# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# 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_t_sq
_audit_block_doi                 10.5517/ccdc.csd.cc291cf5
_database_code_depnum_ccdc_archive 'CCDC 2116476'
loop_
_audit_author_name
_audit_author_address
'Lai CL'
;CCNU
China
;
_audit_update_record             
;
2021-10-19 deposited with the CCDC.	2022-08-31 downloaded from the CCDC.
;
_audit_creation_date             2021-10-05
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.04.09 svn.r3586 for OlexSys, GUI svn.r5731)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(C384 H208 N48 O76 Zn20)'
_chemical_formula_sum            'C96 H52 N12 O19 Zn5'
_chemical_formula_weight         2004.34
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0148 0.0070 '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 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -2.7473 0.5279 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           74
_space_group_name_H-M_alt        'I m m a'
_space_group_name_Hall           '-I 2b 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z'
'-x, y+1/2, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z'
'x, -y-1/2, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   28.4219(14)
_cell_length_b                   60.523(3)
_cell_length_c                   13.5431(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     23297(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9009
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      56.57
_cell_measurement_theta_min      2.99
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.541
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_correction_T_min  0.6389
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0963 before and 0.0564 after correction.
The Ratio of minimum to maximum transmission is 0.8505.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    0.571
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4056
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       75
_diffrn_reflns_limit_k_min       -75
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            108321
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         57.139
_diffrn_reflns_theta_min         2.541
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10065
_reflns_number_total             12240
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.973
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.402
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         12240
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0839
_refine_ls_restrained_S_all      1.402
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3003
_refine_ls_wR_factor_ref         0.3154
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed U12: Zn1(0) Zn2(0) Zn3(0) Zn3A(0) O5(0) O5A(0) O6(0) N3(0) N4(0)
 Fixed U13: Zn1(0) Zn3(0) Zn3A(0) O5(0) O5A(0) O6(0) N3(0)
 Fixed U23: Zn2(0) Zn3(0) Zn3A(0) O5(0) O5A(0) N4(0)
 Fixed Uiso: H5A(0.144) H5B(0.144) H5AA(0.176) H5AB(0.176) H6(0.155) H3(0.106)
 H4(0.111) H7(0.079) H9(0.092) H11(0.112) H12(0.109) H15(0.123) H16(0.125)
 H18(0.121) H19(0.12) H22(0.101) H23(0.126)
 Fixed X: Zn1(0.5) Zn2(0.25) Zn3(0) Zn3A(0) O5(0) H5A(0.0242) H5B(-0.0242)
 O5A(0) H5AA(-0.0242) H5AB(0.0242) O6(0.5) H6(0.5) N3(0) H3(0.199315)
 H4(0.195009) H7(0.320982) H9(0.382681) H11(0.381968) H12(0.309388)
 H15(0.165374) H16(0.104093) H18(0.153901) H19(0.213854) H22(0.043873)
 H23(0.174995)
 Fixed Y: Zn3(0.25) Zn3A(0.25) O5(0.25) H5A(0.25) H5B(0.25) O5A(0.25)
 H5AA(0.25) H5AB(0.25) H6(0.543568) N4(0.25) H3(0.38737) H4(0.412182)
 H7(0.415061) H9(0.449389) H11(0.491814) H12(0.477472) H15(0.34132)
 H16(0.316858) H18(0.304096) H19(0.329256) H22(0.332667) H23(0.2704)
 Fixed Z: Zn2(0.75) H5A(1.038402) H5B(1.038402) H5AA(0.601239) H5AB(0.601239)
 H6(0.268705) H3(0.456721) H4(0.327099) H7(0.555745) H9(0.482823) H11(0.24872)
 H12(0.194801) H15(0.640943) H16(0.667565) H18(0.937217) H19(0.905008)
 H22(0.823661) H23(0.795609)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.500000 0.51688(2) 0.41840(4) 0.0738(2) Uani 1 2 d S T P . .
Zn2 Zn 0.250000 0.35950(2) 0.750000 0.0753(2) Uani 1 2 d S T P . .
