#------------------------------------------------------------------------------
#$Date: 2016-04-05 22:15:48 +0300 (Tue, 05 Apr 2016) $
#$Revision: 181776 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/52/7055204.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_7055204
loop_
_publ_author_name
'Yao, Wan-Ting'
'Luo, Ming-Biao'
'Feng, Xue-Feng'
'Meng, Pan-Pan'
'Gong, Le-Le'
'Luo, Feng'
_publ_section_title
;
 Construction of structural diversity and fine-tuned porosity in acylamide
 MOFs by a synthetic approach
;
_journal_issue                   3
_journal_name_full               'New J. Chem.'
_journal_page_first              2021
_journal_paper_doi               10.1039/C5NJ02634B
_journal_volume                  40
_journal_year                    2016
_chemical_formula_sum            'C23 H14 N4 O5 Zn'
_chemical_formula_weight         491.75
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-06-26 deposited with the CCDC.
2015-12-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.062(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.202(5)
_cell_length_b                   17.211(5)
_cell_length_c                   18.875(6)
_cell_measurement_reflns_used    3402
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.71
_cell_measurement_theta_min      2.36
_cell_volume                     5103(3)
_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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0527
_diffrn_reflns_av_sigmaI/netI    0.1036
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14869
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    0.500
_exptl_absorpt_correction_T_max  0.9154
_exptl_absorpt_correction_T_min  0.9067
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    0.640
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_platon_squeeze_details
;
;
_refine_diff_density_max         1.267
_refine_diff_density_min         -1.160
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.832
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         8823
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.832
_refine_ls_R_factor_all          0.0982
_refine_ls_R_factor_gt           0.0586
_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)+(0.0817P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1357
_refine_ls_wR_factor_ref         0.1536
_reflns_number_gt                4631
_reflns_number_total             8823
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5nj02634b2.cif
_cod_data_source_block           zn_01_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/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.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7055203--7055206.cif.
;
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               7055204
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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 0.0000 0.5503(4) 0.2500 0.0508(15) Uani 1 2 d S
C2 C 0.15547(19) 0.3990(2) 0.2629(2) 0.0437(9) Uani 1 1 d .
C3 C 0.0000 0.6378(4) 0.2500 0.0649(18) Uani 1 2 d S
C4 C 0.0000 0.2494(4) 0.2500 0.0554(16) Uani 1 2 d S
C5 C 0.1551(2) 0.3922(2) 0.50135(18) 0.0481(9) Uani 1 1 d .
C6 C 0.2440(2) 0.3974(2) 0.2659(2) 0.0530(10) Uani 1 1 d .
C7 C 0.0555(3) 0.6776(3) 0.3142(3) 0.0873(15) Uani 1 1 d .
H7 H 0.0928 0.6498 0.3567 0.105 Uiso 1 1 calc R
C8 C 0.3141(2) 0.3889(3) 0.3356(2) 0.0824(16) Uani 1 1 d .
H8 H 0.3063 0.3828 0.3812 0.099 Uiso 1 1 calc R
C9 C 0.0146(3) 0.4024(3) 0.4832(2) 0.0762(14) Uani 1 1 d .
H9 H -0.0426 0.4042 0.4494 0.091 Uiso 1 1 calc R
C10 C 0.1794(3) 0.3923(3) 0.5817(2) 0.0704(13) Uani 1 1 d .
C11 C 0.2578(2) 0.4060(3) 0.1988(2) 0.0719(14) Uani 1 1 d .
H11 H 0.2116 0.4137 0.1517 0.086 Uiso 1 1 calc R
C12 C 0.3390(2) 0.4032(3) 0.2006(2) 0.0826(15) Uani 1 1 d .
H12 H 0.3469 0.4068 0.1548 0.099 Uiso 1 1 calc R
C13 C 0.4083(2) 0.3949(3) 0.2710(2) 0.0759(14) Uani 1 1 d .
C14 C 0.0000 0.1630(4) 0.2500 0.0733(19) Uani 1 2 d S
C15 C 0.3947(2) 0.3894(3) 0.3381(3) 0.0996(19) Uani 1 1 d .
