#------------------------------------------------------------------------------
#$Date: 2019-11-07 21:54:22 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223645 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/23/7232387.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_7232387
loop_
_publ_author_name
'Xu, Cungang'
'Bi, Caifeng'
'Zhu, Zheng'
'Luo, Rong'
'Zhang, Xia'
'Zhang, Dongmei'
'Fan, Chuanbin'
'Cui, Liansheng'
'Fan, Yuhua'
_publ_section_title
;
 Metal--organic frameworks with 5,5′-(1,4-xylylenediamino)
 diisophthalic acid and various nitrogen-containing ligands for
 selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds
;
_journal_issue                   14
_journal_name_full               CrystEngComm
_journal_page_first              2333
_journal_paper_doi               10.1039/C9CE00005D
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C60 H44 N10 O10 Zn2'
_chemical_formula_weight         1195.79
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-04-01 deposited with the CCDC.    2019-02-18 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 111.874(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7202(6)
_cell_length_b                   23.5966(13)
_cell_length_c                   12.3749(7)
_cell_measurement_reflns_used    21723
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.14
_cell_volume                     2634.0(3)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'multiwire proportional'
_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  0.1458
_diffrn_reflns_av_sigmaI/netI    0.0828
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            33856
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.14
_exptl_absorpt_coefficient_mu    0.984
_exptl_absorpt_correction_T_max  0.7910
_exptl_absorpt_correction_T_min  0.7567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1228
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.458
_refine_diff_density_min         -0.334
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         4888
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.1285
_refine_ls_R_factor_gt           0.0612
_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)+(0.0461P)²+1.0203P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1045
_refine_ls_wR_factor_ref         0.1222
_reflns_number_gt                2748
_reflns_number_total             4888
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9ce00005d2.cif
_cod_data_source_block           24
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7232386--7232389.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7232387
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Zn1 Zn 1.07093(6) 0.16533(2) 0.52784(4) 0.04813(19) Uani 1 1 d .
N1 N 0.8553(4) 0.02800(17) 0.6125(3) 0.0518(10) Uani 1 1 d .
N2 N 0.9989(4) 0.08744(17) 0.5657(3) 0.0527(10) Uani 1 1 d .
N3 N 0.5755(4) -0.15203(16) 1.1576(3) 0.0505(10) Uani 1 1 d .
N4 N 0.7331(4) -0.16783(17) 1.3364(3) 0.0531(10) Uani 1 1 d .
N5 N 0.4785(5) 0.34637(17) 0.4267(3) 0.0658(12) Uani 1 1 d .
H5 H 0.4852 0.3352 0.3627 0.079 Uiso 1 1 calc R
O1 O 0.9121(3) 0.21611(14) 0.5244(3) 0.0558(9) Uani 1 1 d .
O2 O 0.9745(4) 0.19514(18) 0.7098(3) 0.0803(12) Uani 1 1 d .
O3 O 0.6900(4) 0.27930(16) 0.9310(3) 0.0668(10) Uani 1 1 d .
O4 O 0.5424(4) 0.35110(14) 0.8571(3) 0.0630(10) Uani 1 1 d .
O5 O 0.3840(4) -0.05872(17) 0.7128(3) 0.0726(11) Uani 1 1 d .
C1 C 0.8978(6) 0.2212(2) 0.6222(4) 0.0537(13) Uani 1 1 d .
C2 C 0.6275(6) 0.3118(2) 0.8487(4) 0.0531(13) Uani 1 1 d .
C3 C 0.7762(5) 0.25945(19) 0.6260(4) 0.0441(11) Uani 1 1 d .
C4 C 0.7590(5) 0.26857(19) 0.7319(4) 0.0449(11) Uani 1 1 d .
H4 H 0.8216 0.2508 0.7993 0.054 Uiso 1 1 calc R
C5 C 0.6484(5) 0.30416(19) 0.7356(4) 0.0424(11) Uani 1 1 d .
C6 C 0.5563(5) 0.3318(2) 0.6353(4) 0.0497(12) Uani 1 1 d .
H6 H 0.4847 0.3570 0.6394 0.060 Uiso 1 1 calc R
C7 C 0.5705(6) 0.32210(17) 0.5289(4) 0.0478(11) Uani 1 1 d .
C8 C 0.6827(5) 0.28574(19) 0.5275(4) 0.0489(12) Uani 1 1 d .
H8 H 0.6944 0.2791 0.4574 0.059 Uiso 1 1 calc R
C9 C 0.3715(6) 0.3896(2) 0.4211(4) 0.0622(14) Uani 1 1 d .
