# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# 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. 
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data_DZU-109
_database_code_depnum_ccdc_archive 'CCDC 2404967'
loop_
_audit_author_name
_audit_author_address
'yong-zheng zhang'
;dezhou university
China
;
_audit_update_record             
;
2024-11-25 deposited with the CCDC.	2025-01-16 downloaded from the CCDC.
;
_audit_creation_date             2021-08-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(C232 H176 N56 O16 Zn12)'
_chemical_formula_sum            'C58 H44 N14 O4 Zn3'
_chemical_formula_weight         1197.18
_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 0.0033 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'

_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                   24.952(5)
_cell_length_b                   30.648(6)
_cell_length_c                   11.314(2)
_cell_angle_alpha                90
_cell_angle_beta                 107.520(4)
_cell_angle_gamma                90
_cell_volume                     8251(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1914
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.515
_cell_measurement_theta_min      1.329
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            gold
_exptl_crystal_density_diffrn    0.964
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1023
_diffrn_reflns_av_unetI/netI     0.1302
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            29131
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.515
_diffrn_reflns_theta_min         1.329
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4215
_reflns_number_total             9433
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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         0.286
_refine_diff_density_min         -0.327
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         9433
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1154
_refine_ls_R_factor_gt           0.0506
_refine_ls_restrained_S_all      0.927
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0300P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1200
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N5(H5), C18(H18), C17(H17), C3(H3), C27(H27), C12(H12), C6(H6), C26(H26),
 C1(H1), C10(H10), C7(H7), C21(H21), C15(H15), C13(H13), C23(H23), C24(H24),
 C20(H20), C4(H4), C9(H9)
2.b Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C)
;
_atom_sites_solution_hydrogens   geom
_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 0.000000 0.27190(2) 0.750000 0.04189(18) Uani 1 2 d S T P . .
Zn2 Zn 0.61627(2) 0.26404(2) 0.49786(4) 0.04456(15) Uani 1 1 d . . . . .
O2 O 0.72616(10) 0.24643(8) 0.6230(3) 0.0583(8) Uani 1 1 d . . . . .
O1 O 0.65130(10) 0.26454(9) 0.6765(3) 0.0684(8) Uani 1 1 d . . . . .
N1 N 0.07147(11) 0.30409(9) 0.8014(3) 0.0457(8) Uani 1 1 d . . . . .
N2 N 0.11623(11) 0.28786(8) 0.8942(3) 0.0437(8) Uani 1 1 d . . . . .
N5 N 0.30676(12) 0.68715(9) 0.6225(3) 0.0487(8) Uani 1 1 d . . . . .
H5 H 0.290650 0.710753 0.635070 0.058 Uiso 1 1 calc R . . . .
N3 N 0.53797(11) 0.28251(9) 0.4786(3) 0.0492(8) Uani 1 1 d . . . . .
N7 N 0.30891(12) 0.43244(9) 0.6225(3) 0.0528(9) Uani 1 1 d . . . . .
N6 N 0.35125(11) 0.68560(9) 0.5761(3) 0.0494(9) Uani 1 1 d . . . . .
N4 N 0.49400(11) 0.26726(9) 0.3850(3) 0.0497(8) Uani 1 1 d . . . . .
C11 C 0.31479(14) 0.47843(11) 0.6244(4) 0.0450(9) Uani 1 1 d . . . . .
C2 C 0.14902(13) 0.33881(11) 0.7919(4) 0.0412(9) Uani 1 1 d . . . . .
C18 C 0.29177(15) 0.64744(12) 0.6454(4) 0.0528(11) Uani 1 1 d . . . . .
H18 H 0.261874 0.640857 0.675434 0.063 Uiso 1 1 calc R . . . .
C19 C 0.34743(14) 0.40505(11) 0.5883(4) 0.0438(10) Uani 1 1 d . . . . .
C8 C 0.26806(15) 0.41198(11) 0.6674(4) 0.0458(10) Uani 1 1 d . . . . .
C16 C 0.32715(14) 0.61738(11) 0.6182(4) 0.0491(10) Uani 1 1 d . . . . .
C5 C 0.18893(14) 0.36562(11) 0.7500(4) 0.0454(10) Uani 1 1 d . . . . .
C14 C 0.32406(15) 0.56984(11) 0.6241(4) 0.0478(10) Uani 1 1 d . . . . .
C22 C 0.42162(14) 0.34765(12) 0.5250(4) 0.0476(10) Uani 1 1 d . . . . .
C17 C 0.36331(14) 0.64285(11) 0.5750(4) 0.0489(11) Uani 1 1 d . . . . .
H17 H 0.392383 0.631692 0.548383 0.059 Uiso 1 1 calc R . . . .
C3 C 0.16182(14) 0.30885(11) 0.8860(4) 0.0490(11) Uani 1 1 d . . . . .
H3 H 0.197972 0.303735 0.937939 0.059 Uiso 1 1 calc R . . . .
C27 C 0.51808(15) 0.31208(12) 0.5397(4) 0.0574(12) Uani 1 1 d . . . . .
H27 H 0.539969 0.327312 0.608386 0.069 Uiso 1 1 calc R . . . .
C12 C 0.33865(15) 0.49902(12) 0.5444(4) 0.0543(11) Uani 1 1 d . . . . .
H12 H 0.351590 0.482661 0.489364 0.065 Uiso 1 1 calc R . . . .
