#------------------------------------------------------------------------------
#$Date: 2021-12-02 11:07:04 +0200 (Thu, 02 Dec 2021) $
#$Revision: 270977 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/54/1565481.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_1565481
loop_
_publ_author_name
'Wen, Gui-Lin'
'Liu, Bo'
'Liu, Dao-Fu'
'Wang, Feng-Wu'
'Li, Li'
'Zhu, Liang'
'Song, Dong-Mei'
'Huang, Chao-Xiu'
'Wang, Yao-Yu'
_publ_section_title
;
 Four congenetic zinc(II) MOFs from delicate solvent-regulated strategy:
 Structural diversities and fluorescent properties
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119296
_journal_paper_doi               10.1016/j.ica.2019.119296
_journal_volume                  502
_journal_year                    2020
_chemical_formula_sum            'C26 H22 N2 O11 Zn2'
_chemical_formula_weight         669.20
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 120.983(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.593(9)
_cell_length_b                   16.576(5)
_cell_length_c                   18.963(6)
_cell_measurement_reflns_used    1608
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      19.31
_cell_measurement_theta_min      2.40
_cell_volume                     7975(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_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  0.1029
_diffrn_reflns_av_unetI/netI     0.1558
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19366
_diffrn_reflns_theta_full        25.38
_diffrn_reflns_theta_max         25.38
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    1.247
_exptl_absorpt_correction_T_max  0.8648
_exptl_absorpt_correction_T_min  0.7797
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.115
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2720
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_platon_squeeze_details
;
;
_refine_diff_density_max         1.218
_refine_diff_density_min         -0.667
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         7162
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.1437
_refine_ls_R_factor_gt           0.0839
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2139
_refine_ls_wR_factor_ref         0.2335
_reflns_number_gt                3385
_reflns_number_total             7162
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2020-502-119296.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_sg_symbol_H-M      'C2/c  '
_cod_database_code               1565481
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 0.00943(3) 0.12310(5) 0.18018(5) 0.0310(3) Uani 1 1 d . . .
Zn2 Zn 0.16899(5) -0.36170(7) 0.26821(7) 0.0718(4) Uani 1 1 d U . .
C1 C 0.0695(3) 0.2313(4) 0.3274(5) 0.0359(19) Uani 1 1 d . . .
C2 C 0.1146(3) 0.2899(4) 0.3647(5) 0.045(2) Uani 1 1 d . . .
C3 C 0.1099(3) 0.3594(5) 0.3186(5) 0.055(2) Uani 1 1 d . . .
H3 H 0.0805 0.3663 0.2664 0.066 Uiso 1 1 calc R . .
C4 C 0.1496(3) 0.4181(5) 0.3517(5) 0.051(2) Uani 1 1 d . . .
C5 C 0.1908(3) 0.4069(5) 0.4307(6) 0.058(3) Uani 1 1 d . . .
H5 H 0.2160 0.4475 0.4544 0.070 Uiso 1 1 calc R . .
C6 C 0.1970(3) 0.3406(5) 0.4758(5) 0.052(2) Uani 1 1 d . . .
H6 H 0.2268 0.3353 0.5280 0.062 Uiso 1 1 calc R . .
C7 C 0.1589(3) 0.2800(4) 0.4445(5) 0.046(2) Uani 1 1 d . . .
C8 C 0.1442(4) 0.4892(6) 0.2994(8) 0.085(4) Uani 1 1 d U . .
C9 C 0.1669(3) 0.2043(5) 0.4919(5) 0.046(2) Uani 1 1 d . . .
C10 C 0.1822(3) 0.2078(5) 0.5750(5) 0.060(3) Uani 1 1 d . . .
H10 H 0.1862 0.2577 0.6000 0.072 Uiso 1 1 calc R . .
C11 C 0.1916(4) 0.1379(6) 0.6205(5) 0.081(3) Uani 1 1 d . . .
H11A H 0.2029 0.1409 0.6762 0.097 Uiso 1 1 calc R . .
C12 C 0.1841(3) 0.0624(5) 0.5823(4) 0.056(2) Uani 1 1 d . . .
H12 H 0.1902 0.0152 0.6124 0.067 Uiso 1 1 calc R . .
