# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Zn8-as
_database_code_depnum_ccdc_archive 'CCDC 2106380'
loop_
_audit_author_name
_audit_author_address
'Tang xiaoyan'
;Changshu Institute of Technology
China
;
_audit_update_record             
;
2021-08-29 deposited with the CCDC.	2021-12-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C90 H48 O27 Zn8'
_chemical_formula_sum            'C90 H48 O27 Zn8'
_chemical_formula_weight         2084.24

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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c :H'
_space_group_name_Hall           '-R 3 2"c'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'-x, -x+y, -z+1/2'
'x-y, -y, -z+1/2'
'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+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'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+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'x, x-y, z-1/2'
'-x+y, y, z-1/2'
'-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-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'-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+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'

_cell_length_a                   23.159(3)
_cell_length_b                   23.159(3)
_cell_length_c                   70.110(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     32565(11)
_cell_formula_units_Z            12
_cell_measurement_temperature    103(2)
_cell_measurement_reflns_used    28601
_cell_measurement_theta_min      1.9628
_cell_measurement_theta_max      31.0647

_exptl_crystal_description       block
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_F_000             12528
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_exptl_absorpt_coefficient_mu    1.799
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      103(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  
;
Saturn724+ (4x4 bin mode)
;
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            69953
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -82
_diffrn_reflns_limit_l_max       82
_diffrn_reflns_theta_min         1.759
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6382
_reflns_number_gt                5773
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1591P)²+100.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    refU
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6382
_refine_ls_number_parameters     394
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1521
_refine_ls_R_factor_gt           0.1464
_refine_ls_wR_factor_ref         0.3839
_refine_ls_wR_factor_gt          0.3804
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_restrained_S_all      1.105
_refine_ls_shift/su_max          0.099
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.43482(6) 0.60972(7) 0.25444(2) 0.0377(17) Uani 1 1 d . . . . .
Zn2 Zn 0.49215(7) 0.72981(7) 0.27943(2) 0.0387(17) Uani 1 1 d . . . . .
Zn3 Zn 0.333333 0.666667 0.24938(6) 0.079(2) Uani 1 3 d S T P . .
Zn4 Zn 0.333333 0.666667 0.28357(6) 0.081(2) Uani 1 3 d S T P . .
C1 C 0.5575(7) 0.7349(7) 0.24389(17) 0.048(3) Uani 1 1 d . . . . .
C2 C 0.6124(6) 0.7709(6) 0.22995(17) 0.042(3) Uani 1 1 d . . . . .
C3 C 0.6656(6) 0.8350(6) 0.23373(16) 0.041(3) Uani 1 1 d . . . . .
H3 H 0.665530 0.856460 0.244945 0.07(5) Uiso 1 1 calc R . . . .
C4 C 0.7167(7) 0.8663(7) 0.22142(19) 0.050(3) Uani 1 1 d . . . . .
H4 H 0.752537 0.908124 0.224312 0.04(4) Uiso 1 1 calc R . . . .
C5 C 0.7152(6) 0.8354(6) 0.20450(18) 0.042(3) Uani 1 1 d . . . . .
C6 C 0.7625(7) 0.8548(6) 0.18838(19) 0.047(3) Uani 1 1 d . . . . .
C7 C 0.8218(7) 0.9133(7) 0.1858(2) 0.057(4) Uani 1 1 d . . . . .
H7 H 0.837359 0.946915 0.194876 0.05(4) Uiso 1 1 calc R . . . .
C8 C 0.8593(7) 0.9213(7) 0.1686(2) 0.056(4) Uani 1 1 d . . . . .
H8 H 0.899167 0.960679 0.166425 0.11(7) Uiso 1 1 calc R . . . .
C9 C 0.8360(7) 0.8709(9) 0.1557(2) 0.059(4) Uani 1 1 d . . . . .
C10 C 0.8800(10) 0.8826(14) 0.1389(2) 0.081(6) Uani 1 1 d . . . . .
C11 C 0.7746(7) 0.8105(8) 0.15869(19) 0.050(3) Uani 1 1 d . . . . .
H11 H 0.758213 0.776439 0.149687 0.006(19) Uiso 1 1 calc R . . . .
C12 C 0.7400(6) 0.8040(7) 0.17540(17) 0.046(3) Uani 1 1 d . . . . .
C13 C 0.6723(7) 0.7461(6) 0.18117(17) 0.050(4) Uani 1 1 d . . . . .
H13A H 0.637652 0.739983 0.172247 0.03(3) Uiso 1 1 calc R . . . .
H13B H 0.673179 0.704840 0.182336 0.02(3) Uiso 1 1 calc R . . . .
C14 C 0.6634(6) 0.7708(6) 0.20039(15) 0.041(3) Uani 1 1 d . . . . .
C15 C 0.6103(6) 0.7376(6) 0.21336(17) 0.041(3) Uani 1 1 d . . . . .
H15 H 0.575173 0.694968 0.210853 2(4) Uiso 1 1 calc R . . . .
C16 C 0.5032(6) 0.6114(6) 0.28929(15) 0.036(3) Uani 1 1 d . . . . .
C17 C 0.5262(7) 0.5784(7) 0.30310(18) 0.048(3) Uani 1 1 d . . . . .
C18 C 0.5208(6) 0.5161(7) 0.2982(2) 0.051(3) Uani 1 1 d . . . . .
H18 H 0.501514 0.495932 0.286671 0.04(3) Uiso 1 1 calc R . . . .
C19 C 0.5439(8) 0.4851(7) 0.3105(2) 0.059(4) Uani 1 1 d . . . . .
H19 H 0.541683 0.445256 0.307098 0.01(2) Uiso 1 1 calc R . . . .
C20 C 0.5701(7) 0.5141(6) 0.32788(18) 0.045(3) Uani 1 1 d . . . . .
C21 C 0.5955(6) 0.4943(6) 0.34392(18) 0.045(3) Uani 1 1 d . . . . .
C22 C 0.5955(7) 0.4330(7) 0.3461(2) 0.056(4) Uani 1 1 d . . . . .
H22 H 0.579609 0.400556 0.336617 0.09(6) Uiso 1 1 calc R . . . .
C23 C 0.6209(8) 0.4244(8) 0.3634(2) 0.059(4) Uani 1 1 d . . . . .
H23 H 0.619813 0.384451 0.365802 0.07(5) Uiso 1 1 calc R . . . .
C24 C 0.6475(7) 0.4750(8) 0.37692(18) 0.050(4) Uani 1 1 d . . . . .
C25 C 0.6791(11) 0.4659(15) 0.3949(2) 0.083(7) Uani 1 1 d . . . . .
C26 C 0.6460(7) 0.5341(8) 0.37456(18) 0.053(4) Uani 1 1 d . . . . .
H26 H 0.663058 0.566897 0.383924 0.05(4) Uiso 1 1 calc R . . . .
C27 C 0.6186(5) 0.5430(6) 0.35792(16) 0.039(3) Uani 1 1 d . . . . .
C28 C 0.6097(6) 0.6010(6) 0.35253(16) 0.040(3) Uani 1 1 d . . . . .