C6 C 0.24524(14) 0.35891(12) 0.8002(4) 0.0533(11) Uani 1 1 d . . . . .
H6 H 0.257710 0.338688 0.863886 0.064 Uiso 1 1 calc R . . . .
C25 C 0.46002(14) 0.31759(12) 0.4880(4) 0.0482(10) Uani 1 1 d . . . . .
C26 C 0.44841(14) 0.28848(12) 0.3928(4) 0.0536(11) Uani 1 1 d . . . . .
H26 H 0.412531 0.283839 0.338917 0.064 Uiso 1 1 calc R . . . .
C1 C 0.09152(14) 0.33410(11) 0.7415(4) 0.0517(11) Uani 1 1 d . . . . .
H1 H 0.069671 0.349968 0.674083 0.062 Uiso 1 1 calc R . . . .
C10 C 0.29576(15) 0.50373(12) 0.7051(4) 0.0562(11) Uani 1 1 d . . . . .
H10 H 0.279763 0.490507 0.760352 0.067 Uiso 1 1 calc R . . . .
C7 C 0.28449(14) 0.38140(12) 0.7590(4) 0.0553(11) Uani 1 1 d . . . . .
H7 H 0.322540 0.375539 0.794217 0.066 Uiso 1 1 calc R . . . .
C21 C 0.36440(15) 0.34146(13) 0.4810(4) 0.0602(12) Uani 1 1 d . . . . .
H21 H 0.350177 0.317880 0.429323 0.072 Uiso 1 1 calc R . . . .
C15 C 0.30060(16) 0.54879(12) 0.7033(4) 0.0598(12) Uani 1 1 d . . . . .
H15 H 0.287477 0.565304 0.757810 0.072 Uiso 1 1 calc R . . . .
C13 C 0.34344(16) 0.54436(12) 0.5459(4) 0.0569(11) Uani 1 1 d . . . . .
H13 H 0.360255 0.557728 0.492258 0.068 Uiso 1 1 calc R . . . .
C29 C 0.70303(18) 0.25509(13) 0.7008(4) 0.0577(11) Uani 1 1 d . . . . .
C23 C 0.44093(15) 0.38357(12) 0.5996(4) 0.0612(12) Uani 1 1 d . . . . .
H23 H 0.479366 0.388967 0.628014 0.073 Uiso 1 1 calc R . . . .
C24 C 0.40463(16) 0.41169(12) 0.6330(4) 0.0602(12) Uani 1 1 d . . . . .
H24 H 0.418798 0.435050 0.685557 0.072 Uiso 1 1 calc R . . . .
C20 C 0.32742(15) 0.37004(12) 0.5127(4) 0.0622(12) Uani 1 1 d . . . . .
H20 H 0.288888 0.365274 0.482280 0.075 Uiso 1 1 calc R . . . .
C4 C 0.17325(16) 0.39726(13) 0.6607(4) 0.0717(14) Uani 1 1 d . . . . .
H4 H 0.135214 0.403379 0.626398 0.086 Uiso 1 1 calc R . . . .
C9 C 0.21152(16) 0.42037(13) 0.6196(4) 0.0742(15) Uani 1 1 d . . . . .
H9 H 0.199052 0.441744 0.559187 0.089 Uiso 1 1 calc R . . . .
C28 C 0.7367(2) 0.25486(18) 0.8360(5) 0.115(2) Uani 1 1 d . . . . .
H28A H 0.736646 0.226022 0.869008 0.173 Uiso 1 1 calc GR . . . .
H28B H 0.720350 0.274897 0.880448 0.173 Uiso 1 1 calc GR . . . .
H28C H 0.774701 0.263523 0.844532 0.173 Uiso 1 1 calc GR . . . .


_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 N1 1.967(3) . ?
Zn1 N1 1.967(3) 2_556 ?
Zn1 N4 1.984(3) 7_556 ?
Zn1 N4 1.984(3) 8_456 ?
Zn2 O1 1.945(3) . ?
Zn2 N2 1.976(3) 8 ?
Zn2 N3 1.982(3) . ?
Zn2 N6 2.037(3) 5_666 ?
O2 C29 1.218(5) . ?
O1 C29 1.269(4) . ?
N1 N2 1.375(4) . ?
N1 C1 1.327(4) . ?
N2 C3 1.334(4) . ?
N5 N6 1.364(4) . ?
N5 C18 1.322(4) . ?
N3 N4 1.357(4) . ?
N3 C27 1.324(4) . ?
N7 C11 1.417(4) . ?
N7 C19 1.415(4) . ?
N7 C8 1.415(4) . ?
N6 C17 1.345(4) . ?
N4 C26 1.336(4) . ?
C11 C12 1.377(5) . ?
C11 C10 1.386(5) . ?
C2 C5 1.475(5) . ?
C2 C3 1.369(5) . ?
C2 C1 1.383(4) . ?
C18 C16 1.374(5) . ?
C19 C24 1.378(5) . ?
C19 C20 1.369(5) . ?
C8 C7 1.365(5) . ?
C8 C9 1.375(5) . ?
C16 C14 1.462(5) . ?
C16 C17 1.389(5) . ?
C5 C6 1.363(4) . ?
C5 C4 1.370(5) . ?
C14 C15 1.371(5) . ?
C14 C13 1.373(5) . ?
C22 C25 1.478(5) . ?
C22 C21 1.376(5) . ?
C22 C23 1.382(5) . ?
C27 C25 1.400(4) . ?
