# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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 
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data_20230318el_0m
_database_code_depnum_ccdc_archive 'CCDC 2338673'
loop_
_audit_author_name
_audit_author_address
chenqiang
;NorthWest University
China
;
_audit_update_record             
;
2024-03-08 deposited with the CCDC.	2024-05-06 downloaded from the CCDC.
;
_audit_creation_date             2023-03-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H28 N8 O18 Zn3, 3(H2 O)'
_chemical_formula_sum            'C48 H34 N8 O21 Zn3'
_chemical_formula_weight         1254.94
_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 0.0137 0.0067 '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 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   14.3702(8)
_cell_length_b                   13.3514(8)
_cell_length_c                   24.3154(14)
_cell_angle_alpha                90
_cell_angle_beta                 94.535(2)
_cell_angle_gamma                90
_cell_volume                     4650.6(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9371
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      54.772
_cell_measurement_theta_min      3.938
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.743
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.6110
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1671 before and 0.0594 after correction.
The Ratio of minimum to maximum transmission is 0.8138.
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    1.792
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2544
_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  0.0436
_diffrn_reflns_av_unetI/netI     0.0262
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            31249
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.898
_diffrn_reflns_theta_min         3.172
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  Bruker
_diffrn_measurement_method       ?
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.1997996
_diffrn_source_voltage           69.86
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3965
_reflns_number_total             4398
_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.
;
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.529
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     368
_refine_ls_number_reflns         4398
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0300
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0323P)²+13.2386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0757
_refine_ls_wR_factor_ref         0.0788
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 H9A-O4_$1
 2.1 with sigma of 0.02
3. Others
 Fixed Sof: H9A(0.5) H9B(0.5)
4.a Free rotating group:
 O5(H5A,H5B), O9(H9A,H9B)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C9(H9), C11(H11), C12(H12), C13(H13), C14(H14),
 C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C23(H23)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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 0.86228(3) 0.750000 0.01202(11) Uani 1 2 d S T P . .
Zn2 Zn 0.44145(2) 0.34233(2) 0.55393(2) 0.01321(10) Uani 1 1 d . . . . .
O1 O 0.56432(10) 0.86050(10) 0.67467(6) 0.0134(3) Uani 1 1 d . . . . .
O2 O 0.39791(11) 0.74114(13) 0.47117(6) 0.0228(4) Uani 1 1 d . . . . .
O3 O 0.45080(12) 0.23709(13) 0.60952(6) 0.0242(4) Uani 1 1 d . . . . .
O4 O 0.41589(10) 0.74749(11) 0.71465(5) 0.0150(3) Uani 1 1 d . . . . .
O6 O 0.52948(10) 0.70493(11) 0.52104(5) 0.0150(3) Uani 1 1 d . . . . .
O7 O 0.40005(11) 0.54200(13) 0.61317(8) 0.0289(4) Uani 1 1 d . . . . .
O8 O 0.59442(10) -0.02825(11) 0.78385(5) 0.0152(3) Uani 1 1 d . . . . .
O10 O 0.51796(11) 0.45449(12) 0.58148(6) 0.0197(3) Uani 1 1 d . . . . .
O11 O 0.40126(11) 0.25383(12) 0.69391(6) 0.0210(3) Uani 1 1 d . . . . .
N1 N 0.59086(12) 0.76740(13) 0.66317(6) 0.0123(4) Uani 1 1 d . . . . .
N2 N 0.38247(12) 0.77092(13) 0.66331(7) 0.0134(4) Uani 1 1 d . . . . .
N3 N 0.30413(12) 0.37431(14) 0.53430(7) 0.0145(4) Uani 1 1 d . . . . .
N4 N 0.60661(12) 0.03839(13) 0.74352(7) 0.0131(4) Uani 1 1 d . . . . .
C1 C 0.53805(14) 0.10568(15) 0.73072(8) 0.0114(4) Uani 1 1 d . . . . .
