#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:35:18 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179537 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/06/4500604.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_4500604
loop_
_publ_author_name
'Zang, Shuang-Quan'
'Fan, Ya-Juan'
'Li, Jia-Bin'
'Hou, Hong-Wei'
'Mak, Thomas C. W.'
_publ_section_title
;
 Halogen Bonding in the Assembly of Coordination Polymers Based on
 5-Iodo-Isophthalic Acid
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3395
_journal_paper_doi               10.1021/cg200022j
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C26 H18 I N3 O4 Zn'
_chemical_formula_sum            'C26 H18 I N3 O4 Zn'
_chemical_formula_weight         628.70
_chemical_name_systematic
;

 ?

;
_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                106.53(3)
_cell_angle_beta                 94.87(3)
_cell_angle_gamma                111.80(3)
_cell_formula_units_Z            2
_cell_length_a                   9.926(2)
_cell_length_b                   10.815(2)
_cell_length_c                   13.742(3)
_cell_measurement_reflns_used    2450
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.13
_cell_measurement_theta_min      1.58
_cell_volume                     1282.7(6)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Smart APEX II CCD area detector'
_diffrn_measurement_method       'ω scans'
_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  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0614
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13106
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    2.197
_exptl_absorpt_correction_T_max  0.7064
_exptl_absorpt_correction_T_min  0.6436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2009)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             620
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.674
_refine_diff_density_min         -0.448
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4509
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0730
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0282P)²+1.9191P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0849
_refine_ls_wR_factor_ref         0.0937
_reflns_number_gt                3497
_reflns_number_total             4509
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg200022j_si_002.cif
_cod_data_source_block           compound2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4500604
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.85777(6) 0.22461(6) 1.16366(4) 0.02604(17) Uani 1 1 d U . 4
I1 I 0.6098(4) 0.8504(4) 1.3677(3) 0.0560(9) Uani 0.79(4) 1 d P A 1
N1 N 0.8347(4) 0.2039(4) 0.9988(3) 0.0285(10) Uani 1 1 d . . .
N2 N 0.7604(4) -0.0021(4) 1.1265(3) 0.0284(10) Uani 1 1 d . . .
N3 N 0.8779(5) 0.2528(5) 0.3323(3) 0.0387(11) Uani 1 1 d . . .
O1 O 0.6433(5) 0.2301(5) 1.1656(3) 0.0511(11) Uani 1 1 d . . .
O2 O 0.0729(4) 0.3668(4) 1.1954(3) 0.0376(9) Uani 1 1 d . . .
O3 O 0.8151(4) 0.4428(5) 1.1980(3) 0.0591(12) Uani 1 1 d U . .
O4 O 0.1204(4) 0.1788(4) 1.1574(4) 0.0751(15) Uani 1 1 d . . .
C1 C 0.5287(6) 0.6293(5) 1.2960(4) 0.0352(13) Uani 1 1 d . . .
C2 C 0.3771(6) 0.5463(5) 1.2680(4) 0.0329(12) Uani 1 1 d . A .
H2 H 0.3106 0.5877 1.2821 0.039 Uiso 1 1 calc R . .
C3 C 0.3251(5) 0.4007(5) 1.2187(4) 0.0279(12) Uani 1 1 d . . .
C4 C 0.4256(5) 0.3410(5) 1.1982(4) 0.0297(12) Uani 1 1 d . . .
H4 H 0.3913 0.2433 1.1678 0.036 Uiso 1 1 calc R . .
C5 C 0.5769(5) 0.4251(5) 1.2223(4) 0.0288(12) Uani 1 1 d . . .
C6 C 0.6283(5) 0.5703(5) 1.2709(4) 0.0327(13) Uani 1 1 d . . .
H6 H 0.7295 0.6277 1.2865 0.039 Uiso 1 1 calc R . .
C7 C 0.6848(7) 0.3610(7) 1.1936(4) 0.0413(14) Uani 1 1 d . . .
C8 C 0.1605(6) 0.3064(6) 1.1869(4) 0.0357(13) Uani 1 1 d . A .