Zn3 Zn 0.000000 0.250000 0.8489(3) 0.0549(7) Uani 0.646(9) 4 d S T P A 1
Zn3A Zn 0.000000 0.250000 0.7928(7) 0.0591(12) Uani 0.354(9) 4 d S T P A 2
O1 O 0.28991(6) 0.38621(3) 0.67242(15) 0.0710(4) Uani 1 1 d . . . . .
O2 O 0.22955(7) 0.36827(3) 0.60786(18) 0.0831(6) Uani 1 1 d . . . . .
O3 O 0.45003(8) 0.47371(4) 0.48346(18) 0.0957(7) Uani 1 1 d . . . . .
O4 O 0.44945(10) 0.49733(5) 0.35746(19) 0.1093(9) Uani 1 1 d . . . . .
O5 O 0.000000 0.250000 0.9991(5) 0.096(2) Uani 0.646(9) 4 d S T P A 1
H5A H 0.024200 0.250000 1.038402 0.144 Uiso 0.323(5) 2 d RS T P A 1
H5B H -0.024200 0.250000 1.038402 0.144 Uiso 0.323(5) 2 d RS T P A 1
O5A O 0.000000 0.250000 0.6406(12) 0.118(6) Uani 0.354(9) 4 d S T P A 2
H5AA H -0.024200 0.250000 0.601239 0.176 Uiso 0.177(5) 2 d RS T P A 2
H5AB H 0.024200 0.250000 0.601239 0.176 Uiso 0.177(5) 2 d RS T P A 2
O6 O 0.500000 0.54340(6) 0.3329(3) 0.1036(12) Uani 1 2 d S T P . .
H6 H 0.500000 0.543568 0.268705 0.155 Uiso 1 2 d RS T P . .
N1 N 0.26267(11) 0.44403(6) 0.2938(2) 0.0955(9) Uani 1 1 d . . . . .
N2 N 0.19535(8) 0.33730(3) 0.7734(2) 0.0826(7) Uani 1 1 d . . . . .
N3 N 0.000000 0.28374(4) 0.8189(3) 0.0658(7) Uani 1 2 d S T P . .
N4 N 0.07137(10) 0.250000 0.8208(3) 0.0716(8) Uani 1 2 d S T P . .
C1 C 0.26046(9) 0.38383(4) 0.6032(2) 0.0702(6) Uani 1 1 d . . . . .
C2 C 0.25970(9) 0.39901(5) 0.5199(2) 0.0704(6) Uani 1 1 d . . . . .
C3 C 0.22307(10) 0.39830(6) 0.4498(3) 0.0887(9) Uani 1 1 d . . . . .
H3 H 0.199315 0.387370 0.456721 0.106 Uiso 1 1 calc R . . . .
C4 C 0.22039(11) 0.41265(7) 0.3727(3) 0.0927(10) Uani 1 1 d . . . . .
H4 H 0.195009 0.412182 0.327099 0.111 Uiso 1 1 calc R . . . .
C5 C 0.25665(10) 0.42812(6) 0.3635(2) 0.0841(8) Uani 1 1 d . . . . .
C6 C 0.29476(9) 0.42906(5) 0.43051(18) 0.0685(6) Uani 1 1 d . . . . .
C7 C 0.29593(8) 0.41452(4) 0.50938(18) 0.0657(5) Uani 1 1 d . . . . .
H7 H 0.320982 0.415061 0.555745 0.079 Uiso 1 1 calc R . . . .
C8 C 0.32564(10) 0.44632(5) 0.3941(2) 0.0723(6) Uani 1 1 d . . . . .
C9 C 0.36782(10) 0.45483(5) 0.42489(19) 0.0768(7) Uani 1 1 d . . . . .
H9 H 0.382681 0.449389 0.482823 0.092 Uiso 1 1 calc R . . . .
C10 C 0.38844(11) 0.47160(6) 0.3696(2) 0.0849(8) Uani 1 1 d . . . . .
C11 C 0.36710(14) 0.48023(7) 0.2843(2) 0.0935(9) Uani 1 1 d . . . . .