C12 C13 1.394(4) . ?
C6 C7 1.388(5) . ?
C25 C26 1.361(5) . ?
C10 C15 1.387(5) . ?
C21 C20 1.395(5) . ?
C29 C28 1.508(6) . ?
C23 C24 1.383(5) . ?
C4 C9 1.377(5) . ?

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
N1 Zn1 N1 119.78(16) . 2_556 ?
N1 Zn1 N4 110.35(12) . 8_456 ?
N1 Zn1 N4 105.02(12) . 7_556 ?
N1 Zn1 N4 110.35(12) 2_556 7_556 ?
N1 Zn1 N4 105.02(12) 2_556 8_456 ?
N4 Zn1 N4 105.54(18) 7_556 8_456 ?
O1 Zn2 N2 122.87(12) . 8 ?
O1 Zn2 N3 103.41(12) . . ?
O1 Zn2 N6 108.13(12) . 5_666 ?
N2 Zn2 N3 109.88(12) 8 . ?
N2 Zn2 N6 107.16(13) 8 5_666 ?
N3 Zn2 N6 103.85(12) . 5_666 ?
C29 O1 Zn2 109.4(3) . . ?
N2 N1 Zn1 120.0(2) . . ?
C1 N1 Zn1 130.2(3) . . ?
C1 N1 N2 107.2(3) . . ?
N1 N2 Zn2 126.8(2) . 8_456 ?
C3 N2 Zn2 125.5(2) . 8_456 ?
C3 N2 N1 106.6(3) . . ?
C18 N5 N6 110.8(3) . . ?
N4 N3 Zn2 121.7(2) . . ?
C27 N3 Zn2 130.5(3) . . ?
C27 N3 N4 107.5(3) . . ?
C19 N7 C11 121.2(3) . . ?
C19 N7 C8 117.2(3) . . ?
C8 N7 C11 121.2(3) . . ?
N5 N6 Zn2 127.0(2) . 5_666 ?
C17 N6 Zn2 128.0(3) . 5_666 ?
C17 N6 N5 104.4(3) . . ?
N3 N4 Zn1 125.3(2) . 7_556 ?
C26 N4 Zn1 127.5(3) . 7_556 ?
C26 N4 N3 106.6(3) . . ?
C12 C11 N7 120.6(3) . . ?
C12 C11 C10 118.6(3) . . ?
C10 C11 N7 120.8(3) . . ?
C3 C2 C5 127.0(3) . . ?
C3 C2 C1 102.8(3) . . ?
C1 C2 C5 130.0(3) . . ?
N5 C18 C16 109.5(3) . . ?
C24 C19 N7 121.7(3) . . ?
C20 C19 N7 119.0(3) . . ?
C20 C19 C24 119.2(3) . . ?
C7 C8 N7 119.5(3) . . ?
C7 C8 C9 117.7(3) . . ?
C9 C8 N7 122.7(4) . . ?
C18 C16 C14 127.7(4) . . ?
C18 C16 C17 103.4(3) . . ?
C17 C16 C14 128.7(4) . . ?
C6 C5 C2 119.5(3) . . ?
C6 C5 C4 116.4(3) . . ?
C4 C5 C2 124.1(3) . . ?
C15 C14 C16 122.5(4) . . ?
C15 C14 C13 117.2(3) . . ?
C13 C14 C16 120.3(4) . . ?
C21 C22 C25 120.1(3) . . ?
C21 C22 C23 117.6(3) . . ?
C23 C22 C25 122.2(3) . . ?
N6 C17 C16 111.9(3) . . ?
N2 C3 C2 111.9(3) . . ?
N3 C27 C25 111.6(3) . . ?
C11 C12 C13 120.1(4) . . ?
C5 C6 C7 121.9(4) . . ?
C27 C25 C22 129.4(4) . . ?
C26 C25 C22 129.1(3) . . ?
C26 C25 C27 101.4(3) . . ?
N4 C26 C25 112.9(3) . . ?
N1 C1 C2 111.5(3) . . ?
C11 C10 C15 119.9(4) . . ?
C8 C7 C6 121.0(3) . . ?
C22 C21 C20 121.0(4) . . ?
C14 C15 C10 122.3(4) . . ?
C14 C13 C12 121.9(4) . . ?
O2 C29 O1 124.4(4) . . ?
O2 C29 C28 119.4(4) . . ?
O1 C29 C28 116.2(5) . . ?
C22 C23 C24 121.8(3) . . ?
C19 C24 C23 119.9(4) . . ?
C19 C20 C21 120.5(4) . . ?
C5 C4 C9 122.7(4) . . ?
C8 C9 C4 120.3(4) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 -0.339 402.7 144.6 ?
2 0.000 0.500 -0.627 1517.8 180.0 ?
3 0.500 0.000 -0.498 1517.8 180.0 ?
4 0.500 0.500 -0.769 402.7 144.6 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_DZU-110
_database_code_depnum_ccdc_archive 'CCDC 2404968'
loop_
_audit_author_name
_audit_author_address
'yong-zheng zhang'
;dezhou university
China
;
_audit_update_record             
;
2024-11-25 deposited with the CCDC.	2025-01-16 downloaded from the CCDC.
