#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:12:15 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180470 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/39/7213941.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_7213941
loop_
_publ_author_name
'Guo, Huadong'
'Guo, Xianmin'
'Zou, Hengye'
'Qi, Yanjuan'
'Chen, Ruizhan'
_publ_section_title
;
 Syntheses, structures and luminescent properties of seven metal--organic
 frameworks constructed with a rigid bis(imidazole) ligand and versatile
 carboxylate acids
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2176
_journal_paper_doi               10.1039/c3ce42339e
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C29 H26 N4 O6 Zn'
_chemical_formula_sum            'C29 H26 N4 O6 Zn'
_chemical_formula_weight         591.91
_chemical_melting_point          ?
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.2540(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.3903(12)
_cell_length_b                   13.8667(6)
_cell_length_c                   14.3593(6)
_cell_measurement_reflns_used    5370
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      1.61
_cell_volume                     5398.6(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0230
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14786
_diffrn_reflns_theta_full        26.12
_diffrn_reflns_theta_max         26.12
_diffrn_reflns_theta_min         1.50
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.961
_exptl_absorpt_correction_T_max  0.792
_exptl_absorpt_correction_T_min  0.760
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.819
_refine_diff_density_min         -0.326
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5370
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0340
_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)+(0.0478P)²+9.0991P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
_refine_ls_wR_factor_ref         0.0946
_reflns_number_gt                4623
_reflns_number_total             5370
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42339e.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      c2/c
_cod_database_code               7213941
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.24795(8) 0.11228(18) 0.52519(17) 0.0295(5) Uani 1 1 d .
H1 H 0.2734 0.1499 0.5164 0.035 Uiso 1 1 calc R
C2 C 0.20173(9) 0.10824(19) 0.46345(18) 0.0335(6) Uani 1 1 d .
H2 H 0.1895 0.1421 0.4053 0.040 Uiso 1 1 calc R
C3 C 0.20768(8) 0.01153(16) 0.58790(16) 0.0221(5) Uani 1 1 d .
H3 H 0.1997 -0.0329 0.6293 0.027 Uiso 1 1 calc R
C4 C 0.12525(8) 0.01665(16) 0.46599(16) 0.0220(5) Uani 1 1 d .
C5 C 0.11203(8) -0.07815(16) 0.47645(16) 0.0228(5) Uani 1 1 d .
H5 H 0.1357 -0.1238 0.5061 0.027 Uiso 1 1 calc R
C6 C 0.06285(8) -0.10308(15) 0.44188(15) 0.0208(4) Uani 1 1 d .
C7 C 0.02700(8) -0.03386(15) 0.39878(16) 0.0217(5) Uani 1 1 d .
C8 C 0.04103(8) 0.06059(16) 0.38897(17) 0.0245(5) Uani 1 1 d .
H8 H 0.0174 0.1066 0.3600 0.029 Uiso 1 1 calc R
C9 C 0.09043(8) 0.08623(16) 0.42242(17) 0.0254(5) Uani 1 1 d .
H9 H 0.1001 0.1493 0.4158 0.030 Uiso 1 1 calc R
C10 C 0.03971(8) -0.20189(15) 0.44230(16) 0.0224(5) Uani 1 1 d .
C11 C -0.01452(8) -0.17744(16) 0.39946(16) 0.0215(4) Uani 1 1 d .
C12 C -0.02151(8) -0.08037(16) 0.37230(16) 0.0213(4) Uani 1 1 d .
C13 C -0.06872(8) -0.04454(16) 0.32878(17) 0.0237(5) Uani 1 1 d .
H13 H -0.0734 0.0202 0.3116 0.028 Uiso 1 1 calc R
C14 C -0.10872(8) -0.10654(16) 0.31130(16) 0.0243(5) Uani 1 1 d .
H14 H -0.1405 -0.0840 0.2812 0.029 Uiso 1 1 calc R
C15 C -0.10097(8) -0.20256(16) 0.33914(17) 0.0237(5) Uani 1 1 d .
C16 C -0.05429(8) -0.23916(16) 0.38439(17) 0.0245(5) Uani 1 1 d .