H28A H 0.652041 0.642292 0.351895 0.12(8) Uiso 1 1 calc R . . . .
H28B H 0.580250 0.606174 0.361308 0.01(2) Uiso 1 1 calc R . . . .
C29 C 0.5777(6) 0.5783(6) 0.33255(16) 0.041(3) Uani 1 1 d . . . . .
C30 C 0.5562(6) 0.6095(6) 0.31981(16) 0.039(3) Uani 1 1 d . . . . .
H30 H 0.562221 0.651444 0.322616 0.04(3) Uiso 1 1 calc R . . . .
O1 O 0.5157(4) 0.6755(5) 0.24074(12) 0.047(3) Uani 1 1 d . . . . .
O2 O 0.5571(5) 0.7698(5) 0.25842(12) 0.053(3) Uani 1 1 d . . . . .
O3 O 0.8665(5) 0.8269(8) 0.13065(16) 0.078(4) Uani 1 1 d . . . . .
O4 O 0.9207(6) 0.9339(8) 0.13386(16) 0.089(5) Uani 1 1 d . . . . .
O5 O 0.4675(4) 0.5768(5) 0.27548(12) 0.051(3) Uani 1 1 d . . . . .
O6 O 0.5196(5) 0.6716(5) 0.29321(12) 0.050(3) Uani 1 1 d . . . . .
O7 O 0.6602(7) 0.4051(8) 0.39945(16) 0.087(5) Uani 1 1 d . . . . .
O8 O 0.7185(8) 0.5143(9) 0.40345(16) 0.081(4) Uani 1 1 d . . . . .
O9 O 0.4064(5) 0.6691(6) 0.26673(11) 0.054(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O8 1.931(11) 29_455 ?
Zn1 O1 1.975(9) . ?
Zn1 O9 1.994(9) . ?
Zn1 O5 1.976(8) . ?
Zn1 C25 2.60(2) 29_455 ?
Zn2 O3 1.948(11) 34_665 ?
Zn2 O2 1.975(9) . ?
Zn2 O9 1.981(10) . ?
Zn2 O6 2.003(9) . ?
Zn3 O9 2.061(9) . ?
Zn3 O9 2.061(9) 2_665 ?
Zn3 O9 2.061(9) 3_565 ?
Zn3 O7 2.095(11) 28_565 ?
Zn3 O7 2.095(11) 30 ?
Zn3 O7 2.095(11) 29_455 ?
Zn4 O9 2.040(8) 2_665 ?
Zn4 O9 2.040(8) 3_565 ?
Zn4 O9 2.040(8) . ?
Zn4 O4 2.078(11) 35_455 ?
Zn4 O4 2.078(11) 34_665 ?
Zn4 O4 2.078(11) 36_545 ?
C1 O1 1.242(17) . ?
C1 O2 1.304(16) . ?
C1 C2 1.486(17) . ?
C2 C15 1.384(17) . ?
C2 C3 1.401(18) . ?
C3 C4 1.347(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.376(19) . ?
C4 H4 0.9300 . ?
C5 C14 1.401(17) . ?
C5 C6 1.479(17) . ?
C6 C7 1.377(18) . ?
C6 C12 1.368(19) . ?
C7 C8 1.44(2) . ?
C7 H7 0.9300 . ?
C8 C9 1.36(2) . ?
C8 H8 0.9300 . ?
C9 C11 1.43(2) . ?
C9 C10 1.49(2) . ?
C10 O4 1.14(3) . ?
C10 O3 1.30(3) . ?
C11 C12 1.383(17) . ?
C11 H11 0.9300 . ?
C12 C13 1.523(18) . ?
C13 C14 1.518(15) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.409(16) . ?
C15 H15 0.9300 . ?
C16 O5 1.266(14) . ?
C16 O6 1.277(15) . ?
C16 C17 1.487(16) . ?
C17 C30 1.369(17) . ?
C17 C18 1.426(19) . ?
C18 C19 1.390(19) . ?
C18 H18 0.9300 . ?
C19 C20 1.374(19) . ?
C19 H19 0.9300 . ?
C20 C21 1.445(17) . ?
C20 C29 1.445(17) . ?
C21 C27 1.384(18) . ?
C21 C22 1.430(18) . ?
C22 C23 1.40(2) . ?
C22 H22 0.9300 . ?
C23 C24 1.39(2) . ?
C23 H23 0.9300 . ?
C24 C26 1.40(2) . ?
C24 C25 1.524(19) . ?
C25 O8 1.19(3) . ?
C25 O7 1.29(3) . ?
C26 C27 1.392(17) . ?
C26 H26 0.9300 . ?
C27 C28 1.506(17) . ?
C28 C29 1.548(15) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C30 1.389(16) . ?
C30 H30 0.9300 . ?

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
_geom_angle_publ_flag
O8 Zn1 O1 106.3(4) 29_455 . ?
O8 Zn1 O9 128.0(6) 29_455 . ?
O1 Zn1 O9 101.0(4) . . ?
O8 Zn1 O5 108.8(5) 29_455 . ?
O1 Zn1 O5 105.2(4) . . ?
O9 Zn1 O5 105.4(4) . . ?
O8 Zn1 C25 25.5(7) 29_455 29_455 ?
O1 Zn1 C25 105.7(4) . 29_455 ?
O9 Zn1 C25 104.5(6) . 29_455 ?
O5 Zn1 C25 131.3(6) . 29_455 ?
O3 Zn2 O2 108.5(5) 34_665 . ?
O3 Zn2 O9 125.0(5) 34_665 . ?
O2 Zn2 O9 104.8(4) . . ?
O3 Zn2 O6 105.9(4) 34_665 . ?
O2 Zn2 O6 104.6(4) . . ?
O9 Zn2 O6 106.4(4) . . ?
O9 Zn3 O9 88.7(3) . 2_665 ?
O9 Zn3 O9 88.7(3) . 3_565 ?
O9 Zn3 O9 88.7(3) 2_665 3_565 ?
O9 Zn3 O7 174.5(5) . 28_565 ?
O9 Zn3 O7 86.2(4) 2_665 28_565 ?
O9 Zn3 O7 93.1(5) 3_565 28_565 ?
O9 Zn3 O7 86.2(4) . 30 ?
O9 Zn3 O7 93.1(5) 2_665 30 ?
O9 Zn3 O7 174.5(5) 3_565 30 ?
O7 Zn3 O7 92.1(5) 28_565 30 ?
O9 Zn3 O7 93.1(5) . 29_455 ?
O9 Zn3 O7 174.5(5) 2_665 29_455 ?
O9 Zn3 O7 86.2(4) 3_565 29_455 ?
O7 Zn3 O7 92.1(5) 28_565 29_455 ?
O7 Zn3 O7 92.1(5) 30 29_455 ?
O9 Zn4 O9 89.9(3) 2_665 3_565 ?
O9 Zn4 O9 89.9(3) 2_665 . ?
O9 Zn4 O9 89.9(3) 3_565 . ?
O9 Zn4 O4 94.1(6) 2_665 35_455 ?
O9 Zn4 O4 85.8(4) 3_565 35_455 ?
