#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:50:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180278 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/64/7116492.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_7116492
loop_
_publ_author_name
'Hu, Jin-Song'
'Zhang, Lei'
'Qin, Ling'
'Zheng, He-Gen'
'Zhang, Xiang-Biao'
_publ_section_title
;
 A rare three-coordinated zinc cluster-organic framework with two types of
 secondary building units.
;
_journal_issue                   14
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2899
_journal_paper_doi               10.1039/c4cc09782c
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C168 H96 N9 O53 Zn17'
_chemical_formula_weight         4199.83
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           155
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-11-28 deposited with the CCDC.
2015-01-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   23.2738(11)
_cell_length_b                   23.2738(11)
_cell_length_c                   33.9318(14)
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      1.8
_cell_volume                     15917.4(13)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SMART (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0550
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            28785
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    1.951
_exptl_absorpt_correction_T_max  0.6735
_exptl_absorpt_correction_T_min  0.6111
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6303
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_platon_squeeze_details
;
;
_refine_diff_density_max         0.512
_refine_diff_density_min         -0.631
_refine_diff_density_rms         0.068
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.068(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         6967
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0492
_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)+(0.0472P)²+20.8418P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1066
_reflns_number_gt                5839
_reflns_number_total             6967
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc09782c2.cif
_cod_data_source_block           100610a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/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 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      R32
_cod_database_code               7116492
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'-x, -x+y, -z'
'x-y, -y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
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 0.5295(3) 0.2335(3) -0.05229(17) 0.0469(13) Uani 1 1 d .
C2 C 0.4900(3) 0.1868(3) -0.02245(16) 0.0438(13) Uani 1 1 d .
C3 C 0.5220(3) 0.1755(3) 0.00869(16) 0.0453(13) Uani 1 1 d .
H3 H 0.5680 0.1964 0.0092 0.054 Uiso 1 1 calc R
C4 C 0.4850(3) 0.1330(2) 0.03908(16) 0.0404(11) Uani 1 1 d .
H4 H 0.5064 0.1254 0.0599 0.048 Uiso 1 1 calc R
C5 C 0.4162(3) 0.1017(3) 0.03834(16) 0.0461(13) Uani 1 1 d .
C6 C 0.3843(3) 0.1129(3) 0.00721(16) 0.0438(12) Uani 1 1 d .
H6 H 0.3382 0.0920 0.0067 0.053 Uiso 1 1 calc R
C7 C 0.4212(3) 0.1555(2) -0.02318(15) 0.0428(12) Uani 1 1 d .
H7 H 0.3998 0.1630 -0.0440 0.051 Uiso 1 1 calc R
C8 C 0.4544(3) -0.1164(3) 0.13436(16) 0.0446(13) Uani 1 1 d .
C9 C 0.4442(3) -0.0668(3) 0.11857(16) 0.0435(12) Uani 1 1 d .
C10 C 0.4428(3) -0.0614(3) 0.07784(16) 0.0436(12) Uani 1 1 d .
H10 H 0.4547 -0.0860 0.0617 0.052 Uiso 1 1 calc R
C11 C 0.4235(3) -0.0191(3) 0.06119(16) 0.0437(13) Uani 1 1 d .
H11 H 0.4225 -0.0154 0.0339 0.052 Uiso 1 1 calc R
C12 C 0.4056(3) 0.0178(3) 0.08528(16) 0.0424(12) Uani 1 1 d .
C13 C 0.4071(3) 0.0123(3) 0.12601(15) 0.0410(12) Uani 1 1 d .
H13 H 0.3951 0.0370 0.1421 0.049 Uiso 1 1 calc R
C14 C 0.4263(3) -0.0300(3) 0.14266(16) 0.0429(13) Uani 1 1 d .
H14 H 0.4273 -0.0337 0.1699 0.051 Uiso 1 1 calc R
C15 C 0.1428(3) 0.0291(3) 0.13370(16) 0.0465(13) Uani 1 1 d .
C16 C 0.2072(3) 0.0367(3) 0.11769(16) 0.0470(13) Uani 1 1 d .
C17 C 0.2112(3) -0.0189(3) 0.10699(16) 0.0436(12) Uani 1 1 d .
H17 H 0.1750 -0.0611 0.1110 0.052 Uiso 1 1 calc R
C18 C 0.2691(2) -0.0113(3) 0.09030(16) 0.0420(12) Uani 1 1 d .
H18 H 0.2717 -0.0485 0.0831 0.050 Uiso 1 1 calc R
C19 C 0.3231(3) 0.0518(3) 0.08432(17) 0.0463(13) Uani 1 1 d .
C20 C 0.3191(3) 0.1074(3) 0.09503(17) 0.0487(14) Uani 1 1 d .