H16 H -0.0499 -0.3033 0.4040 0.029 Uiso 1 1 calc R
C17 C 0.05558(8) -0.27152(17) 0.37412(18) 0.0298(5) Uani 1 1 d .
H17A H 0.0899 -0.2868 0.4014 0.045 Uiso 1 1 calc R
H17B H 0.0504 -0.2417 0.3115 0.045 Uiso 1 1 calc R
H17C H 0.0364 -0.3296 0.3668 0.045 Uiso 1 1 calc R
C18 C 0.05159(9) -0.24522(18) 0.54461(18) 0.0307(5) Uani 1 1 d .
H18A H 0.0862 -0.2593 0.5684 0.046 Uiso 1 1 calc R
H18B H 0.0331 -0.3036 0.5421 0.046 Uiso 1 1 calc R
H18C H 0.0430 -0.2000 0.5875 0.046 Uiso 1 1 calc R
C19 C -0.18777(8) -0.25455(17) 0.32920(18) 0.0282(5) Uani 1 1 d .
H19 H -0.1993 -0.1991 0.3516 0.034 Uiso 1 1 calc R
C20 C -0.21285(8) -0.33782(17) 0.30143(18) 0.0272(5) Uani 1 1 d .
H20 H -0.2450 -0.3495 0.3020 0.033 Uiso 1 1 calc R
C21 C -0.14106(8) -0.35782(16) 0.28316(18) 0.0275(5) Uani 1 1 d .
H21 H -0.1141 -0.3850 0.2687 0.033 Uiso 1 1 calc R
C22 C 0.26167(8) 0.11814(16) 0.85117(16) 0.0244(5) Uani 1 1 d .
C23 C 0.25576(8) 0.18598(16) 0.92872(16) 0.0239(5) Uani 1 1 d .
C24 C 0.20903(8) 0.20960(18) 0.93324(18) 0.0298(5) Uani 1 1 d .
H24 H 0.1814 0.1828 0.8887 0.036 Uiso 1 1 calc R
C25 C 0.29659(8) 0.22719(18) 0.99628(18) 0.0303(5) Uani 1 1 d .
H25 H 0.3281 0.2119 0.9939 0.036 Uiso 1 1 calc R
C26 C 0.39324(8) 0.13192(16) 0.70358(17) 0.0259(5) Uani 1 1 d .
C27 C 0.44850(8) 0.12971(16) 0.72667(17) 0.0252(5) Uani 1 1 d .
C28 C 0.47452(9) 0.04409(18) 0.7390(3) 0.0459(8) Uani 1 1 d .
H28 H 0.4577 -0.0142 0.7325 0.055 Uiso 1 1 calc R
C29 C 0.47463(8) 0.21532(16) 0.73822(16) 0.0229(5) Uani 1 1 d .
H29 H 0.4577 0.2737 0.7300 0.027 Uiso 1 1 calc R
N1 N 0.25156(6) 0.05201(13) 0.60320(14) 0.0216(4) Uani 1 1 d .
N2 N 0.17628(7) 0.04388(13) 0.50377(14) 0.0226(4) Uani 1 1 d .
N3 N -0.14188(7) -0.26826(13) 0.31778(14) 0.0243(4) Uani 1 1 d .
N8 N -0.18338(7) -0.40251(13) 0.27228(15) 0.0247(4) Uani 1 1 d .
O1 O 0.22967(6) 0.05985(12) 0.81220(12) 0.0308(4) Uani 1 1 d .
O2 O 0.30261(6) 0.12800(12) 0.82954(12) 0.0311(4) Uani 1 1 d .
O3 O 0.37055(6) 0.20796(13) 0.67805(14) 0.0370(4) Uani 1 1 d .
O4 O 0.37319(6) 0.05172(12) 0.71276(15) 0.0365(4) Uani 1 1 d .
OW1 O 0.33232(7) 0.32365(14) 0.79916(15) 0.0456(5) Uani 1 1 d .
OW2 O 0.4570(5) 0.0221(4) 0.4765(7) 0.182(5) Uani 0.50 1 d P
OW3 O 0.3842(4) -0.0043(7) 0.5005(6) 0.162(4) Uani 0.50 1 d P
Zn1 Zn 0.306868(9) 0.039819(17) 0.726176(18) 0.02048(9) 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 0.0000 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
C2 C1 N1 109.4(2) . .
