1.0629(4) 0.1893(5) 0.7022(2) 0.212(3) Uani 1 1 d . . . . .
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 0 '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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 C1 N1 125.7(3) . . ?
N2 C1 N3 113.8(3) . . ?
N1 C1 N3 120.5(2) . . ?
N1 C2 C3 121.4(3) . . ?
N1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
C4 C3 C2 117.3(3) . . ?
C4 C3 H3 121.4 . . ?
C2 C3 H3 121.4 . . ?
N2 C4 C3 122.7(3) . . ?
N2 C4 H4 118.6 . . ?
C3 C4 H4 118.6 . . ?
C10 C5 C6 119.6(3) . . ?
C10 C5 N4 116.2(2) . . ?
C6 C5 N4 124.1(3) . . ?
C7 C6 C5 119.7(3) . . ?
C7 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C6 C7 C8 120.5(3) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 H7 119.7 . . ?
O1 C8 C9 125.0(3) . . ?
O1 C8 C7 115.3(3) . . ?
C9 C8 C7 119.8(3) . . ?
C10 C9 C8 119.5(3) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C9 C10 C5 120.8(3) . . ?
C9 C10 H10 119.6 . . ?
C5 C10 H10 119.6 . . ?
O1 C11 C12 107.1(3) . . ?
O1 C11 H11A 110.3 . . ?
C12 C11 H11A 110.3 . . ?
O1 C11 H11B 110.3 . . ?
C12 C11 H11B 110.3 . . ?
H11A C11 H11B 108.6 . . ?
C11 C12 C13 112.6(3) . . ?
C11 C12 H12A 109.1 . . ?
C13 C12 H12A 109.1 . . ?
C11 C12 H12B 109.1 . . ?
C13 C12 H12B 109.1 . . ?
H12A C12 H12B 107.8 . . ?
C14 C13 C12 112.8(3) . . ?
C14 C13 H13A 109 . . ?
C12 C13 H13A 109 . . ?
C14 C13 H13B 109 . . ?
C12 C13 H13B 109 . . ?
H13A C13 H13B 107.8 . . ?
C13 C14 C15 114.2(4) . . ?
C13 C14 H14A 108.7 . . ?
C15 C14 H14A 108.7 . . ?
C13 C14 H14B 108.7 . . ?
C15 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
C14 C15 C16 113.5(4) . . ?
C14 C15 H15A 108.9 . . ?
C16 C15 H15A 108.9 . . ?
C14 C15 H15B 108.9 . . ?
C16 C15 H15B 108.9 . . ?
H15A C15 H15B 107.7 . . ?
C17 C16 C15 114.1(4) . . ?
C17 C16 H16A 108.7 . . ?
C15 C16 H16A 108.7 . . ?
C17 C16 H16B 108.7 . . ?
C15 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
C18 C17 C16 113.4(4) . . ?
C18 C17 H17A 108.9 . . ?
C16 C17 H17A 108.9 . . ?
C18 C17 H17B 108.9 . . ?
C16 C17 H17B 108.9 . . ?
H17A C17 H17B 107.7 . . ?
C17 C18 C19 114.2(3) . . ?
C17 C18 H18A 108.7 . . ?
C19 C18 H18A 108.7 . . ?
C17 C18 H18B 108.7 . . ?
C19 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
C20 C19 C18 114.0(3) . . ?
C20 C19 H19A 108.7 . . ?
C18 C19 H19A 108.7 . . ?
C20 C19 H19B 108.7 . . ?
C18 C19 H19B 108.7 . . ?
H19A C19 H19B 107.6 . . ?
C19 C20 C21 114.9(3) . . ?
C19 C20 H20A 108.6 . . ?
C21 C20 H20A 108.6 . . ?
C19 C20 H20B 108.6 . . ?
C21 C20 H20B 108.6 . . ?
H20A C20 H20B 107.5 . . ?
C20 C21 C22 114.0(4) . . ?
C20 C21 H21A 108.7 . . ?
C22 C21 H21A 108.7 . . ?
C20 C21 H21B 108.7 . . ?
C22 C21 H21B 108.7 . . ?
H21A C21 H21B 107.6 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C1 N1 C2 116.3(2) . . ?
C1 N1 Zn1 121.71(18) . . ?
C2 N1 Zn1 122.0(2) . . ?
C1 N2 C4 116.5(3) . . ?
N4 N3 C1 112.3(2) . . ?
N3 N4 C5 115.0(2) . . ?
N3 N4 Zn1 112.87(18) . . ?
C5 N4 Zn1 128.07(18) . . ?
O3 N5 O4 115.1(4) . . ?
O3 N5 O2 124.3(4) . . ?
O4 N5 O2 118.2(4) . . ?
O2 Zn1 O2 114.54(19) 2_756 . ?
O2 Zn1 N1 105.16(12) 2_756 2_756 ?
O2 Zn1 N1 90.11(11) . 2_756 ?
O2 Zn1 N1 90.11(11) 2_756 . ?
O2 Zn1 N1 105.16(12) . . ?
N1 Zn1 N1 151.80(12) 2_756 . ?
O2 Zn1 N4 88.28(11) 2_756 2_756 ?
O2 Zn1 N4 152.70(10) . 2_756 ?
N1 Zn1 N4 68.58(8) 2_756 2_756 ?
N1 Zn1 N4 88.76(8) . 2_756 ?
O2 Zn1 N4 152.70(10) 2_756 . ?
O2 Zn1 N4 88.27(11) . . ?
N1 Zn1 N4 88.76(8) 2_756 . ?
N1 Zn1 N4 68.58(8) . . ?
