#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:09:40 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179654 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/07/4510761.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_4510761
loop_
_publ_author_name
'Shi, Zhi-Qiang'
'Li, Yi-Zhi'
'Guo, Zi-Jian'
'Zheng, He-Gen'
_publ_section_title
;
 Six New 2D or 3D Metal--Organic Frameworks Based on
 Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures,
 and Properties
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3078
_journal_paper_doi               10.1021/cg400490y
_journal_volume                  13
_journal_year                    2013
_chemical_formula_moiety         'C26 H14 F6 N O4 S Zn'
_chemical_formula_sum            'C26 H14 F6 N O4 S Zn'
_chemical_formula_weight         615.81
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 96.993(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.4994(14)
_cell_length_b                   7.5708(7)
_cell_length_c                   23.427(2)
_cell_measurement_reflns_used    3249
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.57
_cell_measurement_theta_min      2.65
_cell_volume                     2728.5(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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_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  0.0450
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            12967
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.32
_exptl_absorpt_coefficient_mu    1.049
_exptl_absorpt_correction_T_max  0.8176
_exptl_absorpt_correction_T_min  0.7437
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1236
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.520
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4762
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0346
_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)+(0.0391P)²+0.0100P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0845
_refine_ls_wR_factor_ref         0.0887
_reflns_number_gt                3781
_reflns_number_total             4762
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg400490y_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/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 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               4510761
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 0.57015(17) 0.3714(4) 0.41472(12) 0.0177(6) Uani 1 1 d U
C2 C 0.62427(17) 0.3035(4) 0.37010(11) 0.0171(6) Uani 1 1 d U
C3 C 0.69341(17) 0.4029(4) 0.35530(12) 0.0205(6) Uani 1 1 d U
H3 H 0.7025 0.5163 0.3701 0.025 Uiso 1 1 calc R
C4 C 0.74922(18) 0.3345(4) 0.31858(12) 0.0206(6) Uani 1 1 d U
H4 H 0.7953 0.4024 0.3088 0.025 Uiso 1 1 calc R
C5 C 0.73622(17) 0.1649(4) 0.29646(11) 0.0188(6) Uani 1 1 d U
C6 C 0.66457(17) 0.0681(4) 0.30993(12) 0.0201(6) Uani 1 1 d U
H6 H 0.6539 -0.0435 0.2940 0.024 Uiso 1 1 calc R
C7 C 0.60957(18) 0.1360(4) 0.34648(12) 0.0208(6) Uani 1 1 d U
H7 H 0.5625 0.0696 0.3554 0.025 Uiso 1 1 calc R