O9 Zn4 O4 174.1(5) . 35_455 ?
O9 Zn4 O4 85.8(4) 2_665 34_665 ?
O9 Zn4 O4 174.1(5) 3_565 34_665 ?
O9 Zn4 O4 94.1(6) . 34_665 ?
O4 Zn4 O4 90.5(5) 35_455 34_665 ?
O9 Zn4 O4 174.1(5) 2_665 36_545 ?
O9 Zn4 O4 94.1(6) 3_565 36_545 ?
O9 Zn4 O4 85.8(4) . 36_545 ?
O4 Zn4 O4 90.5(5) 35_455 36_545 ?
O4 Zn4 O4 90.5(5) 34_665 36_545 ?
O1 C1 O2 125.7(12) . . ?
O1 C1 C2 118.6(11) . . ?
O2 C1 C2 115.7(12) . . ?
C15 C2 C3 121.1(11) . . ?
C15 C2 C1 117.2(12) . . ?
C3 C2 C1 121.6(11) . . ?
C4 C3 C2 121.3(12) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C5 C4 C3 119.1(13) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C14 121.2(11) . . ?
C4 C5 C6 132.7(12) . . ?
C14 C5 C6 106.0(10) . . ?
C7 C6 C12 121.3(12) . . ?
C7 C6 C5 128.6(13) . . ?
C12 C6 C5 110.0(11) . . ?
C6 C7 C8 118.7(14) . . ?
C6 C7 H7 120.7 . . ?
C8 C7 H7 120.7 . . ?
C9 C8 C7 119.4(12) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C8 C9 C11 121.2(13) . . ?
C8 C9 C10 115.4(15) . . ?
C11 C9 C10 123.4(17) . . ?
O4 C10 O3 123.8(16) . . ?
O4 C10 C9 125(2) . . ?
O3 C10 C9 111.6(19) . . ?
C12 C11 C9 118.0(14) . . ?
C12 C11 H11 121.0 . . ?
C9 C11 H11 121.0 . . ?
C11 C12 C6 121.3(13) . . ?
C11 C12 C13 127.3(12) . . ?
C6 C12 C13 111.2(11) . . ?
C14 C13 C12 100.2(10) . . ?
C14 C13 H13A 111.7 . . ?
C12 C13 H13A 111.7 . . ?
C14 C13 H13B 111.7 . . ?
C12 C13 H13B 111.7 . . ?
H13A C13 H13B 109.5 . . ?
C15 C14 C5 119.8(11) . . ?
C15 C14 C13 127.8(11) . . ?
C5 C14 C13 112.4(10) . . ?
C2 C15 C14 117.4(11) . . ?
C2 C15 H15 121.3 . . ?
C14 C15 H15 121.3 . . ?
O5 C16 O6 126.7(10) . . ?
O5 C16 C17 117.5(11) . . ?
O6 C16 C17 115.7(10) . . ?
C30 C17 C18 120.2(11) . . ?
C30 C17 C16 120.3(12) . . ?
C18 C17 C16 119.4(11) . . ?
C17 C18 C19 120.8(12) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C20 C19 C18 119.1(13) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
C19 C20 C21 133.1(12) . . ?
C19 C20 C29 120.0(12) . . ?
C21 C20 C29 106.8(10) . . ?
C27 C21 C22 122.7(12) . . ?
C27 C21 C20 110.3(11) . . ?
C22 C21 C20 126.9(13) . . ?
C23 C22 C21 116.1(14) . . ?
C23 C22 H22 121.9 . . ?
C21 C22 H22 121.9 . . ?
C24 C23 C22 120.9(12) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C23 C24 C26 121.7(12) . . ?
C23 C24 C25 119.4(15) . . ?
C26 C24 C25 118.8(16) . . ?
O8 C25 O7 125.9(15) . . ?
O8 C25 C24 119(2) . . ?
O7 C25 C24 115(2) . . ?
O8 C25 Zn1 44.2(8) . 35 ?
O7 C25 Zn1 82.8(10) . 35 ?
C24 C25 Zn1 159.0(16) . 35 ?
C27 C26 C24 118.8(14) . . ?
C27 C26 H26 120.6 . . ?
C24 C26 H26 120.6 . . ?
C26 C27 C21 119.6(12) . . ?
C26 C27 C28 128.2(12) . . ?
C21 C27 C28 112.2(10) . . ?
C27 C28 C29 100.4(10) . . ?
C27 C28 H28A 111.7 . . ?
C29 C28 H28A 111.7 . . ?
C27 C28 H28B 111.7 . . ?
C29 C28 H28B 111.7 . . ?
H28A C28 H28B 109.5 . . ?
C30 C29 C20 119.9(11) . . ?
C30 C29 C28 129.8(11) . . ?
C20 C29 C28 110.3(10) . . ?
C17 C30 C29 119.7(11) . . ?
C17 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C1 O1 Zn1 132.9(8) . . ?
C1 O2 Zn2 122.1(9) . . ?
C10 O3 Zn2 110.7(11) . 28_665 ?
C10 O4 Zn4 155.4(16) . 28_665 ?
C16 O5 Zn1 125.6(8) . . ?
C16 O6 Zn2 127.6(8) . . ?
C25 O7 Zn3 152.2(15) . 34_655 ?
C25 O8 Zn1 110.2(13) . 35 ?
Zn2 O9 Zn1 97.1(4) . . ?
Zn2 O9 Zn4 106.4(4) . . ?
Zn1 O9 Zn4 141.9(6) . . ?
Zn2 O9 Zn3 143.4(6) . . ?
Zn1 O9 Zn3 106.0(4) . . ?
Zn4 O9 Zn3 71.5(3) . . ?

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
_geom_torsion_publ_flag
O1 C1 C2 C15 5.5(17) . . . . ?
O2 C1 C2 C15 -173.3(11) . . . . ?
O1 C1 C2 C3 -172.1(12) . . . . ?
O2 C1 C2 C3 9.2(17) . . . . ?
C15 C2 C3 C4 -0.5(19) . . . . ?
C1 C2 C3 C4 177.0(12) . . . . ?
C2 C3 C4 C5 2.5(19) . . . . ?
C3 C4 C5 C14 -4(2) . . . . ?
C3 C4 C5 C6 -178.8(13) . . . . ?
C4 C5 C6 C7 -3(3) . . . . ?
C14 C5 C6 C7 -179.2(15) . . . . ?
C4 C5 C6 C12 175.4(14) . . . . ?
C14 C5 C6 C12 -0.3(15) . . . . ?
C12 C6 C7 C8 2(2) . . . . ?
C5 C6 C7 C8 -179.1(14) . . . . ?
C6 C7 C8 C9 -1(2) . . . . ?
C7 C8 C9 C11 1(2) . . . . ?
C7 C8 C9 C10 -177.1(15) . . . . ?
C8 C9 C10 O4 -20(3) . . . . ?
C11 C9 C10 O4 161.7(17) . . . . ?
C8 C9 C10 O3 159.4(15) . . . . ?
C11 C9 C10 O3 -18(2) . . . . ?
C8 C9 C11 C12 -1(2) . . . . ?