H20 H 0.3552 0.1496 0.0910 0.058 Uiso 1 1 calc R
C21 C 0.2612(2) 0.0999(3) 0.11171(15) 0.0399(12) Uani 1 1 d .
H21 H 0.2585 0.1370 0.1189 0.048 Uiso 1 1 calc R
C22 C 0.1173(3) 0.1277(3) 0.24958(16) 0.0447(12) Uani 1 1 d .
C23 C 0.1715(3) 0.1855(3) 0.27115(17) 0.0454(13) Uani 1 1 d .
C24 C 0.1899(3) 0.1732(3) 0.30775(16) 0.0466(13) Uani 1 1 d .
H24 H 0.1672 0.1308 0.3186 0.056 Uiso 1 1 calc R
C25 C 0.2424(3) 0.2242(3) 0.32820(17) 0.0449(13) Uani 1 1 d .
H25 H 0.2547 0.2160 0.3527 0.054 Uiso 1 1 calc R
C26 C 0.2764(3) 0.2875(3) 0.31205(18) 0.0487(14) Uani 1 1 d .
C27 C 0.2579(3) 0.2998(3) 0.27545(16) 0.0461(13) Uani 1 1 d .
H27 H 0.2806 0.3422 0.2646 0.055 Uiso 1 1 calc R
C28 C 0.2054(3) 0.2488(3) 0.25500(16) 0.0437(12) Uani 1 1 d .
H28 H 0.1931 0.2570 0.2305 0.052 Uiso 1 1 calc R
N1 N 0.3801(2) 0.0584(2) 0.07019(13) 0.0457(11) Uani 1 1 d .
N2 N 0.3313(3) 0.3333 0.3333 0.0489(17) Uani 1 2 d S
O1 O 0.4081(2) -0.2586(2) 0.1667 0.0451(12) Uani 1 2 d S
O2 O 0.59234(19) 0.26018(19) -0.04700(12) 0.0504(9) Uani 1 1 d .
O3 O 0.50019(18) 0.24367(18) -0.08035(10) 0.0458(8) Uani 1 1 d .
O4 O 0.47196(18) -0.14945(17) 0.11161(11) 0.0457(8) Uani 1 1 d .
O5 O 0.45072(18) -0.12300(17) 0.16953(10) 0.0462(9) Uani 1 1 d .
O6 O 0.13951(18) 0.07865(18) 0.14310(11) 0.0495(9) Uani 1 1 d .
O7 O 0.09745(18) -0.0324(2) 0.14237(11) 0.0489(9) Uani 1 1 d .
O8 O 0.11230(19) 0.14083(19) 0.21396(12) 0.0543(10) Uani 1 1 d .
O9 O 0.0800(2) 0.0784(2) 0.26443(11) 0.0555(10) Uani 1 1 d .
O10 O 0.0000 0.0000 0.18962(17) 0.0379(13) Uani 1 3 d S
Zn1 Zn 0.6667 0.3333 -0.07418(3) 0.0422(2) Uani 1 3 d S
Zn2 Zn 0.3333 -0.3333 0.1667 0.0461(4) Uani 1 6 d S
Zn3 Zn 0.47332(3) -0.22802(3) 0.126620(18) 0.04422(16) Uani 1 1 d .
Zn4 Zn 0.06954(3) 0.08485(3) 0.168420(18) 0.04500(16) Uani 1 1 d .
Zn5 Zn 0.0000 0.0000 0.24514(3) 0.0453(3) Uani 1 3 d S
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
O3 C1 O2 127.4(5) . .
O3 C1 C2 118.3(5) . .
O2 C1 C2 114.3(5) . .
C7 C2 C3 120.0(5) . .
C7 C2 C1 121.2(5) . .
C3 C2 C1 118.7(5) . .
C4 C3 C2 120.0(5) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 120.0(5) . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C4 C5 C6 120.0(5) . .
C4 C5 N1 118.3(5) . .
C6 C5 N1 121.7(5) . .
C7 C6 C5 120.0(5) . .
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C6 C7 C2 120.0(5) . .
C6 C7 H7 120.0 . .
C2 C7 H7 120.0 . .
O5 C8 O4 122.8(5) . .
O5 C8 C9 117.1(5) . .
O4 C8 C9 119.9(5) . .
C10 C9 C14 120.0(5) . .
C10 C9 C8 118.6(5) . .
C14 C9 C8 120.7(5) . .
C9 C10 C11 120.0(5) . .
C9 C10 H10 120.0 . .
C11 C10 H10 120.0 . .
C12 C11 C10 120.0(5) . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
C13 C12 C11 120.0(5) . .
C13 C12 N1 116.8(5) . .
C11 C12 N1 123.0(5) . .
C12 C13 C14 120.0(5) . .
C12 C13 H13 120.0 . .
C14 C13 H13 120.0 . .
