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#$Date: 2021-02-17 11:45:19 +0200 (Wed, 17 Feb 2021) $
#$Revision: 262028 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/04/1560445.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_1560445
loop_
_publ_author_name
'Yuan, Fei'
'Wang, Ting-Ting'
'Hu, Huai-Ming'
'Li, Chuan-Ti'
'Zhou, Chun-Sheng'
'Wang, Xiaofang'
'Xue, Ganglin'
_publ_section_title
;
 Two luminescent d 10 metal coordination polymers assembled from a
 semirigid terpyridyl carboxylate ligand with high selective detecting of
 Cu 2+ , Cr 2 O 7 2- and acetone
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              79
_journal_page_last               89
_journal_paper_doi               10.1016/j.jssc.2017.04.014
_journal_volume                  251
_journal_year                    2017
_chemical_formula_sum            'C49 H31 N8 O11 Zn2'
_chemical_formula_weight         1038.56
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 120.585(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   35.07(2)
_cell_length_b                   7.469(5)
_cell_length_c                   21.491(14)
_cell_measurement_reflns_used    1075
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.58
_cell_measurement_theta_min      2.89
_cell_volume                     4846(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.1311
_diffrn_reflns_av_sigmaI/netI    0.1572
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            11431
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.91
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.058
_exptl_absorpt_correction_T_max  0.874
_exptl_absorpt_correction_T_min  0.768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2116
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.270
_refine_diff_density_min         -0.946
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         4252
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.1701
_refine_ls_R_factor_gt           0.0883
_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)+(0.1000P)²+0.0424P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1991
_refine_ls_wR_factor_ref         0.2443
_reflns_number_gt                2122
_reflns_number_total             4252
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2017-251-79.cif
_cod_data_source_block           nw1891_0m
_cod_original_cell_volume        4847(5)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1560445
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 1.00922(3) 0.30061(13) 0.40319(5) 0.0473(4) Uani 1 1 d . . .
N1 N 0.9479(2) 0.2338(8) 0.3892(4) 0.0481(17) Uani 1 1 d . . .
N2 N 0.8227(2) 0.0801(10) 0.4259(4) 0.0592(19) Uani 1 1 d . . .
N3 N 0.7953(5) -0.109(2) 0.6224(6) 0.148(5) Uani 1 1 d . . .
N4 N 1.0040(2) 0.2758(9) 0.3043(3) 0.0458(16) Uani 1 1 d . . .
O1 O 0.54048(18) 0.2056(8) 0.0256(3) 0.0615(16) Uani 1 1 d . . .
O2 O 0.5770(2) 0.1728(9) -0.0304(3) 0.079(2) Uani 1 1 d . . .
O3 O 1.0164(2) -0.0049(9) 0.3949(3) 0.078(2) Uani 1 1 d . . .
O4 O 1.0086(5) -0.2017(11) 0.3129(5) 0.196(7) Uani 1 1 d . . .
H4 H 0.9831 -0.2354 0.2862 0.294 Uiso 1 1 calc R . .
C1 C 0.9107(3) 0.2580(12) 0.3276(5) 0.057(2) Uani 1 1 d . . .
H1 H 0.9128 0.3036 0.2892 0.068 Uiso 1 1 calc R . .
C2 C 0.8699(3) 0.2224(12) 0.3157(4) 0.056(2) Uani 1 1 d . . .
H2 H 0.8453 0.2379 0.2698 0.067 Uiso 1 1 calc R . .
C3 C 0.8646(3) 0.1624(10) 0.3720(4) 0.046(2) Uani 1 1 d . . .
C4 C 0.9031(3) 0.1333(11) 0.4357(5) 0.056(2) Uani 1 1 d . . .
H4A H 0.9017 0.0884 0.4748 0.067 Uiso 1 1 calc R . .
C5 C 0.9442(3) 0.1686(11) 0.4438(4) 0.053(2) Uani 1 1 d . . .
H5 H 0.9696 0.1465 0.4881 0.063 Uiso 1 1 calc R . .
C6 C 0.8216(3) 0.1268(11) 0.3656(4) 0.048(2) Uani 1 1 d . . .
C7 C 0.7832(3) 0.1468(11) 0.3028(5) 0.056(2) Uani 1 1 d . . .
H7 H 0.7839 0.1809 0.2618 0.067 Uiso 1 1 calc R . .
