#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/19/4501908.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_4501908
loop_
_publ_author_name
'Liu, Hai-Yan'
'Wu, Hua'
'Ma, Jian-Fang'
'Liu, Ying-Ying'
'Liu, Bo'
'Yang, Jin'
_publ_section_title
;
 Syntheses, Structures, and Photoluminescence of Zinc(II) Coordination
 Polymers Based on Carboxylates and Flexible Bis-[(pyridyl)-benzimidazole]
 Ligands
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4795
_journal_paper_doi               10.1021/cg100688z
_journal_volume                  10
_journal_year                    2010
_chemical_formula_moiety         'C52 H50 N6 O10 Zn2'
_chemical_formula_sum            'C52 H50 N6 O10 Zn2'
_chemical_formula_weight         1049.72
_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                107.783(5)
_cell_angle_beta                 95.133(5)
_cell_angle_gamma                96.859(5)
_cell_formula_units_Z            1
_cell_length_a                   10.156(5)
_cell_length_b                   10.933(5)
_cell_length_c                   12.072(5)
_cell_measurement_reflns_used    5714
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.3
_cell_measurement_theta_min      1.8
_cell_volume                     1255.9(10)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.831
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_sigmaI/netI    0.1169
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9709
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.30
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    1.018
_exptl_absorpt_correction_T_max  0.771
_exptl_absorpt_correction_T_min  0.640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.789
_refine_diff_density_min         -0.363
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.920
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         5714
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.928
_refine_ls_R_factor_all          0.1099
_refine_ls_R_factor_gt           0.0545
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0634P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1162
_refine_ls_wR_factor_ref         0.1292
_reflns_number_gt                3180
_reflns_number_total             5714
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg100688z_si_002.cif
_cod_data_source_block           6
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4501908
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 0.52261(5) 0.17900(4) 0.12159(4) 0.03535(16) Uani 1 1 d . . .
C2 C 0.1364(4) 0.0049(3) -0.0099(3) 0.0342(8) Uani 1 1 d . . .
O4 O 0.3541(2) 0.1191(2) 0.0103(2) 0.0410(6) Uani 1 1 d . . .
N3 N 0.6223(3) 0.5667(3) 0.1386(3) 0.0456(8) Uani 1 1 d . . .
N2 N 0.4307(4) 0.3360(3) 0.2481(3) 0.0494(9) Uani 1 1 d . . .
O3 O 0.3228(3) -0.0979(2) -0.0525(3) 0.0511(8) Uani 1 1 d . . .
C10 C 0.6949(4) 0.5201(3) 0.0464(4) 0.0453(10) Uani 1 1 d . . .
O2 O 0.6590(4) 0.2011(3) 0.3408(3) 0.0765(10) Uani 1 1 d . . .
C4 C -0.0883(4) -0.1113(3) -0.0602(3) 0.0426(9) Uani 1 1 d . . .
H4 H -0.1475 -0.1867 -0.1013 0.051 Uiso 1 1 calc R . .
C1 C 0.2822(4) 0.0079(3) -0.0188(3) 0.0361(9) Uani 1 1 d . . .
C9 C 0.6808(4) 0.3853(3) 0.0234(3) 0.0407(9) Uani 1 1 d . . .
C3 C 0.0468(4) -0.1065(3) -0.0698(3) 0.0433(10) Uani 1 1 d . . .
H3 H 0.0776 -0.1789 -0.1170 0.052 Uiso 1 1 calc R . .
N1 N 0.6005(3) 0.3525(3) 0.0994(3) 0.0389(8) Uani 1 1 d . . .
O1 O 0.4843(4) 0.0706(3) 0.2236(3) 0.0611(9) Uani 1 1 d . . .
C15 C 0.5681(4) 0.4624(3) 0.1658(3) 0.0410(9) Uani 1 1 d . . .
C6 C 0.5309(5) 0.0546(4) 0.4138(3) 0.0484(11) Uani 1 1 d . . .
C11 C 0.7689(5) 0.5820(4) -0.0163(4) 0.0672(14) Uani 1 1 d . . .
H11 H 0.7770 0.6715 -0.0006 0.081 Uiso 1 1 calc R . .