;
_audit_creation_date             2024-11-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(C432 H272 N112 O12 Zn28)'
_chemical_formula_sum            'C108 H68 N28 O3 Zn7'
_chemical_formula_weight         2263.49
_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 0.0033 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'

_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                   37.767(3)
_cell_length_b                   15.9977(13)
_cell_length_c                   32.703(3)
_cell_angle_alpha                90
_cell_angle_beta                 111.374(5)
_cell_angle_gamma                90
_cell_volume                     18400(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9950
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.05
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.934
_exptl_absorpt_correction_T_max  0.3334
_exptl_absorpt_correction_T_min  0.2750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0791 before and 0.0439 after correction.
The Ratio of minimum to maximum transmission is 0.8248.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            gold
_exptl_crystal_density_diffrn    0.817
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4584
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0822
_diffrn_reflns_av_unetI/netI     0.0818
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            82187
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_min         2.059
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10449
_reflns_number_total             21048
_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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 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         0.696
_refine_diff_density_min         -1.089
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     659
_refine_ls_number_reflns         21048
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.1127
_refine_ls_R_factor_gt           0.0674
_refine_ls_restrained_S_all      0.988
_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)+(0.1269P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2037
_refine_ls_wR_factor_ref         0.2305
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 Zn4-O6
 2.2 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(O6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
4.a Aromatic/amide H refined with riding coordinates:
 C16(H16), C18(H18), C54(H54), C53(H53), C44(H44), C27(H27), C45(H45),
 C28(H28), C5(H5), C15(H15), C30(H30), C14(H14), C26(H26), C6(H6), C11(H11),
 C50(H50), C20(H20), C12(H12), C51(H51), C39(H39), C23(H23), C42(H42), C21(H21),
  C32(H32), C38(H38), C35(H35), C41(H41), C47(H47), C36(H36), C24(H24), C8(H8),
 C48(H48), C9(H9), C33(H33)
;
_atom_sites_solution_hydrogens   geom
_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
Zn3 Zn 1.03749(2) 0.14366(3) -0.20373(2) 0.04953(15) Uani 1 1 d . . . . .
Zn2 Zn 0.87025(2) -0.16073(3) 0.12870(2) 0.04987(15) Uani 1 1 d . . . . .
Zn1 Zn 0.71476(2) 0.73647(4) -0.05223(2) 0.05976(18) Uani 1 1 d . . . . .
O1 O 1.000000 0.0864(3) -0.250000 0.0596(11) Uani 1 2 d S T P . .
N7 N 0.61490(10) 0.3083(2) 0.30908(11) 0.0518(9) Uani 1 1 d . . . . .
N2 N 0.74563(11) 0.6799(3) 0.04068(13) 0.0628(11) Uani 1 1 d . . . . .
N8 N 0.57938(9) 0.3165(2) 0.27907(12) 0.0532(9) Uani 1 1 d . . . . .
N9 N 0.86805(10) 0.7378(2) 0.09241(12) 0.0543(9) Uani 1 1 d . . . . .
N5 N 1.01537(10) 0.2327(2) -0.17903(12) 0.0563(10) Uani 1 1 d . . . . .
N3 N 0.81947(10) -0.1099(3) 0.11248(12) 0.0609(10) Uani 1 1 d . . . . .
N00C N 0.94096(10) -0.0653(2) 0.15373(12) 0.0566(10) Uani 1 1 d . . . . .
N10 N 0.83510(10) 0.7074(2) 0.06423(12) 0.0605(10) Uani 1 1 d . . . . .
N00E N 0.90496(10) -0.0721(2) 0.12387(12) 0.0551(9) Uani 1 1 d . . . . .
N6 N 1.00325(12) 0.3116(3) -0.19535(14) 0.0639(10) Uani 1 1 d . . . . .
N1 N 0.72378(11) 0.6608(3) -0.00061(13) 0.0646(11) Uani 1 1 d . . . . .
N4 N 0.78773(11) -0.1552(2) 0.09808(14) 0.0633(11) Uani 1 1 d . . . . .
C17 C 0.61769(12) 0.2845(3) 0.24232(15) 0.0547(11) Uani 1 1 d . . . . .
N11 N 0.67674(12) 0.2551(3) 0.10569(15) 0.0721(12) Uani 1 1 d . . . . .
C52 C 0.99392(13) 0.2940(3) -0.12953(16) 0.0584(12) Uani 1 1 d . . . . .
N12 N 0.95431(14) 0.3371(2) 0.02157(16) 0.0759(13) Uani 1 1 d . . . . .
C16 C 0.58113(12) 0.3026(3) 0.23893(15) 0.0588(12) Uani 1 1 d . . . . .
H16 H 0.560369 0.305067 0.212623 0.071 Uiso 1 1 calc R . . . .
C43 C 0.88083(14) 0.6200(3) 0.06193(15) 0.0593(12) Uani 1 1 d . . . . .
C18 C 0.63756(12) 0.2907(3) 0.28700(15) 0.0570(12) Uani 1 1 d . . . . .
H18 H 0.663718 0.283484 0.300181 0.068 Uiso 1 1 calc R . . . .
C13 C 0.63282(12) 0.2732(3) 0.20726(15) 0.0575(12) Uani 1 1 d . . . . .
C29 C 0.93154(12) 0.0414(3) 0.10648(15) 0.0573(11) Uani 1 1 d . . . . .
C54 C 1.00833(12) 0.2226(3) -0.14116(16) 0.0615(12) Uani 1 1 d . . . . .
H54 H 1.012762 0.173176 -0.125096 0.074 Uiso 1 1 calc R . . . .
C40 C 0.90050(14) 0.5496(3) 0.05074(17) 0.0626(12) Uani 1 1 d . . . . .