C8 C 0.7420(3) 0.1177(12) 0.2974(4) 0.050(2) Uani 1 1 d . . .
C9 C 0.7437(3) 0.0659(12) 0.3612(4) 0.058(2) Uani 1 1 d . . .
H9 H 0.7178 0.0425 0.3616 0.070 Uiso 1 1 calc R . .
C10 C 0.7839(3) 0.0502(13) 0.4228(5) 0.064(3) Uani 1 1 d . . .
C11 C 0.7588(5) -0.049(3) 0.5701(8) 0.148(7) Uani 1 1 d . . .
H11 H 0.7349 -0.0411 0.5775 0.178 Uiso 1 1 calc R . .
C12 C 0.7517(4) 0.007(2) 0.5014(5) 0.118(5) Uani 1 1 d . . .
H12 H 0.7245 0.0505 0.4651 0.142 Uiso 1 1 calc R . .
C13 C 0.7880(3) -0.0067(15) 0.4925(5) 0.078(3) Uani 1 1 d . . .
C14 C 0.8258(4) -0.070(2) 0.5469(6) 0.127(6) Uani 1 1 d . . .
H14 H 0.8505 -0.0811 0.5418 0.152 Uiso 1 1 calc R . .
C15 C 0.8284(5) -0.120(3) 0.6108(7) 0.182(9) Uani 1 1 d . . .
H15 H 0.8553 -0.1636 0.6478 0.219 Uiso 1 1 calc R . .
C16 C 0.6995(3) 0.1394(12) 0.2285(5) 0.052(2) Uani 1 1 d . . .
C17 C 0.6609(3) 0.1962(12) 0.2260(5) 0.059(2) Uani 1 1 d . . .
H17 H 0.6617 0.2264 0.2686 0.071 Uiso 1 1 calc R . .
C18 C 0.6225(3) 0.2080(12) 0.1628(5) 0.058(2) Uani 1 1 d . . .
H18 H 0.5972 0.2425 0.1633 0.069 Uiso 1 1 calc R . .
C19 C 0.6189(3) 0.1715(11) 0.0979(4) 0.051(2) Uani 1 1 d . . .
C20 C 0.6583(3) 0.1197(13) 0.1010(5) 0.064(3) Uani 1 1 d . . .
H20 H 0.6578 0.0958 0.0582 0.077 Uiso 1 1 calc R . .
C21 C 0.6967(3) 0.1035(13) 0.1639(5) 0.063(3) Uani 1 1 d . . .
H21 H 0.7220 0.0672 0.1635 0.076 Uiso 1 1 calc R . .
C22 C 0.5773(3) 0.1833(11) 0.0284(5) 0.058(2) Uani 1 1 d . . .
C23 C 1.0000 0.3689(16) 0.2500 0.049(3) Uani 1 2 d S . .
H23 H 1.0000 0.4934 0.2500 0.059 Uiso 1 2 calc SR . .
C24 C 1.0030(3) 0.1062(12) 0.2842(4) 0.059(2) Uani 1 1 d . . .
C25 C 1.0084(4) -0.0404(13) 0.3326(6) 0.094(4) Uani 1 1 d . . .
O5 O 0.9935(2) 0.5702(8) 0.3956(3) 0.0750(19) Uani 1 1 d . . .
O6 O 0.6228(8) 0.904(4) 0.9291(16) 0.255(16) Uani 0.50 1 d P . .
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
N4 Zn1 O2 100.9(2) . 8_556
N4 Zn1 O5 97.3(2) . .
O2 Zn1 O5 97.3(3) 8_556 .
N4 Zn1 N1 106.8(3) . .
O2 Zn1 N1 150.0(3) 8_556 .
O5 Zn1 N1 90.5(3) . .
N4 Zn1 O1 159.0(2) . 8_556
O2 Zn1 O1 59.7(2) 8_556 8_556
O5 Zn1 O1 93.6(2) . 8_556
N1 Zn1 O1 91.0(2) . 8_556
N4 Zn1 O3 77.7(2) . .
O2 Zn1 O3 90.9(3) 8_556 .
O5 Zn1 O3 171.1(3) . .
N1 Zn1 O3 84.1(2) . .
O1 Zn1 O3 93.5(2) 8_556 .