C13 C 0.1669(3) 0.0588(5) 0.4973(5) 0.044(2) Uani 1 1 d . . .
C14 C 0.1617(3) -0.0203(4) 0.4574(5) 0.042(2) Uani 1 1 d . . .
C15 C 0.1196(3) -0.0371(4) 0.3760(4) 0.0341(18) Uani 1 1 d . . .
C16 C 0.1193(3) -0.1063(4) 0.3398(4) 0.0378(19) Uani 1 1 d . . .
H16 H 0.0915 -0.1169 0.2868 0.045 Uiso 1 1 calc R . .
C17 C 0.1587(4) -0.1621(5) 0.3786(5) 0.059(3) Uani 1 1 d . . .
C18 C 0.1991(3) -0.1486(5) 0.4586(6) 0.060(3) Uani 1 1 d . . .
H18 H 0.2246 -0.1877 0.4870 0.071 Uiso 1 1 calc R . .
C19 C 0.2008(3) -0.0759(6) 0.4958(5) 0.058(2) Uani 1 1 d . . .
H19 H 0.2292 -0.0649 0.5480 0.069 Uiso 1 1 calc R . .
C20 C 0.0738(3) 0.0210(4) 0.3302(4) 0.0275(16) Uani 1 1 d . . .
C21 C 0.1614(4) -0.2369(6) 0.3374(7) 0.067(3) Uani 1 1 d . . .
C22 C 0.0017(3) 0.1214(5) 0.0221(5) 0.049(2) Uani 1 1 d . . .
C23 C -0.0545(4) 0.1110(7) -0.0267(5) 0.089(4) Uani 1 1 d . . .
H23A H -0.0725 0.1558 -0.0188 0.107 Uiso 1 1 calc R . .
H23B H -0.0651 0.0613 -0.0123 0.107 Uiso 1 1 calc R . .
C24 C -0.0667(5) 0.1082(8) -0.1141(6) 0.097(4) Uani 1 1 d . . .
H24A H -0.0790 0.0548 -0.1368 0.116 Uiso 1 1 calc R . .
H24B H -0.0942 0.1467 -0.1474 0.116 Uiso 1 1 calc R . .
C25 C -0.0194(4) 0.1275(6) -0.1146(5) 0.072(3) Uani 1 1 d . . .
H25A H -0.0222 0.1799 -0.1394 0.087 Uiso 1 1 calc R . .
H25B H -0.0119 0.0870 -0.1441 0.087 Uiso 1 1 calc R . .
C26 C 0.0731(4) 0.1408(8) -0.0035(7) 0.108(5) Uani 1 1 d D . .
H26A H 0.0860 0.1879 0.0307 0.162 Uiso 1 1 calc R . .
H26B H 0.0757 0.1485 -0.0514 0.162 Uiso 1 1 calc R . .
H26C H 0.0938 0.0948 0.0268 0.162 Uiso 1 1 calc R . .
N1 N 0.1587(3) 0.1316(4) 0.4520(4) 0.065(2) Uani 1 1 d . . .
N2 N 0.0209(3) 0.1279(4) -0.0272(4) 0.060(2) Uani 1 1 d D . .
O1 O 0.0596(2) 0.2049(3) 0.2575(3) 0.0490(15) Uani 1 1 d . . .
O2 O 0.0471(2) 0.2127(3) 0.3627(3) 0.0474(15) Uani 1 1 d . . .
O3 O 0.1032(4) 0.4985(6) 0.2315(6) 0.152(4) Uani 1 1 d U . .
O4 O 0.1755(3) 0.5408(4) 0.3260(4) 0.093(2) Uani 1 1 d . . .
O5 O 0.06142(19) 0.0376(3) 0.2579(3) 0.0471(14) Uani 1 1 d . . .
O6 O 0.0491(2) 0.0407(3) 0.3632(3) 0.0436(14) Uani 1 1 d . . .
O7 O 0.1247(3) -0.2578(5) 0.2694(5) 0.109(3) Uani 1 1 d U . .
O8 O 0.1984(3) -0.2827(5) 0.3700(5) 0.112(3) Uani 1 1 d U . .
O9 O 0.0315(2) 0.1239(3) 0.0986(3) 0.0506(15) Uani 1 1 d . . .
O1W O 0.1201(4) -0.3690(4) 0.1452(5) 0.123(3) Uani 1 1 d U . .