C9 C 0.7940(6) 0.0825(6) 0.9207(4) 0.0434(15) Uani 1 1 d . . .
H9 H 0.7725 -0.0001 0.9364 0.052 Uiso 1 1 calc R . .
C10 C 0.7819(6) 0.0722(6) 0.8173(4) 0.0453(15) Uani 1 1 d . . .
H10 H 0.7500 -0.0157 0.7655 0.054 Uiso 1 1 calc R . .
C11 C 0.8176(6) 0.1936(6) 0.7915(4) 0.0341(13) Uani 1 1 d . . .
C12 C 0.8613(6) 0.3208(6) 0.8730(4) 0.0375(13) Uani 1 1 d . . .
H12 H 0.8866 0.4055 0.8599 0.045 Uiso 1 1 calc R . .
C13 C 0.8668(6) 0.3201(6) 0.9729(4) 0.0369(13) Uani 1 1 d . . .
H13 H 0.8948 0.4062 1.0261 0.044 Uiso 1 1 calc R . .
C14 C 0.8130(6) 0.1865(6) 0.6822(4) 0.0415(14) Uani 1 1 d . . .
H14 H 0.7462 0.1030 0.6310 0.050 Uiso 1 1 calc R . .
C15 C 0.8962(6) 0.2891(6) 0.6514(4) 0.0444(15) Uani 1 1 d . . .
H15 H 0.9637 0.3730 0.7019 0.053 Uiso 1 1 calc R . .
C16 C 0.8885(6) 0.2789(6) 0.5419(4) 0.0421(14) Uani 1 1 d . . .
C17 C 0.7565(6) 0.2167(6) 0.4712(4) 0.0467(15) Uani 1 1 d . . .
H17 H 0.6673 0.1825 0.4922 0.056 Uiso 1 1 calc R . .
C18 C 1.0135(7) 0.3353(8) 0.5064(5) 0.075(2) Uani 1 1 d . . .
H18 H 1.1053 0.3848 0.5525 0.090 Uiso 1 1 calc R . .
C19 C 1.0047(7) 0.3192(8) 0.4018(5) 0.075(2) Uani 1 1 d . . .
H19 H 1.0921 0.3570 0.3796 0.090 Uiso 1 1 calc R . .
C20 C 0.7559(7) 0.2049(6) 0.3683(4) 0.0475(15) Uani 1 1 d . . .
H20 H 0.6648 0.1608 0.3215 0.057 Uiso 1 1 calc R . .
C21 C 0.8408(6) -0.0754(6) 1.1284(5) 0.0436(15) Uani 1 1 d . . .
H21 H 0.9430 -0.0258 1.1524 0.052 Uiso 1 1 calc R . .
C22 C 0.7814(6) -0.2223(6) 1.0965(5) 0.0438(15) Uani 1 1 d . . .
H22 H 0.8435 -0.2682 1.1002 0.053 Uiso 1 1 calc R . .
C23 C 0.6301(6) -0.3004(5) 1.0594(4) 0.0297(12) Uani 1 1 d . . .
C24 C 0.5472(6) -0.2226(5) 1.0606(4) 0.0364(13) Uani 1 1 d . . .
H24 H 0.4444 -0.2693 1.0385 0.044 Uiso 1 1 calc R . .
C25 C 0.6134(6) -0.0769(5) 1.0940(4) 0.0342(13) Uani 1 1 d . . .
H25 H 0.5534 -0.0282 1.0939 0.041 Uiso 1 1 calc R . .
C26 C 0.5695(5) -0.4567(5) 1.0196(4) 0.0366(13) Uani 1 1 d . . .
H26 H 0.6369 -0.4972 1.0229 0.044 Uiso 1 1 calc R . .
I1' I 0.6167(18) 0.840(2) 1.385(3) 0.089(4) Uani 0.21(4) 1 d P A 2
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'
I I -0.4742 1.8119 '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
O2 Zn1 O1 137.32(16) 1_655 .
O2 Zn1 N2 131.48(15) 1_655 .