C10 C9 C11 C12 176.2(15) . . . . ?
C9 C11 C12 C6 2(2) . . . . ?
C9 C11 C12 C13 176.6(14) . . . . ?
C7 C6 C12 C11 -3(2) . . . . ?
C5 C6 C12 C11 178.2(12) . . . . ?
C7 C6 C12 C13 -177.8(14) . . . . ?
C5 C6 C12 C13 3.2(16) . . . . ?
C11 C12 C13 C14 -179.1(13) . . . . ?
C6 C12 C13 C14 -4.4(15) . . . . ?
C4 C5 C14 C15 3(2) . . . . ?
C6 C5 C14 C15 179.1(12) . . . . ?
C4 C5 C14 C13 -179.1(12) . . . . ?
C6 C5 C14 C13 -2.7(15) . . . . ?
C12 C13 C14 C15 -177.7(13) . . . . ?
C12 C13 C14 C5 4.3(15) . . . . ?
C3 C2 C15 C14 -0.4(18) . . . . ?
C1 C2 C15 C14 -178.0(11) . . . . ?
C5 C14 C15 C2 -0.7(18) . . . . ?
C13 C14 C15 C2 -178.6(13) . . . . ?
O5 C16 C17 C30 -170.1(12) . . . . ?
O6 C16 C17 C30 6.9(18) . . . . ?
O5 C16 C17 C18 14.1(18) . . . . ?
O6 C16 C17 C18 -168.9(12) . . . . ?
C30 C17 C18 C19 2(2) . . . . ?
C16 C17 C18 C19 177.8(13) . . . . ?
C17 C18 C19 C20 2(2) . . . . ?
C18 C19 C20 C21 177.2(15) . . . . ?
C18 C19 C20 C29 -4(2) . . . . ?
C19 C20 C21 C27 177.9(15) . . . . ?
C29 C20 C21 C27 -0.6(15) . . . . ?
C19 C20 C21 C22 -4(3) . . . . ?
C29 C20 C21 C22 177.1(13) . . . . ?
C27 C21 C22 C23 0(2) . . . . ?
C20 C21 C22 C23 -177.7(13) . . . . ?
C21 C22 C23 C24 -3(2) . . . . ?
C22 C23 C24 C26 5(2) . . . . ?
C22 C23 C24 C25 -175.7(14) . . . . ?
C23 C24 C25 O8 157.8(15) . . . . ?
C26 C24 C25 O8 -22(2) . . . . ?
C23 C24 C25 O7 -22.1(19) . . . . ?
C26 C24 C25 O7 157.7(13) . . . . ?
C23 C24 C25 Zn1 127(4) . . . 35 ?
C26 C24 C25 Zn1 -54(4) . . . 35 ?
C23 C24 C26 C27 -2(2) . . . . ?
C25 C24 C26 C27 178.5(12) . . . . ?
C24 C26 C27 C21 -2.0(18) . . . . ?
C24 C26 C27 C28 178.0(12) . . . . ?
C22 C21 C27 C26 3.0(19) . . . . ?
C20 C21 C27 C26 -179.2(11) . . . . ?
C22 C21 C27 C28 -176.9(12) . . . . ?
C20 C21 C27 C28 0.9(15) . . . . ?
C26 C27 C28 C29 179.3(12) . . . . ?
C21 C27 C28 C29 -0.7(13) . . . . ?
C19 C20 C29 C30 2(2) . . . . ?
C21 C20 C29 C30 -178.8(12) . . . . ?
C19 C20 C29 C28 -178.6(13) . . . . ?
C21 C20 C29 C28 0.1(14) . . . . ?
C27 C28 C29 C30 179.1(13) . . . . ?
C27 C28 C29 C20 0.3(13) . . . . ?
C18 C17 C30 C29 -4(2) . . . . ?
C16 C17 C30 C29 -179.7(11) . . . . ?
C20 C29 C30 C17 1.8(19) . . . . ?
C28 C29 C30 C17 -176.9(12) . . . . ?
O2 C1 O1 Zn1 1(2) . . . . ?
C2 C1 O1 Zn1 -178.1(8) . . . . ?
O1 C1 O2 Zn2 5.6(18) . . . . ?
C2 C1 O2 Zn2 -175.8(8) . . . . ?
O4 C10 O3 Zn2 13(2) . . . 28_665 ?
C9 C10 O3 Zn2 -166.7(10) . . . 28_665 ?
O3 C10 O4 Zn4 -4(4) . . . 28_665 ?
C9 C10 O4 Zn4 175.4(19) . . . 28_665 ?
O6 C16 O5 Zn1 7.0(18) . . . . ?
C17 C16 O5 Zn1 -176.4(8) . . . . ?
O5 C16 O6 Zn2 2.0(18) . . . . ?
C17 C16 O6 Zn2 -174.7(8) . . . . ?
O8 C25 O7 Zn3 -7(3) . . . 34_655 ?
C24 C25 O7 Zn3 172.6(15) . . . 34_655 ?
Zn1 C25 O7 Zn3 3(2) 35 . . 34_655 ?
O7 C25 O8 Zn1 15(2) . . . 35 ?
C24 C25 O8 Zn1 -164.6(10) . . . 35 ?

_refine_diff_density_max         0.232
_refine_diff_density_min         -0.700
_refine_diff_density_rms         0.049

# SQUEEZE RESULTS (Version =  30118)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 0.000 30 -5 ' '
2 -0.010 0.413 0.001 12014 3395 ' '
3 0.000 0.000 0.500 30 -5 ' '
4 0.333 0.667 0.167 29 -5 ' '
5 0.333 0.667 0.667 29 -5 ' '
6 0.667 0.333 0.333 29 -5 ' '
7 0.667 0.333 0.833 29 -5 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Zn8-de
_database_code_depnum_ccdc_archive 'CCDC 2106381'
loop_
_audit_author_name
_audit_author_address
'Tang xiaoyan'
;Changshu Institute of Technology
China
;
_audit_update_record             
;
2021-08-29 deposited with the CCDC.	2021-12-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C90 H48 O27 Zn8'
_chemical_formula_sum            'C90 H48 O27 Zn8'
_chemical_formula_weight         2084.24

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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c :H'
_space_group_name_Hall           '-R 3 2"c'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'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+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'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+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-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-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-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+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   19.3732(9)
_cell_length_b                   19.3732(9)
_cell_length_c                   78.804(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     25614(3)
_cell_formula_units_Z            12
_cell_measurement_temperature    103(2)
_cell_measurement_reflns_used    16479
_cell_measurement_theta_min      2.2120
_cell_measurement_theta_max      21.1760

_exptl_crystal_description       block
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_F_000             12528
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    2.287
_shelx_estimated_absorpt_T_min   0.645
_shelx_estimated_absorpt_T_max   0.755
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      103(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            55272
_diffrn_reflns_av_unetI/netI     0.0633
_diffrn_reflns_av_R_equivalents  0.0703
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -94
_diffrn_reflns_limit_l_max       87
_diffrn_reflns_theta_min         2.102
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measured_fraction_theta_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_point_group_measured_fraction_full 0.980
_reflns_number_total             5212
_reflns_number_gt                2036
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1720P)²+0.4726P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5212
_refine_ls_number_parameters     376
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2269
_refine_ls_R_factor_gt           0.1275
_refine_ls_wR_factor_ref         0.3693
_refine_ls_wR_factor_gt          0.3326
_refine_ls_goodness_of_fit_ref   1.216
_refine_ls_restrained_S_all      1.216
_refine_ls_shift/su_max          0.145
_refine_ls_shift/su_mean         0.005

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.47253(4) 0.25073(4) 0.20273(2) 0.1418(3) Uani 1 1 d . . . . .