N4 Zn1 C22 130.2(3) . 8_556
O2 Zn1 C22 29.7(2) 8_556 8_556
O5 Zn1 C22 96.1(3) . 8_556
N1 Zn1 C22 120.8(3) . 8_556
O1 Zn1 C22 30.1(2) 8_556 8_556
O3 Zn1 C22 92.7(2) . 8_556
C1 N1 C5 116.3(7) . .
C1 N1 Zn1 122.5(5) . .
C5 N1 Zn1 121.2(6) . .
C6 N2 C10 118.1(7) . .
C11 N3 C15 116.4(11) . .
C23 N4 C24 104.1(7) . .
C23 N4 Zn1 142.5(6) . .
C24 N4 Zn1 113.4(5) . .
C22 O1 Zn1 86.2(6) . 8_455
C22 O2 Zn1 96.1(5) . 8_455
C25 O3 Zn1 108.5(6) . .
C25 O4 H4 109.5 . .
N1 C1 C2 125.4(8) . .
N1 C1 H1 117.3 . .
C2 C1 H1 117.3 . .
C1 C2 C3 119.9(8) . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C4 C3 C2 115.0(7) . .
C4 C3 C6 120.7(7) . .
C2 C3 C6 124.3(7) . .
C3 C4 C5 122.1(7) . .
C3 C4 H4A 119.0 . .
C5 C4 H4A 119.0 . .
N1 C5 C4 121.2(8) . .
N1 C5 H5 119.4 . .
C4 C5 H5 119.4 . .
N2 C6 C7 121.8(7) . .
N2 C6 C3 116.1(7) . .
C7 C6 C3 122.0(7) . .
C6 C7 C8 121.8(7) . .
C6 C7 H7 119.1 . .
C8 C7 H7 119.1 . .
C9 C8 C7 115.7(7) . .
C9 C8 C16 122.0(7) . .
C7 C8 C16 122.4(7) . .
C10 C9 C8 118.9(7) . .
C10 C9 H9 120.5 . .
C8 C9 H9 120.5 . .
N2 C10 C9 123.6(7) . .
N2 C10 C13 114.8(8) . .
C9 C10 C13 121.6(7) . .
N3 C11 C12 125.4(12) . .
N3 C11 H11 117.3 . .
C12 C11 H11 117.3 . .
C13 C12 C11 115.6(12) . .
C13 C12 H12 122.2 . .
C11 C12 H12 122.2 . .
C14 C13 C12 118.7(9) . .
C14 C13 C10 121.8(9) . .
C12 C13 C10 119.5(10) . .
C13 C14 C15 120.2(12) . .
C13 C14 H14 119.9 . .
C15 C14 H14 119.9 . .
N3 C15 C14 123.8(13) . .
N3 C15 H15 118.1 . .
C14 C15 H15 118.1 . .
C21 C16 C17 117.0(8) . .
C21 C16 C8 120.5(7) . .
C17 C16 C8 122.5(7) . .
C18 C17 C16 121.0(8) . .
C18 C17 H17 119.5 . .
C16 C17 H17 119.5 . .
C17 C18 C19 122.9(8) . .
C17 C18 H18 118.6 . .
C19 C18 H18 118.6 . .
C18 C19 C20 115.6(8) . .
C18 C19 C22 123.7(8) . .
C20 C19 C22 120.8(8) . .
C21 C20 C19 122.2(8) . .
C21 C20 H20 118.9 . .
C19 C20 H20 118.9 . .
C20 C21 C16 121.4(8) . .
C20 C21 H21 119.3 . .
C16 C21 H21 119.3 . .
O2 C22 O1 118.0(8) . .
O2 C22 C19 120.9(8) . .
O1 C22 C19 121.1(9) . .
O2 C22 Zn1 54.2(5) . 8_455
O1 C22 Zn1 63.7(5) . 8_455
C19 C22 Zn1 175.1(7) . 8_455
N4 C23 N4 115.5(10) . 2_755
N4 C23 H23 122.2 . .
N4 C23 H23 122.2 2_755 .
N4 C24 C24 108.1(4) . 2_755
N4 C24 C25 120.7(7) . .
C24 C24 C25 131.2(5) 2_755 .
O3 C25 O4 121.3(9) . .
O3 C25 C24 118.9(9) . .
O4 C25 C24 119.5(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N4 2.046(6) .