O1 Zn1 N2 90.99(16) . .
O2 Zn1 N1 90.97(14) 1_655 .
O1 Zn1 N1 91.54(15) . .
N2 Zn1 N1 92.07(15) . .
O2 Zn1 N3 89.09(15) 1_655 1_556
O1 Zn1 N3 86.82(16) . 1_556
N2 Zn1 N3 89.67(16) . 1_556
N1 Zn1 N3 177.62(16) . 1_556
O2 Zn1 O3 81.65(15) 1_655 .
O1 Zn1 O3 55.85(15) . .
N2 Zn1 O3 146.83(15) . .
N1 Zn1 O3 88.48(15) . .
N3 Zn1 O3 89.18(16) 1_556 .
C9 N1 C13 116.2(4) . .
C9 N1 Zn1 124.6(3) . .
C13 N1 Zn1 119.1(3) . .
C21 N2 C25 116.4(4) . .
C21 N2 Zn1 122.8(3) . .
C25 N2 Zn1 120.7(3) . .
C19 N3 C20 116.2(5) . .
C19 N3 Zn1 124.5(4) . 1_554
C20 N3 Zn1 119.3(4) . 1_554
C7 O1 Zn1 98.1(4) . .
C8 O2 Zn1 111.6(3) . 1_455
C7 O3 Zn1 83.2(4) . .
C6 C1 C2 120.8(5) . .
C6 C1 I1' 116.8(6) . .
C2 C1 I1' 122.2(6) . .
C6 C1 I1 118.9(4) . .
C2 C1 I1 120.1(4) . .
C1 C2 C3 119.5(5) . .
C1 C2 H2 120.2 . .
C3 C2 H2 120.2 . .
C4 C3 C2 119.5(5) . .
C4 C3 C8 119.4(5) . .
C2 C3 C8 121.1(5) . .
C3 C4 C5 120.8(5) . .
C3 C4 H4 119.6 . .
C5 C4 H4 119.6 . .
C4 C5 C6 119.5(5) . .
C4 C5 C7 120.6(5) . .
C6 C5 C7 119.8(5) . .
C1 C6 C5 119.7(5) . .
C1 C6 H6 120.1 . .
C5 C6 H6 120.1 . .
O1 C7 O3 122.1(5) . .
O1 C7 C5 120.0(5) . .
O3 C7 C5 117.9(6) . .
O4 C8 O2 124.0(5) . .
O4 C8 C3 118.8(5) . .
O2 C8 C3 117.1(5) . .
N1 C9 C10 123.6(5) . .
N1 C9 H9 118.2 . .
C10 C9 H9 118.2 . .
C11 C10 C9 119.6(5) . .
C11 C10 H10 120.2 . .
C9 C10 H10 120.2 . .
C10 C11 C12 116.9(5) . .
C10 C11 C14 120.7(5) . .
C12 C11 C14 122.4(5) . .
C13 C12 C11 119.3(5) . .
C13 C12 H12 120.3 . .
C11 C12 H12 120.3 . .
N1 C13 C12 124.3(5) . .
N1 C13 H13 117.9 . .
C12 C13 H13 117.9 . .
C15 C14 C11 125.3(5) . .
C15 C14 H14 117.4 . .
C11 C14 H14 117.4 . .
C14 C15 C16 123.9(5) . .
C14 C15 H15 118.1 . .
C16 C15 H15 118.1 . .
C18 C16 C17 116.5(5) . .
C18 C16 C15 121.3(5) . .
C17 C16 C15 122.2(5) . .
C16 C17 C20 119.8(5) . .
C16 C17 H17 120.1 . .
C20 C17 H17 120.1 . .
C16 C18 C19 120.4(6) . .
C16 C18 H18 119.8 . .
C19 C18 H18 119.8 . .
N3 C19 C18 123.1(6) . .
N3 C19 H19 118.4 . .
C18 C19 H19 118.4 . .
N3 C20 C17 123.8(5) . .
N3 C20 H20 118.1 . .
C17 C20 H20 118.1 . .