C2 C 0.68488(15) 0.03403(17) 0.71610(9) 0.0164(4) Uani 1 1 d . . . . .
H2 H 0.734477 -0.009645 0.728289 0.020 Uiso 1 1 calc R U . . .
C3 C 0.67957(15) 0.73907(17) 0.67787(8) 0.0150(4) Uani 1 1 d . . . . .
H3 H 0.722437 0.785863 0.694983 0.018 Uiso 1 1 calc R U . . .
C4 C 0.39858(14) 0.76745(16) 0.56683(8) 0.0127(4) Uani 1 1 d . . . . .
C5 C 0.02838(15) 0.47565(17) 0.48435(9) 0.0167(4) Uani 1 1 d . . . . .
H5 H 0.006637 0.463777 0.447001 0.020 Uiso 1 1 calc R U . . .
C6 C 0.52774(14) 0.70327(16) 0.63732(8) 0.0121(4) Uani 1 1 d . . . . .
C7 C 0.45672(15) 0.22467(16) 0.66157(8) 0.0160(4) Uani 1 1 d . . . . .
C8 C 0.55388(15) 0.60450(16) 0.62880(8) 0.0135(4) Uani 1 1 d . . . . .
C9 C 0.18394(16) 0.41248(18) 0.46375(9) 0.0189(5) Uani 1 1 d . . . . .
H9 H 0.164898 0.416502 0.425505 0.023 Uiso 1 1 calc R U . . .
C10 C 0.43459(14) 0.74736(15) 0.62069(8) 0.0122(4) Uani 1 1 d . . . . .
C11 C 0.69192(15) 0.09342(17) 0.67043(9) 0.0178(5) Uani 1 1 d . . . . .
H11 H 0.747538 0.093125 0.651753 0.021 Uiso 1 1 calc R U . . .
C12 C 0.31186(15) 0.81331(16) 0.55872(9) 0.0155(4) Uani 1 1 d . . . . .
H12 H 0.286878 0.828389 0.522319 0.019 Uiso 1 1 calc R U . . .
C13 C 0.29800(15) 0.81492(17) 0.65565(9) 0.0164(4) Uani 1 1 d . . . . .
H13 H 0.263850 0.830444 0.686440 0.020 Uiso 1 1 calc R U . . .
C14 C 0.70807(15) 0.64316(17) 0.66821(8) 0.0172(5) Uani 1 1 d . . . . .
H14 H 0.770881 0.623780 0.677761 0.021 Uiso 1 1 calc R U . . .
C15 C 0.48246(15) 0.52855(16) 0.60566(8) 0.0154(4) Uani 1 1 d . . . . .
C16 C 0.26144(15) 0.83727(16) 0.60308(9) 0.0175(5) Uani 1 1 d . . . . .
H16 H 0.202216 0.868820 0.597302 0.021 Uiso 1 1 calc R U . . .
C17 C 0.64459(15) 0.57467(17) 0.64441(8) 0.0159(4) Uani 1 1 d . . . . .
H17 H 0.663172 0.507390 0.638801 0.019 Uiso 1 1 calc R U . . .
C18 C 0.24413(15) 0.39755(17) 0.57209(8) 0.0160(4) Uani 1 1 d . . . . .
H18 H 0.265077 0.392343 0.610027 0.019 Uiso 1 1 calc R U . . .
C19 C 0.27276(15) 0.38078(18) 0.48085(8) 0.0183(5) Uani 1 1 d . . . . .
H19 H 0.313667 0.362683 0.453656 0.022 Uiso 1 1 calc R U . . .
C20 C 0.44513(15) 0.73586(15) 0.51570(8) 0.0137(4) Uani 1 1 d . . . . .
C21 C 0.15402(15) 0.42845(17) 0.55851(8) 0.0160(4) Uani 1 1 d . . . . .
H21 H 0.113711 0.442792 0.586634 0.019 Uiso 1 1 calc R U . . .