C16 C 0.4798(4) 0.4591(4) 0.2561(3) 0.0442(10) Uani 1 1 d . . .
C17 C 0.4474(5) 0.5641(4) 0.3421(4) 0.0636(13) Uani 1 1 d . . .
H17 H 0.4846 0.6485 0.3491 0.076 Uiso 1 1 calc R . .
C14 C 0.7419(4) 0.3087(4) -0.0658(4) 0.0522(11) Uani 1 1 d . . .
H14 H 0.7326 0.2189 -0.0832 0.063 Uiso 1 1 calc R . .
C21 C 0.6125(5) 0.7060(3) 0.1878(4) 0.0603(13) Uani 1 1 d . B .
H21A H 0.5244 0.7149 0.2114 0.072 Uiso 1 1 calc R . .
H21B H 0.6229 0.7470 0.1277 0.072 Uiso 1 1 calc R . .
C5 C 0.5627(6) 0.1132(4) 0.3186(4) 0.0592(13) Uani 1 1 d . . .
C7 C 0.4191(5) -0.0376(4) 0.3946(4) 0.0547(12) Uani 1 1 d . . .
H7 H 0.3638 -0.0637 0.3231 0.066 Uiso 1 1 calc R . .
C19 C 0.3073(5) 0.4192(5) 0.4061(4) 0.0692(14) Uani 1 1 d . . .
H19 H 0.2456 0.4022 0.4540 0.083 Uiso 1 1 calc R . .
C13 C 0.8167(5) 0.3724(5) -0.1268(4) 0.0703(14) Uani 1 1 d . . .
H13 H 0.8598 0.3242 -0.1861 0.084 Uiso 1 1 calc R . .
C20 C 0.3478(5) 0.3193(4) 0.3219(4) 0.0619(13) Uani 1 1 d . . .
H20 H 0.3144 0.2345 0.3170 0.074 Uiso 1 1 calc R . .
C8 C 0.3882(5) -0.0917(4) 0.4804(4) 0.0555(12) Uani 1 1 d . . .
H8 H 0.3121 -0.1535 0.4664 0.067 Uiso 1 1 calc R . .
C12 C 0.8301(6) 0.5065(5) -0.1028(5) 0.0774(15) Uani 1 1 d . . .
H12 H 0.8817 0.5454 -0.1464 0.093 Uiso 1 1 calc R . .
C18 C 0.3597(6) 0.5418(5) 0.4169(4) 0.0741(15) Uani 1 1 d . . .
H18 H 0.3367 0.6112 0.4747 0.089 Uiso 1 1 calc R . .
C26 C 0.9140(14) 0.3712(16) 0.3695(14) 0.257(7) Uani 1 1 d D . .
C22 C 0.7202(6) 0.7769(5) 0.2952(7) 0.115(3) Uani 1 1 d . . .
H22A H 0.7113 0.8683 0.3190 0.138 Uiso 1 1 calc R A 1
H22B H 0.6971 0.7451 0.3588 0.138 Uiso 1 1 calc R A 1
C23 C 0.8576(15) 0.7691(14) 0.2870(14) 0.110(5) Uiso 0.548(13) 1 d PD B 1
C24 C 0.946(2) 0.8208(17) 0.4049(16) 0.179(8) Uiso 0.548(13) 1 d PD B 1
C25 C 0.9344(11) 0.9538(16) 0.476(2) 0.225(12) Uiso 0.548(13) 1 d PD . 1
O5 O 0.9153(18) 0.4423(14) 0.3137(13) 0.168(6) Uiso 0.548(13) 1 d P B 1
C23' C 0.8515(17) 0.8052(15) 0.2401(14) 0.096(5) Uiso 0.452(13) 1 d P B 2
C24' C 0.9669(18) 0.8852(18) 0.3557(16) 0.123(6) Uiso 0.452(13) 1 d P B 2
C25' C 0.9467(19) 1.0143(18) 0.3901(16) 0.133(7) Uiso 0.452(13) 1 d P B 2
O5' O 0.8131(13) 0.4390(10) 0.3503(10) 0.116(5) Uiso 0.452(13) 1 d PD B 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'
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
O1 Zn1 O4 98.49(13) . .