C8 C 0.79966(17) 0.0727(4) 0.25981(12) 0.0202(6) Uani 1 1 d U
C9 C 0.85795(19) -0.0471(4) 0.30198(13) 0.0266(7) Uani 1 1 d U
C10 C 0.85893(18) 0.2040(4) 0.23263(13) 0.0242(7) Uani 1 1 d U
C11 C 0.74911(17) -0.0306(4) 0.20975(12) 0.0197(6) Uani 1 1 d U
C12 C 0.77180(18) -0.1999(4) 0.19362(12) 0.0232(6) Uani 1 1 d U
H12 H 0.8204 -0.2551 0.2130 0.028 Uiso 1 1 calc R
C13 C 0.72216(18) -0.2868(4) 0.14874(13) 0.0235(6) Uani 1 1 d U
H13 H 0.7376 -0.4002 0.1386 0.028 Uiso 1 1 calc R
C14 C 0.64955(17) -0.2059(4) 0.11887(12) 0.0159(6) Uani 1 1 d U
C15 C 0.62837(17) -0.0354(3) 0.13400(12) 0.0172(6) Uani 1 1 d U
H15 H 0.5809 0.0212 0.1138 0.021 Uiso 1 1 calc R
C16 C 0.67715(17) 0.0510(4) 0.17886(11) 0.0176(6) Uani 1 1 d U
H16 H 0.6619 0.1650 0.1886 0.021 Uiso 1 1 calc R
C17 C 0.59474(17) -0.3033(4) 0.07211(12) 0.0178(6) Uani 1 1 d U
C18 C 0.25792(18) 0.2261(4) 0.45664(13) 0.0258(7) Uani 1 1 d U
H18 H 0.2528 0.3353 0.4383 0.031 Uiso 1 1 calc R
C19 C 0.18585(19) 0.1180(4) 0.45258(14) 0.0309(7) Uani 1 1 d U
H19 H 0.1338 0.1537 0.4318 0.037 Uiso 1 1 calc R
C20 C 0.19198(18) -0.0462(4) 0.48016(13) 0.0226(6) Uani 1 1 d U
C21 C 0.27223(18) -0.0913(4) 0.50961(13) 0.0228(6) Uani 1 1 d U
H21 H 0.2795 -0.1999 0.5282 0.027 Uiso 1 1 calc R
C22 C 0.34102(17) 0.0247(4) 0.51133(12) 0.0181(6) Uani 1 1 d U
H22 H 0.3941 -0.0083 0.5314 0.022 Uiso 1 1 calc R
C23 C 0.11740(19) -0.1662(4) 0.47703(14) 0.0285(7) Uani 1 1 d U
C24 C 0.0368(2) -0.1487(5) 0.44784(18) 0.0557(10) Uani 1 1 d U
H24 H 0.0200 -0.0522 0.4246 0.067 Uiso 1 1 calc R
C25 C -0.0189(2) -0.2900(5) 0.45608(19) 0.0585(11) Uani 1 1 d U
H25 H -0.0762 -0.2954 0.4390 0.070 Uiso 1 1 calc R
C26 C 0.0187(2) -0.4178(4) 0.49119(15) 0.0361(8) Uani 1 1 d U
F1 F 0.81325(11) -0.1848(2) 0.31924(7) 0.0311(4) Uani 1 1 d .
F2 F 0.88960(11) 0.0408(2) 0.34965(7) 0.0359(5) Uani 1 1 d .
F3 F 0.92659(10) -0.1128(2) 0.27945(7) 0.0328(4) Uani 1 1 d .
F4 F 0.91681(10) 0.2847(2) 0.27093(7) 0.0319(4) Uani 1 1 d .
F5 F 0.90384(10) 0.1255(2) 0.19441(7) 0.0309(4) Uani 1 1 d .
F6 F 0.81181(10) 0.3330(2) 0.20368(7) 0.0281(4) Uani 1 1 d .
N1 N 0.33500(13) 0.1825(3) 0.48555(9) 0.0149(5) Uani 1 1 d .
O1 O 0.59522(12) 0.5138(3) 0.43905(8) 0.0254(5) Uani 1 1 d .
O2 O 0.50746(12) 0.2783(3) 0.42632(8) 0.0209(4) Uani 1 1 d .
O3 O 0.52849(12) -0.2250(2) 0.04788(8) 0.0215(4) Uani 1 1 d .
O4 O 0.61897(12) -0.4562(2) 0.06034(9) 0.0240(5) Uani 1 1 d .
S1 S 0.12352(5) -0.36064(11) 0.51572(4) 0.0341(2) Uani 1 1 d .
Zn1 Zn 0.437994(19) 0.34906(4) 0.491309(13) 0.01283(10) 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
O2 C1 O1 125.9(2) . .
O2 C1 C2 117.9(2) . .
O1 C1 C2 116.0(2) . .
C3 C2 C7 119.3(2) . .
C3 C2 C1 120.0(2) . .
C7 C2 C1 120.6(2) . .
C2 C3 C4 120.7(3) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C5 C4 C3 120.1(3) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 C6 118.9(2) . .
C4 C5 C8 123.4(2) . .
C6 C5 C8 117.7(2) . .
C7 C6 C5 120.9(3) . .
C7 C6 H6 119.6 . .
C5 C6 H6 119.6 . .
C6 C7 C2 120.2(3) . .
C6 C7 H7 119.9 . .
C2 C7 H7 119.9 . .
C11 C8 C10 106.6(2) . .
C11 C8 C5 110.6(2) . .
C10 C8 C5 112.9(2) . .