Zn2 Zn 0.54457(4) 0.40249(5) 0.22231(2) 0.1533(3) Uani 1 1 d . . . . .
Zn3 Zn 0.666667 0.333333 0.19947(2) 0.1376(4) Uani 1 3 d S T P . .
Zn4 Zn 0.666667 0.333333 0.22794(3) 0.2746(12) Uani 1 3 d S T P . .
O1 O 0.3979(2) 0.2031(2) 0.22186(4) 0.1438(15) Uani 1 1 d . . . . .
O2 O 0.4427(2) 0.3240(2) 0.23350(4) 0.1477(14) Uani 1 1 d . . . . .
O3 O 0.4673(2) 0.1817(2) 0.18290(5) 0.1601(17) Uani 1 1 d . . . . .
O4 O 0.6387(3) 0.3967(3) 0.18309(5) 0.181(2) Uani 1 1 d . . . . .
O5 O 0.44366(17) 0.32353(19) 0.19102(4) 0.1303(12) Uani 1 1 d . . . . .
O6 O 0.5115(2) 0.4417(2) 0.20268(4) 0.1368(14) Uani 1 1 d . . . . .
O7 O 0.8681(4) 0.3956(2) 0.24147(5) 0.233(2) Uani 1 1 d . . . . .
O8 O 0.7301(4) 0.3122(4) 0.24244(5) 0.271(4) Uani 1 1 d . . . . .
O9 O 0.5776(2) 0.3230(2) 0.21393(3) 0.1445(14) Uani 1 1 d . . . . .
C1 C 0.3982(3) 0.2487(3) 0.23380(7) 0.134(2) Uani 1 1 d . . . . .
C2 C 0.3509(3) 0.2147(3) 0.24852(6) 0.126(2) Uani 1 1 d . . . . .
C3 C 0.3599(3) 0.2658(3) 0.26220(6) 0.135(2) Uani 1 1 d . . . . .
H3 H 0.395260 0.320385 0.261779 0.162 Uiso 1 1 calc R U . . .
C4 C 0.3127(3) 0.2292(3) 0.27629(6) 0.132(2) Uani 1 1 d . . . . .
C5 C 0.2585(3) 0.1476(3) 0.27748(7) 0.128(2) Uani 1 1 d . . . . .
C6 C 0.2556(4) 0.1014(3) 0.26382(7) 0.148(3) Uani 1 1 d . . . . .
H6 H 0.221484 0.046591 0.264233 0.177 Uiso 1 1 calc R U . . .
C7 C 0.3002(3) 0.1334(3) 0.25014(8) 0.151(3) Uani 1 1 d . . . . .
H7 H 0.297276 0.100087 0.241333 0.181 Uiso 1 1 calc R U . . .
C8 C 0.5306(4) 0.1988(3) 0.17716(8) 0.159(3) Uani 1 1 d . . . . .
C9 C 0.1650(3) 0.1338(3) 0.32625(5) 0.1258(19) Uani 1 1 d . . . . .
C10 C 0.2264(3) 0.2026(3) 0.31931(6) 0.129(2) Uani 1 1 d . . . . .
H10 H 0.251532 0.249260 0.325666 0.155 Uiso 1 1 calc R U . . .
C11 C 0.2495(3) 0.2014(3) 0.30316(6) 0.139(2) Uani 1 1 d . . . . .
C12 C 0.2142(3) 0.1287(3) 0.29412(6) 0.1179(18) Uani 1 1 d . . . . .
C13 C 0.1591(3) 0.0608(3) 0.30083(7) 0.145(3) Uani 1 1 d . . . . .
H13 H 0.136674 0.013663 0.294614 0.174 Uiso 1 1 calc R U . . .
C14 C 0.1354(3) 0.0617(3) 0.31762(8) 0.142(2) Uani 1 1 d . . . . .
H14 H 0.099917 0.014245 0.322983 0.171 Uiso 1 1 calc R U . . .
C15 C 0.3174(3) 0.2714(3) 0.29364(6) 0.137(2) Uani 1 1 d . . . . .
H15A H 0.368328 0.290226 0.299215 0.164 Uiso 1 1 calc R U . . .
H15B H 0.307312 0.315340 0.292227 0.164 Uiso 1 1 calc R U . . .
C16 C 0.4705(3) 0.3992(3) 0.19147(5) 0.1142(16) Uani 1 1 d . . . . .
C17 C 0.4487(3) 0.4314(3) 0.17676(6) 0.136(2) Uani 1 1 d . . . . .
C18 C 0.4135(3) 0.3873(3) 0.16322(7) 0.141(2) Uani 1 1 d . . . . .
H18 H 0.399592 0.333847 0.163225 0.169 Uiso 1 1 calc R U . . .
C19 C 0.3963(3) 0.4200(3) 0.14846(6) 0.148(2) Uani 1 1 d . . . . .
C20 C 0.4191(3) 0.4990(3) 0.14783(7) 0.137(2) Uani 1 1 d . . . . .
C21 C 0.4514(3) 0.5476(4) 0.16245(9) 0.154(2) Uani 1 1 d . . . . .
H21 H 0.460042 0.599300 0.162709 0.185 Uiso 1 1 calc R U . . .
C22 C 0.4711(3) 0.5135(3) 0.17730(8) 0.147(2) Uani 1 1 d . . . . .
H22 H 0.497240 0.544800 0.186689 0.177 Uiso 1 1 calc R U . . .
C23 C 0.8091(6) 0.3483(4) 0.24896(7) 0.325(4) Uani 1 1 d . . . . .
C24 C 0.3374(4) 0.5093(5) 0.09977(9) 0.260(5) Uani 1 1 d . . . . .
C25 C 0.3285(4) 0.4410(4) 0.10619(8) 0.187(3) Uani 1 1 d . . . . .
H25 H 0.301742 0.393343 0.100212 0.225 Uiso 1 1 calc R U . . .
C26 C 0.3619(4) 0.4446(4) 0.12262(7) 0.177(2) Uani 1 1 d . . . . .
C27 C 0.3914(3) 0.5103(3) 0.13110(8) 0.165(2) Uani 1 1 d . . . . .
C28 C 0.4050(4) 0.5826(4) 0.12520(9) 0.186(3) Uani 1 1 d . . . . .
H28 H 0.427625 0.627543 0.132106 0.223 Uiso 1 1 calc R U . . .
C29 C 0.3838(4) 0.5862(4) 0.10854(12) 0.251(3) Uani 1 1 d . . . . .