H9A H 0.3152 0.3776 0.4674 0.075 Uiso 1 1 calc R
H9B H 0.3028 0.3933 0.3411 0.075 Uiso 1 1 calc R
C10 C 0.4385(5) 0.4465(2) 0.4635(4) 0.0485(12) Uani 1 1 d .
C11 C 0.5445(7) 0.4681(2) 0.4294(5) 0.0827(19) Uani 1 1 d .
H11 H 0.5772 0.4469 0.3803 0.099 Uiso 1 1 calc R
C12 C 0.6060(6) 0.5211(2) 0.4653(5) 0.0763(17) Uani 1 1 d .
H12 H 0.6790 0.5345 0.4402 0.092 Uiso 1 1 calc R
C13 C 0.8660(5) 0.0781(2) 0.5645(4) 0.0522(13) Uani 1 1 d .
H13 H 0.7874 0.1033 0.5339 0.063 Uiso 1 1 calc R
C14 C 1.0790(6) 0.0404(2) 0.6166(5) 0.0663(15) Uani 1 1 d .
H14 H 1.1784 0.0347 0.6291 0.080 Uiso 1 1 calc R
C15 C 0.9933(5) 0.0037(2) 0.6461(4) 0.0607(14) Uani 1 1 d .
H15 H 1.0218 -0.0313 0.6821 0.073 Uiso 1 1 calc R
C16 C 0.7311(5) 0.0062(2) 0.6334(4) 0.0496(12) Uani 1 1 d .
C17 C 0.6207(5) 0.0414(2) 0.6357(4) 0.0570(13) Uani 1 1 d .
H17 H 0.6236 0.0799 0.6202 0.068 Uiso 1 1 calc R
C18 C 0.5040(6) 0.0193(2) 0.6617(4) 0.0640(15) Uani 1 1 d .
H18 H 0.4281 0.0429 0.6630 0.077 Uiso 1 1 calc R
C19 C 0.5005(6) -0.0366(3) 0.6849(4) 0.0594(14) Uani 1 1 d .
C20 C 0.6088(6) -0.0717(3) 0.6804(5) 0.0821(19) Uani 1 1 d .
H20 H 0.6048 -0.1101 0.6955 0.099 Uiso 1 1 calc R
C21 C 0.7247(6) -0.0508(2) 0.6538(5) 0.0778(18) Uani 1 1 d .
H21 H 0.7980 -0.0751 0.6497 0.093 Uiso 1 1 calc R
C22 C 0.7163(5) -0.1480(2) 1.2329(4) 0.0584(14) Uani 1 1 d .
H22 H 0.7930 -0.1330 1.2141 0.070 Uiso 1 1 calc R
C23 C 0.5960(5) -0.1860(2) 1.3269(4) 0.0538(13) Uani 1 1 d .
H23 H 0.5731 -0.2022 1.3866 0.065 Uiso 1 1 calc R
C24 C 0.4983(5) -0.1768(2) 1.2172(4) 0.0584(14) Uani 1 1 d .
H24 H 0.3979 -0.1857 1.1880 0.070 Uiso 1 1 calc R
C25 C 0.5203(5) -0.1290(2) 1.0421(4) 0.0512(12) Uani 1 1 d .
C26 C 0.5801(7) -0.0788(2) 1.0250(5) 0.0807(18) Uani 1 1 d .
H26 H 0.6503 -0.0603 1.0877 0.097 Uiso 1 1 calc R
C27 C 0.5364(7) -0.0558(3) 0.9151(5) 0.086(2) Uani 1 1 d .
H27 H 0.5792 -0.0224 0.9029 0.103 Uiso 1 1 calc R
C28 C 0.4306(6) -0.0821(2) 0.8247(4) 0.0608(14) Uani 1 1 d .
C29 C 0.3664(5) -0.1310(2) 0.8404(4) 0.0614(14) Uani 1 1 d .
H29 H 0.2927 -0.1483 0.7780 0.074 Uiso 1 1 calc R
C30 C 0.4125(5) -0.1547(2) 0.9509(4) 0.0587(14) Uani 1 1 d .
H30 H 0.3697 -0.1882 0.9627 0.070 Uiso 1 1 calc R
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 N4 119.77(15) . 3_757
O1 Zn1 O4 106.91(13) . 4_665
N4 Zn1 O4 125.71(15) 3_757 4_665
O1 Zn1 N2 102.61(15) . .
N4 Zn1 N2 97.53(16) 3_757 .