H15 H 0.4411 0.3859 0.3857 0.120 Uiso 1 1 calc R
C16 C 0.1192(3) 0.3997(3) 0.6122(2) 0.0945(17) Uani 1 1 d .
H16 H 0.1349 0.4010 0.6656 0.113 Uiso 1 1 calc R
C17 C 0.0356(3) 0.4050(3) 0.5613(3) 0.113(2) Uani 1 1 d .
H17 H -0.0067 0.4104 0.5797 0.136 Uiso 1 1 calc R
C18 C 0.0000 0.7941(5) 0.2500 0.140(4) Uani 1 2 d S
C19 C 0.3331(3) 0.3875(4) 0.6188(3) 0.118(2) Uani 1 1 d .
C20 C 0.0000 -0.0045(6) 0.2500 0.148(5) Uani 1 2 d S
C21 C 0.0280(4) 0.1208(3) 0.3182(4) 0.118(2) Uani 1 1 d .
H21 H 0.0471 0.1455 0.3661 0.141 Uiso 1 1 calc R
C22 C 0.0569(5) 0.7559(4) 0.3167(4) 0.128(2) Uani 1 1 d .
H22 H 0.0935 0.7831 0.3601 0.153 Uiso 1 1 calc R
C23 C 0.0268(5) 0.0391(4) 0.3129(5) 0.152(3) Uani 1 1 d .
H23 H 0.0476 0.0125 0.3599 0.182 Uiso 1 1 calc R
C24 C 0.4202(3) 0.3861(4) 0.6896(3) 0.119(2) Uani 1 1 d .
C25 C 0.4291(4) 0.3910(6) 0.7617(4) 0.219(5) Uani 1 1 d .
H25 H 0.3810 0.3929 0.7724 0.263 Uiso 1 1 calc R
C26 C 0.4889(4) 0.3936(6) 0.6762(4) 0.237(6) Uani 1 1 d .
H26 H 0.4840 0.4007 0.6257 0.284 Uiso 1 1 calc R
N1 N 0.49593(19) 0.3935(2) 0.28094(19) 0.0825(12) Uani 1 1 d .
N2 N 0.0185(5) -0.0992(3) 0.2790(2) 0.142(2) Uani 1 1 d .
N3 N 0.07210(17) 0.39748(17) 0.45354(16) 0.0472(7) Uani 1 1 d .
N4 N 0.2654(2) 0.3881(3) 0.6352(2) 0.0968(14) Uani 1 1 d .
H4 H 0.2747 0.3857 0.6835 0.116 Uiso 1 1 calc R
O1 O 0.03629(16) 0.51605(16) 0.31471(14) 0.0542(7) Uani 1 1 d .
O2 O 0.01799(18) 0.28207(16) 0.31389(16) 0.0668(8) Uani 1 1 d .
O3 O 0.14776(14) 0.39035(15) 0.32615(14) 0.0573(7) Uani 1 1 d .
O4 O 0.09597(14) 0.40777(15) 0.19786(14) 0.0546(7) Uani 1 1 d .
O5 O 0.3323(2) 0.3905(3) 0.5530(2) 0.172(2) Uani 1 1 d .
Zn1 Zn 0.03464(2) 0.39804(2) 0.33590(2) 0.03616(15) 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'
O O 0.0106 0.0060 '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'
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 C1 O1 124.5(6) . 2
O1 C1 C3 117.7(3) . .
O1 C1 C3 117.7(3) 2 .
O4 C2 O3 125.8(3) . .
O4 C2 C6 116.9(3) . .
O3 C2 C6 117.3(3) . .
C7 C3 C7 120.5(7) . 2
C7 C3 C1 119.7(4) . .
C7 C3 C1 119.7(4) 2 .
O2 C4 O2 126.5(6) . 2
O2 C4 C14 116.8(3) . .
O2 C4 C14 116.8(3) 2 .
N3 C5 C10 119.5(3) . .
C8 C6 C11 118.2(3) . .
C8 C6 C2 121.0(3) . .
C11 C6 C2 120.8(3) . .
C22 C7 C3 121.5(6) . .
C22 C7 H7 119.3 . .
