#------------------------------------------------------------------------------
#$Date: 2019-11-23 00:33:24 +0200 (Sat, 23 Nov 2019) $
#$Revision: 231663 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/62/4346215.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_4346215
loop_
_publ_author_name
'Toma, Oksana'
'Mercier, Nicolas'
'Allain, Magali'
'Kassiba, Abdel Adi'
'Bellat, Jean-Pierre'
'Weber, Guy'
'Bezverkhyy, Igor'
_publ_section_title
;
 Photo- and thermochromic and adsorption properties of porous coordination
 polymers based on bipyridinium carboxylate ligands.
;
_journal_issue                   18
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8923
_journal_page_last               8930
_journal_paper_doi               10.1021/acs.inorgchem.5b00975
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C76 H64 N6 O28 Zn5'
_chemical_formula_sum            'C76 H64 N6 O28 Zn5'
_chemical_formula_weight         1836.18
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2015-04-14T14:47:52-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                103.754(8)
_cell_angle_beta                 104.537(5)
_cell_angle_gamma                95.907(6)
_cell_formula_units_Z            1
_cell_length_a                   9.8071(5)
_cell_length_b                   11.6150(10)
_cell_length_c                   16.544(2)
_cell_measurement_reflns_used    7248
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.03
_cell_measurement_theta_min      2.77
_cell_volume                     1745.2(3)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    'DIAMOND 3.2i (Crystal Impact GbR 2005)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.054
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            33319
_diffrn_reflns_theta_full        28.03
_diffrn_reflns_theta_max         28.03
_diffrn_reflns_theta_min         2.78
_exptl_absorpt_coefficient_mu    1.79
_exptl_absorpt_correction_T_max  0.914
_exptl_absorpt_correction_T_min  0.809
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 '(SADABS (Sheldrick, Bruker, 2008))'
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_platon_squeeze_details
;
The unit cell contains dimethylformamide, ethanol and water disordered molecules
 which were not modelled but the corresponding scattering contribution were 
taken into account using SQUEEZE/PLATON procedure. The unit cell contains 1 void
 of 237 A3 containing about 89 electrons which can be attributed, in agreement
 with thermal analysis to approximately 2 dimethylformamide, 1 ethanol and 1
 water molecules . The solvent composition was included in the calculation of the
 empirical formula, formula weight, density, linear absorption coefficient and
 F(000).
;
_refine_diff_density_max         0.613
_refine_diff_density_min         -0.556
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         8393
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0936
_refine_ls_R_factor_gt           0.0514
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0680P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1237
_refine_ls_wR_factor_ref         0.1358
_reflns_number_gt                5355
_reflns_number_total             8393
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00975_si_002.cif
_cod_data_source_block           compound_(1)
_cod_database_code               4346215
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_calc_flag
_atom_site_refinement_flags
C1 C 0.2596(4) 1.2238(4) 1.4458(3) 0.0427(11) Uani 1 d .
H1 H 0.3081 1.272 1.5013 0.051 Uiso 1 calc R
C2 C 0.3155(5) 1.1278(4) 1.4111(3) 0.0471(12) Uani 1 d .
H2 H 0.3983 1.1096 1.4437 0.057 Uiso 1 calc R
C3 C 0.2485(4) 1.0567(3) 1.3265(3) 0.0312(9) Uani 1 d .
C4 C 0.1257(4) 1.0884(3) 1.2816(2) 0.0291(8) Uani 1 d .
H4 H 0.0786 1.0447 1.2246 0.035 Uiso 1 calc R
C5 C 0.0732(4) 1.1853(3) 1.3220(2) 0.0280(8) Uani 1 d .
H5 H -0.0102 1.2049 1.2912 0.034 Uiso 1 calc R
C6 C 0.3055(4) 0.9497(3) 1.2866(3) 0.0325(9) Uani 1 d .
C7 C 0.3459(5) 0.8691(4) 1.3344(3) 0.0428(11) Uani 1 d .
H7 H 0.3401 0.8836 1.3911 0.051 Uiso 1 calc R
C8 C 0.3944(5) 0.7679(4) 1.2980(3) 0.0422(11) Uani 1 d .
