#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/81/2208134.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2208134
loop_
_publ_author_name
'Xu, Ji-Yang'
'Zapata, Fatima'
'Courtney, Brandy H.'
'Fronczek, Frank R.'
'Chen, Banglin'
_publ_section_title
Poly[bis(μ₂-trans-di-4-pyridylethylene-κ²N:N')bis(nitrato-κ²O,O')bis(μ₄-succinato-κ⁴O:O':O'':O''')(μ₄-succinato-κ⁴O:O:O':O')tetrazinc(II)]
_journal_coeditor_code           NG6284
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m382
_journal_page_last               m384
_journal_paper_doi               10.1107/S1600536806002935
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Zn4 (C4 H4 O4)3 (N O3)2 (C12 H10 N2)2]'
_chemical_formula_moiety         'C36 H32 N6 O18 Zn4'
_chemical_formula_sum            'C36 H32 N6 O18 Zn4'
_chemical_formula_weight         1098.16
_chemical_name_systematic
;
Poly[bis(μ₂-trans-di-4-pyridylethylene-κ²N:N')bis(nitrato-κ²O,O')
bis(μ₄-succinato-κ⁴O:O':O'':O''')(μ₄-succinato-
κ⁴O:O:O':O')tetrazinc(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                82.58(2)
_cell_angle_beta                 80.87(2)
_cell_angle_gamma                69.097(14)
_cell_formula_units_Z            1
_cell_length_a                   9.615(4)
_cell_length_b                   9.804(4)
_cell_length_c                   11.729(4)
_cell_measurement_reflns_used    4442
_cell_measurement_temperature    110
_cell_measurement_theta_max      28.283
_cell_measurement_theta_min      2.546
_cell_volume                     1016.6(7)
_computing_cell_refinement
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction        'DENZO and SCALEPACK'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type
'Nonius KappaCCD (with an Oxford Cryosystems Cryostream cooler)'
_diffrn_measurement_method       'ω scans with κ offsets'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0587
_diffrn_reflns_av_sigmaI/netI    0.0957
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16627
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.59
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.417
_exptl_absorpt_correction_T_max  0.930
_exptl_absorpt_correction_T_min  0.861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'(DENZO and SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             554
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.586
_refine_diff_density_min         -0.522
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4947
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0950
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0226P)²+1.0067P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0752
_refine_ls_wR_factor_ref         0.0857
_reflns_number_gt                3320
_reflns_number_total             4947
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ng6284.cif
_cod_data_source_block           I