H11 H 0.381968 0.491814 0.248720 0.112 Uiso 1 1 calc R . . . .
C12 C 0.32450(13) 0.47188(7) 0.2522(2) 0.0911(9) Uani 1 1 d . . . . .
H12 H 0.309388 0.477472 0.194801 0.109 Uiso 1 1 calc R . . . .
C13 C 0.30519(11) 0.45527(6) 0.3066(2) 0.0834(8) Uani 1 1 d . . . . .
C14 C 0.43305(13) 0.48175(6) 0.4054(3) 0.0919(10) Uani 1 1 d . . . . .
C15 C 0.16316(13) 0.33370(6) 0.7021(4) 0.1027(11) Uani 1 1 d . . . . .
H15 H 0.165374 0.341320 0.640943 0.123 Uiso 1 1 calc R . . . .
C16 C 0.12689(13) 0.31888(6) 0.7181(4) 0.1038(11) Uani 1 1 d . . . . .
H16 H 0.104093 0.316858 0.667565 0.125 Uiso 1 1 calc R . . . .
C17 C 0.12260(8) 0.30735(4) 0.8011(3) 0.0795(8) Uani 1 1 d . . . . .
C18 C 0.15560(12) 0.31141(6) 0.8753(4) 0.1012(11) Uani 1 1 d . . . . .
H18 H 0.153901 0.304096 0.937217 0.121 Uiso 1 1 calc R . . . .
C19 C 0.19112(12) 0.32660(5) 0.8550(4) 0.0999(11) Uani 1 1 d . . . . .
H19 H 0.213854 0.329256 0.905008 0.120 Uiso 1 1 calc R . . . .
C20 C 0.08506(9) 0.29014(4) 0.8153(3) 0.0772(7) Uani 1 1 d . . . . .
C21 C 0.03871(9) 0.29732(4) 0.8180(2) 0.0713(6) Uani 1 1 d . . . . .
C22 C 0.02397(9) 0.32006(4) 0.8216(3) 0.0841(8) Uani 1 1 d . . . . .
H22 H 0.043873 0.332667 0.823661 0.101 Uiso 1 1 calc R . . . .
C23 C 0.14830(10) 0.26108(4) 0.8023(4) 0.1053(13) Uani 1 1 d . . . . .
H23 H 0.174995 0.270400 0.795609 0.126 Uiso 1 1 calc R . . . .
C24 C 0.10033(9) 0.26806(4) 0.8144(3) 0.0786(8) 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 Zn1 3.0101(8) 9_666 ?
Zn1 O3 2.027(2) 4_566 ?
Zn1 O3 2.027(2) 9_666 ?
Zn1 O4 2.036(3) . ?
Zn1 O4 2.036(3) 12_655 ?
Zn1 O6 1.979(2) . ?
Zn2 O1 2.2372(17) . ?
Zn2 O1 2.2371(17) 7_546 ?
Zn2 O2 2.080(3) . ?
Zn2 O2 2.080(3) 7_546 ?
Zn2 N2 2.078(2) . ?
Zn2 N2 2.078(2) 7_546 ?
Zn2 C1 2.492(3) 7_546 ?
Zn2 C1 2.492(3) . ?
Zn3 O5 2.034(9) . ?
Zn3 N3 2.082(3) 2 ?
Zn3 N3 2.082(3) . ?
Zn3 N4 2.064(3) . ?
Zn3 N4 2.064(3) 2 ?
Zn3A O5A 2.061(18) . ?
Zn3A N3 2.072(3) 2 ?
Zn3A N3 2.073(3) . ?
Zn3A N4 2.064(3) . ?
Zn3A N4 2.064(3) 2 ?
O1 C1 1.265(4) . ?
O2 C1 1.290(3) . ?
O3 C14 1.260(4) . ?
O4 C14 1.236(4) . ?
O5 H5A 0.8699 . ?
O5 H5B 0.8699 . ?
O5A H5AA 0.8699 . ?
O5A H5AB 0.8699 . ?
O6 H6 0.8699 . ?
N1 N1 1.387(5) 7_545 ?