C31 C 0.93716(14) 0.1191(3) 0.08462(15) 0.0570(11) Uani 1 1 d . . . . .
C53 C 0.99044(15) 0.3484(3) -0.16424(18) 0.0713(14) Uani 1 1 d . . . . .
H53 H 0.980803 0.402401 -0.166476 0.086 Uiso 1 1 calc R . . . .
C44 C 0.84281(14) 0.6378(3) 0.04603(16) 0.0622(13) Uani 1 1 d . . . . .
H44 H 0.824502 0.605685 0.025135 0.075 Uiso 1 1 calc R . . . .
C2 C 0.71600(13) 0.5596(3) 0.04211(17) 0.0649(13) Uani 1 1 d . . . . .
C3 C 0.74107(15) 0.6194(4) 0.06697(18) 0.0748(15) Uani 1 1 d . . . . .
C27 C 0.80888(13) -0.0303(3) 0.11881(16) 0.0659(13) Uani 1 1 d . . . . .
H27 H 0.825469 0.014432 0.129246 0.079 Uiso 1 1 calc R . . . .
C7 C 0.68503(13) 0.3324(3) 0.09004(17) 0.0628(13) Uani 1 1 d . . . . .
C45 C 0.89579(13) 0.6843(3) 0.09081(17) 0.0648(13) Uani 1 1 d . . . . .
H45 H 0.921550 0.690686 0.107253 0.078 Uiso 1 1 calc R . . . .
C28 C 0.89997(13) -0.0082(3) 0.09602(16) 0.0620(13) Uani 1 1 d . . . . .
H28 H 0.877580 0.001488 0.072231 0.074 Uiso 1 1 calc R . . . .
C5 C 0.69302(15) 0.4129(3) 0.03187(17) 0.0715(14) Uani 1 1 d . . . . .
H5 H 0.691512 0.416058 0.002882 0.086 Uiso 1 1 calc R . . . .
C4 C 0.70430(13) 0.4810(3) 0.05809(17) 0.0658(13) Uani 1 1 d . . . . .
C10 C 0.66188(14) 0.2580(3) 0.14009(17) 0.0654(13) Uani 1 1 d . . . . .
C25 C 0.76947(14) -0.0265(4) 0.10723(17) 0.0698(14) Uani 1 1 d . . . . .
C37 C 0.93641(16) 0.4120(3) 0.03047(19) 0.0681(14) Uani 1 1 d . . . . .
C15 C 0.68240(14) 0.2320(3) 0.18260(17) 0.0718(15) Uani 1 1 d . . . . .
H15 H 0.706356 0.208729 0.188760 0.086 Uiso 1 1 calc R . . . .
C30 C 0.95588(13) 0.0030(3) 0.14263(16) 0.0643(13) Uani 1 1 d . . . . .
H30 H 0.980403 0.021947 0.158146 0.077 Uiso 1 1 calc R . . . .
C46 C 0.96290(16) 0.3289(3) -0.01679(19) 0.0736(15) Uani 1 1 d . . . . .
C49 C 0.98315(14) 0.3072(3) -0.09202(17) 0.0687(14) Uani 1 1 d . . . . .
C1 C 0.70515(15) 0.5859(3) -0.00059(18) 0.0742(15) Uani 1 1 d . . . . .
C22 C 0.74606(14) 0.0477(3) 0.10795(16) 0.0649(13) Uani 1 1 d . . . . .
C14 C 0.66863(14) 0.2394(4) 0.21603(17) 0.0751(16) Uani 1 1 d . . . . .
H14 H 0.683224 0.221807 0.244276 0.090 Uiso 1 1 calc R . . . .
C34 C 0.94851(16) 0.2631(3) 0.04415(19) 0.0678(14) Uani 1 1 d . . . . .
C19 C 0.70050(14) 0.1847(3) 0.10580(17) 0.0666(13) Uani 1 1 d . . . . .
C26 C 0.75801(14) -0.1072(3) 0.09534(18) 0.0688(14) Uani 1 1 d . . . . .
H26 H 0.733017 -0.125831 0.086582 0.083 Uiso 1 1 calc R . . . .
C6 C 0.68360(15) 0.3378(4) 0.04747(18) 0.0741(15) Uani 1 1 d . . . . .
H6 H 0.676378 0.291539 0.029049 0.089 Uiso 1 1 calc R . . . .
C11 C 0.62586(15) 0.2886(4) 0.13061(18) 0.0860(19) Uani 1 1 d . . . . .
H11 H 0.611196 0.305080 0.102188 0.103 Uiso 1 1 calc R . . . .
C50 C 0.97721(18) 0.2395(3) -0.06886(19) 0.0841(17) Uani 1 1 d . . . . .
H50 H 0.980148 0.185633 -0.077883 0.101 Uiso 1 1 calc R . . . .
C20 C 0.68707(15) 0.1060(4) 0.1044(2) 0.0794(16) Uani 1 1 d . . . . .
H20 H 0.662382 0.098253 0.103476 0.095 Uiso 1 1 calc R . . . .
C12 C 0.61146(15) 0.2946(4) 0.16438(18) 0.0879(19) Uani 1 1 d . . . . .
H12 H 0.586710 0.313560 0.157725 0.105 Uiso 1 1 calc R . . . .
C51 C 0.96683(18) 0.2503(3) -0.03205(19) 0.0851(17) Uani 1 1 d . . . . .