C11 C8 C9 113.0(2) . .
C10 C8 C9 108.1(2) . .
C5 C8 C9 105.7(2) . .
F3 C9 F2 106.6(2) . .
F3 C9 F1 107.1(2) . .
F2 C9 F1 106.5(2) . .
F3 C9 C8 113.3(2) . .
F2 C9 C8 111.5(2) . .
F1 C9 C8 111.4(2) . .
F4 C10 F5 106.9(2) . .
F4 C10 F6 106.5(2) . .
F5 C10 F6 106.2(2) . .
F4 C10 C8 113.7(2) . .
F5 C10 C8 112.0(2) . .
F6 C10 C8 111.1(2) . .
C12 C11 C16 118.6(3) . .
C12 C11 C8 123.5(2) . .
C16 C11 C8 118.0(2) . .
C13 C12 C11 120.4(3) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C12 C13 C14 120.7(3) . .
C12 C13 H13 119.7 . .
C14 C13 H13 119.7 . .
C15 C14 C13 118.8(3) . .
C15 C14 C17 121.0(2) . .
C13 C14 C17 120.2(2) . .
C16 C15 C14 120.7(3) . .
C16 C15 H15 119.7 . .
C14 C15 H15 119.7 . .
C15 C16 C11 120.8(3) . .
C15 C16 H16 119.6 . .
C11 C16 H16 119.6 . .
O4 C17 O3 125.7(3) . .
O4 C17 C14 117.1(2) . .
O3 C17 C14 117.2(2) . .
N1 C18 C19 123.6(3) . .
N1 C18 H18 118.2 . .
C19 C18 H18 118.2 . .
C18 C19 C20 119.1(3) . .
C18 C19 H19 120.4 . .
C20 C19 H19 120.4 . .
C21 C20 C19 117.0(3) . .
C21 C20 C23 121.7(3) . .
C19 C20 C23 121.3(3) . .
C22 C21 C20 120.0(3) . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
N1 C22 C21 123.0(3) . .
N1 C22 H22 118.5 . .
C21 C22 H22 118.5 . .
C24 C23 C20 129.6(3) . .
C24 C23 S1 109.7(2) . .
C20 C23 S1 120.7(2) . .
C23 C24 C25 113.6(3) . .
C23 C24 H24 123.2 . .
C25 C24 H24 123.2 . .
C26 C25 C24 113.7(3) . .
C26 C25 H25 123.1 . .
C24 C25 H25 123.1 . .
C25 C26 C26 128.9(4) . 3_546
C25 C26 S1 110.1(2) . .
C26 C26 S1 121.1(3) 3_546 .
C22 N1 C18 117.2(2) . .
C22 N1 Zn1 121.00(18) . .
C18 N1 Zn1 121.78(18) . .
C1 O1 Zn1 134.43(18) . 3_666
C1 O2 Zn1 120.41(17) . .
C17 O3 Zn1 122.33(18) . 4
C17 O4 Zn1 132.55(18) . 2_645
C26 S1 C23 92.88(15) . .
N1 Zn1 O3 103.34(8) . 4_556
N1 Zn1 O4 97.46(8) . 2_665
O3 Zn1 O4 158.94(8) 4_556 2_665
N1 Zn1 O2 105.66(8) . .
O3 Zn1 O2 88.87(8) 4_556 .
O4 Zn1 O2 88.67(8) 2_665 .
N1 Zn1 O1 95.51(8) . 3_666
O3 Zn1 O1 86.31(8) 4_556 3_666
O4 Zn1 O1 88.48(8) 2_665 3_666
O2 Zn1 O1 158.83(7) . 3_666
N1 Zn1 Zn1 167.34(6) . 3_666
O3 Zn1 Zn1 83.30(5) 4_556 3_666
O4 Zn1 Zn1 75.65(5) 2_665 3_666
O2 Zn1 Zn1 85.03(5) . 3_666
O1 Zn1 Zn1 73.95(5) 3_666 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.257(3) .
C1 O1 1.259(3) .
C1 C2 1.508(4) .
C2 C3 1.388(4) .
C2 C7 1.391(4) .