O1 Zn1 O3 98.29(12) . 2_655
O4 Zn1 O3 112.20(11) . 2_655
O1 Zn1 N1 150.99(13) . .
O4 Zn1 N1 104.17(11) . .
O3 Zn1 N1 89.75(11) 2_655 .
O1 Zn1 N2 87.22(12) . .
O4 Zn1 N2 92.14(12) . .
O3 Zn1 N2 153.73(12) 2_655 .
N1 Zn1 N2 74.20(12) . .
C3 C2 C4 118.7(3) . 2
C3 C2 C1 120.2(3) . .
C4 C2 C1 121.1(3) 2 .
C1 O4 Zn1 126.5(2) . .
C15 N3 C10 106.6(3) . .
C15 N3 C21 131.2(4) . .
C10 N3 C21 122.2(3) . .
C20 N2 C16 117.8(3) . .
C20 N2 Zn1 126.7(3) . .
C16 N2 Zn1 115.1(3) . .
C1 O3 Zn1 141.7(3) . 2_655
C11 C10 N3 131.8(4) . .
C11 C10 C9 122.2(4) . .
N3 C10 C9 106.0(3) . .
C3 C4 C2 120.7(4) . 2
C3 C4 H4 119.7 . .
C2 C4 H4 119.7 2 .
O3 C1 O4 125.8(3) . .
O3 C1 C2 117.2(3) . .
O4 C1 C2 117.1(3) . .
N1 C9 C14 131.1(3) . .
N1 C9 C10 108.5(3) . .
C14 C9 C10 120.4(4) . .
C4 C3 C2 120.7(3) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C15 N1 C9 106.3(3) . .
C15 N1 Zn1 119.2(3) . .
C9 N1 Zn1 134.4(2) . .
C5 O1 Zn1 110.5(3) . .
N1 C15 N3 112.5(4) . .
N1 C15 C16 119.4(3) . .
N3 C15 C16 128.1(3) . .
C8 C6 C7 118.9(4) 2_656 .
C8 C6 C5 121.3(5) 2_656 .
C7 C6 C5 119.8(4) . .
C12 C11 C10 117.2(4) . .
C12 C11 H11 121.4 . .
C10 C11 H11 121.4 . .
N2 C16 C17 120.9(4) . .
N2 C16 C15 111.5(3) . .
C17 C16 C15 127.6(4) . .
C18 C17 C16 119.3(4) . .
C18 C17 H17 120.4 . .
C16 C17 H17 120.4 . .
C13 C14 C9 116.7(4) . .
C13 C14 H14 121.7 . .
C9 C14 H14 121.7 . .
N3 C21 C22 112.1(4) . .
N3 C21 H21A 109.2 . .
C22 C21 H21A 109.2 . .
N3 C21 H21B 109.2 . .
C22 C21 H21B 109.2 . .
H21A C21 H21B 107.9 . .
O2 C5 O1 125.1(4) . .
O2 C5 C6 118.4(5) . .
O1 C5 C6 116.5(5) . .
C6 C7 C8 120.6(4) . .
C6 C7 H7 119.7 . .
C8 C7 H7 119.7 . .
C18 C19 C20 118.1(5) . .
C18 C19 H19 121.0 . .
C20 C19 H19 121.0 . .
C14 C13 C12 122.4(4) . .
C14 C13 H13 118.8 . .
C12 C13 H13 118.8 . .
N2 C20 C19 124.2(4) . .
N2 C20 H20 117.9 . .
C19 C20 H20 117.9 . .
C6 C8 C7 120.5(4) 2_656 .
C6 C8 H8 119.8 2_656 .
C7 C8 H8 119.8 . .
C11 C12 C13 121.2(5) . .
C11 C12 H12 119.4 . .
C13 C12 H12 119.4 . .
C19 C18 C17 119.7(4) . .
C19 C18 H18 120.2 . .
C17 C18 H18 120.2 . .
O5 C26 O5' 53.6(10) . .
C23 C22 C21 120.6(8) . .
C23 C22 C23' 29.7(7) . .