H29 H 0.398094 0.634363 0.103228 0.302 Uiso 1 1 calc R U . . .
C30 C 0.3561(4) 0.3769(4) 0.13307(6) 0.187(3) Uani 1 1 d . . . . .
H30A H 0.301214 0.336510 0.135230 0.225 Uiso 1 1 calc R U . . .
H30B H 0.383873 0.352464 0.127761 0.225 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O1 1.970(3) . ?
Zn1 O5 1.986(4) . ?
Zn1 O9 2.008(3) . ?
Zn1 O3 2.026(4) . ?
Zn1 Zn2 2.9786(11) . ?
Zn2 O6 1.966(4) . ?
Zn2 O7 1.971(5) 2_655 ?
Zn2 O2 1.996(3) . ?
Zn2 O9 2.050(5) . ?
Zn3 O9 1.993(4) . ?
Zn3 O9 1.993(4) 2_655 ?
Zn3 O9 1.993(4) 3_665 ?
Zn3 O4 2.032(5) 3_665 ?
Zn3 O4 2.032(5) 2_655 ?
Zn3 O4 2.032(5) . ?
Zn3 Zn4 2.244(3) . ?
Zn4 O8 1.867(7) 2_655 ?
Zn4 O8 1.867(7) 3_665 ?
Zn4 O8 1.867(7) . ?
Zn4 O9 1.973(4) 2_655 ?
Zn4 O9 1.973(4) 3_665 ?
Zn4 O9 1.973(4) . ?
O1 C1 1.288(7) . ?
O2 C1 1.271(6) . ?
O3 C8 1.187(8) . ?
O4 C8 1.314(7) 3_665 ?
O5 C16 1.288(5) . ?
O6 C16 1.198(5) . ?
O7 C23 1.203(9) . ?
O8 C23 1.423(11) . ?
C1 C2 1.419(7) . ?
C2 C7 1.384(7) . ?
C2 C3 1.414(7) . ?
C3 C4 1.387(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.397(6) . ?
C4 C15 1.572(7) . ?
C5 C6 1.382(8) . ?
C5 C12 1.508(7) . ?
C6 C7 1.326(8) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.515(8) 28 ?
C9 C10 1.379(6) . ?
C9 C14 1.393(8) . ?
C10 C11 1.353(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.413(7) . ?
C11 C15 1.532(6) . ?
C12 C13 1.322(6) . ?
C13 C14 1.403(8) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.474(7) . ?
C17 C18 1.323(7) . ?
C17 C22 1.425(8) . ?
C18 C19 1.442(8) . ?
C18 H18 0.9300 . ?
C19 C20 1.364(8) . ?
C19 C30 1.457(7) . ?
C20 C21 1.420(8) . ?
C20 C27 1.481(8) . ?
C21 C22 1.484(9) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.491(10) 34_655 ?
C24 C25 1.345(12) . ?
C24 C29 1.471(11) . ?
C25 C26 1.433(8) . ?
C25 H25 0.9300 . ?
C26 C27 1.291(8) . ?
C26 C30 1.505(9) . ?
C27 C28 1.369(9) . ?
C28 C29 1.388(11) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?

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
_geom_angle_publ_flag
O1 Zn1 O5 106.66(16) . . ?
O1 Zn1 O9 103.93(13) . . ?
O5 Zn1 O9 104.86(15) . . ?
O1 Zn1 O3 119.89(14) . . ?
O5 Zn1 O3 99.92(17) . . ?
O9 Zn1 O3 119.84(17) . . ?
O1 Zn1 Zn2 86.42(10) . . ?
O5 Zn1 Zn2 72.48(9) . . ?
O9 Zn1 Zn2 43.34(13) . . ?
O3 Zn1 Zn2 153.56(11) . . ?
O6 Zn2 O7 122.0(2) . 2_655 ?
O6 Zn2 O2 104.65(16) . . ?
O7 Zn2 O2 101.71(17) 2_655 . ?
O6 Zn2 O9 108.70(15) . . ?
O7 Zn2 O9 117.8(2) 2_655 . ?
O2 Zn2 O9 97.52(16) . . ?
O6 Zn2 Zn1 83.75(11) . . ?
O7 Zn2 Zn1 154.10(19) 2_655 . ?
O2 Zn2 Zn1 71.33(11) . . ?
O9 Zn2 Zn1 42.22(9) . . ?
O9 Zn3 O9 90.55(13) . 2_655 ?
O9 Zn3 O9 90.55(13) . 3_665 ?
O9 Zn3 O9 90.55(13) 2_655 3_665 ?
O9 Zn3 O4 169.93(16) . 3_665 ?
O9 Zn3 O4 99.20(15) 2_655 3_665 ?
O9 Zn3 O4 86.84(18) 3_665 3_665 ?
O9 Zn3 O4 99.19(15) . 2_655 ?
O9 Zn3 O4 86.84(18) 2_655 2_655 ?
O9 Zn3 O4 169.93(16) 3_665 2_655 ?
O4 Zn3 O4 84.0(2) 3_665 2_655 ?
O9 Zn3 O4 86.84(18) . . ?
O9 Zn3 O4 169.93(16) 2_655 . ?
O9 Zn3 O4 99.20(15) 3_665 . ?
O4 Zn3 O4 84.0(2) 3_665 . ?
O4 Zn3 O4 84.0(2) 2_655 . ?
O9 Zn3 Zn4 55.13(9) . . ?
O9 Zn3 Zn4 55.12(9) 2_655 . ?
O9 Zn3 Zn4 55.12(9) 3_665 . ?
O4 Zn3 Zn4 129.42(14) 3_665 . ?
O4 Zn3 Zn4 129.42(14) 2_655 . ?
O4 Zn3 Zn4 129.43(14) . . ?
O8 Zn4 O8 86.5(3) 2_655 3_665 ?
O8 Zn4 O8 86.5(3) 2_655 . ?
O8 Zn4 O8 86.5(3) 3_665 . ?
O8 Zn4 O9 163.4(2) 2_655 2_655 ?
O8 Zn4 O9 103.2(2) 3_665 2_655 ?
O8 Zn4 O9 80.8(2) . 2_655 ?
O8 Zn4 O9 80.8(2) 2_655 3_665 ?
O8 Zn4 O9 163.4(2) 3_665 3_665 ?
O8 Zn4 O9 103.2(2) . 3_665 ?
O9 Zn4 O9 91.72(15) 2_655 3_665 ?
O8 Zn4 O9 103.2(2) 2_655 . ?
O8 Zn4 O9 80.8(2) 3_665 . ?
O8 Zn4 O9 163.4(2) . . ?
O9 Zn4 O9 91.71(15) 2_655 . ?
O9 Zn4 O9 91.72(15) 3_665 . ?
O8 Zn4 Zn3 127.72(19) 2_655 . ?
O8 Zn4 Zn3 127.72(19) 3_665 . ?
O8 Zn4 Zn3 127.72(19) . . ?
O9 Zn4 Zn3 55.96(11) 2_655 . ?
O9 Zn4 Zn3 55.96(11) 3_665 . ?