_cod_database_code               2208134
_cod_database_fobs_code          2208134
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_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_type_symbol
Zn1 0.28403(5) 0.39548(4) 0.66022(3) 0.01422(12) Uani d . 1 Zn
Zn2 0.35078(5) 0.64970(5) 0.75451(3) 0.01649(12) Uani d . 1 Zn
O1 0.5071(3) 0.3385(3) 0.6503(2) 0.0173(6) Uani d . 1 O
O2 0.5581(3) 0.5169(3) 0.7182(2) 0.0201(6) Uani d . 1 O
O3 0.2140(3) 0.5894(3) 0.56497(19) 0.0172(6) Uani d . 1 O
O4 0.2745(3) 0.7706(3) 0.61817(19) 0.0180(6) Uani d . 1 O
O5 0.2621(3) 0.4998(3) 0.82363(19) 0.0164(6) Uani d . 1 O
O6 0.0626(3) 0.6969(3) 0.8629(2) 0.0217(6) Uani d . 1 O
O7 0.2530(3) 0.2062(3) 0.7716(2) 0.0219(6) Uani d . 1 O
O8 0.0602(3) 0.3910(3) 0.7258(2) 0.0188(6) Uani d . 1 O
O9 0.0270(3) 0.2037(3) 0.8337(2) 0.0312(7) Uani d . 1 O
N1 0.2890(3) 0.2883(3) 0.5148(2) 0.0161(7) Uani d . 1 N
N2 0.3659(3) 0.7616(3) 0.8804(2) 0.0168(7) Uani d . 1 N
N3 0.1108(4) 0.2644(4) 0.7786(3) 0.0211(7) Uani d . 1 N
C1 0.1649(4) 0.3185(4) 0.4644(3) 0.0210(9) Uani d . 1 C
H1 0.0743 0.3852 0.4992 0.025 Uiso calc R 1 H
C2 0.1595(4) 0.2595(4) 0.3653(3) 0.0203(9) Uani d . 1 C
H2 0.0682 0.2865 0.3326 0.024 Uiso calc R 1 H
C3 0.2915(4) 0.1587(4) 0.3137(3) 0.0171(8) Uani d . 1 C
C4 0.4213(4) 0.1268(4) 0.3657(3) 0.0181(8) Uani d . 1 C
H4 0.5134 0.0594 0.3338 0.022 Uiso calc R 1 H
C5 0.4156(4) 0.1936(4) 0.4640(3) 0.0169(8) Uani d . 1 C
H5 0.5057 0.1715 0.4974 0.020 Uiso calc R 1 H
C6 0.4812(4) 0.7078(4) 0.9445(3) 0.0184(8) Uani d . 1 C
H6 0.5596 0.6194 0.9248 0.022 Uiso calc R 1 H
C7 0.4898(4) 0.7752(4) 1.0367(3) 0.0182(8) Uani d . 1 C
H7 0.5731 0.7334 1.0796 0.022 Uiso calc R 1 H
C8 0.3769(4) 0.9050(4) 1.0680(3) 0.0176(8) Uani d . 1 C
C9 0.2581(4) 0.9610(4) 1.0009(3) 0.0215(9) Uani d . 1 C
H9 0.1793 1.0500 1.0184 0.026 Uiso calc R 1 H
C10 0.2552(4) 0.8874(4) 0.9095(3) 0.0220(9) Uani d . 1 C
H10 0.1727 0.9261 0.8656 0.026 Uiso calc R 1 H
C11 0.3885(4) 0.9753(4) 1.1671(3) 0.0187(8) Uani d . 1 C
H11 0.4787 0.9349 1.2020 0.022 Uiso calc R 1 H
C12 0.2820(4) 1.0919(4) 1.2124(3) 0.0200(8) Uani d . 1 C
H12 0.1933 1.1345 1.1758 0.024 Uiso calc R 1 H
C13 0.5958(4) 0.3931(4) 0.6789(3) 0.0140(8) Uani d . 1 C
C14 0.2293(4) 0.7125(4) 0.5472(3) 0.0157(8) Uani d . 1 C
C15 0.1916(4) 0.7978(4) 0.4326(3) 0.0183(8) Uani d . 1 C
H15A 0.2430 0.8708 0.4159 0.022 Uiso calc R 1 H
H15B 0.0822 0.8513 0.4376 0.022 Uiso calc R 1 H
C16 0.2396(4) 0.6962(4) 0.3340(3) 0.0144(8) Uani d . 1 C
H16A 0.1814 0.6289 0.3480 0.017 Uiso calc R 1 H
H16B 0.2146 0.7559 0.2604 0.017 Uiso calc R 1 H
C17 0.1320(4) 0.5673(4) 0.8835(3) 0.0187(8) Uani d . 1 C
C18 0.0843(4) 0.4747(4) 0.9842(3) 0.0210(9) Uani d . 1 C
H18A 0.1317 0.4782 1.0523 0.025 Uiso calc R 1 H
H18B 0.1206 0.3716 0.9643 0.025 Uiso calc R 1 H
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'