C21 C22 C23' 104.6(8) . .
C23 C22 H22A 107.2 . .
C21 C22 H22A 107.2 . .
C23' C22 H22A 90.8 . .
C23 C22 H22B 107.2 . .
C21 C22 H22B 107.2 . .
C23' C22 H22B 136.7 . .
H22A C22 H22B 106.8 . .
C22 C23 C24 113.8(13) . .
C25 C24 C23 115.3(14) . .
C24 C25 C25 116(2) . 2_776
C22 C23' C24' 104.7(11) . .
C25' C24' C23' 106.6(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.985(3) .
Zn1 O4 1.987(3) .
Zn1 O3 2.015(2) 2_655
Zn1 N1 2.071(3) .
Zn1 N2 2.278(3) .
C2 C3 1.384(5) .
C2 C4 1.384(5) 2
C2 C1 1.491(5) .
O4 C1 1.271(4) .
N3 C15 1.350(5) .
N3 C10 1.389(5) .
N3 C21 1.475(4) .
N2 C20 1.317(5) .
N2 C16 1.349(5) .
O3 C1 1.237(4) .
O3 Zn1 2.015(2) 2_655
C10 C11 1.376(6) .
C10 C9 1.400(5) .
O2 C5 1.234(6) .
C4 C3 1.384(5) .
C4 C2 1.384(5) 2
C4 H4 0.9300 .
C9 N1 1.378(5) .
C9 C14 1.392(5) .
C3 H3 0.9300 .
N1 C15 1.322(4) .
O1 C5 1.261(6) .
C15 C16 1.478(6) .
C6 C8 1.374(6) 2_656
C6 C7 1.377(6) .
C6 C5 1.517(6) .
C11 C12 1.368(7) .
C11 H11 0.9300 .
C16 C17 1.388(5) .
C17 C18 1.377(7) .
C17 H17 0.9300 .
C14 C13 1.375(6) .
C14 H14 0.9300 .
C21 C22 1.551(7) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C7 C8 1.381(6) .
C7 H7 0.9300 .
C19 C18 1.344(7) .
C19 C20 1.377(6) .
C19 H19 0.9300 .
C13 C12 1.392(6) .
C13 H13 0.9300 .
C20 H20 0.9300 .
C8 C6 1.374(6) 2_656
C8 H8 0.9300 .
C12 H12 0.9300 .
C18 H18 0.9300 .
C26 O5 1.174(19) .
C26 O5' 1.378(13) .
C22 C23 1.418(15) .
C22 C23' 1.581(18) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.521(9) .
C24 C25 1.473(10) .
C25 C25 1.521(10) 2_776
C23' C24' 1.67(2) .
C24' C25' 1.39(2) .
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
O1 Zn1 O4 C1 -29.1(3) . .
O3 Zn1 O4 C1 73.5(3) 2_655 .
N1 Zn1 O4 C1 169.1(3) . .
N2 Zn1 O4 C1 -116.6(3) . .
O1 Zn1 N2 C20 -21.0(4) . .
O4 Zn1 N2 C20 77.4(4) . .
O3 Zn1 N2 C20 -124.1(4) 2_655 .
N1 Zn1 N2 C20 -178.4(4) . .
O1 Zn1 N2 C16 150.7(3) . .
O4 Zn1 N2 C16 -110.9(3) . .
O3 Zn1 N2 C16 47.6(4) 2_655 .
N1 Zn1 N2 C16 -6.7(3) . .
C15 N3 C10 C11 179.4(5) . .
C21 N3 C10 C11 0.3(7) . .
C15 N3 C10 C9 -0.6(4) . .
C21 N3 C10 C9 -179.7(3) . .
Zn1 O3 C1 O4 -20.4(7) 2_655 .
Zn1 O3 C1 C2 160.5(3) 2_655 .
Zn1 O4 C1 O3 -50.1(5) . .
Zn1 O4 C1 C2 129.0(3) . .
C3 C2 C1 O3 -19.4(5) . .
C4 C2 C1 O3 158.9(3) 2 .
C3 C2 C1 O4 161.5(3) . .
C4 C2 C1 O4 -20.2(5) 2 .