C22 C 0.53959(15) 0.16154(16) 0.68256(8) 0.0140(4) Uani 1 1 d . . . . .
C23 C 0.61746(16) 0.15378(16) 0.65174(8) 0.0170(5) Uani 1 1 d . . . . .
H23 H 0.619340 0.189728 0.618125 0.020 Uiso 1 1 calc R U . . .
C24 C 0.12201(15) 0.43866(16) 0.50273(8) 0.0147(4) Uani 1 1 d . . . . .
O5 O 0.36343(13) 0.39907(14) 0.76901(8) 0.0323(4) Uani 1 1 d G . . . .
H5A H 0.375218 0.351513 0.746140 0.048 Uiso 1 1 d G U . . .
H5B H 0.405231 0.444651 0.764091 0.048 Uiso 1 1 d G U . . .
O9 O 0.500000 0.55412(19) 0.750000 0.0312(6) Uani 1 2 d GS T P . .
H9A H 0.519066 0.607252 0.768311 0.047 Uiso 0.5 1 d DG U P . .
H9B H 0.451192 0.574120 0.729478 0.047 Uiso 0.5 1 d G U P . .


_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 2.1161(14) 2_656 ?
Zn1 O1 2.1160(14) . ?
Zn1 O4 2.0938(15) 2_656 ?
Zn1 O4 2.0938(15) . ?
Zn1 O8 2.1161(15) 1_565 ?
Zn1 O8 2.1161(15) 2_666 ?
Zn2 O3 1.9469(16) . ?
Zn2 O6 2.0041(14) 5_666 ?
Zn2 O10 1.9452(16) . ?
Zn2 N3 2.0384(18) . ?
O1 N1 1.336(2) . ?
O2 C20 1.234(2) . ?
O3 C7 1.272(3) . ?
O4 N2 1.339(2) . ?
O6 C20 1.277(3) . ?
O7 C15 1.226(3) . ?
O8 N4 1.346(2) . ?
O10 C15 1.277(3) . ?
O11 C7 1.226(3) . ?
N1 C3 1.351(3) . ?
N1 C6 1.364(3) . ?
N2 C10 1.363(3) . ?
N2 C13 1.348(3) . ?
N3 C18 1.345(3) . ?
N3 C19 1.344(3) . ?
N4 C1 1.351(3) . ?
N4 C2 1.353(3) . ?
C1 C1 1.496(4) 2_656 ?
C1 C22 1.390(3) . ?
C2 H2 0.9500 . ?
C2 C11 1.375(3) . ?
C3 H3 0.9500 . ?
C3 C14 1.370(3) . ?
C4 C10 1.396(3) . ?
C4 C12 1.389(3) . ?
C4 C20 1.517(3) . ?
C5 C5 1.329(4) 5_566 ?
C5 H5 0.9500 . ?
C5 C24 1.469(3) . ?
C6 C8 1.391(3) . ?
C6 C10 1.489(3) . ?
C7 C22 1.514(3) . ?
C8 C15 1.519(3) . ?
C8 C17 1.387(3) . ?
C9 H9 0.9500 . ?
C9 C19 1.377(3) . ?
C9 C24 1.395(3) . ?
C11 H11 0.9500 . ?
C11 C23 1.387(3) . ?
C12 H12 0.9500 . ?
C12 C16 1.384(3) . ?
C13 H13 0.9500 . ?
C13 C16 1.376(3) . ?
C14 H14 0.9500 . ?
C14 C17 1.386(3) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C18 C21 1.374(3) . ?
C19 H19 0.9500 . ?
C21 H21 0.9500 . ?
C21 C24 1.404(3) . ?
C22 C23 1.399(3) . ?
C23 H23 0.9500 . ?
O5 H5A 0.8695 . ?
O5 H5B 0.8700 . ?
O9 H9A 0.8702 . ?
O9 H9A 0.87(4) 2_656 ?