O4 Zn1 N2 97.83(14) 4_665 .
O1 Zn1 O3 100.62(13) . 4_665
N4 Zn1 O3 85.24(13) 3_757 4_665
O4 Zn1 O3 59.05(13) 4_665 4_665
N2 Zn1 O3 151.30(14) . 4_665
O1 Zn1 C2 106.22(14) . 4_665
N4 Zn1 C2 106.11(16) 3_757 4_665
O4 Zn1 C2 29.96(15) 4_665 4_665
N2 Zn1 C2 125.84(17) . 4_665
O3 Zn1 C2 29.10(13) 4_665 4_665
C13 N1 C15 105.9(4) . .
C13 N1 C16 127.5(4) . .
C15 N1 C16 126.5(4) . .
C13 N2 C14 105.0(4) . .
C13 N2 Zn1 124.2(4) . .
C14 N2 Zn1 129.7(3) . .
C22 N3 C24 106.2(4) . .
C22 N3 C25 124.8(4) . .
C24 N3 C25 128.7(4) . .
C22 N4 C23 105.4(4) . .
C22 N4 Zn1 122.5(3) . 3_757
C23 N4 Zn1 132.1(3) . 3_757
C7 N5 C9 123.4(4) . .
C7 N5 H5 118.3 . .
C9 N5 H5 118.3 . .
C1 O1 Zn1 113.8(3) . .
C2 O3 Zn1 83.7(3) . 4_566
C2 O4 Zn1 95.9(3) . 4_566
C28 O5 C19 113.4(4) . .
O2 C1 O1 123.1(5) . .
O2 C1 C3 119.9(4) . .
O1 C1 C3 116.9(4) . .
O3 C2 O4 121.3(4) . .
O3 C2 C5 119.8(5) . .
O4 C2 C5 118.9(5) . .
O3 C2 Zn1 67.2(3) . 4_566
O4 C2 Zn1 54.1(2) . 4_566
C5 C2 Zn1 173.0(4) . 4_566
C8 C3 C4 119.6(4) . .
C8 C3 C1 120.9(4) . .
C4 C3 C1 119.5(4) . .
C5 C4 C3 119.5(4) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
C4 C5 C6 120.4(4) . .
C4 C5 C2 119.0(4) . .
C6 C5 C2 120.6(4) . .
C7 C6 C5 120.5(4) . .
C7 C6 H6 119.7 . .
C5 C6 H6 119.7 . .
N5 C7 C8 119.4(4) . .
N5 C7 C6 122.8(4) . .
C8 C7 C6 117.8(4) . .
C3 C8 C7 122.2(4) . .
C3 C8 H8 118.9 . .
C7 C8 H8 118.9 . .
N5 C9 C10 114.0(4) . .
N5 C9 H9A 108.8 . .
C10 C9 H9A 108.8 . .
N5 C9 H9B 108.8 . .
C10 C9 H9B 108.8 . .
H9A C9 H9B 107.7 . .
C11 C10 C12 117.1(5) . 3_666
C11 C10 C9 120.8(5) . .
C12 C10 C9 122.1(5) 3_666 .
C10 C11 C12 121.9(5) . .
C10 C11 H11 119.0 . .
C12 C11 H11 119.0 . .
C10 C12 C11 121.0(5) 3_666 .
C10 C12 H12 119.5 3_666 .
C11 C12 H12 119.5 . .
N2 C13 N1 112.5(4) . .
N2 C13 H13 123.7 . .
N1 C13 H13 123.7 . .
C15 C14 N2 110.2(5) . .
C15 C14 H14 124.9 . .
N2 C14 H14 124.9 . .
C14 C15 N1 106.5(5) . .
C14 C15 H15 126.8 . .
N1 C15 H15 126.8 . .
C17 C16 C21 120.1(5) . .
C17 C16 N1 120.7(5) . .
C21 C16 N1 119.2(4) . .
C16 C17 C18 119.4(5) . .
C16 C17 H17 120.3 . .
C18 C17 H17 120.3 . .
C19 C18 C17 120.2(5) . .
C19 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
C18 C19 C20 120.3(5) . .
C18 C19 O5 120.1(5) . .
C20 C19 O5 119.6(5) . .
C19 C20 C21 120.5(5) . .
C19 C20 H20 119.7 . .
C21 C20 H20 119.7 . .
C16 C21 C20 119.4(5) . .
C16 C21 H21 120.3 . .
C20 C21 H21 120.3 . .
N4 C22 N3 112.0(4) . .
N4 C22 H22 124.0 . .
N3 C22 H22 124.0 . .