C3 C4 1.392(4) .
C3 H3 0.9300 .
C4 C5 1.390(4) .
C4 H4 0.9300 .
C5 C6 1.398(4) .
C5 C8 1.548(4) .
C6 C7 1.379(4) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C11 1.542(4) .
C8 C10 1.543(4) .
C8 C9 1.548(4) .
C9 F3 1.340(3) .
C9 F2 1.341(3) .
C9 F1 1.341(3) .
C10 F4 1.337(3) .
C10 F5 1.338(3) .
C10 F6 1.352(3) .
C11 C12 1.393(4) .
C11 C16 1.398(4) .
C12 C13 1.390(4) .
C12 H12 0.9300 .
C13 C14 1.393(4) .
C13 H13 0.9300 .
C14 C15 1.388(4) .
C14 C17 1.497(4) .
C15 C16 1.382(4) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 O4 1.258(3) .
C17 O3 1.260(3) .
C18 N1 1.341(3) .
C18 C19 1.379(4) .
C18 H18 0.9300 .
C19 C20 1.399(4) .
C19 H19 0.9300 .
C20 C21 1.390(4) .
C20 C23 1.465(4) .
C21 C22 1.378(4) .
C21 H21 0.9300 .
C22 N1 1.337(3) .
C22 H22 0.9300 .
C23 C24 1.355(4) .
C23 S1 1.725(3) .
C24 C25 1.402(5) .
C24 H24 0.9300 .
C25 C26 1.355(5) .
C25 H25 0.9300 .
C26 C26 1.453(6) 3_546
C26 S1 1.712(3) .
N1 Zn1 2.026(2) .
O1 Zn1 2.0517(18) 3_666
O2 Zn1 2.0405(18) .
O3 Zn1 2.0379(18) 4
O4 Zn1 2.0389(19) 2_645
Zn1 O3 2.0379(18) 4_556
Zn1 O4 2.0389(19) 2_665
Zn1 O1 2.0518(18) 3_666
Zn1 Zn1 2.9822(6) 3_666
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
O2 C1 C2 C3 179.1(2) . .
O1 C1 C2 C3 -4.3(4) . .
O2 C1 C2 C7 -5.5(4) . .
O1 C1 C2 C7 171.0(3) . .
C7 C2 C3 C4 -1.9(4) . .
C1 C2 C3 C4 173.5(3) . .
C2 C3 C4 C5 -0.2(4) . .
C3 C4 C5 C6 2.5(4) . .
C3 C4 C5 C8 -174.4(3) . .
C4 C5 C6 C7 -2.8(4) . .
C8 C5 C6 C7 174.3(3) . .
C5 C6 C7 C2 0.7(4) . .
C3 C2 C7 C6 1.6(4) . .
C1 C2 C7 C6 -173.7(3) . .
C4 C5 C8 C11 -139.6(3) . .
C6 C5 C8 C11 43.4(3) . .
C4 C5 C8 C10 -20.3(4) . .
C6 C5 C8 C10 162.8(2) . .
C4 C5 C8 C9 97.7(3) . .
C6 C5 C8 C9 -79.3(3) . .
C11 C8 C9 F3 70.0(3) . .
C10 C8 C9 F3 -47.7(3) . .
C5 C8 C9 F3 -168.8(2) . .
C11 C8 C9 F2 -169.7(2) . .
C10 C8 C9 F2 72.5(3) . .
C5 C8 C9 F2 -48.6(3) . .
C11 C8 C9 F1 -50.8(3) . .
C10 C8 C9 F1 -168.6(2) . .
C5 C8 C9 F1 70.3(3) . .
C11 C8 C10 F4 -170.3(2) . .
C5 C8 C10 F4 68.1(3) . .
C9 C8 C10 F4 -48.5(3) . .
C11 C8 C10 F5 -48.9(3) . .
C5 C8 C10 F5 -170.6(2) . .
C9 C8 C10 F5 72.8(3) . .
C11 C8 C10 F6 69.6(3) . .
C5 C8 C10 F6 -52.1(3) . .
C9 C8 C10 F6 -168.6(2) . .