H8 H 0.4188 0.7128 1.3294 0.051 Uiso 1 calc R
C9 C 0.3191(4) 0.9273(3) 1.2033(3) 0.0325(9) Uani 1 d .
H9 H 0.2935 0.9805 1.1705 0.039 Uiso 1 calc R
C10 C 0.3700(4) 0.8271(3) 1.1692(3) 0.0330(9) Uani 1 d .
H10 H 0.3794 0.8128 1.1133 0.04 Uiso 1 calc R
C11 C 0.4646(4) 0.6419(3) 1.1819(3) 0.0328(9) Uani 1 d .
C12 C 0.5967(5) 0.6296(4) 1.2276(3) 0.0497(12) Uani 1 d .
H12 H 0.6476 0.687 1.279 0.06 Uiso 1 calc R
C13 C 0.6531(4) 0.5299(4) 1.1956(3) 0.0444(11) Uani 1 d .
H13 H 0.7428 0.5203 1.2261 0.053 Uiso 1 calc R
C14 C 0.5793(4) 0.4451(3) 1.1199(3) 0.0320(9) Uani 1 d .
C15 C 0.4438(4) 0.4584(4) 1.0753(3) 0.0371(10) Uani 1 d .
H15 H 0.3915 0.3999 1.0249 0.045 Uiso 1 calc R
C16 C 0.3869(4) 0.5584(4) 1.1059(3) 0.0411(10) Uani 1 d .
H16 H 0.2976 0.5689 1.0756 0.049 Uiso 1 calc R
C17 C 0.6486(5) 0.3414(4) 1.0836(3) 0.0341(9) Uani 1 d .
C18 C 1.1874(4) 0.2245(3) 1.1515(2) 0.0247(8) Uani 1 d .
C19 C 1.3332(4) 0.2732(3) 1.2146(2) 0.0250(8) Uani 1 d .
C20 C 1.3536(4) 0.3689(3) 1.2878(3) 0.0333(9) Uani 1 d .
H20 H 1.2763 0.4045 1.2973 0.04 Uiso 1 calc R
C21 C 1.4874(4) 0.4117(3) 1.3468(3) 0.0331(9) Uani 1 d .
H21 H 1.4999 0.4772 1.3946 0.04 Uiso 1 calc R
C22 C 1.6024(4) 0.3576(3) 1.3349(2) 0.0269(8) Uani 1 d .
C23 C 1.5853(4) 0.2619(3) 1.2620(2) 0.0307(9) Uani 1 d .
H23 H 1.663 0.2263 1.2532 0.037 Uiso 1 calc R
C24 C 1.4512(4) 0.2202(3) 1.2025(2) 0.0308(9) Uani 1 d .
H24 H 1.4394 0.1561 1.1539 0.037 Uiso 1 calc R
C25 C 1.7473(4) 0.4059(3) 1.3987(2) 0.0285(8) Uani 1 d .
C26 C 2.0235(4) 0.6002(3) 1.3798(2) 0.0296(9) Uani 1 d .
C27 C 2.0190(4) 0.6445(3) 1.3001(2) 0.0291(8) Uani 1 d .
C28 C 1.9716(4) 0.7520(3) 1.2935(3) 0.0352(9) Uani 1 d .
H28 H 1.9431 0.7974 1.3387 0.042 Uiso 1 calc R
C29 C 1.9665(4) 0.7917(3) 1.2212(2) 0.0307(9) Uani 1 d .
H29 H 1.9339 0.8632 1.2175 0.037 Uiso 1 calc R
C30 C 2.0104(4) 0.7244(3) 1.1530(2) 0.0293(8) Uani 1 d .
C31 C 2.0490(4) 0.6128(3) 1.1573(2) 0.0334(9) Uani 1 d .
H31 H 2.0726 0.5649 1.1109 0.04 Uiso 1 calc R
C32 C 2.0521(4) 0.5735(3) 1.2297(3) 0.0319(9) Uani 1 d .
H32 H 2.0766 0.4988 1.2315 0.038 Uiso 1 calc R
C33 C 2.0249(4) 0.7751(4) 1.0787(3) 0.0326(9) Uani 1 d .
C34 C 0.7700(6) 0.0166(5) 1.0876(4) 0.0756(17) Uani 1 d .