O9 H9B 0.87(3) 2_656 ?
O9 H9B 0.8700 . ?

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 O1 178.71(8) . 2_656 ?
O1 Zn1 O8 91.95(5) 2_656 2_666 ?
O1 Zn1 O8 88.94(5) . 2_666 ?
O1 Zn1 O8 88.95(5) 2_656 1_565 ?
O1 Zn1 O8 91.95(5) . 1_565 ?
O4 Zn1 O1 85.06(5) . . ?
O4 Zn1 O1 93.99(5) . 2_656 ?
O4 Zn1 O1 85.06(5) 2_656 2_656 ?
O4 Zn1 O1 93.99(5) 2_656 . ?
O4 Zn1 O4 85.90(8) . 2_656 ?
O4 Zn1 O8 90.82(6) . 2_666 ?
O4 Zn1 O8 175.39(6) 2_656 2_666 ?
O4 Zn1 O8 90.82(6) 2_656 1_565 ?
O4 Zn1 O8 175.39(6) . 1_565 ?
O8 Zn1 O8 92.64(8) 1_565 2_666 ?
O3 Zn2 O6 113.35(7) . 5_666 ?
O3 Zn2 N3 109.04(7) . . ?
O6 Zn2 N3 96.92(6) 5_666 . ?
O10 Zn2 O3 108.08(7) . . ?
O10 Zn2 O6 113.76(6) . 5_666 ?
O10 Zn2 N3 115.45(7) . . ?
N1 O1 Zn1 110.06(11) . . ?
C7 O3 Zn2 141.26(15) . . ?
N2 O4 Zn1 111.39(11) . . ?
C20 O6 Zn2 105.88(12) . 5_666 ?
N4 O8 Zn1 106.83(11) . 1_545 ?
C15 O10 Zn2 121.28(14) . . ?
O1 N1 C3 118.96(17) . . ?
O1 N1 C6 119.34(17) . . ?
C3 N1 C6 121.70(18) . . ?
O4 N2 C10 118.49(17) . . ?
O4 N2 C13 118.91(17) . . ?
C13 N2 C10 122.59(18) . . ?
C18 N3 Zn2 123.32(14) . . ?
C19 N3 Zn2 118.97(14) . . ?
C19 N3 C18 117.49(18) . . ?
O8 N4 C1 118.22(16) . . ?
O8 N4 C2 119.45(17) . . ?
C1 N4 C2 122.29(18) . . ?
N4 C1 C1 114.29(16) . 2_656 ?
N4 C1 C22 119.41(18) . . ?
C22 C1 C1 126.10(19) . 2_656 ?
N4 C2 H2 120.3 . . ?
N4 C2 C11 119.4(2) . . ?
C11 C2 H2 120.3 . . ?
N1 C3 H3 119.8 . . ?
N1 C3 C14 120.3(2) . . ?
C14 C3 H3 119.8 . . ?
C10 C4 C20 124.10(19) . . ?
C12 C4 C10 118.69(19) . . ?
C12 C4 C20 117.06(18) . . ?
C5 C5 H5 117.3 5_566 . ?
C5 C5 C24 125.4(3) 5_566 . ?
C24 C5 H5 117.3 . . ?
N1 C6 C8 119.09(19) . . ?
N1 C6 C10 115.33(18) . . ?
C8 C6 C10 125.59(19) . . ?
O3 C7 C22 113.37(19) . . ?
O11 C7 O3 126.9(2) . . ?
O11 C7 C22 119.62(18) . . ?
C6 C8 C15 120.37(19) . . ?
C17 C8 C6 119.4(2) . . ?
C17 C8 C15 120.17(19) . . ?
C19 C9 H9 120.1 . . ?
C19 C9 C24 119.85(19) . . ?
C24 C9 H9 120.1 . . ?
N2 C10 C4 118.95(19) . . ?
N2 C10 C6 114.91(17) . . ?