Zn1 O2 2.068(7) 8_556
Zn1 O5 2.072(6) .
Zn1 N1 2.075(6) .
Zn1 O1 2.278(6) 8_556
Zn1 O3 2.312(7) .
Zn1 C22 2.534(9) 8_556
N1 C1 1.315(10) .
N1 C5 1.338(9) .
N2 C6 1.323(9) .
N2 C10 1.348(10) .
N3 C11 1.280(16) .
N3 C15 1.308(18) .
N4 C23 1.304(8) .
N4 C24 1.333(10) .
O1 C22 1.273(10) .
O1 Zn1 2.278(6) 8_455
O2 C22 1.261(11) .
O2 Zn1 2.068(7) 8_455
O3 C25 1.249(11) .
O4 C25 1.278(11) .
O4 H4 0.8200 .
C1 C2 1.345(11) .
C1 H1 0.9300 .
C2 C3 1.389(10) .
C2 H2 0.9300 .
C3 C4 1.364(11) .
C3 C6 1.467(10) .
C4 C5 1.385(11) .
C4 H4A 0.9300 .
C5 H5 0.9300 .
C6 C7 1.346(11) .
C7 C8 1.408(10) .
C7 H7 0.9300 .
C8 C9 1.397(10) .
C8 C16 1.481(11) .
C9 C10 1.363(11) .
C9 H9 0.9300 .
C10 C13 1.492(11) .
C11 C12 1.430(16) .
C11 H11 0.9300 .
C12 C13 1.383(13) .
C12 H12 0.9300 .
C13 C14 1.331(14) .
C14 C15 1.379(16) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C21 1.369(11) .
C16 C17 1.393(11) .
C17 C18 1.344(11) .
C17 H17 0.9300 .
C18 C19 1.363(11) .
C18 H18 0.9300 .
C19 C20 1.403(11) .
C19 C22 1.466(12) .
C20 C21 1.342(11) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 Zn1 2.534(9) 8_455
C23 N4 1.304(8) 2_755
C23 H23 0.9300 .
C24 C24 1.375(15) 2_755
C24 C25 1.455(12) .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N4 Zn1 N1 C1 -28.9(7) . . . .
O2 Zn1 N1 C1 174.3(6) 8_556 . . .
O5 Zn1 N1 C1 68.8(7) . . . .
O1 Zn1 N1 C1 162.4(7) 8_556 . . .
O3 Zn1 N1 C1 -104.1(7) . . . .
C22 Zn1 N1 C1 166.2(6) 8_556 . . .
N4 Zn1 N1 C5 153.3(6) . . . .
O2 Zn1 N1 C5 -3.5(9) 8_556 . . .
O5 Zn1 N1 C5 -109.0(6) . . . .
O1 Zn1 N1 C5 -15.4(6) 8_556 . . .
O3 Zn1 N1 C5 78.1(6) . . . .
C22 Zn1 N1 C5 -11.6(7) 8_556 . . .
O2 Zn1 N4 C23 -88.0(7) 8_556 . . .
O5 Zn1 N4 C23 10.9(7) . . . .
N1 Zn1 N4 C23 103.6(7) . . . .
O1 Zn1 N4 C23 -109.7(8) 8_556 . . .
O3 Zn1 N4 C23 -176.5(7) . . . .
C22 Zn1 N4 C23 -93.4(7) 8_556 . . .
O2 Zn1 N4 C24 94.5(6) 8_556 . . .
O5 Zn1 N4 C24 -166.6(6) . . . .
N1 Zn1 N4 C24 -73.8(6) . . . .
O1 Zn1 N4 C24 72.8(9) 8_556 . . .
O3 Zn1 N4 C24 6.0(6) . . . .
C22 Zn1 N4 C24 89.1(7) 8_556 . . .
N4 Zn1 O3 C25 -7.9(8) . . . .
O2 Zn1 O3 C25 -108.9(8) 8_556 . . .
O5 Zn1 O3 C25 48.1(17) . . . .
N1 Zn1 O3 C25 100.7(8) . . . .
O1 Zn1 O3 C25 -168.7(8) 8_556 . . .
C22 Zn1 O3 C25 -138.5(8) 8_556 . . .
C5 N1 C1 C2 -0.1(13) . . . .
Zn1 N1 C1 C2 -178.0(7) . . . .
N1 C1 C2 C3 3.1(15) . . . .