H34 H 0.7261 -0.0627 1.0592 0.091 Uiso 1 calc R
N1 N 0.1372(3) 1.2519(3) 1.4033(2) 0.0281(7) Uani 1 d .
N2 N 0.4066(3) 0.7488(3) 1.2164(2) 0.0341(8) Uani 1 d .
O1 O 0.7791(3) 0.3500(3) 1.1256(2) 0.0444(8) Uani 1 d .
O2 O 0.5812(3) 0.2607(3) 1.0194(2) 0.0537(8) Uani 1 d .
O3 O 1.1688(3) 0.1240(2) 1.09849(16) 0.0315(6) Uani 1 d .
O4 O 1.0919(3) 0.2887(2) 1.15972(17) 0.0343(6) Uani 1 d .
O5 O 1.8456(3) 0.3461(3) 1.3929(2) 0.0493(8) Uani 1 d .
O6 O 1.7621(3) 0.5044(3) 1.4541(2) 0.0504(8) Uani 1 d .
O7 O 2.0691(4) 0.5045(3) 1.3810(2) 0.0532(9) Uani 1 d .
O8 O 1.9815(4) 0.6618(3) 1.4379(2) 0.0530(8) Uani 1 d .
O9 O 2.0720(3) 0.7090(3) 1.02229(18) 0.0404(7) Uani 1 d .
O10 O 1.9968(3) 0.8785(2) 1.08028(17) 0.0361(7) Uani 1 d .
O11 O 0.8452(3) 0.0721(2) 1.04814(18) 0.0350(7) Uani 1 d .
O12 O 0.7528(6) 0.0610(5) 1.1595(4) 0.1233(19) Uani 1 d .
Zn1 Zn 0.89638(4) 0.24602(4) 1.08002(3) 0.02575(13) Uani 1 d .
Zn2 Zn 1 0 1 0.02412(15) Uani 1 d S
Zn3 Zn 2.05560(4) 0.39405(3) 1.45954(3) 0.02111(12) Uani 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 0 '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 0.006 '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
N1 C1 C2 122.9(4) . .
N1 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C1 C2 C3 119.9(4) . .
C1 C2 H2 120 . .
C3 C2 H2 120 . .
C4 C3 C2 117.2(3) . .
C4 C3 C6 121.3(3) . .
C2 C3 C6 121.5(4) . .
C3 C4 C5 119.5(4) . .
C3 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
N1 C5 C4 122.8(4) . .
N1 C5 H5 118.6 . .
C4 C5 H5 118.6 . .
C9 C6 C7 118.5(4) . .
C9 C6 C3 122.4(4) . .
C7 C6 C3 119.1(4) . .
C8 C7 C6 120.1(4) . .
C8 C7 H7 119.9 . .
C6 C7 H7 119.9 . .
N2 C8 C7 119.8(4) . .
N2 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C10 C9 C6 120.2(4) . .
C10 C9 H9 119.9 . .
C6 C9 H9 119.9 . .
N2 C10 C9 120.3(4) . .
N2 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
C12 C11 C16 122.0(4) . .
C12 C11 N2 117.8(4) . .
C16 C11 N2 120.2(4) . .
C11 C12 C13 118.5(4) . .
C11 C12 H12 120.8 . .
C13 C12 H12 120.8 . .
C14 C13 C12 121.2(4) . .
C14 C13 H13 119.4 . .
C12 C13 H13 119.4 . .
C13 C14 C15 119.3(4) . .
C13 C14 C17 119.7(4) . .
C15 C14 C17 120.9(4) . .
C16 C15 C14 120.1(4) . .
C16 C15 H15 119.9 . .
C14 C15 H15 119.9 . .
C11 C16 C15 118.9(4) . .
C11 C16 H16 120.6 . .
C15 C16 H16 120.6 . .
O2 C17 O1 125.8(4) . .
O2 C17 C14 120.7(4) . .
O1 C17 C14 113.5(3) . .
O3 C18 O4 125.8(3) . .
O3 C18 C19 118.1(3) . .
O4 C18 C19 116.0(3) . .
C20 C19 C24 118.4(3) . .
C20 C19 C18 121.0(3) . .