C2 C1 H1 125.3 . .
N1 C1 H1 125.3 . .
C1 C2 N2 106.2(2) . .
C1 C2 H2 126.9 . .
N2 C2 H2 126.9 . .
N1 C3 N2 110.32(19) . .
N1 C3 H3 124.8 . .
N2 C3 H3 124.8 . .
C5 C4 C9 121.8(2) . .
C5 C4 N2 118.85(19) . .
C9 C4 N2 119.32(19) . .
C6 C5 C4 118.4(2) . .
C6 C5 H5 120.8 . .
C4 C5 H5 120.8 . .
C5 C6 C7 120.8(2) . .
C5 C6 C10 128.1(2) . .
C7 C6 C10 111.14(18) . .
C8 C7 C6 119.9(2) . .
C8 C7 C12 131.7(2) . .
C6 C7 C12 108.45(18) . .
C9 C8 C7 119.8(2) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C8 C9 C4 119.3(2) . .
C8 C9 H9 120.4 . .
C4 C9 H9 120.4 . .
C11 C10 C6 100.65(17) . .
C11 C10 C18 112.68(19) . .
C6 C10 C18 112.67(18) . .
C11 C10 C17 109.67(18) . .
C6 C10 C17 110.82(19) . .
C18 C10 C17 110.04(19) . .
C16 C11 C12 120.7(2) . .
C16 C11 C10 127.5(2) . .
C12 C11 C10 111.78(18) . .
C13 C12 C11 120.46(19) . .
C13 C12 C7 131.7(2) . .
C11 C12 C7 107.85(18) . .
C14 C13 C12 119.2(2) . .
C14 C13 H13 120.4 . .
C12 C13 H13 120.4 . .
C13 C14 C15 119.4(2) . .
C13 C14 H14 120.3 . .
C15 C14 H14 120.3 . .
C16 C15 C14 122.2(2) . .
C16 C15 N3 117.9(2) . .
C14 C15 N3 119.9(2) . .
C11 C16 C15 118.0(2) . .
C11 C16 H16 121.0 . .
C15 C16 H16 121.0 . .
C10 C17 H17A 109.5 . .
C10 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C10 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C10 C18 H18A 109.5 . .
C10 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C10 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C20 C19 N3 106.4(2) . .
C20 C19 H19 126.8 . .
N3 C19 H19 126.8 . .
C19 C20 N8 109.4(2) . .
C19 C20 H20 125.3 . .
N8 C20 H20 125.3 . .
N8 C21 N3 111.3(2) . .
N8 C21 H21 124.3 . .
N3 C21 H21 124.3 . .
O1 C22 O2 123.9(2) . .
O1 C22 C23 121.5(2) . .
O2 C22 C23 114.59(19) . .
C24 C23 C25 118.7(2) . .
C24 C23 C22 120.1(2) . .
C25 C23 C22 121.2(2) . .
C25 C24 C23 120.2(2) 7_557 .
C25 C24 H24 119.9 7_557 .
C23 C24 H24 119.9 . .
C24 C25 C23 121.1(2) 7_557 .
C24 C25 H25 119.5 7_557 .
C23 C25 H25 119.5 . .
O3 C26 O4 124.5(2) . .
O3 C26 C27 120.1(2) . .
O4 C26 C27 115.4(2) . .
C28 C27 C29 118.3(2) . .
C28 C27 C26 121.9(2) . .
C29 C27 C26 119.7(2) . .
C27 C28 C28 120.75(14) . 2_656
C27 C28 H28 119.6 . .
C28 C28 H28 119.6 2_656 .
C29 C29 C27 120.90(13) 2_656 .
C29 C29 H29 119.6 2_656 .
C27 C29 H29 119.6 . .
C3 N1 C1 106.44(18) . .
C3 N1 Zn1 124.51(15) . .
C1 N1 Zn1 128.44(15) . .
C3 N2 C2 107.58(19) . .
C3 N2 C4 125.11(19) . .
C2 N2 C4 127.29(19) . .