C1 C2 C3 C4 -4.1(13) . . . .
C1 C2 C3 C6 177.4(8) . . . .
C2 C3 C4 C5 2.6(12) . . . .
C6 C3 C4 C5 -178.8(8) . . . .
C1 N1 C5 C4 -1.5(12) . . . .
Zn1 N1 C5 C4 176.4(6) . . . .
C3 C4 C5 N1 0.2(13) . . . .
C10 N2 C6 C7 0.9(13) . . . .
C10 N2 C6 C3 178.5(8) . . . .
C4 C3 C6 N2 5.3(12) . . . .
C2 C3 C6 N2 -176.2(8) . . . .
C4 C3 C6 C7 -177.1(8) . . . .
C2 C3 C6 C7 1.3(13) . . . .
N2 C6 C7 C8 -0.6(14) . . . .
C3 C6 C7 C8 -178.1(8) . . . .
C6 C7 C8 C9 -0.3(13) . . . .
C6 C7 C8 C16 180.0(8) . . . .
C7 C8 C9 C10 1.0(13) . . . .
C16 C8 C9 C10 -179.4(8) . . . .
C6 N2 C10 C9 -0.2(14) . . . .
C6 N2 C10 C13 178.3(8) . . . .
C8 C9 C10 N2 -0.7(15) . . . .
C8 C9 C10 C13 -179.2(9) . . . .
C15 N3 C11 C12 0(3) . . . .
N3 C11 C12 C13 0(3) . . . .
C11 C12 C13 C14 0(2) . . . .
C11 C12 C13 C10 -179.5(12) . . . .
N2 C10 C13 C14 -17.7(16) . . . .
C9 C10 C13 C14 160.9(12) . . . .
N2 C10 C13 C12 161.9(11) . . . .
C9 C10 C13 C12 -19.5(16) . . . .
C12 C13 C14 C15 0(2) . . . .
C10 C13 C14 C15 179.4(14) . . . .
C11 N3 C15 C14 0(3) . . . .
C13 C14 C15 N3 0(3) . . . .
C9 C8 C16 C21 -147.9(9) . . . .
C7 C8 C16 C21 31.8(13) . . . .
C9 C8 C16 C17 32.1(13) . . . .
C7 C8 C16 C17 -148.2(9) . . . .
C21 C16 C17 C18 2.6(13) . . . .
C8 C16 C17 C18 -177.4(8) . . . .
C16 C17 C18 C19 -2.2(14) . . . .
C17 C18 C19 C20 0.2(13) . . . .
C17 C18 C19 C22 179.9(8) . . . .
C18 C19 C20 C21 1.4(13) . . . .
C22 C19 C20 C21 -178.4(8) . . . .
C19 C20 C21 C16 -0.9(15) . . . .
C17 C16 C21 C20 -1.1(14) . . . .
C8 C16 C21 C20 178.9(8) . . . .
Zn1 O2 C22 O1 -0.7(9) 8_455 . . .
Zn1 O2 C22 C19 179.8(7) 8_455 . . .
Zn1 O1 C22 O2 0.6(8) 8_455 . . .
Zn1 O1 C22 C19 -179.8(7) 8_455 . . .
C18 C19 C22 O2 169.9(8) . . . .
C20 C19 C22 O2 -10.4(12) . . . .
C18 C19 C22 O1 -9.6(13) . . . .
C20 C19 C22 O1 170.1(8) . . . .
C18 C19 C22 Zn1 172(6) . . . 8_455
C20 C19 C22 Zn1 -8(7) . . . 8_455
C24 N4 C23 N4 0.7(4) . . . 2_755
Zn1 N4 C23 N4 -176.9(8) . . . 2_755
C23 N4 C24 C24 -1.7(11) . . . 2_755
Zn1 N4 C24 C24 176.7(8) . . . 2_755
C23 N4 C24 C25 177.6(9) . . . .
Zn1 N4 C24 C25 -4.0(11) . . . .
Zn1 O3 C25 O4 -177.6(11) . . . .
Zn1 O3 C25 C24 8.3(13) . . . .
N4 C24 C25 O3 -3.8(17) . . . .
C24 C24 C25 O3 175.3(13) 2_755 . . .
N4 C24 C25 O4 -178.0(11) . . . .
C24 C24 C25 O4 1(2) 2_755 . . .