C3 C7 H7 119.3 . .
C15 C8 C6 120.7(4) . .
C15 C8 H8 119.7 . .
C6 C8 H8 119.7 . .
N3 C9 C17 123.0(4) . .
N3 C9 H9 118.5 . .
C17 C9 H9 118.5 . .
C16 C10 C5 120.6(4) . .
C16 C10 N4 116.8(4) . .
C5 C10 N4 122.5(4) . .
C12 C11 C6 121.4(4) . .
C12 C11 H11 119.3 . .
C6 C11 H11 119.3 . .
C11 C12 C13 119.5(4) . .
C11 C12 H12 120.2 . .
C13 C12 H12 120.2 . .
C15 C13 C12 119.0(3) . .
C15 C13 N1 116.1(3) . .
C12 C13 N1 124.9(4) . .
C21 C14 C21 116.5(7) 2 .
C21 C14 C4 121.7(4) 2 .
C21 C14 C4 121.7(4) . .
C8 C15 C13 121.2(4) . .
C8 C15 H15 119.4 . .
C13 C15 H15 119.4 . .
C17 C16 C10 117.7(4) . .
C17 C16 H16 121.1 . .
C10 C16 H16 121.1 . .
C16 C17 C9 119.6(4) . .
C16 C17 H17 120.2 . .
C9 C17 H17 120.2 . .
C22 C18 C22 124.2(9) 2 .
C22 C18 N2 133.0(5) 2 1_565
C22 C18 N2 102.7(4) . 1_565
C22 C18 N2 102.7(4) 2 2_565
C22 C18 N2 133.0(5) . 2_565
N2 C18 N2 31.0(3) 1_565 2_565
O5 C19 N4 125.8(5) . .
O5 C19 C24 118.5(5) . .
N4 C19 C24 115.7(5) . .
C23 C20 C23 110.7(11) . 2
C23 C20 N2 141.5(6) . 2
C23 C20 N2 107.6(5) 2 2
C23 C20 N2 107.6(5) . .
C23 C20 N2 141.5(6) 2 .
N2 C20 N2 34.7(4) 2 .
C14 C21 C23 118.0(6) . .
C14 C21 H21 121.0 . .
C23 C21 H21 121.0 . .
C7 C22 C18 116.1(7) . .
C7 C22 H22 121.9 . .
C18 C22 H22 121.9 . .
C20 C23 C21 128.4(8) . .
C20 C23 H23 115.8 . .
C21 C23 H23 115.8 . .
C25 C24 C26 117.5(5) . .
C25 C24 C19 123.8(6) . .
C26 C24 C19 117.6(6) . .
C24 C25 C26 121.1(7) . 2_656
C24 C25 H25 119.5 . .
C26 C25 H25 119.5 2_656 .
C24 C26 C25 120.5(7) . 2_656
C24 C26 H26 119.8 . .
C25 C26 H26 119.8 2_656 .
N1 N1 C13 113.2(4) 2_655 .
N2 N2 C20 72.66(18) 2 .
N2 N2 C18 74.50(15) 2 1_545
C20 N2 C18 147.2(3) . 1_545
C9 N3 C5 119.5(3) . .
C9 N3 Zn1 120.0(2) . .
C5 N3 Zn1 120.5(2) . .
C19 N4 C10 126.8(4) . .
C19 N4 H4 116.6 . .
C10 N4 H4 116.6 . .
C1 O1 Zn1 127.0(3) . .
C4 O2 Zn1 126.7(3) . .
C2 O3 Zn1 123.5(2) . .
C2 O4 Zn1 130.1(2) . 2
O3 Zn1 O2 88.73(11) . .
O3 Zn1 N3 102.04(10) . .
O2 Zn1 N3 99.96(11) . .
O3 Zn1 O1 87.56(10) . .
O2 Zn1 O1 159.01(10) . .
N3 Zn1 O1 101.02(11) . .