C21 N3 C19 107.09(18) . .
C21 N3 C15 124.41(19) . .
C19 N3 C15 128.49(19) . .
C21 N8 C20 105.82(19) . .
C21 N8 Zn1 121.08(15) . 8_445
C20 N8 Zn1 133.05(15) . 8_445
C22 O2 Zn1 112.20(14) . .
C26 O4 Zn1 123.83(15) . .
O2 Zn1 O4 107.48(7) . .
O2 Zn1 N1 114.21(7) . .
O4 Zn1 N1 115.74(8) . .
O2 Zn1 N8 112.12(8) . 8_546
O4 Zn1 N8 94.00(7) . 8_546
N1 Zn1 N8 111.60(8) . 8_546
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.349(3) .
C1 N1 1.377(3) .
C1 H1 0.9300 .
C2 N2 1.379(3) .
C2 H2 0.9300 .
C3 N1 1.324(3) .
C3 N2 1.348(3) .
C3 H3 0.9300 .
C4 C5 1.387(3) .
C4 C9 1.390(3) .
C4 N2 1.438(3) .
C5 C6 1.380(3) .
C5 H5 0.9300 .
C6 C7 1.402(3) .
C6 C10 1.520(3) .
C7 C8 1.388(3) .
C7 C12 1.465(3) .
C8 C9 1.387(3) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 C11 1.517(3) .
C10 C18 1.529(3) .
C10 C17 1.535(3) .
C11 C16 1.382(3) .
C11 C12 1.399(3) .
C12 C13 1.392(3) .
C13 C14 1.387(3) .
C13 H13 0.9300 .
C14 C15 1.389(3) .
C14 H14 0.9300 .
C15 C16 1.388(3) .
C15 N3 1.436(3) .
C16 H16 0.9300 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 C20 1.353(3) .
C19 N3 1.374(3) .
C19 H19 0.9300 .
C20 N8 1.374(3) .
C20 H20 0.9300 .
C21 N8 1.319(3) .
C21 N3 1.340(3) .
C21 H21 0.9300 .
C22 O1 1.221(3) .
C22 O2 1.296(3) .
C22 C23 1.505(3) .
C23 C24 1.386(3) .
C23 C25 1.394(3) .
C24 C25 1.383(3) 7_557
C24 H24 0.9300 .
C25 C24 1.383(3) 7_557
C25 H25 0.9300 .
C26 O3 1.233(3) .
C26 O4 1.274(3) .
C26 C27 1.504(3) .
C27 C28 1.382(3) .
C27 C29 1.384(3) .
C28 C28 1.387(5) 2_656
C28 H28 0.9300 .
C29 C29 1.379(4) 2_656
C29 H29 0.9300 .
N1 Zn1 1.9919(18) .
N8 Zn1 2.0078(19) 8_445
O2 Zn1 1.9543(16) .
O4 Zn1 1.9557(17) .
Zn1 N8 2.0078(19) 8_546
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_4
N1 C1 C2 N2 -0.3(3) .
C9 C4 C5 C6 0.3(3) .
N2 C4 C5 C6 178.6(2) .
C4 C5 C6 C7 -1.1(3) .
C4 C5 C6 C10 178.1(2) .
C5 C6 C7 C8 1.2(3) .
C10 C6 C7 C8 -178.2(2) .
C5 C6 C7 C12 -178.2(2) .
C10 C6 C7 C12 2.4(3) .
C6 C7 C8 C9 -0.4(3) .
C12 C7 C8 C9 178.8(2) .
C7 C8 C9 C4 -0.4(4) .
C5 C4 C9 C8 0.4(4) .
N2 C4 C9 C8 -177.8(2) .
C5 C6 C10 C11 177.2(2) .
C7 C6 C10 C11 -3.5(2) .
C5 C6 C10 C18 56.9(3) .
C7 C6 C10 C18 -123.8(2) .
C5 C6 C10 C17 -66.9(3) .
C7 C6 C10 C17 112.5(2) .
C6 C10 C11 C16 -178.0(2) .
C18 C10 C11 C16 -57.8(3) .
C17 C10 C11 C16 65.2(3) .
C6 C10 C11 C12 3.5(2) .