H51 H 0.962525 0.203496 -0.017659 0.102 Uiso 1 1 calc R . . . .
C39 C 0.88869(17) 0.5137(4) 0.0104(2) 0.101(2) Uani 1 1 d . . . . .
H39 H 0.867419 0.535990 -0.011519 0.121 Uiso 1 1 calc R . . . .
C23 C 0.76075(15) 0.1273(4) 0.1106(2) 0.0847(18) Uani 1 1 d . . . . .
H23 H 0.785862 0.135016 0.113040 0.102 Uiso 1 1 calc R . . . .
C42 C 0.94943(17) 0.4424(4) 0.0725(2) 0.0853(17) Uani 1 1 d . . . . .
H42 H 0.969970 0.417281 0.094203 0.102 Uiso 1 1 calc R . . . .
C21 C 0.70847(14) 0.0383(4) 0.10438(19) 0.0804(16) Uani 1 1 d . . . . .
H21 H 0.697962 -0.014857 0.101938 0.096 Uiso 1 1 calc R . . . .
C32 C 0.90845(18) 0.1633(4) 0.0602(2) 0.104(2) Uani 1 1 d . . . . .
H32 H 0.883784 0.147141 0.056351 0.125 Uiso 1 1 calc R . . . .
C38 C 0.90602(19) 0.4478(4) 0.0002(2) 0.097(2) Uani 1 1 d . . . . .
H38 H 0.896771 0.426752 -0.028255 0.117 Uiso 1 1 calc R . . . .
C35 C 0.97892(17) 0.2147(4) 0.0701(2) 0.095(2) Uani 1 1 d . . . . .
H35 H 1.003635 0.231051 0.074318 0.114 Uiso 1 1 calc R . . . .
C41 C 0.93193(16) 0.5097(4) 0.0821(2) 0.0880(18) Uani 1 1 d . . . . .
H41 H 0.941117 0.530264 0.110673 0.106 Uiso 1 1 calc R . . . .
C47 C 0.9719(2) 0.3956(4) -0.0361(2) 0.108(2) Uani 1 1 d . . . . .
H47 H 0.972013 0.448701 -0.024505 0.130 Uiso 1 1 calc R . . . .
C36 C 0.97302(18) 0.1450(4) 0.0891(2) 0.096(2) Uani 1 1 d . . . . .
H36 H 0.993815 0.113063 0.105895 0.116 Uiso 1 1 calc R . . . .
C24 C 0.73807(15) 0.1954(4) 0.1095(2) 0.0822(17) Uani 1 1 d . . . . .
H24 H 0.747992 0.249009 0.111184 0.099 Uiso 1 1 calc R . . . .
C8 C 0.69465(19) 0.4020(4) 0.1166(2) 0.097(2) Uani 1 1 d . . . . .
H8 H 0.694789 0.399728 0.145062 0.116 Uiso 1 1 calc R . . . .
C48 C 0.9814(2) 0.3853(4) -0.0743(2) 0.105(2) Uani 1 1 d . . . . .
H48 H 0.986470 0.432506 -0.087829 0.126 Uiso 1 1 calc R . . . .
C9 C 0.70425(18) 0.4764(4) 0.1004(2) 0.0924(18) Uani 1 1 d . . . . .
H9 H 0.710683 0.523355 0.118356 0.111 Uiso 1 1 calc R . . . .
C33 C 0.91491(18) 0.2361(4) 0.0394(2) 0.106(2) Uani 1 1 d . . . . .
H33 H 0.893952 0.266147 0.021356 0.127 Uiso 1 1 calc R . . . .
O6 O 0.9350(2) 0.3971(8) -0.2761(3) 0.309(5) Uani 1 1 d D U . . .
Zn4 Zn 1.000000 0.36448(6) -0.250000 0.1005(4) Uani 1 2 d DS T 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
Zn3 O1 1.890(2) . ?
Zn3 N8 1.968(4) 8 ?
Zn3 N5 1.968(4) . ?
Zn3 N00C 1.984(4) 5_755 ?
Zn2 N7 1.967(4) 4_645 ?
Zn2 N9 1.994(4) 1_545 ?
Zn2 N3 1.970(4) . ?
Zn2 N00E 1.975(4) . ?
Zn1 N2 1.938(4) 7_665 ?
Zn1 N10 1.992(4) 7_665 ?
Zn1 N1 2.003(4) . ?
Zn1 N4 1.961(4) 7_655 ?
N7 N8 1.349(4) . ?
N7 C18 1.335(6) . ?
N2 N1 1.337(5) . ?
N2 C3 1.347(7) . ?
N8 C16 1.356(5) . ?
N9 N10 1.342(5) . ?
N9 C45 1.369(6) . ?
N5 N6 1.382(5) . ?
N5 C54 1.368(6) . ?
N3 N4 1.332(5) . ?
N3 C27 1.373(6) . ?
N00C N00E 1.359(4) . ?
N00C C30 1.338(6) . ?
N10 C44 1.343(6) . ?
N00E C28 1.337(5) . ?
N6 C53 1.405(6) . ?
N6 Zn4 1.940(4) . ?
N1 C1 1.389(6) . ?
N4 C26 1.336(6) . ?
C17 C16 1.375(6) . ?
C17 C18 1.381(6) . ?
C17 C13 1.467(6) . ?
N11 C7 1.417(6) . ?
N11 C10 1.430(6) . ?
N11 C19 1.439(6) . ?