C24 C19 C18 120.5(3) . .
C21 C20 C19 120.9(4) . .
C21 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
C22 C21 C20 120.2(4) . .
C22 C21 H21 119.9 . .
C20 C21 H21 119.9 . .
C21 C22 C23 120.2(3) . .
C21 C22 C25 119.7(3) . .
C23 C22 C25 120.1(3) . .
C24 C23 C22 119.3(3) . .
C24 C23 H23 120.3 . .
C22 C23 H23 120.3 . .
C23 C24 C19 121.0(3) . .
C23 C24 H24 119.5 . .
C19 C24 H24 119.5 . .
O5 C25 O6 124.3(4) . .
O5 C25 C22 118.3(3) . .
O6 C25 C22 117.4(4) . .
O8 C26 O7 125.4(4) . .
O8 C26 C27 117.7(4) . .
O7 C26 C27 116.8(4) . .
C32 C27 C28 118.9(4) . .
C32 C27 C26 120.0(3) . .
C28 C27 C26 120.9(3) . .
C29 C28 C27 121.0(4) . .
C29 C28 H28 119.5 . .
C27 C28 H28 119.5 . .
C28 C29 C30 119.9(4) . .
C28 C29 H29 120 . .
C30 C29 H29 120 . .
C31 C30 C29 118.9(3) . .
C31 C30 C33 120.5(3) . .
C29 C30 C33 120.5(3) . .
C32 C31 C30 120.4(4) . .
C32 C31 H31 119.8 . .
C30 C31 H31 119.8 . .
C31 C32 C27 120.6(4) . .
C31 C32 H32 119.7 . .
C27 C32 H32 119.7 . .
O10 C33 O9 126.4(4) . .
O10 C33 C30 118.1(4) . .
O9 C33 C30 115.4(3) . .
O12 C34 O11 125.5(6) . .
O12 C34 H34 117.2 . .
O11 C34 H34 117.2 . .
C5 N1 C1 117.5(3) . .
C5 N1 Zn3 121.2(2) . 1_365
C1 N1 Zn3 121.2(3) . 1_365
C8 N2 C10 121.0(3) . .
C8 N2 C11 117.6(3) . .
C10 N2 C11 121.4(3) . .
C17 O1 Zn1 120.5(3) . .
C18 O3 Zn2 138.9(2) . .
C18 O4 Zn1 122.7(2) . .
C25 O5 Zn3 128.0(3) . .
C25 O6 Zn3 128.5(3) . 2_968
C26 O7 Zn3 130.2(3) . .
C26 O8 Zn3 124.5(3) . 2_968
C33 O9 Zn1 123.8(3) . 2_867
C33 O10 Zn2 136.5(3) . 1_665
C34 O11 Zn1 122.2(3) . .
C34 O11 Zn2 122.6(3) . .
Zn1 O11 Zn2 108.10(12) . .
O1 Zn1 O11 122.35(12) . .
O1 Zn1 O9 107.55(13) . 2_867
O11 Zn1 O9 107.45(12) . 2_867
O1 Zn1 O4 109.29(12) . .
O11 Zn1 O4 107.04(11) . .
O9 Zn1 O4 101.11(12) 2_867 .
O11 Zn2 O11 180.0000(10) . 2_757
O11 Zn2 O3 86.91(10) . 2_757
O11 Zn2 O3 93.09(10) 2_757 2_757
O11 Zn2 O3 93.09(10) . .
O11 Zn2 O3 86.91(10) 2_757 .
O3 Zn2 O3 180 2_757 .
O11 Zn2 O10 92.88(10) . 2_867
O11 Zn2 O10 87.12(10) 2_757 2_867
O3 Zn2 O10 91.54(10) 2_757 2_867
O3 Zn2 O10 88.46(10) . 2_867
O11 Zn2 O10 87.12(10) . 1_445
O11 Zn2 O10 92.88(10) 2_757 1_445
O3 Zn2 O10 88.46(10) 2_757 1_445
O3 Zn2 O10 91.54(10) . 1_445
O10 Zn2 O10 180.0000(10) 2_867 1_445
O5 Zn3 O6 158.90(13) . 2_968
O5 Zn3 N1 101.50(12) . 1_745
O6 Zn3 N1 99.58(12) 2_968 1_745
O5 Zn3 O7 86.46(14) . .