C4 C10 C6 126.13(18) . . ?
C2 C11 H11 120.1 . . ?
C2 C11 C23 119.7(2) . . ?
C23 C11 H11 120.1 . . ?
C4 C12 H12 119.6 . . ?
C16 C12 C4 120.7(2) . . ?
C16 C12 H12 119.6 . . ?
N2 C13 H13 120.1 . . ?
N2 C13 C16 119.77(19) . . ?
C16 C13 H13 120.1 . . ?
C3 C14 H14 120.2 . . ?
C3 C14 C17 119.5(2) . . ?
C17 C14 H14 120.2 . . ?
O7 C15 O10 127.4(2) . . ?
O7 C15 C8 118.66(19) . . ?
O10 C15 C8 113.87(19) . . ?
C12 C16 H16 120.4 . . ?
C13 C16 C12 119.3(2) . . ?
C13 C16 H16 120.4 . . ?
C8 C17 H17 120.1 . . ?
C14 C17 C8 119.9(2) . . ?
C14 C17 H17 120.1 . . ?
N3 C18 H18 118.4 . . ?
N3 C18 C21 123.22(19) . . ?
C21 C18 H18 118.4 . . ?
N3 C19 C9 122.9(2) . . ?
N3 C19 H19 118.5 . . ?
C9 C19 H19 118.5 . . ?
O2 C20 O6 124.02(19) . . ?
O2 C20 C4 117.11(18) . . ?
O6 C20 C4 118.87(17) . . ?
C18 C21 H21 120.3 . . ?
C18 C21 C24 119.46(19) . . ?
C24 C21 H21 120.3 . . ?
C1 C22 C7 121.21(19) . . ?
C1 C22 C23 118.6(2) . . ?
C23 C22 C7 120.12(18) . . ?
C11 C23 C22 119.8(2) . . ?
C11 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C9 C24 C5 119.71(19) . . ?
C9 C24 C21 117.0(2) . . ?
C21 C24 C5 123.28(19) . . ?
H5A O5 H5B 104.6 . . ?
H9A O9 H9A 70.8 . 2_656 ?
H9A O9 H9B 41.4 . 2_656 ?
H9A O9 H9B 104.5 . . ?
H9A O9 H9B 104.5 2_656 2_656 ?
H9B O9 H9A 41.4 . 2_656 ?
H9B O9 H9B 144.3 . 2_656 ?

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 O1 N1 C3 -95.30(17) . . . . ?
Zn1 O1 N1 C6 84.24(17) . . . . ?
Zn1 O4 N2 C10 88.11(18) . . . . ?
Zn1 O4 N2 C13 -93.21(18) . . . . ?
Zn1 O8 N4 C1 76.22(17) 1_545 . . . ?
Zn1 O8 N4 C2 -101.66(17) 1_545 . . . ?
Zn2 O3 C7 O11 58.0(4) . . . . ?
Zn2 O3 C7 C22 -125.8(2) . . . . ?
Zn2 O6 C20 O2 -5.3(3) 5_666 . . . ?
Zn2 O6 C20 C4 174.05(15) 5_666 . . . ?
Zn2 O10 C15 O7 -2.7(3) . . . . ?
Zn2 O10 C15 C8 174.89(12) . . . . ?
Zn2 N3 C18 C21 173.51(17) . . . . ?
Zn2 N3 C19 C9 -172.81(18) . . . . ?
O1 N1 C3 C14 177.93(17) . . . . ?
O1 N1 C6 C8 -175.69(16) . . . . ?
O1 N1 C6 C10 4.1(2) . . . . ?
O3 C7 C22 C1 -152.7(2) . . . . ?
O3 C7 C22 C23 23.4(3) . . . . ?
O4 N2 C10 C4 177.21(17) . . . . ?
O4 N2 C10 C6 -4.0(3) . . . . ?
O4 N2 C13 C16 -178.37(19) . . . . ?