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
O1 Zn1 O3 . . 105.79(10)
O1 Zn1 N1 . . 95.03(10)
O3 Zn1 N1 . . 89.11(11)
O1 Zn1 O8 . . 157.64(10)
O3 Zn1 O8 . . 95.84(10)
N1 Zn1 O8 . . 90.85(10)
O1 Zn1 O7 . . 99.52(10)
O3 Zn1 O7 . . 154.69(10)
N1 Zn1 O7 . . 88.64(11)
O8 Zn1 O7 . . 59.00(9)
O1 Zn1 O5 . . 88.94(9)
O3 Zn1 O5 . . 93.65(9)
N1 Zn1 O5 . . 174.38(10)
O8 Zn1 O5 . . 84.00(9)
O7 Zn1 O5 . . 86.78(9)
O1 Zn1 Zn2 . . 72.62(7)
O3 Zn1 Zn2 . . 66.04(7)
N1 Zn1 Zn2 . . 146.75(8)
O8 Zn1 Zn2 . . 112.44(7)
O7 Zn1 Zn2 . . 123.34(7)
O5 Zn1 Zn2 . . 38.57(6)
O4 Zn2 O2 . . 111.41(10)
O4 Zn2 O5 . . 118.65(10)
O2 Zn2 O5 . . 97.71(11)
O4 Zn2 N2 . . 114.37(11)
O2 Zn2 N2 . . 103.29(11)
O5 Zn2 N2 . . 109.12(11)
O4 Zn2 Zn1 . . 87.16(8)
O2 Zn2 Zn1 . . 80.92(8)
O5 Zn2 Zn1 . . 44.76(7)
N2 Zn2 Zn1 . . 153.64(9)
C13 O1 Zn1 . . 135.4(2)
C13 O2 Zn2 . . 125.5(2)
C14 O3 Zn1 . . 142.3(2)
C14 O4 Zn2 . . 117.4(2)
C17 O5 Zn2 . . 107.8(2)
C17 O5 Zn1 . . 123.6(2)
Zn2 O5 Zn1 . . 96.68(9)
N3 O7 Zn1 . . 91.8(2)
N3 O8 Zn1 . . 93.07(19)
C1 N1 C5 . . 116.6(3)
C1 N1 Zn1 . . 120.5(2)
C5 N1 Zn1 . . 122.8(2)
C6 N2 C10 . . 118.0(3)
C6 N2 Zn2 . . 120.8(2)
C10 N2 Zn2 . . 120.9(2)
O9 N3 O7 . . 122.3(3)
O9 N3 O8 . . 121.6(3)
O7 N3 O8 . . 116.1(3)
N1 C1 C2 . . 124.4(3)
N1 C1 H1 . . 117.8
C2 C1 H1 . . 117.8
C1 C2 C3 . . 118.7(3)
C1 C2 H2 . . 120.6
C3 C2 H2 . . 120.6
C4 C3 C2 . . 117.1(3)
C4 C3 C12 . 1_544 124.9(3)
C2 C3 C12 . 1_544 118.0(3)
C5 C4 C3 . . 119.8(3)
C5 C4 H4 . . 120.1
C3 C4 H4 . . 120.1
N1 C5 C4 . . 123.3(3)
N1 C5 H5 . . 118.3
C4 C5 H5 . . 118.3
N2 C6 C7 . . 122.7(3)
N2 C6 H6 . . 118.7
C7 C6 H6 . . 118.7
C6 C7 C8 . . 120.2(3)
C6 C7 H7 . . 119.9
C8 C7 H7 . . 119.9
C7 C8 C9 . . 117.0(3)
C7 C8 C11 . . 119.2(3)
C9 C8 C11 . . 123.7(3)
C10 C9 C8 . . 120.1(3)
C10 C9 H9 . . 120.0
C8 C9 H9 . . 120.0
N2 C10 C9 . . 122.0(3)
N2 C10 H10 . . 119.0
C9 C10 H10 . . 119.0
C12 C11 C8 . . 125.1(4)
C12 C11 H11 . . 117.5
C8 C11 H11 . . 117.5
C11 C12 C3 . 1_566 125.1(4)
C11 C12 H12 . . 117.5
C3 C12 H12 1_566 . 117.5
O1 C13 O2 . . 125.4(3)
O1 C13 C16 . 2_666 117.7(3)
O2 C13 C16 . 2_666 116.9(3)
O3 C14 O4 . . 125.0(3)
O3 C14 C15 . . 117.4(3)
O4 C14 C15 . . 117.7(3)
C14 C15 C16 . . 111.2(3)
C14 C15 H15A . . 109.4
C16 C15 H15A . . 109.4
C14 C15 H15B . . 109.4
C16 C15 H15B . . 109.4
H15A C15 H15B . . 108.0
C13 C16 C15 2_666 . 113.5(3)
C13 C16 H16A 2_666 . 108.9
C15 C16 H16A . . 108.9
C13 C16 H16B 2_666 . 108.9
C15 C16 H16B . . 108.9
H16A C16 H16B . . 107.7
O6 C17 O5 . . 121.8(3)
O6 C17 C18 . . 123.3(3)
O5 C17 C18 . . 114.7(3)
C17 C18 C18 . 2_567 112.5(4)
C17 C18 H18A . . 109.1
C18 C18 H18A 2_567 . 109.1
C17 C18 H18B . . 109.1
C18 C18 H18B 2_567 . 109.1
H18A C18 H18B . . 107.8
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 . 2.002(2) y
Zn1 O3 . 2.023(3) y
Zn1 N1 . 2.102(3) y
Zn1 O8 . 2.182(3) y
Zn1 O7 . 2.210(3) y
Zn1 O5 . 2.233(2) y
Zn1 Zn2 . 3.1505(12) ?