C10 C8 C11 C12 100.1(3) . .
C5 C8 C11 C12 -136.8(3) . .
C9 C8 C11 C12 -18.5(4) . .
C10 C8 C11 C16 -79.5(3) . .
C5 C8 C11 C16 43.6(3) . .
C9 C8 C11 C16 162.0(2) . .
C16 C11 C12 C13 -1.8(4) . .
C8 C11 C12 C13 178.7(3) . .
C11 C12 C13 C14 0.6(4) . .
C12 C13 C14 C15 1.1(4) . .
C12 C13 C14 C17 -177.7(3) . .
C13 C14 C15 C16 -1.6(4) . .
C17 C14 C15 C16 177.2(2) . .
C14 C15 C16 C11 0.4(4) . .
C12 C11 C16 C15 1.3(4) . .
C8 C11 C16 C15 -179.1(2) . .
C15 C14 C17 O4 178.9(2) . .
C13 C14 C17 O4 -2.3(4) . .
C15 C14 C17 O3 -0.9(4) . .
C13 C14 C17 O3 177.9(2) . .
N1 C18 C19 C20 0.5(5) . .
C18 C19 C20 C21 -1.0(5) . .
C18 C19 C20 C23 -179.8(3) . .
C19 C20 C21 C22 0.8(4) . .
C23 C20 C21 C22 179.6(3) . .
C20 C21 C22 N1 -0.1(4) . .
C21 C20 C23 C24 -175.8(4) . .
C19 C20 C23 C24 3.0(6) . .
C21 C20 C23 S1 6.2(4) . .
C19 C20 C23 S1 -175.0(3) . .
C20 C23 C24 C25 -178.7(4) . .
S1 C23 C24 C25 -0.5(5) . .
C23 C24 C25 C26 -0.6(6) . .
C24 C25 C26 C26 -179.4(5) . 3_546
C24 C25 C26 S1 1.4(5) . .
C21 C22 N1 C18 -0.5(4) . .
C21 C22 N1 Zn1 178.6(2) . .
C19 C18 N1 C22 0.3(4) . .
C19 C18 N1 Zn1 -178.8(2) . .
O2 C1 O1 Zn1 6.7(5) . 3_666
C2 C1 O1 Zn1 -169.61(18) . 3_666
O1 C1 O2 Zn1 -1.9(4) . .
C2 C1 O2 Zn1 174.29(18) . .
O4 C17 O3 Zn1 8.7(4) . 4
C14 C17 O3 Zn1 -171.49(16) . 4
O3 C17 O4 Zn1 -8.5(4) . 2_645
C14 C17 O4 Zn1 171.68(17) . 2_645
C25 C26 S1 C23 -1.4(3) . .
C26 C26 S1 C23 179.4(4) 3_546 .
C24 C23 S1 C26 1.1(3) . .
C20 C23 S1 C26 179.5(3) . .
C22 N1 Zn1 O3 -6.1(2) . 4_556
C18 N1 Zn1 O3 172.9(2) . 4_556
C22 N1 Zn1 O4 177.2(2) . 2_665
C18 N1 Zn1 O4 -3.8(2) . 2_665
C22 N1 Zn1 O2 86.5(2) . .
C18 N1 Zn1 O2 -94.5(2) . .
C22 N1 Zn1 O1 -93.6(2) . 3_666
C18 N1 Zn1 O1 85.4(2) . 3_666
C22 N1 Zn1 Zn1 -126.7(3) . 3_666
C18 N1 Zn1 Zn1 52.3(4) . 3_666
C1 O2 Zn1 N1 171.77(19) . .
C1 O2 Zn1 O3 -84.7(2) . 4_556
C1 O2 Zn1 O4 74.4(2) . 2_665
C1 O2 Zn1 O1 -7.9(3) . 3_666
C1 O2 Zn1 Zn1 -1.31(19) . 3_666
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 0.500 0.403 0.750 127 10 ' '
2 0.500 0.597 0.250 127 10 ' '
3 0.000 0.497 0.250 91 5 ' '
4 0.000 0.502 0.750 91 5 ' '