H1WA H 0.1106 -0.4244 0.1301 0.147 Uiso 1 1 d R . .
H1WB H 0.1380 -0.3487 0.1187 0.147 Uiso 1 1 d R . .
O2W O 0.2381(4) -0.3596(6) 0.2622(6) 0.155(4) Uani 1 1 d U . .
H2WA H 0.2686 -0.3643 0.3163 0.186 Uiso 1 1 d R . .
H2WB H 0.2389 -0.3089 0.2385 0.186 Uiso 1 1 d 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
O9 Zn1 O1 98.7(2) . .
O9 Zn1 O6 104.3(2) . 2
O1 Zn1 O6 157.0(2) . 2
O9 Zn1 O5 98.1(2) . .
O1 Zn1 O5 86.7(2) . .
O6 Zn1 O5 89.7(2) 2 .
O9 Zn1 O2 102.4(2) . 2
O1 Zn1 O2 86.9(2) . 2
O6 Zn1 O2 88.6(2) 2 2
O5 Zn1 O2 159.2(2) . 2
O9 Zn1 Zn1 172.69(15) . 2
O1 Zn1 Zn1 75.79(17) . 2
O6 Zn1 Zn1 81.29(15) 2 2
O5 Zn1 Zn1 77.02(16) . 2
O2 Zn1 Zn1 82.26(17) 2 2
O4 Zn2 O1W 114.5(3) 1_545 .
O4 Zn2 O2W 103.4(4) 1_545 .
O1W Zn2 O2W 94.4(4) . .
O4 Zn2 O8 97.3(3) 1_545 .
O1W Zn2 O8 143.7(3) . .
O2W Zn2 O8 94.8(4) . .
O4 Zn2 O7 123.3(4) 1_545 .
O1W Zn2 O7 88.9(3) . .
O2W Zn2 O7 126.6(4) . .
O8 Zn2 O7 57.8(3) . .
O4 Zn2 C21 113.9(3) 1_545 .
O1W Zn2 C21 116.6(3) . .
O2W Zn2 C21 111.3(4) . .
O8 Zn2 C21 28.6(3) . .
O7 Zn2 C21 29.3(3) . .
O2 C1 O1 126.3(7) . .
O2 C1 C2 121.1(8) . .
O1 C1 C2 112.6(8) . .
C3 C2 C7 120.0(7) . .
C3 C2 C1 117.2(7) . .
C7 C2 C1 122.7(7) . .
C4 C3 C2 119.9(8) . .
C4 C3 H3 120.1 . .
C2 C3 H3 120.1 . .
C5 C4 C3 117.6(8) . .
C5 C4 C8 124.1(8) . .
C3 C4 C8 118.2(8) . .
C6 C5 C4 123.9(8) . .
C6 C5 H5 118.0 . .
C4 C5 H5 118.0 . .
C5 C6 C7 120.1(7) . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C6 C7 C2 118.4(7) . .
C6 C7 C9 120.5(7) . .
C2 C7 C9 120.9(7) . .
O4 C8 O3 119.5(10) . .
O4 C8 C4 120.1(10) . .
O3 C8 C4 119.8(9) . .
N1 C9 C10 121.3(8) . .
N1 C9 C7 118.5(7) . .
C10 C9 C7 120.2(7) . .
C11 C10 C9 120.8(8) . .
C11 C10 H10 119.6 . .
C9 C10 H10 119.6 . .
C10 C11 C12 119.7(8) . .
C10 C11 H11A 120.1 . .
C12 C11 H11A 120.1 . .
C11 C12 C13 119.5(8) . .
C11 C12 H12 120.3 . .
C13 C12 H12 120.3 . .
C12 C13 N1 119.8(7) . .
C12 C13 C14 119.9(7) . .
N1 C13 C14 120.1(7) . .
C19 C14 C15 118.4(7) . .
C19 C14 C13 119.3(7) . .
C15 C14 C13 121.9(6) . .
C16 C15 C14 119.7(7) . .
C16 C15 C20 118.9(6) . .
C14 C15 C20 121.4(6) . .
C15 C16 C17 121.7(7) . .
C15 C16 H16 119.1 . .
C17 C16 H16 119.1 . .