C52 C54 1.377(6) . ?
C52 C53 1.397(7) . ?
C52 C49 1.442(6) . ?
N12 C37 1.456(6) . ?
N12 C46 1.411(6) . ?
N12 C34 1.454(6) . ?
C43 C40 1.467(7) . ?
C43 C44 1.367(6) . ?
C43 C45 1.371(6) . ?
C13 C14 1.386(6) . ?
C13 C12 1.382(6) . ?
C29 C31 1.487(6) . ?
C29 C28 1.368(6) . ?
C29 C30 1.352(6) . ?
C40 C39 1.358(7) . ?
C40 C41 1.408(7) . ?
C31 C32 1.297(7) . ?
C31 C36 1.372(7) . ?
C2 C3 1.383(7) . ?
C2 C4 1.489(7) . ?
C2 C1 1.370(7) . ?
C27 C25 1.397(6) . ?
C7 C6 1.376(7) . ?
C7 C8 1.377(8) . ?
C5 C4 1.356(7) . ?
C5 C6 1.401(7) . ?
C4 C9 1.386(7) . ?
C10 C15 1.386(7) . ?
C10 C11 1.371(6) . ?
C25 C22 1.485(7) . ?
C25 C26 1.372(7) . ?
C37 C42 1.370(7) . ?
C37 C38 1.341(8) . ?
C15 C14 1.376(7) . ?
C46 C51 1.381(7) . ?
C46 C47 1.345(7) . ?
C49 C50 1.387(7) . ?
C49 C48 1.388(7) . ?
C22 C23 1.379(7) . ?
C22 C21 1.389(6) . ?
C34 C35 1.389(8) . ?
C34 C33 1.295(7) . ?
C19 C20 1.351(7) . ?
C19 C24 1.390(7) . ?
C11 C12 1.401(7) . ?
C50 C51 1.406(7) . ?
C20 C21 1.352(7) . ?
C39 C38 1.345(8) . ?
C23 C24 1.378(7) . ?
C42 C41 1.358(7) . ?
C32 C33 1.415(8) . ?
C35 C36 1.334(8) . ?
C47 C48 1.429(8) . ?
C8 C9 1.402(8) . ?
O6 Zn4 2.347(8) . ?

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 Zn3 N8 111.94(11) . 8 ?
O1 Zn3 N5 111.92(13) . . ?
O1 Zn3 N00C 108.44(16) . 5_755 ?
N8 Zn3 N00C 108.00(15) 8 5_755 ?
N5 Zn3 N8 112.88(16) . 8 ?
N5 Zn3 N00C 103.12(16) . 5_755 ?
N7 Zn2 N9 110.18(16) 4_645 1_545 ?
N7 Zn2 N3 105.39(16) 4_645 . ?
N7 Zn2 N00E 108.43(15) 4_645 . ?
N3 Zn2 N9 110.52(16) . 1_545 ?
N3 Zn2 N00E 106.94(16) . . ?
N00E Zn2 N9 114.90(16) . 1_545 ?
N2 Zn1 N10 109.53(17) 7_665 7_665 ?
N2 Zn1 N1 111.76(15) 7_665 . ?
N2 Zn1 N4 115.13(18) 7_665 7_655 ?
N10 Zn1 N1 107.29(17) 7_665 . ?
N4 Zn1 N10 111.71(16) 7_655 7_665 ?
N4 Zn1 N1 100.93(17) 7_655 . ?
Zn3 O1 Zn3 122.0(2) . 2_754 ?
N8 N7 Zn2 124.1(3) . 4_655 ?
C18 N7 Zn2 128.0(3) . 4_655 ?
C18 N7 N8 106.9(4) . . ?
N1 N2 Zn1 120.2(3) . 7_665 ?
N1 N2 C3 107.7(4) . . ?
C3 N2 Zn1 129.8(3) . 7_665 ?
N7 N8 Zn3 120.9(3) . 8_456 ?
N7 N8 C16 107.6(3) . . ?
C16 N8 Zn3 131.1(3) . 8_456 ?
N10 N9 Zn2 122.1(3) . 1_565 ?
N10 N9 C45 106.1(4) . . ?
C45 N9 Zn2 131.7(3) . 1_565 ?
N6 N5 Zn3 129.3(3) . . ?
C54 N5 Zn3 122.6(3) . . ?
C54 N5 N6 108.1(4) . . ?
N4 N3 Zn2 122.2(3) . . ?
N4 N3 C27 106.5(4) . . ?
C27 N3 Zn2 130.6(3) . . ?
N00E N00C Zn3 122.9(3) . 5_755 ?
C30 N00C Zn3 130.7(3) . 5_755 ?
C30 N00C N00E 106.3(4) . . ?
N9 N10 Zn1 123.0(3) . 7_665 ?
N9 N10 C44 108.0(4) . . ?
C44 N10 Zn1 128.9(3) . 7_665 ?
N00C N00E Zn2 121.3(3) . . ?
C28 N00E Zn2 132.1(3) . . ?
C28 N00E N00C 106.5(4) . . ?
N5 N6 C53 104.8(4) . . ?
N5 N6 Zn4 130.9(3) . . ?
C53 N6 Zn4 124.1(3) . . ?
N2 N1 Zn1 124.4(3) . . ?
N2 N1 C1 108.9(4) . . ?
C1 N1 Zn1 126.2(3) . . ?
N3 N4 Zn1 114.7(3) . 7_655 ?