O3 Zn1 O4 158.96(9) . 2
O2 Zn1 O4 88.39(11) . 2
N3 Zn1 O4 98.98(10) . 2
O1 Zn1 O4 87.71(10) . 2
O3 Zn1 Zn1 82.74(7) . 2
O2 Zn1 Zn1 79.42(8) . 2
N3 Zn1 Zn1 175.18(8) . 2
O1 Zn1 Zn1 79.62(7) . 2
O4 Zn1 Zn1 76.25(7) 2 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.268(3) .
C1 O1 1.268(3) 2
C1 C3 1.506(8) .
C2 O4 1.246(4) .
C2 O3 1.263(4) .
C2 C6 1.502(4) .
C3 C7 1.380(5) .
C3 C7 1.380(5) 2
C4 O2 1.250(3) .
C4 O2 1.250(3) 2
C4 C14 1.486(8) .
C5 N3 1.346(4) .
C5 C10 1.399(5) .
C6 C8 1.383(5) .
C6 C11 1.387(5) .
C7 C22 1.348(7) .
C7 H7 0.9300 .
C8 C15 1.368(5) .
C8 H8 0.9300 .
C9 N3 1.322(4) .
C9 C17 1.369(5) .
C9 H9 0.9300 .
C10 C16 1.381(6) .
C10 N4 1.414(5) .
C11 C12 1.384(5) .
C11 H11 0.9300 .
C12 C13 1.385(5) .
C12 H12 0.9300 .
C13 C15 1.381(5) .
C13 N1 1.441(4) .
C14 C21 1.382(6) 2
C14 C21 1.382(6) .
C15 H15 0.9300 .
C16 C17 1.368(6) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C22 1.403(6) 2
C18 C22 1.403(6) .
C18 N2 1.906(9) 1_565
C18 N2 1.906(9) 2_565
C19 O5 1.238(6) .
C19 N4 1.320(6) .
C19 C24 1.549(6) .
C20 C23 1.318(7) .
C20 C23 1.318(7) 2
C20 N2 1.709(10) 2
C20 N2 1.709(10) .
C21 C23 1.409(7) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 C25 1.309(8) .
C24 C26 1.312(8) .
C25 C26 1.419(8) 2_656
C25 H25 0.9300 .
C26 C25 1.419(8) 2_656
C26 H26 0.9300 .
N1 N1 1.232(6) 2_655
N2 N2 1.019(9) 2
N2 C18 1.906(9) 1_545
N3 Zn1 2.044(3) .
N4 H4 0.8600 .
O1 Zn1 2.072(3) .
O2 Zn1 2.035(3) .
O3 Zn1 2.032(2) .
O4 Zn1 2.077(2) 2
Zn1 O4 2.077(2) 2
Zn1 Zn1 2.9638(12) 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 C1 C3 C7 16.2(3) . .
O1 C1 C3 C7 -163.8(3) 2 .
O1 C1 C3 C7 -163.8(3) . 2
O1 C1 C3 C7 16.2(3) 2 2
O4 C2 C6 C8 179.2(4) . .
O3 C2 C6 C8 -1.7(6) . .
O4 C2 C6 C11 0.4(6) . .
O3 C2 C6 C11 179.5(4) . .
C7 C3 C7 C22 0.6(4) 2 .
C1 C3 C7 C22 -179.4(4) . .
C11 C6 C8 C15 0.4(7) . .
C2 C6 C8 C15 -178.4(4) . .
N3 C5 C10 C16 -1.6(7) . .
N3 C5 C10 N4 -179.0(4) . .
C8 C6 C11 C12 2.4(7) . .
C2 C6 C11 C12 -178.8(4) . .
C6 C11 C12 C13 -2.7(7) . .
C11 C12 C13 C15 0.2(8) . .
C11 C12 C13 N1 -178.1(4) . .
O2 C4 C14 C21 172.7(3) . 2
O2 C4 C14 C21 -7.3(3) 2 2
O2 C4 C14 C21 -7.3(3) . .
O2 C4 C14 C21 172.7(3) 2 .
C6 C8 C15 C13 -2.9(8) . .
C12 C13 C15 C8 2.6(8) . .
N1 C13 C15 C8 -179.0(5) . .
C5 C10 C16 C17 1.5(8) . .
N4 C10 C16 C17 179.0(5) . .