O9 Zn4 Zn3 55.96(11) . . ?
C1 O1 Zn1 119.2(3) . . ?
C1 O2 Zn2 136.7(4) . . ?
C8 O3 Zn1 113.9(4) . . ?
C8 O4 Zn3 140.2(4) 3_665 . ?
C16 O5 Zn1 134.3(3) . . ?
C16 O6 Zn2 123.2(4) . . ?
C23 O7 Zn2 119.2(6) . 3_665 ?
C23 O8 Zn4 141.0(5) . . ?
Zn4 O9 Zn3 68.92(15) . . ?
Zn4 O9 Zn1 147.9(2) . . ?
Zn3 O9 Zn1 110.11(14) . . ?
Zn4 O9 Zn2 109.18(14) . . ?
Zn3 O9 Zn2 133.50(18) . . ?
Zn1 O9 Zn2 94.44(18) . . ?
O2 C1 O1 122.8(5) . . ?
O2 C1 C2 117.2(5) . . ?
O1 C1 C2 119.9(5) . . ?
C7 C2 C3 119.7(5) . . ?
C7 C2 C1 122.0(5) . . ?
C3 C2 C1 118.3(4) . . ?
C4 C3 C2 115.7(4) . . ?
C4 C3 H3 122.1 . . ?
C2 C3 H3 122.1 . . ?
C3 C4 C5 124.2(5) . . ?
C3 C4 C15 125.4(4) . . ?
C5 C4 C15 110.2(4) . . ?
C6 C5 C4 116.4(5) . . ?
C6 C5 C12 133.3(4) . . ?
C4 C5 C12 110.3(4) . . ?
C7 C6 C5 121.7(5) . . ?
C7 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
C6 C7 C2 122.2(6) . . ?
C6 C7 H7 118.9 . . ?
C2 C7 H7 118.9 . . ?
O3 C8 O4 132.2(6) . 2_655 ?
O3 C8 C9 117.8(5) . 28 ?
O4 C8 C9 110.0(5) 2_655 28 ?
C10 C9 C14 119.9(5) . . ?
C10 C9 C8 119.6(5) . 34 ?
C14 C9 C8 120.3(4) . 34 ?
C11 C10 C9 119.3(5) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
C10 C11 C12 119.4(4) . . ?
C10 C11 C15 126.2(5) . . ?
C12 C11 C15 114.1(4) . . ?
C13 C12 C11 122.6(5) . . ?
C13 C12 C5 131.9(5) . . ?
C11 C12 C5 105.3(4) . . ?
C12 C13 C14 118.1(5) . . ?
C12 C13 H13 121.0 . . ?
C14 C13 H13 121.0 . . ?
C9 C14 C13 120.0(5) . . ?
C9 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C11 C15 C4 99.5(4) . . ?
C11 C15 H15A 111.9 . . ?
C4 C15 H15A 111.9 . . ?
C11 C15 H15B 111.9 . . ?
C4 C15 H15B 111.9 . . ?
H15A C15 H15B 109.6 . . ?
O6 C16 O5 123.6(5) . . ?
O6 C16 C17 121.5(5) . . ?
O5 C16 C17 114.9(4) . . ?
C18 C17 C22 121.0(6) . . ?
C18 C17 C16 121.7(6) . . ?
C22 C17 C16 117.2(5) . . ?
C17 C18 C19 121.7(6) . . ?
C17 C18 H18 119.2 . . ?
C19 C18 H18 119.2 . . ?
C20 C19 C18 120.4(5) . . ?
C20 C19 C30 113.2(5) . . ?
C18 C19 C30 126.4(6) . . ?
C19 C20 C21 120.2(5) . . ?
C19 C20 C27 105.1(4) . . ?
C21 C20 C27 134.1(6) . . ?
C20 C21 C22 118.1(6) . . ?
C20 C21 H21 121.0 . . ?
C22 C21 H21 121.0 . . ?
C17 C22 C21 118.1(5) . . ?
C17 C22 H22 120.9 . . ?
C21 C22 H22 120.9 . . ?
O7 C23 O8 125.2(6) . . ?
O7 C23 C24 114.4(8) . 34_655 ?
O8 C23 C24 120.4(6) . 34_655 ?
C25 C24 C29 122.1(7) . . ?
C25 C24 C23 128.0(8) . 28_565 ?
C29 C24 C23 108.8(8) . 28_565 ?
C24 C25 C26 117.4(6) . . ?
C24 C25 H25 121.3 . . ?
C26 C25 H25 121.3 . . ?
C27 C26 C25 118.8(7) . . ?
C27 C26 C30 112.4(5) . . ?
C25 C26 C30 128.1(5) . . ?
C26 C27 C28 126.7(6) . . ?
C26 C27 C20 109.2(5) . . ?
C28 C27 C20 123.7(5) . . ?
C27 C28 C29 117.5(7) . . ?
C27 C28 H28 121.3 . . ?
C29 C28 H28 121.3 . . ?
C28 C29 C24 116.1(7) . . ?
C28 C29 H29 121.9 . . ?
C24 C29 H29 122.0 . . ?
C19 C30 C26 99.8(5) . . ?
C19 C30 H30A 111.8 . . ?
C26 C30 H30A 111.8 . . ?
C19 C30 H30B 111.8 . . ?
C26 C30 H30B 111.8 . . ?
H30A C30 H30B 109.5 . . ?

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
_geom_torsion_publ_flag
O8 Zn4 O8 C23 -59.9(10) 2_655 . . . ?
O8 Zn4 O8 C23 -146.6(9) 3_665 . . . ?
O9 Zn4 O8 C23 109.4(9) 2_655 . . . ?
O9 Zn4 O8 C23 19.8(9) 3_665 . . . ?
O9 Zn4 O8 C23 173.5(7) . . . . ?
Zn3 Zn4 O8 C23 76.7(10) . . . . ?
Zn2 O2 C1 O1 -23.2(9) . . . . ?
Zn2 O2 C1 C2 153.2(4) . . . . ?
Zn1 O1 C1 O2 2.8(8) . . . . ?
Zn1 O1 C1 C2 -173.4(4) . . . . ?
O2 C1 C2 C7 179.7(6) . . . . ?
O1 C1 C2 C7 -3.8(9) . . . . ?
O2 C1 C2 C3 -3.9(9) . . . . ?
O1 C1 C2 C3 172.6(5) . . . . ?
C7 C2 C3 C4 -3.0(9) . . . . ?
C1 C2 C3 C4 -179.5(6) . . . . ?
C2 C3 C4 C5 -0.4(10) . . . . ?
C2 C3 C4 C15 174.1(6) . . . . ?
C3 C4 C5 C6 2.9(10) . . . . ?
C15 C4 C5 C6 -172.3(6) . . . . ?
C3 C4 C5 C12 -177.1(6) . . . . ?
C15 C4 C5 C12 7.7(7) . . . . ?
C4 C5 C6 C7 -1.9(10) . . . . ?
C12 C5 C6 C7 178.0(7) . . . . ?
C5 C6 C7 C2 -1.4(11) . . . . ?
C3 C2 C7 C6 4.0(10) . . . . ?