N1 C5 1.360(5) . ?
N1 C13 1.398(4) . ?
N2 C15 1.348(5) . ?
N2 C19 1.286(5) . ?
N3 C21 1.373(3) 12 ?
N3 C21 1.373(3) . ?
N4 C24 1.371(3) 11_565 ?
N4 C24 1.371(3) . ?
C1 C2 1.455(5) . ?
C2 C3 1.410(4) . ?
C2 C7 1.401(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.361(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.398(5) . ?
C5 C6 1.414(4) . ?
C6 C7 1.384(4) . ?
C6 C8 1.451(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.370(4) . ?
C8 C13 1.427(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.391(4) . ?
C10 C11 1.405(5) . ?
C10 C14 1.490(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.382(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.362(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.383(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.329(6) . ?
C17 C18 1.396(6) . ?
C17 C20 1.503(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.393(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.388(4) . ?
C20 C24 1.405(3) . ?
C21 C22 1.439(3) . ?
C22 C22 1.363(5) 12 ?
C22 H22 0.9500 . ?
C23 C23 1.340(5) 11_565 ?
C23 H23 0.9500 . ?
C23 C24 1.437(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
_geom_angle_publ_flag
O3 Zn1 Zn1 73.10(6) 4_566 9_666 ?
O3 Zn1 Zn1 73.10(6) 9_666 9_666 ?
O3 Zn1 O3 88.98(16) 9_666 4_566 ?
O3 Zn1 O4 157.46(9) 4_566 12_655 ?
O3 Zn1 O4 86.25(13) 4_566 . ?
O3 Zn1 O4 86.25(13) 9_666 12_655 ?
O3 Zn1 O4 157.46(9) 9_666 . ?
O4 Zn1 Zn1 84.44(7) 12_655 9_666 ?
O4 Zn1 Zn1 84.44(7) . 9_666 ?
O4 Zn1 O4 89.8(2) . 12_655 ?
O6 Zn1 Zn1 168.56(15) . 9_666 ?
O6 Zn1 O3 98.96(12) . 9_666 ?
O6 Zn1 O3 98.96(12) . 4_566 ?
O6 Zn1 O4 103.54(12) . . ?
O6 Zn1 O4 103.54(12) . 12_655 ?
O1 Zn2 O1 87.44(9) 7_546 . ?
O1 Zn2 C1 90.45(7) . 7_546 ?
O1 Zn2 C1 90.46(7) 7_546 . ?
O1 Zn2 C1 30.41(8) . . ?
O1 Zn2 C1 30.41(8) 7_546 7_546 ?
O2 Zn2 O1 61.47(7) . . ?
O2 Zn2 O1 96.22(7) 7_546 . ?
O2 Zn2 O1 96.23(7) . 7_546 ?
O2 Zn2 O1 61.47(7) 7_546 7_546 ?
O2 Zn2 O2 150.40(9) . 7_546 ?
O2 Zn2 C1 123.64(8) . 7_546 ?
O2 Zn2 C1 123.64(8) 7_546 . ?
O2 Zn2 C1 31.13(8) 7_546 7_546 ?
O2 Zn2 C1 31.14(8) . . ?
N2 Zn2 O1 156.61(10) 7_546 7_546 ?
N2 Zn2 O1 90.95(7) . 7_546 ?
N2 Zn2 O1 90.95(7) 7_546 . ?
N2 Zn2 O1 156.62(10) . . ?
N2 Zn2 O2 95.59(10) 7_546 7_546 ?
N2 Zn2 O2 103.47(10) . 7_546 ?
N2 Zn2 O2 103.47(10) 7_546 . ?
N2 Zn2 O2 95.59(10) . . ?
N2 Zn2 N2 99.45(11) 7_546 . ?
N2 Zn2 C1 126.37(11) . . ?
N2 Zn2 C1 99.86(9) . 7_546 ?
N2 Zn2 C1 99.86(9) 7_546 . ?
N2 Zn2 C1 126.37(11) 7_546 7_546 ?
C1 Zn2 C1 107.53(11) 7_546 . ?