C10 C16 C17 C9 0.4(9) . .
N3 C9 C17 C16 -2.3(9) . .
C21 C14 C21 C23 0.8(4) 2 .
C4 C14 C21 C23 -179.2(4) . .
C3 C7 C22 C18 -1.1(8) . .
C22 C18 C22 C7 0.5(4) 2 .
N2 C18 C22 C7 177.4(5) 1_565 .
N2 C18 C22 C7 -175.4(4) 2_565 .
C23 C20 C23 C21 0.9(5) 2 .
N2 C20 C23 C21 -173.4(6) 2 .
N2 C20 C23 C21 177.2(6) . .
C14 C21 C23 C20 -1.8(10) . .
O5 C19 C24 C25 172.6(8) . .
N4 C19 C24 C25 -5.1(11) . .
O5 C19 C24 C26 4.7(11) . .
N4 C19 C24 C26 -173.1(7) . .
C26 C24 C25 C26 -8.6(12) . 2_656
C19 C24 C25 C26 -176.5(8) . 2_656
C25 C24 C26 C25 12.7(12) . 2_656
C19 C24 C26 C25 -178.6(8) . 2_656
C15 C13 N1 N1 175.6(4) . 2_655
C12 C13 N1 N1 -6.2(6) . 2_655
C23 C20 N2 N2 169.7(8) . 2
C23 C20 N2 N2 -15.9(13) 2 2
C23 C20 N2 C18 169.7(8) . 1_545
C23 C20 N2 C18 -15.9(13) 2 1_545
N2 C20 N2 C18 0.000(1) 2 1_545
C17 C9 N3 C5 2.2(7) . .
C17 C9 N3 Zn1 -177.7(4) . .
C10 C5 N3 C9 -0.2(6) . .
C10 C5 N3 Zn1 179.7(3) . .
O5 C19 N4 C10 0.0(11) . .
C24 C19 N4 C10 177.5(5) . .
C16 C10 N4 C19 -173.9(6) . .
C5 C10 N4 C19 3.6(8) . .
O1 C1 O1 Zn1 -8.03(11) 2 .
C3 C1 O1 Zn1 171.97(11) . .
O2 C4 O2 Zn1 -6.24(13) 2 .
C14 C4 O2 Zn1 173.76(13) . .
O4 C2 O3 Zn1 -5.4(6) . .
C6 C2 O3 Zn1 175.7(2) . .
O3 C2 O4 Zn1 -8.7(6) . 2
C6 C2 O4 Zn1 170.3(2) . 2
C2 O3 Zn1 O2 89.7(3) . .
C2 O3 Zn1 N3 -170.4(3) . .
C2 O3 Zn1 O1 -69.7(3) . .
C2 O3 Zn1 O4 7.5(5) . 2
C2 O3 Zn1 Zn1 10.2(3) . 2
C4 O2 Zn1 O3 -73.0(2) . .
C4 O2 Zn1 N3 -175.0(2) . .
C4 O2 Zn1 O1 6.8(5) . .
C4 O2 Zn1 O4 86.1(2) . 2
C4 O2 Zn1 Zn1 9.8(2) . 2
C9 N3 Zn1 O3 179.5(3) . .
C5 N3 Zn1 O3 -0.5(3) . .
C9 N3 Zn1 O2 -89.7(3) . .
C5 N3 Zn1 O2 90.4(3) . .
C9 N3 Zn1 O1 89.6(3) . .
C5 N3 Zn1 O1 -90.3(3) . .
C9 N3 Zn1 O4 0.2(3) . 2
C5 N3 Zn1 O4 -179.7(3) . 2
C9 N3 Zn1 Zn1 -7.6(12) . 2
C5 N3 Zn1 Zn1 172.5(8) . 2
C1 O1 Zn1 O3 95.9(2) . .
C1 O1 Zn1 O2 15.9(4) . .
C1 O1 Zn1 N3 -162.29(19) . .
C1 O1 Zn1 O4 -63.6(2) . 2
C1 O1 Zn1 Zn1 12.85(17) . 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
_platon_squeeze_void_content
1 -0.018 0.000 -0.005 3390 825 ' '