C13 C14 C9 120.0(5) . .
C13 C14 H14 120.0 . .
C9 C14 H14 120.0 . .
O6 C15 O7 124.5(5) . .
O6 C15 C16 120.1(5) . .
O7 C15 C16 114.5(5) . .
C17 C16 C21 120.0(5) . .
C17 C16 C15 120.3(5) . .
C21 C16 C15 119.6(5) . .
C18 C17 C16 120.0(5) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C19 120.0(5) . .
C17 C18 H18 120.0 . .
C19 C18 H18 120.0 . .
N1 C19 C18 119.3(5) . .
N1 C19 C20 120.6(5) . .
C18 C19 C20 120.0(5) . .
C21 C20 C19 120.0(5) . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C20 C21 C16 120.0(5) . .
C20 C21 H21 120.0 . .
C16 C21 H21 120.0 . .
O9 C22 O8 122.9(5) . .
O9 C22 C23 123.9(5) . .
O8 C22 C23 112.8(5) . .
C28 C23 C24 120.0(5) . .
C28 C23 C22 122.5(5) . .
C24 C23 C22 117.4(5) . .
C25 C24 C23 120.0(5) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C24 C25 C26 120.0(5) . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
N2 C26 C27 124.5(5) . .
N2 C26 C25 115.2(5) . .
C27 C26 C25 120.0(5) . .
C26 C27 C28 120.0(5) . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C23 C28 C27 120.0(5) . .
C23 C28 H28 120.0 . .
C27 C28 H28 120.0 . .
C19 N1 C5 123.2(5) . .
C19 N1 C12 120.5(4) . .
C5 N1 C12 116.2(4) . .
C26 N2 C26 115.2(7) 18 .
Zn2 O1 Zn3 126.12(12) . .
Zn2 O1 Zn3 126.12(12) . 10_545
Zn3 O1 Zn3 107.8(2) . 10_545
C1 O2 Zn1 130.9(4) . .
C1 O3 Zn3 135.9(4) . 5_665
C8 O4 Zn3 124.8(4) . .
C8 O5 Zn3 135.5(4) . 10_545
C15 O6 Zn4 129.8(4) . .
C15 O7 Zn4 133.1(4) . 3
C22 O8 Zn4 132.5(4) . .
C22 O9 Zn5 132.4(4) . .
Zn5 O10 Zn4 111.54(15) . 2
Zn5 O10 Zn4 111.53(15) . .
Zn4 O10 Zn4 107.33(17) 2 .
Zn5 O10 Zn4 111.53(15) . 3
Zn4 O10 Zn4 107.33(17) 2 3
Zn4 O10 Zn4 107.33(17) . 3
O2 Zn1 O2 99.43(16) . 2_655
O2 Zn1 O2 99.43(16) . 3_665
O2 Zn1 O2 99.43(16) 2_655 3_665
O2 Zn1 Zn2 118.25(12) . 13_554
O2 Zn1 Zn2 118.25(12) 2_655 13_554
O2 Zn1 Zn2 118.26(12) 3_665 13_554
O1 Zn2 O1 120.002(1) 2_545 .
O1 Zn2 O1 120.0 2_545 3_655
O1 Zn2 O1 119.998(1) . 3_655
O1 Zn2 Zn1 90.0 2_545 4_545
O1 Zn2 Zn1 90.0 . 4_545
O1 Zn2 Zn1 90.0 3_655 4_545
O1 Zn2 Zn1 90.0 2_545 7_445
O1 Zn2 Zn1 90.0 . 7_445
O1 Zn2 Zn1 90.0 3_655 7_445
Zn1 Zn2 Zn1 180.0 4_545 7_445
O1 Zn3 O4 99.03(13) . .
O1 Zn3 O3 142.43(17) . 5_655
O4 Zn3 O3 105.89(16) . 5_655
O1 Zn3 O5 92.70(12) . 10_545
O4 Zn3 O5 116.31(16) . 10_545
O3 Zn3 O5 100.66(16) 5_655 10_545
O1 Zn3 Zn3 36.12(12) . 10_545
O4 Zn3 Zn3 81.47(11) . 10_545
O3 Zn3 Zn3 171.96(12) 5_655 10_545
O5 Zn3 Zn3 72.75(11) 10_545 10_545
O7 Zn4 O6 118.55(16) 2 .
O7 Zn4 O8 102.97(17) 2 .
O6 Zn4 O8 103.78(17) . .
O7 Zn4 O10 110.84(13) 2 .
O6 Zn4 O10 113.26(13) . .
O8 Zn4 O10 105.8(2) . .