C16 C17 C18 119.7(8) . .
C16 C17 C21 122.8(8) . .
C18 C17 C21 117.5(8) . .
C19 C18 C17 119.0(8) . .
C19 C18 H18 120.5 . .
C17 C18 H18 120.5 . .
C14 C19 C18 121.3(8) . .
C14 C19 H19 119.4 . .
C18 C19 H19 119.4 . .
O6 C20 O5 125.7(6) . .
O6 C20 C15 117.9(6) . .
O5 C20 C15 116.0(7) . .
O8 C21 O7 115.9(10) . .
O8 C21 C17 122.3(10) . .
O7 C21 C17 121.7(10) . .
O8 C21 Zn2 56.7(6) . .
O7 C21 Zn2 59.5(6) . .
C17 C21 Zn2 178.0(7) . .
O9 C22 N2 120.8(8) . .
O9 C22 C23 129.9(8) . .
N2 C22 C23 109.3(7) . .
C22 C23 C24 104.8(9) . .
C22 C23 H23A 110.8 . .
C24 C23 H23A 110.8 . .
C22 C23 H23B 110.8 . .
C24 C23 H23B 110.8 . .
H23A C23 H23B 108.9 . .
C25 C24 C23 108.5(9) . .
C25 C24 H24A 110.0 . .
C23 C24 H24A 110.0 . .
C25 C24 H24B 110.0 . .
C23 C24 H24B 110.0 . .
H24A C24 H24B 108.4 . .
C24 C25 N2 102.9(7) . .
C24 C25 H25A 111.2 . .
N2 C25 H25A 111.2 . .
C24 C25 H25B 111.2 . .
N2 C25 H25B 111.2 . .
H25A C25 H25B 109.1 . .
N2 C26 H26A 109.5 . .
N2 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
N2 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C9 N1 C13 118.9(7) . .
C22 N2 C26 126.5(8) . .
C22 N2 C25 113.7(8) . .
C26 N2 C25 119.6(8) . .
C1 O1 Zn1 133.1(5) . .
C1 O2 Zn1 122.3(5) . 2
C8 O4 Zn2 123.3(7) . 1_565
C20 O5 Zn1 128.8(5) . .
C20 O6 Zn1 125.7(5) . 2
C21 O7 Zn2 91.2(7) . .
C21 O8 Zn2 94.8(7) . .
C22 O9 Zn1 126.2(6) . .
Zn2 O1W H1WA 109.1 . .
Zn2 O1W H1WB 108.9 . .
H1WA O1W H1WB 109.5 . .
Zn2 O2W H2WA 110.4 . .
Zn2 O2W H2WB 107.5 . .
H2WA O2W H2WB 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O9 1.964(5) .
Zn1 O1 1.988(5) .
Zn1 O6 2.018(5) 2
Zn1 O5 2.053(5) .
Zn1 O2 2.065(5) 2
Zn1 Zn1 2.9741(18) 2
Zn2 O4 1.906(7) 1_545
Zn2 O1W 2.018(8) .
Zn2 O2W 2.105(10) .
Zn2 O8 2.114(8) .
Zn2 O7 2.172(8) .
Zn2 C21 2.521(11) .
C1 O2 1.201(9) .
C1 O1 1.278(9) .
C1 C2 1.500(10) .
C2 C3 1.409(10) .
C2 C7 1.412(10) .
C3 C4 1.401(11) .
C3 H3 0.9300 .
C4 C5 1.374(12) .
C4 C8 1.496(13) .
C5 C6 1.345(12) .
C5 H5 0.9300 .
C6 C7 1.394(10) .
C6 H6 0.9300 .
C7 C9 1.491(10) .
C8 O4 1.167(10) .
C8 O3 1.244(11) .
C9 N1 1.375(10) .
C9 C10 1.399(12) .
C10 C11 1.385(12) .
C10 H10 0.9300 .
C11 C12 1.404(12) .
C11 H11A 0.9300 .
C12 C13 1.421(10) .
C12 H12 0.9300 .
C13 N1 1.428(10) .
C13 C14 1.481(10) .
C14 C19 1.361(10) .
C14 C15 1.425(9) .
C15 C16 1.335(9) .
C15 C20 1.517(9) .
C16 C17 1.370(10) .
C16 H16 0.9300 .