N2 C21 C22 123.8(5) . .
N2 C21 H21 118.1 . .
C22 C21 H21 118.1 . .
C23 C22 C21 120.1(5) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C24 C23 C22 115.5(5) . .
C24 C23 C26 125.0(5) . .
C22 C23 C26 119.5(5) . .
C25 C24 C23 121.2(5) . .
C25 C24 H24 119.4 . .
C23 C24 H24 119.4 . .
N2 C25 C24 122.9(5) . .
N2 C25 H25 118.5 . .
C24 C25 H25 118.5 . .
C26 C26 C23 126.1(7) 2_647 .
C26 C26 H26 116.9 2_647 .
C23 C26 H26 116.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O2 2.034(4) 1_655
Zn1 O1 2.154(4) .
Zn1 N2 2.156(4) .
Zn1 N1 2.196(4) .
Zn1 N3 2.230(4) 1_556
Zn1 O3 2.472(4) .
I1 C1 2.106(6) .
N1 C9 1.330(6) .
N1 C13 1.336(6) .
N2 C21 1.320(6) .
N2 C25 1.337(6) .
N3 C19 1.321(7) .
N3 C20 1.327(7) .
N3 Zn1 2.230(4) 1_554
O1 C7 1.246(7) .
O2 C8 1.261(6) .
O2 Zn1 2.034(3) 1_455
O3 C7 1.251(7) .
O4 C8 1.215(6) .
C1 C6 1.379(7) .
C1 C2 1.386(7) .
C1 I1' 2.054(15) .
C2 C3 1.391(7) .
C2 H2 0.9300 .
C3 C4 1.383(7) .
C3 C8 1.513(7) .
C4 C5 1.385(6) .
C4 H4 0.9300 .
C5 C6 1.387(7) .
C5 C7 1.501(7) .
C6 H6 0.9300 .
C9 C10 1.384(7) .
C9 H9 0.9300 .
C10 C11 1.384(7) .
C10 H10 0.9300 .
C11 C12 1.390(7) .
C11 C14 1.478(7) .
C12 C13 1.371(7) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C15 1.319(7) .
C14 H14 0.9300 .
C15 C16 1.469(7) .
C15 H15 0.9300 .
C16 C18 1.364(8) .
C16 C17 1.369(7) .
C17 C20 1.382(7) .
C17 H17 0.9300 .
C18 C19 1.390(8) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.389(7) .
C21 H21 0.9300 .
C22 C23 1.383(7) .
C22 H22 0.9300 .
C23 C24 1.377(7) .
C23 C26 1.477(7) .
C24 C25 1.376(7) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C26 1.303(10) 2_647
C26 H26 0.9300 .
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_4
O2 Zn1 N1 C9 122.9(4) 1_655 .
O1 Zn1 N1 C9 -99.7(4) . .
N2 Zn1 N1 C9 -8.6(4) . .
O3 Zn1 N1 C9 -155.5(4) . .
O2 Zn1 N1 C13 -55.2(4) 1_655 .
O1 Zn1 N1 C13 82.2(4) . .
N2 Zn1 N1 C13 173.2(4) . .
O3 Zn1 N1 C13 26.4(4) . .
O2 Zn1 N2 C21 5.4(5) 1_655 .
O1 Zn1 N2 C21 -169.9(4) . .
N1 Zn1 N2 C21 98.5(4) . .
N3 Zn1 N2 C21 -83.1(4) 1_556 .
O3 Zn1 N2 C21 -171.1(4) . .
O2 Zn1 N2 C25 -170.5(3) 1_655 .
O1 Zn1 N2 C25 14.2(4) . .
N1 Zn1 N2 C25 -77.3(4) . .
N3 Zn1 N2 C25 101.1(4) 1_556 .
O3 Zn1 N2 C25 13.1(5) . .
O2 Zn1 O1 C7 1.1(4) 1_655 .
N2 Zn1 O1 C7 175.9(3) . .
N1 Zn1 O1 C7 -92.0(3) . .
N3 Zn1 O1 C7 86.3(3) 1_556 .