Zn2 O4 . 1.940(3) y
Zn2 O2 . 1.968(2) y
Zn2 O5 . 1.977(2) y
Zn2 N2 . 2.001(3) y
O1 C13 . 1.261(4) ?
O2 C13 . 1.263(4) ?
O3 C14 . 1.254(4) ?
O4 C14 . 1.272(4) ?
O5 C17 . 1.321(4) ?
O6 C17 . 1.219(4) ?
O7 N3 . 1.273(4) ?
O8 N3 . 1.276(4) ?
O9 N3 . 1.224(4) ?
N1 C1 . 1.338(5) ?
N1 C5 . 1.343(4) ?
N2 C6 . 1.348(4) ?
N2 C10 . 1.352(4) ?
C1 C2 . 1.379(5) ?
C1 H1 . 0.9500 ?
C2 C3 . 1.403(5) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.394(5) ?
C3 C12 1_544 1.458(5) y
C4 C5 . 1.382(5) ?
C4 H4 . 0.9500 ?
C5 H5 . 0.9500 ?
C6 C7 . 1.366(5) ?
C6 H6 . 0.9500 ?
C7 C8 . 1.394(5) ?
C7 H7 . 0.9500 ?
C8 C9 . 1.397(5) ?
C8 C11 . 1.463(5) ?
C9 C10 . 1.377(5) ?
C9 H9 . 0.9500 ?
C10 H10 . 0.9500 ?
C11 C12 . 1.336(5) y
C11 H11 . 0.9500 ?
C12 C3 1_566 1.458(5) y
C12 H12 . 0.9500 ?
C13 C16 2_666 1.504(5) y
C14 C15 . 1.512(5) ?
C15 C16 . 1.531(5) ?
C15 H15A . 0.9900 ?
C15 H15B . 0.9900 ?
C16 C13 2_666 1.504(5) y
C16 H16A . 0.9900 ?
C16 H16B . 0.9900 ?
C17 C18 . 1.510(5) ?
C18 C18 2_567 1.515(7) y
C18 H18A . 0.9900 ?
C18 H18B . 0.9900 ?
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_4
_geom_torsion
_geom_torsion_publ_flag
O1 Zn1 Zn2 O4 . . 111.76(10) ?
O3 Zn1 Zn2 O4 . . -5.05(10) ?
N1 Zn1 Zn2 O4 . . 39.81(17) ?
O8 Zn1 Zn2 O4 . . -91.43(10) ?
O7 Zn1 Zn2 O4 . . -158.14(10) ?
O5 Zn1 Zn2 O4 . . -137.05(12) ?
O1 Zn1 Zn2 O2 . . -0.45(10) ?
O3 Zn1 Zn2 O2 . . -117.26(11) ?
N1 Zn1 Zn2 O2 . . -72.40(17) ?
O8 Zn1 Zn2 O2 . . 156.35(10) ?