N4 Zn1 N4 74.89(11) 2_756 . ?
C8 O1 C11 119.2(3) . . ?
N5 O2 Zn1 119.9(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N2 1.320(4) . ?
C1 N1 1.338(4) . ?
C1 N3 1.426(4) . ?
C2 N1 1.344(4) . ?
C2 C3 1.368(5) . ?
C2 H2 0.93 . ?
C3 C4 1.361(5) . ?
C3 H3 0.93 . ?
C4 N2 1.324(4) . ?
C4 H4 0.93 . ?
C5 C10 1.386(4) . ?
C5 C6 1.391(4) . ?
C5 N4 1.422(4) . ?
C6 C7 1.374(4) . ?
C6 H6 0.93 . ?
C7 C8 1.391(4) . ?
C7 H7 0.93 . ?
C8 O1 1.350(4) . ?
C8 C9 1.387(4) . ?
C9 C10 1.377(4) . ?
C9 H9 0.93 . ?
C10 H10 0.93 . ?
C11 O1 1.436(4) . ?
C11 C12 1.500(5) . ?
C11 H11A 0.97 . ?
C11 H11B 0.97 . ?
C12 C13 1.522(5) . ?
C12 H12A 0.97 . ?
C12 H12B 0.97 . ?
C13 C14 1.509(5) . ?
C13 H13A 0.97 . ?
C13 H13B 0.97 . ?
C14 C15 1.515(5) . ?
C14 H14A 0.97 . ?
C14 H14B 0.97 . ?
C15 C16 1.520(5) . ?
C15 H15A 0.97 . ?
C15 H15B 0.97 . ?
C16 C17 1.519(5) . ?
C16 H16A 0.97 . ?
C16 H16B 0.97 . ?
C17 C18 1.516(5) . ?
C17 H17A 0.97 . ?
C17 H17B 0.97 . ?
C18 C19 1.516(5) . ?
C18 H18A 0.97 . ?
C18 H18B 0.97 . ?
C19 C20 1.506(5) . ?
C19 H19A 0.97 . ?
C19 H19B 0.97 . ?
C20 C21 1.506(5) . ?
C20 H20A 0.97 . ?
C20 H20B 0.97 . ?
C21 C22 1.515(6) . ?
C21 H21A 0.97 . ?
C21 H21B 0.97 . ?
C22 H22A 0.96 . ?
C22 H22B 0.96 . ?
C22 H22C 0.96 . ?
N1 Zn1 2.065(2) . ?
N3 N4 1.248(3) . ?
N4 Zn1 2.492(2) . ?
N5 O3 1.182(5) . ?
N5 O4 1.183(5) . ?
N5 O2 1.215(4) . ?
Zn1 O2 2.032(3) 2_756 ?
Zn1 O2 2.032(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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C2 C3 C4 1.4(5) . . . . ?
C2 C3 C4 N2 -2.2(6) . . . . ?
C10 C5 C6 C7 1.6(5) . . . . ?
N4 C5 C6 C7 -178.6(3) . . . . ?
C5 C6 C7 C8 -0.5(5) . . . . ?
C6 C7 C8 O1 178.6(3) . . . . ?
C6 C7 C8 C9 -1.1(5) . . . . ?
O1 C8 C9 C10 -178.0(3) . . . . ?
C7 C8 C9 C10 1.7(5) . . . . ?
C8 C9 C10 C5 -0.6(5) . . . . ?
C6 C5 C10 C9 -1.1(5) . . . . ?
N4 C5 C10 C9 179.1(3) . . . . ?
O1 C11 C12 C13 175.2(3) . . . . ?
C11 C12 C13 C14 -178.5(3) . . . . ?
C12 C13 C14 C15 176.8(4) . . . . ?
C13 C14 C15 C16 178.3(4) . . . . ?
C14 C15 C16 C17 -179.5(4) . . . . ?
C15 C16 C17 C18 177.3(4) . . . . ?
C16 C17 C18 C19 -178.5(4) . . . . ?
C17 C18 C19 C20 179.2(4) . . . . ?
C18 C19 C20 C21 -179.4(4) . . . . ?
C19 C20 C21 C22 177.4(4) . . . . ?
N2 C1 N1 C2 -2.6(4) . . . . ?
N3 C1 N1 C2 177.6(3) . . . . ?
N2 C1 N1 Zn1 175.2(3) . . . . ?
N3 C1 N1 Zn1 -4.6(4) . . . . ?
C3 C2 N1 C1 0.8(4) . . . . ?
C3 C2 N1 Zn1 -177.0(3) . . . . ?
N1 C1 N2 C4 1.9(5) . . . . ?
N3 C1 N2 C4 -178.3(3) . . . . ?
C3 C4 N2 C1 0.7(6) . . . . ?
N2 C1 N3 N4 167.0(3) . . . . ?
N1 C1 N3 N4 -13.2(4) . . . . ?
C1 N3 N4 C5 180.0(2) . . . . ?
C1 N3 N4 Zn1 20.8(3) . . . . ?
C10 C5 N4 N3 164.0(3) . . . . ?
C6 C5 N4 N3 -15.8(4) . . . . ?
C10 C5 N4 Zn1 -40.6(3) . . . . ?
C6 C5 N4 Zn1 139.6(2) . . . . ?
C9 C8 O1 C11 -4.9(5) . . . . ?
C7 C8 O1 C11 175.4(3) . . . . ?
C12 C11 O1 C8 177.7(3) . . . . ?
O3 N5 O2 Zn1 173.4(4) . . . . ?
O4 N5 O2 Zn1 -25.1(7) . . . . ?