O5 Zn3 N3 101.24(16) . . ?
O5 Zn3 N3 101.24(16) . 2 ?
O5 Zn3 N4 100.64(17) . 2 ?
O5 Zn3 N4 100.64(17) . . ?
N3 Zn3 N3 157.5(3) 2 . ?
N4 Zn3 N3 87.94(6) 2 2 ?
N4 Zn3 N3 87.94(5) . 2 ?
N4 Zn3 N3 87.94(5) 2 . ?
N4 Zn3 N3 87.94(6) . . ?
N4 Zn3 N4 158.7(3) . 2 ?
O5A Zn3A N3 99.8(3) . . ?
O5A Zn3A N4 100.6(3) . . ?
N3 Zn3A N3 160.3(5) 2 . ?
N4 Zn3A N3 88.20(9) . . ?
N4 Zn3A N3 88.20(9) 2 . ?
N4 Zn3A N3 88.20(9) 2 2 ?
N4 Zn3A N3 88.20(9) . 2 ?
N4 Zn3A N4 158.8(5) . 2 ?
C1 O1 Zn2 86.00(15) . . ?
C1 O2 Zn2 92.4(2) . . ?
C14 O3 Zn1 135.2(2) . 9_666 ?
C14 O4 Zn1 119.8(2) . . ?
Zn3 O5 H5A 127.8 . . ?
Zn3 O5 H5B 127.8 . . ?
H5A O5 H5B 104.5 . . ?
Zn3A O5A H5AA 127.8 . . ?
Zn3A O5A H5AB 127.8 . . ?
H5AA O5A H5AB 104.5 . . ?
Zn1 O6 H6 126.5 . . ?
N1 N1 C13 123.7(3) 7_545 . ?
C5 N1 N1 121.9(2) . 7_545 ?
C5 N1 C13 111.5(2) . . ?
C15 N2 Zn2 120.2(2) . . ?
C19 N2 Zn2 121.8(2) . . ?
C19 N2 C15 118.1(3) . . ?
C21 N3 Zn3 126.07(14) 12 . ?
C21 N3 Zn3 126.07(14) . . ?
C21 N3 Zn3A 126.03(14) . . ?
C21 N3 Zn3A 126.02(14) 12 . ?
C21 N3 C21 106.5(3) 12 . ?
C24 N4 Zn3 126.99(13) 11_565 . ?
C24 N4 Zn3 126.99(13) . . ?
C24 N4 Zn3A 125.34(18) 11_565 . ?
C24 N4 Zn3A 125.35(17) . . ?
C24 N4 C24 105.7(3) 11_565 . ?
O1 C1 Zn2 63.59(15) . . ?
O1 C1 O2 119.9(3) . . ?
O1 C1 C2 120.8(2) . . ?
O2 C1 Zn2 56.51(17) . . ?
O2 C1 C2 119.3(3) . . ?
C2 C1 Zn2 171.86(19) . . ?
C3 C2 C1 120.9(3) . . ?
C7 C2 C1 119.4(2) . . ?
C7 C2 C3 119.6(3) . . ?
C2 C3 H3 118.7 . . ?
C4 C3 C2 122.6(3) . . ?
C4 C3 H3 118.7 . . ?
C3 C4 H4 121.5 . . ?
C3 C4 C5 117.0(3) . . ?
C5 C4 H4 121.5 . . ?
N1 C5 C4 129.0(3) . . ?
N1 C5 C6 108.7(3) . . ?
C4 C5 C6 122.3(3) . . ?
C5 C6 C8 105.9(2) . . ?
C7 C6 C5 119.2(3) . . ?
C7 C6 C8 134.9(2) . . ?
C2 C7 H7 120.4 . . ?
C6 C7 C2 119.2(2) . . ?
C6 C7 H7 120.4 . . ?
C9 C8 C6 134.2(2) . . ?
C9 C8 C13 117.8(3) . . ?
C13 C8 C6 108.0(2) . . ?
C8 C9 H9 120.7 . . ?
C8 C9 C10 118.6(3) . . ?
C10 C9 H9 120.7 . . ?