O7 Zn1 Zn2 O2 . . 89.64(11) ?
O5 Zn1 Zn2 O2 . . 110.74(13) ?
O1 Zn1 Zn2 O5 . . -111.19(13) ?
O3 Zn1 Zn2 O5 . . 132.00(13) ?
N1 Zn1 Zn2 O5 . . 176.86(18) ?
O7 Zn1 Zn2 O5 . . -21.10(12) ?
O1 Zn1 Zn2 N2 . . -102.1(2) ?
O3 Zn1 Zn2 N2 . . 141.1(2) ?
N1 Zn1 Zn2 N2 . . -174.0(3) ?
O8 Zn1 Zn2 N2 . . 54.7(2) ?
O7 Zn1 Zn2 N2 . . -12.0(2) ?
O5 Zn1 Zn2 N2 . . 9.1(2) ?
O3 Zn1 O1 C13 . . 61.1(3) ?
N1 Zn1 O1 C13 . . 151.6(3) ?
O8 Zn1 O1 C13 . . -103.7(4) ?
O7 Zn1 O1 C13 . . -118.9(3) ?
O5 Zn1 O1 C13 . . -32.3(3) ?
Zn2 Zn1 O1 C13 . . 3.2(3) ?
O4 Zn2 O2 C13 . . -84.9(3) ?
O5 Zn2 O2 C13 . . 40.0(3) ?
N2 Zn2 O2 C13 . . 151.8(3) ?
Zn1 Zn2 O2 C13 . . -1.6(3) ?
O1 Zn1 O3 C14 . . -46.1(4) ?
N1 Zn1 O3 C14 . . -141.0(4) ?
O8 Zn1 O3 C14 . . 128.2(3) ?
O7 Zn1 O3 C14 . . 134.0(3) ?
O5 Zn1 O3 C14 . . 43.9(3) ?
Zn2 Zn1 O3 C14 . . 16.2(3) ?
O2 Zn2 O4 C14 . . 79.3(3) ?
O5 Zn2 O4 C14 . . -33.0(3) ?
N2 Zn2 O4 C14 . . -164.1(2) ?
Zn1 Zn2 O4 C14 . . 0.2(2) ?
O4 Zn2 O5 C17 . . -77.6(2) ?
O2 Zn2 O5 C17 . . 162.8(2) ?
N2 Zn2 O5 C17 . . 55.8(2) ?
Zn1 Zn2 O5 C17 . . -128.5(2) ?
O4 Zn2 O5 Zn1 . . 50.86(13) ?
O2 Zn2 O5 Zn1 . . -68.73(11) ?
N2 Zn2 O5 Zn1 . . -175.74(10) ?
O1 Zn1 O5 C17 . . 179.4(3) ?
O3 Zn1 O5 C17 . . 73.6(3) ?
O8 Zn1 O5 C17 . . -21.8(3) ?
O7 Zn1 O5 C17 . . -81.0(3) ?
Zn2 Zn1 O5 C17 . . 116.5(3) ?
O1 Zn1 O5 Zn2 . . 62.87(11) ?
O3 Zn1 O5 Zn2 . . -42.88(11) ?
O8 Zn1 O5 Zn2 . . -138.38(11) ?
O7 Zn1 O5 Zn2 . . 162.47(10) ?
O1 Zn1 O7 N3 . . 174.02(18) ?
O3 Zn1 O7 N3 . . -6.1(3) ?
N1 Zn1 O7 N3 . . -91.11(19) ?
O8 Zn1 O7 N3 . . 0.71(17) ?
O5 Zn1 O7 N3 . . 85.64(19) ?
Zn2 Zn1 O7 N3 . . 98.62(18) ?
O1 Zn1 O8 N3 . . -18.3(3) ?
O3 Zn1 O8 N3 . . 176.38(18) ?
N1 Zn1 O8 N3 . . 87.19(19) ?
O7 Zn1 O8 N3 . . -0.71(17) ?
O5 Zn1 O8 N3 . . -90.55(18) ?
Zn2 Zn1 O8 N3 . . -117.16(17) ?