C24 C23 N4 109.5(4) . .
C24 C23 H23 125.3 . .
N4 C23 H23 125.3 . .
C23 C24 N3 106.8(4) . .
C23 C24 H24 126.6 . .
N3 C24 H24 126.6 . .
C30 C25 C26 119.8(5) . .
C30 C25 N3 122.9(4) . .
C26 C25 N3 117.4(5) . .
C25 C26 C27 120.1(5) . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C28 C27 C26 119.7(5) . .
C28 C27 H27 120.2 . .
C26 C27 H27 120.2 . .
C27 C28 C29 121.2(5) . .
C27 C28 O5 120.1(5) . .
C29 C28 O5 118.7(5) . .
C28 C29 C30 119.1(5) . .
C28 C29 H29 120.5 . .
C30 C29 H29 120.5 . .
C25 C30 C29 120.1(5) . .
C25 C30 H30 119.9 . .
C29 C30 H30 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.942(3) .
Zn1 N4 2.017(4) 3_757
Zn1 O4 2.063(3) 4_665
Zn1 N2 2.081(4) .
Zn1 O3 2.349(3) 4_665
Zn1 C2 2.533(5) 4_665
N1 C13 1.344(6) .
N1 C15 1.373(6) .
N1 C16 1.422(6) .
N2 C13 1.305(5) .
N2 C14 1.367(6) .
N3 C22 1.342(6) .
N3 C24 1.363(5) .
N3 C25 1.434(5) .
N4 C22 1.315(5) .
N4 C23 1.363(5) .
N4 Zn1 2.017(4) 3_757
N5 C7 1.372(6) .
N5 C9 1.440(6) .
N5 H5 0.8600 .
O1 C1 1.274(5) .
O2 C1 1.227(5) .
O3 C2 1.239(6) .
O3 Zn1 2.349(3) 4_566
O4 C2 1.272(6) .
O4 Zn1 2.063(3) 4_566
O5 C28 1.400(5) .
O5 C19 1.402(6) .
C1 C3 1.503(6) .
C2 C5 1.498(6) .
C2 Zn1 2.533(5) 4_566
C3 C8 1.368(6) .
C3 C4 1.398(6) .
C4 C5 1.378(6) .
C4 H4 0.9300 .
C5 C6 1.393(6) .
C6 C7 1.393(6) .
C6 H6 0.9300 .
C7 C8 1.392(6) .
C8 H8 0.9300 .
C9 C10 1.499(6) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.351(7) .
C10 C12 1.354(7) 3_666
C11 C12 1.384(7) .
C11 H11 0.9300 .
C12 C10 1.354(7) 3_666
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C15 1.342(7) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.367(6) .
C16 C21 1.374(7) .
C17 C18 1.391(7) .
C17 H17 0.9300 .
C18 C19 1.353(7) .
C18 H18 0.9300 .
C19 C20 1.356(7) .
C20 C21 1.377(7) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.354(6) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C30 1.364(6) .
C25 C26 1.369(7) .
C26 C27 1.376(7) .
C26 H26 0.9300 .
C27 C28 1.355(7) .
C27 H27 0.9300 .
C28 C29 1.359(7) .
C29 C30 1.387(6) .
C29 H29 0.9300 .
C30 H30 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
O1 Zn1 N2 C13 10.5(4) . .
N4 Zn1 N2 C13 133.4(4) 3_757 .
O4 Zn1 N2 C13 -98.8(4) 4_665 .
O3 Zn1 N2 C13 -132.8(4) 4_665 .
C2 Zn1 N2 C13 -110.4(4) 4_665 .
O1 Zn1 N2 C14 -155.4(4) . .
N4 Zn1 N2 C14 -32.6(4) 3_757 .
O4 Zn1 N2 C14 95.2(4) 4_665 .
O3 Zn1 N2 C14 61.3(6) 4_665 .
C2 Zn1 N2 C14 83.6(5) 4_665 .
N4 Zn1 O1 C1 -41.9(4) 3_757 .
O4 Zn1 O1 C1 166.9(3) 4_665 .
N2 Zn1 O1 C1 64.5(4) . .
O3 Zn1 O1 C1 -132.5(3) 4_665 .
C2 Zn1 O1 C1 -161.8(3) 4_665 .
Zn1 O1 C1 O2 -2.0(7) . .
Zn1 O1 C1 C3 -179.5(3) . .
Zn1 O3 C2 O4 -1.4(4) 4_566 .
Zn1 O3 C2 C5 -179.7(4) 4_566 .