C9 C10 C11 122.1(3) . . ?
C9 C10 C14 119.0(3) . . ?
C11 C10 C14 118.8(3) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.1(3) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 121.6 . . ?
C13 C12 C11 116.9(3) . . ?
C13 C12 H12 121.6 . . ?
N1 C13 C8 105.7(3) . . ?
C12 C13 N1 129.8(3) . . ?
C12 C13 C8 124.4(3) . . ?
O3 C14 C10 116.1(3) . . ?
O4 C14 O3 126.2(3) . . ?
O4 C14 C10 117.7(3) . . ?
N2 C15 H15 120.0 . . ?
N2 C15 C16 119.9(4) . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 118.6 . . ?
C17 C16 C15 122.8(4) . . ?
C17 C16 H16 118.6 . . ?
C16 C17 C18 117.0(3) . . ?
C16 C17 C20 122.5(3) . . ?
C18 C17 C20 120.5(3) . . ?
C17 C18 H18 121.3 . . ?
C19 C18 C17 117.5(4) . . ?
C19 C18 H18 121.3 . . ?
N2 C19 C18 124.7(4) . . ?
N2 C19 H19 117.6 . . ?
C18 C19 H19 117.6 . . ?
C21 C20 C17 117.4(2) . . ?
C21 C20 C24 126.3(2) . . ?
C24 C20 C17 116.0(2) . . ?
N3 C21 C20 125.0(2) . . ?
N3 C21 C22 109.8(2) . . ?
C20 C21 C22 125.2(2) . . ?
C21 C22 H22 126.5 . . ?
C22 C22 C21 106.92(14) 12 . ?
C22 C22 H22 126.5 12 . ?
C23 C23 H23 126.4 11_565 . ?
C23 C23 C24 107.11(14) 11_565 . ?
C24 C23 H23 126.4 . . ?
N4 C24 C20 124.9(2) . . ?
N4 C24 C23 110.0(2) . . ?
C20 C24 C23 125.0(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn1 O3 C14 O4 12.8(7) 9_666 . . . ?
Zn1 O3 C14 C10 -165.9(3) 9_666 . . . ?
Zn1 O4 C14 O3 -14.0(6) . . . . ?
Zn1 O4 C14 C10 164.7(3) . . . . ?
Zn2 O1 C1 O2 -5.3(2) . . . . ?
Zn2 O1 C1 C2 172.2(2) . . . . ?
Zn2 O2 C1 O1 5.7(2) . . . . ?
Zn2 O2 C1 C2 -171.9(2) . . . . ?
Zn2 N2 C15 C16 179.9(3) . . . . ?
Zn2 N2 C19 C18 -179.6(3) . . . . ?
Zn3 N3 C21 C20 15.1(5) . . . . ?
Zn3 N3 C21 C22 -164.2(3) . . . . ?
Zn3 N4 C24 C20 -7.5(6) . . . . ?
Zn3 N4 C24 C23 175.0(4) . . . . ?
Zn3A N3 C21 C20 -11.1(6) . . . . ?
Zn3A N3 C21 C22 169.7(4) . . . . ?
Zn3A N4 C24 C20 18.8(6) . . . . ?
Zn3A N4 C24 C23 -158.7(4) . . . . ?
O1 C1 C2 C3 -171.2(3) . . . . ?
O1 C1 C2 C7 8.9(4) . . . . ?
O2 C1 C2 C3 6.3(4) . . . . ?
O2 C1 C2 C7 -173.6(2) . . . . ?
N1 N1 C5 C4 -14.5(7) 7_545 . . . ?
N1 N1 C5 C6 165.0(3) 7_545 . . . ?
N1 N1 C13 C8 -164.4(3) 7_545 . . . ?
N1 N1 C13 C12 17.6(6) 7_545 . . . ?
N1 C5 C6 C7 179.1(3) . . . . ?
N1 C5 C6 C8 -2.1(4) . . . . ?
N2 C15 C16 C17 -1.6(6) . . . . ?
N3 C21 C22 C22 -1.9(3) . . . 12 ?