O7 Zn4 Zn4 74.95(12) 2 2
O6 Zn4 Zn4 130.01(11) . 2
O8 Zn4 Zn4 120.47(12) . 2
O10 Zn4 Zn4 36.33(8) . 2
O7 Zn4 Zn4 126.91(13) 2 3
O6 Zn4 Zn4 77.57(11) . 3
O8 Zn4 Zn4 122.83(12) . 3
O10 Zn4 Zn4 36.34(8) . 3
Zn4 Zn4 Zn4 60.0 2 3
O10 Zn5 O9 109.55(11) . 3
O10 Zn5 O9 109.55(11) . .
O9 Zn5 O9 109.39(11) 3 .
O10 Zn5 O9 109.55(11) . 2
O9 Zn5 O9 109.39(11) 3 2
O9 Zn5 O9 109.39(11) . 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O3 1.260(7) .
C1 O2 1.284(7) .
C1 C2 1.433(7) .
C2 C7 1.390(8) .
C2 C3 1.390(8) .
C3 C4 1.390(7) .
C3 H3 0.9300 .
C4 C5 1.390(8) .
C4 H4 0.9300 .
C5 C6 1.390(8) .
C5 N1 1.430(6) .
C6 C7 1.390(7) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O5 1.201(6) .
C8 O4 1.292(6) .
C8 C9 1.396(8) .
C9 C10 1.390(8) .
C9 C14 1.390(8) .
C10 C11 1.390(8) .
C10 H10 0.9300 .
C11 C12 1.390(8) .
C11 H11 0.9300 .
C12 C13 1.390(7) .
C12 N1 1.438(7) .
C13 C14 1.390(7) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 O6 1.236(7) .
C15 O7 1.318(7) .
C15 C16 1.518(8) .
C16 C17 1.390(8) .
C16 C21 1.390(7) .
C17 C18 1.390(8) .
C17 H17 0.9300 .
C18 C19 1.390(8) .
C18 H18 0.9300 .
C19 N1 1.346(7) .
C19 C20 1.390(8) .
C20 C21 1.390(7) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 O9 1.153(6) .
C22 O8 1.266(7) .
C22 C23 1.496(7) .
C23 C28 1.390(8) .
C23 C24 1.390(8) .
C24 C25 1.390(8) .
C24 H24 0.9300 .
C25 C26 1.390(8) .
C25 H25 0.9300 .
C26 N2 1.389(6) .
C26 C27 1.390(8) .
C27 C28 1.390(7) .
C27 H27 0.9300 .
C28 H28 0.9300 .
N2 C26 1.389(6) 18
O1 Zn2 1.739(5) .
O1 Zn3 1.892(3) .
O1 Zn3 1.892(3) 10_545
O2 Zn1 1.948(4) .
O3 Zn3 1.922(3) 5_665
O4 Zn3 1.914(4) .
O5 Zn3 1.973(4) 10_545
O6 Zn4 1.909(4) .
O7 Zn4 1.879(4) 3
O8 Zn4 1.944(4) .
O9 Zn5 1.956(4) .
O10 Zn5 1.884(6) .
O10 Zn4 1.960(2) 2
O10 Zn4 1.960(2) .
O10 Zn4 1.960(2) 3
Zn1 O2 1.949(4) 2_655
Zn1 O2 1.949(4) 3_665
Zn1 Zn2 3.1384(10) 13_554
Zn2 O1 1.739(5) 2_545
Zn2 O1 1.740(5) 3_655
Zn2 Zn1 3.1382(10) 4_545
Zn2 Zn1 3.1383(10) 7_445
Zn3 O3 1.922(3) 5_655
Zn3 O5 1.973(4) 10_545
Zn3 Zn3 3.0563(12) 10_545
Zn4 O7 1.879(4) 2
Zn4 Zn4 3.1574(11) 2
Zn4 Zn4 3.1575(10) 3
Zn5 O9 1.955(4) 3
Zn5 O9 1.956(4) 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 -0.007 -0.003 -0.002 4506 406 ' '
2 0.042 0.193 0.784 13 1 ' '
3 0.140 0.516 0.451 13 1 ' '
4 0.151 0.958 0.784 13 1 ' '
5 0.182 0.474 0.883 13 1 ' '
6 0.193 0.042 0.216 13 1 ' '
7 0.291 0.817 0.883 14 1 ' '
8 0.376 0.860 0.451 13 1 ' '
9 0.474 0.182 0.117 13 1 ' '
10 0.484 0.624 0.451 13 1 ' '
11 0.516 0.140 0.549 13 1 ' '
12 0.526 0.709 0.883 13 1 ' '
13 0.624 0.484 0.549 14 1 ' '
14 0.709 0.526 0.117 13 1 ' '
15 0.818 0.291 0.117 14 1 ' '
16 0.807 0.849 0.784 13 1 ' '
17 0.849 0.807 0.216 13 1 ' '
18 0.860 0.375 0.549 13 1 ' '
19 0.958 0.151 0.216 13 1 ' '