C11 C10 C9 N1 -179.4(4) . .
N3 C10 C9 N1 0.6(4) . .
C11 C10 C9 C14 -0.3(7) . .
N3 C10 C9 C14 179.7(4) . .
C2 C4 C3 C2 -0.3(6) 2 .
C4 C2 C3 C4 0.3(6) 2 .
C1 C2 C3 C4 178.6(3) . .
C14 C9 N1 C15 -179.3(4) . .
C10 C9 N1 C15 -0.3(4) . .
C14 C9 N1 Zn1 -2.1(7) . .
C10 C9 N1 Zn1 176.9(3) . .
O1 Zn1 N1 C15 -49.5(4) . .
O4 Zn1 N1 C15 90.8(3) . .
O3 Zn1 N1 C15 -156.3(3) 2_655 .
N2 Zn1 N1 C15 2.6(3) . .
O1 Zn1 N1 C9 133.6(4) . .
O4 Zn1 N1 C9 -86.1(4) . .
O3 Zn1 N1 C9 26.8(4) 2_655 .
N2 Zn1 N1 C9 -174.3(4) . .
O4 Zn1 O1 C5 -164.1(3) . .
O3 Zn1 O1 C5 81.9(3) 2_655 .
N1 Zn1 O1 C5 -22.8(4) . .
N2 Zn1 O1 C5 -72.3(3) . .
C9 N1 C15 N3 -0.1(4) . .
Zn1 N1 C15 N3 -177.8(2) . .
C9 N1 C15 C16 179.2(4) . .
Zn1 N1 C15 C16 1.5(5) . .
C10 N3 C15 N1 0.4(4) . .
C21 N3 C15 N1 179.4(4) . .
C10 N3 C15 C16 -178.7(4) . .
C21 N3 C15 C16 0.2(7) . .
N3 C10 C11 C12 179.5(5) . .
C9 C10 C11 C12 -0.5(7) . .
C20 N2 C16 C17 2.2(6) . .
Zn1 N2 C16 C17 -170.3(3) . .
C20 N2 C16 C15 -178.4(4) . .
Zn1 N2 C16 C15 9.1(4) . .
N1 C15 C16 N2 -7.3(5) . .
N3 C15 C16 N2 171.8(4) . .
N1 C15 C16 C17 172.1(4) . .
N3 C15 C16 C17 -8.8(7) . .
N2 C16 C17 C18 -2.6(7) . .
C15 C16 C17 C18 178.1(4) . .
N1 C9 C14 C13 179.9(4) . .
C10 C9 C14 C13 1.0(6) . .
C15 N3 C21 C22 87.4(6) . .
C10 N3 C21 C22 -93.8(5) . .
Zn1 O1 C5 O2 -7.2(5) . .
Zn1 O1 C5 C6 170.0(3) . .
C8 C6 C5 O2 -4.3(6) 2_656 .
C7 C6 C5 O2 175.8(4) . .
C8 C6 C5 O1 178.3(4) 2_656 .
C7 C6 C5 O1 -1.6(5) . .
C8 C6 C7 C8 0.3(6) 2_656 .
C5 C6 C7 C8 -179.7(3) . .
C9 C14 C13 C12 -0.9(7) . .
C16 N2 C20 C19 0.6(7) . .
Zn1 N2 C20 C19 172.1(4) . .
C18 C19 C20 N2 -2.8(8) . .
C6 C7 C8 C6 -0.3(6) . 2_656
C10 C11 C12 C13 0.6(8) . .
C14 C13 C12 C11 0.1(8) . .
C20 C19 C18 C17 2.2(8) . .
C16 C17 C18 C19 0.3(8) . .
N3 C21 C22 C23 53.3(11) . .
N3 C21 C22 C23' 80.7(8) . .
C21 C22 C23 C24 -168.6(10) . .
C23' C22 C23 C24 128(2) . .
C22 C23 C24 C25 -54(2) . .
C23 C24 C25 C25 -130(3) . 2_776
C23 C22 C23' C24' -54.2(17) . .
C21 C22 C23' C24' 178.5(8) . .
C22 C23' C24' C25' -81.5(16) . .