C17 C18 1.383(12) .
C17 C21 1.489(13) .
C18 C19 1.383(12) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 O6 1.227(8) .
C20 O5 1.254(8) .
C21 O8 1.209(10) .
C21 O7 1.234(11) .
C22 O9 1.252(8) .
C22 N2 1.326(11) .
C22 C23 1.437(12) .
C23 C24 1.504(12) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.439(14) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 N2 1.461(10) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 N2 1.384(10) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
O2 Zn1 2.065(5) 2
O4 Zn2 1.906(7) 1_565
O6 Zn1 2.018(5) 2
O1W H1WA 0.9600 .
O1W H1WB 0.9600 .
O2W H2WA 0.9600 .
O2W H2WB 0.9600 .
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
O2 C1 C2 C3 -122.9(9) . . . .
O1 C1 C2 C3 58.0(10) . . . .
O2 C1 C2 C7 53.4(12) . . . .
O1 C1 C2 C7 -125.8(8) . . . .
C7 C2 C3 C4 0.8(13) . . . .
C1 C2 C3 C4 177.2(8) . . . .
C2 C3 C4 C5 -3.2(13) . . . .
C2 C3 C4 C8 177.3(9) . . . .
C3 C4 C5 C6 4.6(14) . . . .
C8 C4 C5 C6 -176.0(10) . . . .
C4 C5 C6 C7 -3.4(14) . . . .
C5 C6 C7 C2 0.6(13) . . . .
C5 C6 C7 C9 176.5(8) . . . .
C3 C2 C7 C6 0.5(13) . . . .
C1 C2 C7 C6 -175.6(8) . . . .
C3 C2 C7 C9 -175.3(8) . . . .
C1 C2 C7 C9 8.6(13) . . . .
C5 C4 C8 O4 -2.4(17) . . . .
C3 C4 C8 O4 177.0(10) . . . .
C5 C4 C8 O3 -173.1(12) . . . .
C3 C4 C8 O3 6.3(17) . . . .
C6 C7 C9 N1 -131.1(9) . . . .
C2 C7 C9 N1 44.7(12) . . . .
C6 C7 C9 C10 48.9(13) . . . .
C2 C7 C9 C10 -135.3(9) . . . .
N1 C9 C10 C11 2.4(14) . . . .
C7 C9 C10 C11 -177.6(9) . . . .
C9 C10 C11 C12 -2.0(16) . . . .
C10 C11 C12 C13 0.1(15) . . . .
C11 C12 C13 N1 1.4(13) . . . .
C11 C12 C13 C14 176.6(9) . . . .
C12 C13 C14 C19 -45.3(12) . . . .
N1 C13 C14 C19 129.9(8) . . . .
C12 C13 C14 C15 141.4(8) . . . .
N1 C13 C14 C15 -43.4(11) . . . .
C19 C14 C15 C16 0.3(12) . . . .
C13 C14 C15 C16 173.6(8) . . . .
C19 C14 C15 C20 178.3(7) . . . .
C13 C14 C15 C20 -8.4(12) . . . .
C14 C15 C16 C17 -0.3(12) . . . .
C20 C15 C16 C17 -178.4(7) . . . .
C15 C16 C17 C18 2.6(14) . . . .
C15 C16 C17 C21 -175.4(8) . . . .
C16 C17 C18 C19 -4.8(14) . . . .
C21 C17 C18 C19 173.3(9) . . . .
C15 C14 C19 C18 -2.5(13) . . . .
C13 C14 C19 C18 -176.0(8) . . . .
C17 C18 C19 C14 4.8(14) . . . .
C16 C15 C20 O6 122.7(8) . . . .
C14 C15 C20 O6 -55.3(10) . . . .
C16 C15 C20 O5 -50.0(10) . . . .
C14 C15 C20 O5 132.0(7) . . . .
C16 C17 C21 O8 174.2(10) . . . .
C18 C17 C21 O8 -3.8(15) . . . .
C16 C17 C21 O7 -9.4(16) . . . .
C18 C17 C21 O7 172.6(10) . . . .
C16 C17 C21 Zn2 116(21) . . . .
C18 C17 C21 Zn2 -62(21) . . . .
O4 Zn2 C21 O8 58.4(8) 1_545 . . .