O6 Zn3 O7 88.55(14) 2_968 .
N1 Zn3 O7 101.34(12) 1_745 .
O5 Zn3 O8 91.22(14) . 2_968
O6 Zn3 O8 86.08(14) 2_968 2_968
N1 Zn3 O8 99.80(13) 1_745 2_968
O7 Zn3 O8 158.77(13) . 2_968
O5 Zn3 Zn3 79.69(9) . 2_968
O6 Zn3 Zn3 79.21(9) 2_968 2_968
N1 Zn3 Zn3 178.14(9) 1_745 2_968
O7 Zn3 Zn3 77.26(9) . 2_968
O8 Zn3 Zn3 81.56(9) 2_968 2_968
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.345(5) .
C1 C2 1.362(5) .
C1 H1 0.93 .
C2 C3 1.395(6) .
C2 H2 0.93 .
C3 C4 1.382(5) .
C3 C6 1.494(5) .
C4 C5 1.383(5) .
C4 H4 0.93 .
C5 N1 1.335(5) .
C5 H5 0.93 .
C6 C9 1.383(6) .
C6 C7 1.388(6) .
C7 C8 1.376(5) .
C7 H7 0.93 .
C8 N2 1.352(5) .
C8 H8 0.93 .
C9 C10 1.367(5) .
C9 H9 0.93 .
C10 N2 1.353(5) .
C10 H10 0.93 .
C11 C12 1.367(6) .
C11 C16 1.374(6) .
C11 N2 1.471(5) .
C12 C13 1.384(6) .
C12 H12 0.93 .
C13 C14 1.369(6) .
C13 H13 0.93 .
C14 C15 1.391(5) .
C14 C17 1.517(5) .
C15 C16 1.383(5) .
C15 H15 0.93 .
C16 H16 0.93 .
C17 O2 1.220(5) .
C17 O1 1.275(5) .
C18 O3 1.246(4) .
C18 O4 1.269(4) .
C18 C19 1.503(5) .
C19 C20 1.392(5) .
C19 C24 1.400(5) .
C20 C21 1.383(5) .
C20 H20 0.93 .
C21 C22 1.380(5) .
C21 H21 0.93 .
C22 C23 1.393(5) .
C22 C25 1.500(5) .
C23 C24 1.387(5) .
C23 H23 0.93 .
C24 H24 0.93 .
C25 O5 1.254(4) .
C25 O6 1.254(5) .
C26 O8 1.240(5) .
C26 O7 1.244(5) .
C26 C27 1.517(5) .
C27 C32 1.390(5) .
C27 C28 1.395(5) .
C28 C29 1.372(5) .
C28 H28 0.93 .
C29 C30 1.401(5) .
C29 H29 0.93 .
C30 C31 1.400(5) .
C30 C33 1.514(5) .
C31 C32 1.373(5) .
C31 H31 0.93 .
C32 H32 0.93 .
C33 O10 1.256(5) .
C33 O9 1.273(5) .
C34 O12 1.239(7) .
C34 O11 1.315(6) .
C34 H34 0.93 .
N1 Zn3 2.036(3) 1_365
O1 Zn1 1.908(3) .
O3 Zn2 2.123(2) .
O4 Zn1 1.971(2) .
O5 Zn3 2.025(3) .
O6 Zn3 2.028(3) 2_968
O7 Zn3 2.047(3) .
O8 Zn3 2.053(3) 2_968
O9 Zn1 1.971(3) 2_867
O10 Zn2 2.159(3) 1_665
O11 Zn1 1.940(3) .
O11 Zn2 2.048(2) .
Zn1 O9 1.971(3) 2_867
Zn2 O11 2.048(3) 2_757
Zn2 O3 2.123(2) 2_757
Zn2 O10 2.159(3) 2_867
Zn2 O10 2.159(3) 1_445
Zn3 O6 2.028(3) 2_968
Zn3 N1 2.036(3) 1_745
Zn3 O8 2.053(3) 2_968
Zn3 Zn3 2.9592(8) 2_968
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 0.000 0.000 0.500 237 89 ' '