C1 C2 C7 C6 -179.6(7) . . . . ?
Zn1 O3 C8 O4 16.4(10) . . . 2_655 ?
Zn1 O3 C8 C9 -162.6(4) . . . 28 ?
C14 C9 C10 C11 9.3(9) . . . . ?
C8 C9 C10 C11 -175.3(6) 34 . . . ?
C9 C10 C11 C12 -4.3(9) . . . . ?
C9 C10 C11 C15 -178.5(6) . . . . ?
C10 C11 C12 C13 -0.3(10) . . . . ?
C15 C11 C12 C13 174.6(6) . . . . ?
C10 C11 C12 C5 -175.1(6) . . . . ?
C15 C11 C12 C5 -0.2(7) . . . . ?
C6 C5 C12 C13 1.2(12) . . . . ?
C4 C5 C12 C13 -178.9(7) . . . . ?
C6 C5 C12 C11 175.3(7) . . . . ?
C4 C5 C12 C11 -4.8(7) . . . . ?
C11 C12 C13 C14 -0.2(10) . . . . ?
C5 C12 C13 C14 173.1(6) . . . . ?
C10 C9 C14 C13 -9.8(9) . . . . ?
C8 C9 C14 C13 174.9(6) 34 . . . ?
C12 C13 C14 C9 5.1(10) . . . . ?
C10 C11 C15 C4 178.8(6) . . . . ?
C12 C11 C15 C4 4.3(7) . . . . ?
C3 C4 C15 C11 177.7(6) . . . . ?
C5 C4 C15 C11 -7.1(7) . . . . ?
Zn2 O6 C16 O5 0.0(7) . . . . ?
Zn2 O6 C16 C17 -178.5(4) . . . . ?
Zn1 O5 C16 O6 -17.6(7) . . . . ?
Zn1 O5 C16 C17 160.9(3) . . . . ?
O6 C16 C17 C18 170.0(5) . . . . ?
O5 C16 C17 C18 -8.6(7) . . . . ?
O6 C16 C17 C22 -6.6(8) . . . . ?
O5 C16 C17 C22 174.8(5) . . . . ?
C22 C17 C18 C19 0.0(9) . . . . ?
C16 C17 C18 C19 -176.5(5) . . . . ?
C17 C18 C19 C20 2.8(8) . . . . ?
C17 C18 C19 C30 -178.4(6) . . . . ?
C18 C19 C20 C21 -7.6(9) . . . . ?
C30 C19 C20 C21 173.4(6) . . . . ?
C18 C19 C20 C27 -179.8(5) . . . . ?
C30 C19 C20 C27 1.3(7) . . . . ?
C19 C20 C21 C22 9.4(8) . . . . ?
C27 C20 C21 C22 178.8(5) . . . . ?
C18 C17 C22 C21 1.9(8) . . . . ?
C16 C17 C22 C21 178.6(5) . . . . ?
C20 C21 C22 C17 -6.5(8) . . . . ?
Zn2 O7 C23 O8 20.8(12) 3_665 . . . ?
Zn2 O7 C23 C24 -158.5(6) 3_665 . . 34_655 ?
Zn4 O8 C23 O7 -32.0(16) . . . . ?
Zn4 O8 C23 C24 147.3(7) . . . 34_655 ?
C29 C24 C25 C26 3.9(12) . . . . ?
C23 C24 C25 C26 171.1(7) 28_565 . . . ?
C24 C25 C26 C27 6.8(10) . . . . ?
C24 C25 C26 C30 175.9(7) . . . . ?
C25 C26 C27 C28 -10.0(10) . . . . ?
C30 C26 C27 C28 179.3(6) . . . . ?
C25 C26 C27 C20 177.7(5) . . . . ?
C30 C26 C27 C20 7.0(7) . . . . ?
C19 C20 C27 C26 -5.1(7) . . . . ?
C21 C20 C27 C26 -175.6(6) . . . . ?
C19 C20 C27 C28 -177.7(6) . . . . ?
C21 C20 C27 C28 11.8(10) . . . . ?
C26 C27 C28 C29 1.4(10) . . . . ?
C20 C27 C28 C29 172.7(6) . . . . ?
C27 C28 C29 C24 9.2(11) . . . . ?
C25 C24 C29 C28 -11.9(12) . . . . ?
C23 C24 C29 C28 178.7(7) 28_565 . . . ?
C20 C19 C30 C26 2.4(7) . . . . ?
C18 C19 C30 C26 -176.5(6) . . . . ?
C27 C26 C30 C19 -5.8(7) . . . . ?
C25 C26 C30 C19 -175.5(7) . . . . ?

_refine_diff_density_max         1.004
_refine_diff_density_min         -1.679
_refine_diff_density_rms         0.173

# SQUEEZE RESULTS (Version =  30118)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 0.000 69 5 ' '
2 -0.004 0.498 0.002 2347 297 ' '
3 0.000 0.000 0.500 69 5 ' '
4 0.075 0.237 0.049 15 3 ' '
5 0.075 0.838 0.549 15 3 ' '
6 0.096 0.592 0.216 15 3 ' '
7 0.096 0.504 0.716 15 3 ' '
8 0.162 0.925 0.049 15 3 ' '
9 0.162 0.237 0.549 15 3 ' '
10 0.171 0.429 0.118 14 3 ' '
11 0.171 0.742 0.618 15 3 ' '
12 0.237 0.075 0.451 15 3 ' '
13 0.237 0.162 0.951 15 3 ' '
14 0.258 0.829 0.118 15 3 ' '
15 0.258 0.429 0.618 15 3 ' '
16 0.333 0.667 0.167 67 5 ' '
17 0.333 0.667 0.667 68 5 ' '
18 0.408 0.504 0.216 15 3 ' '
19 0.408 0.904 0.716 15 2 ' '
20 0.429 0.171 0.382 15 3 ' '
21 0.429 0.258 0.882 15 3 ' '
22 0.495 0.904 0.216 14 3 ' '
23 0.495 0.592 0.716 15 3 ' '
24 0.504 0.408 0.284 15 3 ' '
25 0.504 0.096 0.784 15 3 ' '
26 0.570 0.742 0.118 15 3 ' '
27 0.570 0.829 0.618 15 3 ' '
28 0.592 0.096 0.284 15 3 ' '
29 0.592 0.496 0.784 15 3 ' '
30 0.667 0.333 0.333 67 5 ' '
31 0.667 0.333 0.833 68 5 ' '
32 0.742 0.571 0.382 15 3 ' '
33 0.742 0.171 0.882 15 3 ' '
34 0.763 0.838 0.049 15 3 ' '
35 0.763 0.925 0.549 15 3 ' '
36 0.829 0.258 0.382 15 3 ' '
37 0.829 0.570 0.882 15 3 ' '
38 0.838 0.763 0.451 15 3 ' '
39 0.838 0.075 0.951 15 3 ' '
40 0.904 0.495 0.284 14 3 ' '
41 0.904 0.408 0.784 15 3 ' '
42 0.925 0.162 0.451 15 3 ' '
43 0.925 0.763 0.951 15 3 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?