O3 Zn1 O1 C7 -4.9(3) . .
O2 Zn1 O3 C7 -171.1(3) 1_655 .
O1 Zn1 O3 C7 4.9(3) . .
N2 Zn1 O3 C7 6.3(5) . .
N1 Zn1 O3 C7 97.7(3) . .
N3 Zn1 O3 C7 -81.9(3) 1_556 .
C6 C1 C2 C3 3.3(8) . .
I1' C1 C2 C3 -172.1(17) . .
I1 C1 C2 C3 178.6(4) . .
C1 C2 C3 C4 -0.1(7) . .
C1 C2 C3 C8 -180.0(5) . .
C2 C3 C4 C5 -2.6(7) . .
C8 C3 C4 C5 177.2(4) . .
C3 C4 C5 C6 2.2(7) . .
C3 C4 C5 C7 -176.0(5) . .
C2 C1 C6 C5 -3.7(8) . .
I1' C1 C6 C5 171.9(16) . .
I1 C1 C6 C5 -179.1(4) . .
C4 C5 C6 C1 0.9(7) . .
C7 C5 C6 C1 179.2(5) . .
Zn1 O1 C7 O3 9.5(6) . .
Zn1 O1 C7 C5 -171.2(4) . .
Zn1 O3 C7 O1 -8.2(5) . .
Zn1 O3 C7 C5 172.4(4) . .
C4 C5 C7 O1 -13.4(8) . .
C6 C5 C7 O1 168.4(5) . .
C4 C5 C7 O3 166.0(5) . .
C6 C5 C7 O3 -12.2(7) . .
Zn1 O2 C8 O4 4.1(7) 1_455 .
Zn1 O2 C8 C3 -174.1(3) 1_455 .
C4 C3 C8 O4 10.2(8) . .
C2 C3 C8 O4 -169.9(5) . .
C4 C3 C8 O2 -171.5(4) . .
C2 C3 C8 O2 8.4(7) . .
C13 N1 C9 C10 -1.0(8) . .
Zn1 N1 C9 C10 -179.2(4) . .
N1 C9 C10 C11 2.0(9) . .
C9 C10 C11 C12 -1.3(8) . .
C9 C10 C11 C14 176.8(5) . .
C10 C11 C12 C13 -0.1(8) . .
C14 C11 C12 C13 -178.2(5) . .
C9 N1 C13 C12 -0.5(8) . .
Zn1 N1 C13 C12 177.8(4) . .
C11 C12 C13 N1 1.1(8) . .
C10 C11 C14 C15 -151.0(6) . .
C12 C11 C14 C15 27.1(9) . .
C11 C14 C15 C16 -179.8(5) . .
C14 C15 C16 C18 -141.3(7) . .
C14 C15 C16 C17 40.8(9) . .
C18 C16 C17 C20 4.5(9) . .
C15 C16 C17 C20 -177.5(6) . .
C17 C16 C18 C19 -4.7(11) . .
C15 C16 C18 C19 177.3(7) . .
C20 N3 C19 C18 2.2(11) . .
Zn1 N3 C19 C18 179.9(6) 1_554 .
C16 C18 C19 N3 1.4(13) . .
C19 N3 C20 C17 -2.4(9) . .
Zn1 N3 C20 C17 179.8(5) 1_554 .
C16 C17 C20 N3 -1.1(10) . .
C25 N2 C21 C22 1.6(8) . .
Zn1 N2 C21 C22 -174.4(4) . .
N2 C21 C22 C23 0.6(9) . .
C21 C22 C23 C24 -2.3(8) . .
C21 C22 C23 C26 176.2(5) . .
C22 C23 C24 C25 1.9(8) . .
C26 C23 C24 C25 -176.5(5) . .
C21 N2 C25 C24 -2.1(8) . .
Zn1 N2 C25 C24 174.1(4) . .
C23 C24 C25 N2 0.3(8) . .
C24 C23 C26 C26 -0.1(10) . 2_647
C22 C23 C26 C26 -178.4(7) . 2_647