N3 N4 C26 109.7(4) . . ?
C26 N4 Zn1 121.7(3) . 7_655 ?
C16 C17 C18 102.3(4) . . ?
C16 C17 C13 129.0(4) . . ?
C18 C17 C13 128.3(4) . . ?
C7 N11 C10 117.2(4) . . ?
C7 N11 C19 117.7(4) . . ?
C10 N11 C19 116.6(4) . . ?
C54 C52 C53 102.8(4) . . ?
C54 C52 C49 128.2(5) . . ?
C53 C52 C49 128.9(5) . . ?
C46 N12 C37 121.9(4) . . ?
C46 N12 C34 120.1(4) . . ?
C34 N12 C37 113.7(4) . . ?
N8 C16 C17 111.0(4) . . ?
C44 C43 C40 128.5(4) . . ?
C44 C43 C45 102.6(4) . . ?
C45 C43 C40 128.9(5) . . ?
N7 C18 C17 112.3(4) . . ?
C14 C13 C17 121.0(4) . . ?
C12 C13 C17 120.9(4) . . ?
C12 C13 C14 118.1(4) . . ?
C28 C29 C31 129.0(4) . . ?
C30 C29 C31 129.1(4) . . ?
C30 C29 C28 102.0(4) . . ?
N5 C54 C52 112.3(4) . . ?
C39 C40 C43 123.4(5) . . ?
C39 C40 C41 114.1(5) . . ?
C41 C40 C43 122.4(5) . . ?
C32 C31 C29 121.2(5) . . ?
C32 C31 C36 118.2(5) . . ?
C36 C31 C29 120.6(5) . . ?
C52 C53 N6 111.8(5) . . ?
N10 C44 C43 111.8(4) . . ?
C3 C2 C4 127.2(5) . . ?
C1 C2 C3 105.8(5) . . ?
C1 C2 C4 126.9(5) . . ?
N2 C3 C2 110.0(5) . . ?
N3 C27 C25 109.9(5) . . ?
C6 C7 N11 119.2(5) . . ?
C6 C7 C8 119.4(5) . . ?
C8 C7 N11 121.4(5) . . ?
N9 C45 C43 111.5(4) . . ?
N00E C28 C29 112.4(4) . . ?
C4 C5 C6 121.5(5) . . ?
C5 C4 C2 121.4(5) . . ?
C5 C4 C9 118.3(5) . . ?
C9 C4 C2 120.3(5) . . ?
C15 C10 N11 122.9(4) . . ?
C11 C10 N11 118.4(5) . . ?
C11 C10 C15 118.7(5) . . ?
C27 C25 C22 127.8(5) . . ?
C26 C25 C27 103.3(5) . . ?
C26 C25 C22 128.9(5) . . ?
C42 C37 N12 118.0(5) . . ?
C38 C37 N12 122.6(5) . . ?
C38 C37 C42 119.2(5) . . ?
C14 C15 C10 122.4(4) . . ?
N00C C30 C29 112.9(4) . . ?
C51 C46 N12 119.7(5) . . ?
C47 C46 N12 121.5(5) . . ?
C47 C46 C51 118.2(5) . . ?
C50 C49 C52 120.1(5) . . ?
C50 C49 C48 115.7(5) . . ?
C48 C49 C52 123.9(5) . . ?
C2 C1 N1 107.6(5) . . ?
C23 C22 C25 120.7(5) . . ?
C23 C22 C21 118.7(5) . . ?
C21 C22 C25 120.6(5) . . ?
C15 C14 C13 119.4(5) . . ?
C35 C34 N12 121.3(5) . . ?
C33 C34 N12 122.2(5) . . ?
C33 C34 C35 116.4(5) . . ?
C20 C19 N11 120.2(5) . . ?
C20 C19 C24 118.4(5) . . ?
C24 C19 N11 121.3(5) . . ?
N4 C26 C25 110.6(4) . . ?
C7 C6 C5 120.0(5) . . ?
C10 C11 C12 119.0(5) . . ?
C49 C50 C51 121.5(5) . . ?
C19 C20 C21 121.9(5) . . ?
C13 C12 C11 122.2(5) . . ?
C46 C51 C50 121.5(5) . . ?
C38 C39 C40 123.7(6) . . ?
C24 C23 C22 119.7(5) . . ?
C41 C42 C37 119.1(6) . . ?
C20 C21 C22 120.4(5) . . ?
C31 C32 C33 119.5(6) . . ?
C37 C38 C39 121.0(6) . . ?
C36 C35 C34 120.6(6) . . ?
C42 C41 C40 122.9(6) . . ?
C46 C47 C48 120.4(5) . . ?
C35 C36 C31 121.9(6) . . ?
C23 C24 C19 120.7(5) . . ?
C7 C8 C9 119.5(6) . . ?
C49 C48 C47 122.3(5) . . ?
C4 C9 C8 121.1(6) . . ?
C34 C33 C32 123.4(6) . . ?
N6 Zn4 N6 128.3(2) . 2_754 ?
N6 Zn4 O6 97.9(3) . . ?
N6 Zn4 O6 93.2(3) 2_754 . ?
N6 Zn4 O6 93.2(3) . 2_754 ?
N6 Zn4 O6 97.9(3) 2_754 2_754 ?
O6 Zn4 O6 154.3(6) . 2_754 ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.611 -0.556 -1.000 10972.9 1883.2 ?

_olex2_submission_special_instructions 'No special instructions were received'