O8 N4 C1 C1 8.1(2) . . . 2_656 ?
O8 N4 C1 C22 -167.05(17) . . . . ?
O8 N4 C2 C11 171.71(18) . . . . ?
O11 C7 C22 C1 23.8(3) . . . . ?
O11 C7 C22 C23 -160.0(2) . . . . ?
N1 C3 C14 C17 -1.5(3) . . . . ?
N1 C6 C8 C15 173.55(17) . . . . ?
N1 C6 C8 C17 -3.0(3) . . . . ?
N1 C6 C10 N2 -69.3(2) . . . . ?
N1 C6 C10 C4 109.5(2) . . . . ?
N2 C13 C16 C12 0.6(3) . . . . ?
N3 C18 C21 C24 -1.3(3) . . . . ?
N4 C1 C22 C7 169.62(18) . . . . ?
N4 C1 C22 C23 -6.6(3) . . . . ?
N4 C2 C11 C23 -2.7(3) . . . . ?
C1 N4 C2 C11 -6.1(3) . . . . ?
C1 C1 C22 C7 -4.9(3) 2_656 . . . ?
C1 C1 C22 C23 178.87(18) 2_656 . . . ?
C1 C22 C23 C11 -1.8(3) . . . . ?
C2 N4 C1 C1 -174.06(18) . . . 2_656 ?
C2 N4 C1 C22 10.8(3) . . . . ?
C2 C11 C23 C22 6.4(3) . . . . ?
C3 N1 C6 C8 3.8(3) . . . . ?
C3 N1 C6 C10 -176.39(17) . . . . ?
C3 C14 C17 C8 2.3(3) . . . . ?
C4 C12 C16 C13 -0.2(3) . . . . ?
C5 C5 C24 C9 -163.3(3) 5_566 . . . ?
C5 C5 C24 C21 16.2(4) 5_566 . . . ?
C6 N1 C3 C14 -1.6(3) . . . . ?
C6 C8 C15 O7 -26.3(3) . . . . ?
C6 C8 C15 O10 155.91(18) . . . . ?
C6 C8 C17 C14 0.0(3) . . . . ?
C7 C22 C23 C11 -178.07(19) . . . . ?
C8 C6 C10 N2 110.5(2) . . . . ?
C8 C6 C10 C4 -70.8(3) . . . . ?
C10 N2 C13 C16 0.3(3) . . . . ?
C10 C4 C12 C16 -1.0(3) . . . . ?
C10 C4 C20 O2 166.5(2) . . . . ?
C10 C4 C20 O6 -13.0(3) . . . . ?
C10 C6 C8 C15 -6.2(3) . . . . ?
C10 C6 C8 C17 177.28(18) . . . . ?
C12 C4 C10 N2 1.7(3) . . . . ?
C12 C4 C10 C6 -177.0(2) . . . . ?
C12 C4 C20 O2 -9.2(3) . . . . ?
C12 C4 C20 O6 171.42(19) . . . . ?
C13 N2 C10 C4 -1.4(3) . . . . ?
C13 N2 C10 C6 177.42(19) . . . . ?
C15 C8 C17 C14 -176.57(18) . . . . ?
C17 C8 C15 O7 150.2(2) . . . . ?
C17 C8 C15 O10 -27.6(3) . . . . ?
C18 N3 C19 C9 1.9(3) . . . . ?
C18 C21 C24 C5 -177.1(2) . . . . ?
C18 C21 C24 C9 2.5(3) . . . . ?
C19 N3 C18 C21 -0.9(3) . . . . ?
C19 C9 C24 C5 178.0(2) . . . . ?
C19 C9 C24 C21 -1.6(3) . . . . ?
C20 C4 C10 N2 -173.82(18) . . . . ?
C20 C4 C10 C6 7.5(3) . . . . ?
C20 C4 C12 C16 174.90(19) . . . . ?
C24 C9 C19 N3 -0.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