O1 Zn1 N1 C1 . . -164.4(3) ?
O3 Zn1 N1 C1 . . -58.7(3) ?
O8 Zn1 N1 C1 . . 37.2(3) ?
O7 Zn1 N1 C1 . . 96.1(3) ?
Zn2 Zn1 N1 C1 . . -98.8(3) ?
O1 Zn1 N1 C5 . . 11.8(3) ?
O3 Zn1 N1 C5 . . 117.6(3) ?
O8 Zn1 N1 C5 . . -146.6(3) ?
O7 Zn1 N1 C5 . . -87.6(3) ?
Zn2 Zn1 N1 C5 . . 77.4(3) ?
O4 Zn2 N2 C6 . . -142.7(3) ?
O2 Zn2 N2 C6 . . -21.4(3) ?
O5 Zn2 N2 C6 . . 81.8(3) ?
Zn1 Zn2 N2 C6 . . 75.0(4) ?
O4 Zn2 N2 C10 . . 42.6(3) ?
O2 Zn2 N2 C10 . . 163.9(3) ?
O5 Zn2 N2 C10 . . -93.0(3) ?
Zn1 Zn2 N2 C10 . . -99.7(3) ?
Zn1 O7 N3 O9 . . 179.6(3) ?
Zn1 O7 N3 O8 . . -1.2(3) ?
Zn1 O8 N3 O9 . . -179.6(3) ?
Zn1 O8 N3 O7 . . 1.2(3) ?
C5 N1 C1 C2 . . -0.1(6) ?
Zn1 N1 C1 C2 . . 176.4(3) ?
N1 C1 C2 C3 . . 1.2(6) ?
C1 C2 C3 C4 . . -1.1(5) ?
C1 C2 C3 C12 . 1_544 177.0(3) ?
C2 C3 C4 C5 . . 0.1(5) ?
C12 C3 C4 C5 1_544 . -177.8(3) ?
C1 N1 C5 C4 . . -1.0(5) ?
Zn1 N1 C5 C4 . . -177.4(3) ?
C3 C4 C5 N1 . . 1.0(5) ?
C10 N2 C6 C7 . . -0.1(5) ?
Zn2 N2 C6 C7 . . -174.9(3) ?
N2 C6 C7 C8 . . -0.1(6) ?
C6 C7 C8 C9 . . -0.4(5) ?
C6 C7 C8 C11 . . 180.0(3) ?
C7 C8 C9 C10 . . 0.9(5) ?
C11 C8 C9 C10 . . -179.5(3) ?
C6 N2 C10 C9 . . 0.6(6) ?
Zn2 N2 C10 C9 . . 175.5(3) ?
C8 C9 C10 N2 . . -1.0(6) ?
C7 C8 C11 C12 . . -173.5(4) ?
C9 C8 C11 C12 . . 6.9(6) ?
C8 C11 C12 C3 . 1_566 177.7(3) y
Zn1 O1 C13 O2 . . -5.8(6) ?
Zn1 O1 C13 C16 . 2_666 173.9(2) ?
Zn2 O2 C13 O1 . . 4.4(5) ?
Zn2 O2 C13 C16 . 2_666 -175.3(2) ?
Zn1 O3 C14 O4 . . -22.4(6) ?
Zn1 O3 C14 C15 . . 157.5(3) ?
Zn2 O4 C14 O3 . . 8.8(4) ?
Zn2 O4 C14 C15 . . -171.1(2) ?
O3 C14 C15 C16 . . -37.5(4) ?
O4 C14 C15 C16 . . 142.4(3) ?
C14 C15 C16 C13 . 2_666 -57.7(4) y
Zn2 O5 C17 O6 . . 23.1(4) ?
Zn1 O5 C17 O6 . . -88.0(4) ?
Zn2 O5 C17 C18 . . -152.0(3) ?
Zn1 O5 C17 C18 . . 96.9(3) ?
O6 C17 C18 C18 . 2_567 30.6(6) ?
O5 C17 C18 C18 . 2_567 -154.4(4) ?