O1W Zn2 C21 O8 -164.8(7) . . . .
O2W Zn2 C21 O8 -58.0(8) . . . .
O7 Zn2 C21 O8 174.3(12) . . . .
O4 Zn2 C21 O7 -115.9(7) 1_545 . . .
O1W Zn2 C21 O7 20.9(8) . . . .
O2W Zn2 C21 O7 127.7(7) . . . .
O8 Zn2 C21 O7 -174.3(12) . . . .
O4 Zn2 C21 C17 118(21) 1_545 . . .
O1W Zn2 C21 C17 -106(21) . . . .
O2W Zn2 C21 C17 1(21) . . . .
O8 Zn2 C21 C17 59(21) . . . .
O7 Zn2 C21 C17 -127(21) . . . .
O9 C22 C23 C24 -176.7(10) . . . .
N2 C22 C23 C24 2.7(12) . . . .
C22 C23 C24 C25 -7.6(13) . . . .
C23 C24 C25 N2 9.0(12) . . . .
C10 C9 N1 C13 -0.9(12) . . . .
C7 C9 N1 C13 179.1(7) . . . .
C12 C13 N1 C9 -1.0(12) . . . .
C14 C13 N1 C9 -176.2(7) . . . .
O9 C22 N2 C26 -2.4(15) . . . .
C23 C22 N2 C26 178.1(11) . . . .
O9 C22 N2 C25 -177.3(8) . . . .
C23 C22 N2 C25 3.2(11) . . . .
C24 C25 N2 C22 -7.9(11) . . . .
C24 C25 N2 C26 176.9(10) . . . .
O2 C1 O1 Zn1 -3.4(12) . . . .
C2 C1 O1 Zn1 175.7(5) . . . .
O9 Zn1 O1 C1 -175.3(6) . . . .
O6 Zn1 O1 C1 3.6(10) 2 . . .
O5 Zn1 O1 C1 -77.7(6) . . . .
O2 Zn1 O1 C1 82.6(7) 2 . . .
Zn1 Zn1 O1 C1 -0.2(6) 2 . . .
O1 C1 O2 Zn1 5.9(11) . . . 2
C2 C1 O2 Zn1 -173.1(5) . . . 2
O3 C8 O4 Zn2 -3.3(19) . . . 1_565
C4 C8 O4 Zn2 -174.1(7) . . . 1_565
O6 C20 O5 Zn1 16.7(11) . . . .
C15 C20 O5 Zn1 -171.2(4) . . . .
O9 Zn1 O5 C20 165.1(6) . . . .
O1 Zn1 O5 C20 66.7(6) . . . .
O6 Zn1 O5 C20 -90.6(6) 2 . . .
O2 Zn1 O5 C20 -5.5(10) 2 . . .
Zn1 Zn1 O5 C20 -9.4(6) 2 . . .
O5 C20 O6 Zn1 -13.1(10) . . . 2
C15 C20 O6 Zn1 175.0(4) . . . 2
O8 C21 O7 Zn2 -5.3(11) . . . .
C17 C21 O7 Zn2 178.1(8) . . . .
O4 Zn2 O7 C21 79.7(8) 1_545 . . .
O1W Zn2 O7 C21 -161.4(7) . . . .
O2W Zn2 O7 C21 -66.7(8) . . . .
O8 Zn2 O7 C21 3.2(7) . . . .
O7 C21 O8 Zn2 5.5(11) . . . .
C17 C21 O8 Zn2 -177.9(8) . . . .
O4 Zn2 O8 C21 -128.3(7) 1_545 . . .
O1W Zn2 O8 C21 23.3(11) . . . .
O2W Zn2 O8 C21 127.5(7) . . . .
O7 Zn2 O8 C21 -3.3(7) . . . .
N2 C22 O9 Zn1 175.3(6) . . . .
C23 C22 O9 Zn1 -5.4(14) . . . .
O1 Zn1 O9 C22 -139.0(6) . . . .
O6 Zn1 O9 C22 41.5(7) 2 . . .
O5 Zn1 O9 C22 133.2(6) . . . .
O2 Zn1 O9 C22 -50.2(7) 2 . . .
Zn1 Zn1 O9 C22 -180(71) 2 . . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.267 0.233 0.358 3297.8 858.4