Zn1 O4 C2 O3 1.6(5) 4_566 .
Zn1 O4 C2 C5 179.9(4) 4_566 .
O2 C1 C3 C8 -175.4(5) . .
O1 C1 C3 C8 2.3(7) . .
O2 C1 C3 C4 5.0(7) . .
O1 C1 C3 C4 -177.3(4) . .
C8 C3 C4 C5 -0.3(7) . .
C1 C3 C4 C5 179.3(4) . .
C3 C4 C5 C6 -1.3(7) . .
C3 C4 C5 C2 177.7(4) . .
O3 C2 C5 C4 -12.8(7) . .
O4 C2 C5 C4 168.9(4) . .
Zn1 C2 C5 C4 169(2) 4_566 .
O3 C2 C5 C6 166.3(5) . .
O4 C2 C5 C6 -12.1(7) . .
Zn1 C2 C5 C6 -12(3) 4_566 .
C4 C5 C6 C7 2.7(7) . .
C2 C5 C6 C7 -176.3(4) . .
C9 N5 C7 C8 -172.2(4) . .
C9 N5 C7 C6 8.3(7) . .
C5 C6 C7 N5 177.2(4) . .
C5 C6 C7 C8 -2.3(7) . .
C4 C3 C8 C7 0.6(7) . .
C1 C3 C8 C7 -179.0(4) . .
N5 C7 C8 C3 -178.8(4) . .
C6 C7 C8 C3 0.7(7) . .
C7 N5 C9 C10 73.2(6) . .
N5 C9 C10 C11 45.9(7) . .
N5 C9 C10 C12 -135.7(5) . 3_666
C12 C10 C11 C12 0.2(10) 3_666 .
C9 C10 C11 C12 178.7(5) . .
C10 C11 C12 C10 -0.2(10) . 3_666
C14 N2 C13 N1 0.5(6) . .
Zn1 N2 C13 N1 -168.4(3) . .
C15 N1 C13 N2 -0.4(6) . .
C16 N1 C13 N2 175.0(4) . .
C13 N2 C14 C15 -0.4(6) . .
Zn1 N2 C14 C15 167.6(3) . .
N2 C14 C15 N1 0.2(6) . .
C13 N1 C15 C14 0.1(6) . .
C16 N1 C15 C14 -175.4(4) . .
C13 N1 C16 C17 -18.7(7) . .
C15 N1 C16 C17 155.8(5) . .
C13 N1 C16 C21 162.8(5) . .
C15 N1 C16 C21 -22.7(7) . .
C21 C16 C17 C18 1.5(7) . .
N1 C16 C17 C18 -177.0(4) . .
C16 C17 C18 C19 0.4(8) . .
C17 C18 C19 C20 -1.6(8) . .
C17 C18 C19 O5 179.0(4) . .
C28 O5 C19 C18 -117.9(5) . .
C28 O5 C19 C20 62.7(7) . .
C18 C19 C20 C21 0.9(9) . .
O5 C19 C20 C21 -179.7(5) . .
C17 C16 C21 C20 -2.1(8) . .
N1 C16 C21 C20 176.4(5) . .
C19 C20 C21 C16 0.9(9) . .
C23 N4 C22 N3 0.5(6) . .
Zn1 N4 C22 N3 -177.4(3) 3_757 .
C24 N3 C22 N4 -0.9(6) . .
C25 N3 C22 N4 173.5(4) . .
C22 N4 C23 C24 0.0(6) . .
Zn1 N4 C23 C24 177.7(4) 3_757 .
N4 C23 C24 N3 -0.6(6) . .
C22 N3 C24 C23 0.9(5) . .
C25 N3 C24 C23 -173.3(5) . .
C22 N3 C25 C30 145.3(5) . .
C24 N3 C25 C30 -41.5(7) . .
C22 N3 C25 C26 -34.9(7) . .
C24 N3 C25 C26 138.3(5) . .
C30 C25 C26 C27 -3.0(9) . .
N3 C25 C26 C27 177.2(5) . .
C25 C26 C27 C28 2.1(10) . .
C26 C27 C28 C29 0.0(9) . .
C26 C27 C28 O5 179.2(5) . .
C19 O5 C28 C27 40.8(7) . .
C19 O5 C28 C29 -139.9(5) . .
C27 C28 C29 C30 -1.1(8) . .
O5 C28 C29 C30 179.7(4) . .
C26 C25 C30 C29 1.8(8) . .
N3 C25 C30 C29 -178.3(4) . .
C28 C29 C30 C25 0.2(8) . .