C18 C10 C11 C12 123.7(2) .
C17 C10 C11 C12 -113.4(2) .
C16 C11 C12 C13 -0.6(3) .
C10 C11 C12 C13 178.1(2) .
C16 C11 C12 C7 179.1(2) .
C10 C11 C12 C7 -2.2(3) .
C8 C7 C12 C13 0.2(4) .
C6 C7 C12 C13 179.5(2) .
C8 C7 C12 C11 -179.4(2) .
C6 C7 C12 C11 -0.1(2) .
C11 C12 C13 C14 -0.9(3) .
C7 C12 C13 C14 179.5(2) .
C12 C13 C14 C15 1.2(3) .
C13 C14 C15 C16 0.1(4) .
C13 C14 C15 N3 -177.4(2) .
C12 C11 C16 C15 1.8(3) .
C10 C11 C16 C15 -176.6(2) .
C14 C15 C16 C11 -1.6(3) .
N3 C15 C16 C11 176.0(2) .
N3 C19 C20 N8 -0.5(3) .
O1 C22 C23 C24 -23.8(3) .
O2 C22 C23 C24 155.5(2) .
O1 C22 C23 C25 157.1(2) .
O2 C22 C23 C25 -23.7(3) .
C25 C23 C24 C25 0.0(4) 7_557
C22 C23 C24 C25 -179.3(2) 7_557
C24 C23 C25 C24 0.0(4) 7_557
C22 C23 C25 C24 179.2(2) 7_557
O3 C26 C27 C28 -168.6(3) .
O4 C26 C27 C28 11.6(4) .
O3 C26 C27 C29 12.8(4) .
O4 C26 C27 C29 -167.0(2) .
C29 C27 C28 C28 -1.0(6) 2_656
C26 C27 C28 C28 -179.5(4) 2_656
C28 C27 C29 C29 -0.2(4) 2_656
C26 C27 C29 C29 178.4(3) 2_656
N2 C3 N1 C1 -0.3(2) .
N2 C3 N1 Zn1 171.40(14) .
C2 C1 N1 C3 0.4(3) .
C2 C1 N1 Zn1 -170.92(18) .
N1 C3 N2 C2 0.2(3) .
N1 C3 N2 C4 -178.4(2) .
C1 C2 N2 C3 0.1(3) .
C1 C2 N2 C4 178.6(2) .
C5 C4 N2 C3 -38.4(3) .
C9 C4 N2 C3 139.9(2) .
C5 C4 N2 C2 143.3(2) .
C9 C4 N2 C2 -38.4(3) .
N8 C21 N3 C19 -0.4(3) .
N8 C21 N3 C15 178.7(2) .
C20 C19 N3 C21 0.5(3) .
C20 C19 N3 C15 -178.5(2) .
C16 C15 N3 C21 -41.2(3) .
C14 C15 N3 C21 136.5(2) .
C16 C15 N3 C19 137.7(2) .
C14 C15 N3 C19 -44.6(3) .
N3 C21 N8 C20 0.1(3) .
N3 C21 N8 Zn1 -177.77(15) 8_445
C19 C20 N8 C21 0.2(3) .
C19 C20 N8 Zn1 177.75(17) 8_445
O1 C22 O2 Zn1 0.7(3) .
C23 C22 O2 Zn1 -178.56(14) .
O3 C26 O4 Zn1 -18.8(4) .
C27 C26 O4 Zn1 160.96(16) .
C22 O2 Zn1 O4 -173.20(15) .
C22 O2 Zn1 N1 56.94(17) .
C22 O2 Zn1 N8 -71.26(16) 8_546
C26 O4 Zn1 O2 -50.4(2) .
C26 O4 Zn1 N1 78.5(2) .
C26 O4 Zn1 N8 -165.1(2) 8_546
C3 N1 Zn1 O2 -81.72(19) .
C1 N1 Zn1 O2 88.1(2) .
C3 N1 Zn1 O4 152.66(17) .
C1 N1 Zn1 O4 -37.5(2) .
C3 N1 Zn1 N8 46.74(19) 8_546
C1 N1 Zn1 N8 -143.41(19) 8_546