C1 C2 C3 C4 178.0(3) . . . . ?
C1 C2 C7 C6 -179.4(2) . . . . ?
C2 C3 C4 C5 1.7(5) . . . . ?
C3 C2 C7 C6 0.7(4) . . . . ?
C3 C4 C5 N1 179.5(4) . . . . ?
C3 C4 C5 C6 0.1(6) . . . . ?
C4 C5 C6 C7 -1.4(5) . . . . ?
C4 C5 C6 C8 177.4(3) . . . . ?
C5 N1 C13 C8 -3.2(4) . . . . ?
C5 N1 C13 C12 178.8(4) . . . . ?
C5 C6 C7 C2 1.0(4) . . . . ?
C5 C6 C8 C9 -179.0(4) . . . . ?
C5 C6 C8 C13 0.1(4) . . . . ?
C6 C8 C9 C10 178.9(4) . . . . ?
C6 C8 C13 N1 1.8(4) . . . . ?
C6 C8 C13 C12 179.9(4) . . . . ?
C7 C2 C3 C4 -2.1(5) . . . . ?
C7 C6 C8 C9 -0.4(6) . . . . ?
C7 C6 C8 C13 178.7(3) . . . . ?
C8 C6 C7 C2 -177.5(3) . . . . ?
C8 C9 C10 C11 0.9(6) . . . . ?
C8 C9 C10 C14 176.9(3) . . . . ?
C9 C8 C13 N1 -178.9(3) . . . . ?
C9 C8 C13 C12 -0.8(6) . . . . ?
C9 C10 C11 C12 -0.8(6) . . . . ?
C9 C10 C14 O3 2.2(6) . . . . ?
C9 C10 C14 O4 -176.6(4) . . . . ?
C10 C11 C12 C13 -0.1(6) . . . . ?
C11 C10 C14 O3 178.3(4) . . . . ?
C11 C10 C14 O4 -0.5(6) . . . . ?
C11 C12 C13 N1 178.5(4) . . . . ?
C11 C12 C13 C8 0.9(6) . . . . ?
C13 N1 C5 C4 -176.1(4) . . . . ?
C13 N1 C5 C6 3.4(4) . . . . ?
C13 C8 C9 C10 -0.1(5) . . . . ?
C14 C10 C11 C12 -176.8(4) . . . . ?
C15 N2 C19 C18 0.2(5) . . . . ?
C15 C16 C17 C18 2.6(6) . . . . ?
C15 C16 C17 C20 -175.7(3) . . . . ?
C16 C17 C18 C19 -2.1(5) . . . . ?
C16 C17 C20 C21 -66.3(4) . . . . ?
C16 C17 C20 C24 107.5(4) . . . . ?
C17 C18 C19 N2 0.8(6) . . . . ?
C17 C20 C21 N3 172.1(3) . . . . ?
C17 C20 C21 C22 -8.8(5) . . . . ?
C17 C20 C24 N4 -176.4(3) . . . . ?
C17 C20 C24 C23 0.8(6) . . . . ?
C18 C17 C20 C21 115.5(4) . . . . ?
C18 C17 C20 C24 -70.7(4) . . . . ?
C19 N2 C15 C16 0.1(5) . . . . ?
C20 C17 C18 C19 176.2(3) . . . . ?
C20 C21 C22 C22 178.9(3) . . . 12 ?
C21 N3 C21 C20 -177.8(2) 12 . . . ?
C21 N3 C21 C22 3.0(5) 12 . . . ?
C21 C20 C24 N4 -3.2(6) . . . . ?
C21 C20 C24 C23 173.9(4) . . . . ?
C23 C23 C24 N4 -0.5(3) 11_565 . . . ?
C23 C23 C24 C20 -178.0(3) 11_565 . . . ?
C24 N4 C24 C20 178.3(2) 11_565 . . . ?
C24 N4 C24 C23 0.8(5) 11_565 . . . ?
C24 C20 C21 N3 -1.0(6) . . . . ?
C24 C20 C21 C22 178.2(3) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  ?
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 -0.014 0.001 0.407 16743 3186 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
