# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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. 
# 
#######################################################################

data_cpd1
_database_code_depnum_ccdc_archive 'CCDC 2322407'
loop_
_audit_author_name
_audit_author_address
'Jing-Yun Wu'
;National Chi Nan University
Taiwan
;
_audit_update_record             
;
2024-11-15 deposited with the CCDC.	2024-11-20 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT601_cpd1                
;
PROBLEM: Unit Cell Contains Solvent Accessible VOIDS   <=        336 Ang**3
RESPONSE: This alert is due to that this compound has porous structure. 
;
_vrf_PLAT029_cpd1                
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.940 Why?
RESPONSE: This alert is due to weak diffraction intensity at high diffraction angles.
;
_vrf_PLAT220_cpd1                
;
PROBLEM: NonSolvent   Resd 1  N   Ueq(max)/Ueq(min) Range        9.0 Ratio
RESPONSE: This alert is due to the essentially highly disordered structures of bpBTD ligand and the amine group on atpt ligand.
;
_vrf_PLAT430_cpd1                
;
PROBLEM: Short Inter D...A Contact  O3       ..O3       .       2.81 Ang.
RESPONSE: This alert is due to the dinuclear paddlewheel skeleton that makes the four carboxylate groups close each other.
;
_vrf_PLAT430_cpd1_2              
;
PROBLEM: Short Inter D...A Contact  O4       ..O4       .       2.81 Ang.
RESPONSE: This alert is due to the dinuclear paddlewheel skeleton that makes the four carboxylate groups close each other.
;
_vrf_PLAT911_cpd1                
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.600        246 Report
RESPONSE:  This alert is due to weak diffraction intensity at high angles.
;
# Added during the CSD deposition process: Friday 15 November 2024 02:22 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H20 N6 O8 S Zn2'
_chemical_formula_sum            'C32 H20 N6 O8 S Zn2'
_chemical_formula_weight         779.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_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'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   14.7876(9)
_cell_length_b                   16.0688(9)
_cell_length_c                   18.3696(12)
_cell_angle_alpha                90
_cell_angle_beta                 90.131(3)
_cell_angle_gamma                90
_cell_volume                     4365.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6779
_cell_measurement_theta_min      4.06
_cell_measurement_theta_max      68.31

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.186
_exptl_crystal_F_000             1576
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.058
_exptl_crystal_size_mid          0.043
_exptl_crystal_size_min          0.032
_exptl_absorpt_coefficient_mu    2.191
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6370
_exptl_absorpt_correction_T_max  0.9705
_exptl_absorpt_process_details   'Bruker SADABS, 1996'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture PhotonIII'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11379
_diffrn_reflns_av_unetI/netI     0.0801
_diffrn_reflns_av_R_equivalents  0.0757
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.405
_diffrn_reflns_theta_max         68.341
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measured_fraction_theta_full 0.940
_diffrn_reflns_Laue_measured_fraction_max 0.938
_diffrn_reflns_Laue_measured_fraction_full 0.940
_diffrn_reflns_point_group_measured_fraction_max 0.938
_diffrn_reflns_point_group_measured_fraction_full 0.940
_reflns_number_total             3914
_reflns_number_gt                3287
_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       'Bruker Instrument Service v2012.12.0.3'
_computing_cell_refinement       'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.1875P)²+12.9818P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3914
_refine_ls_number_parameters     447
_refine_ls_number_restraints     441
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_gt           0.0803
_refine_ls_wR_factor_ref         0.2676
_refine_ls_wR_factor_gt          0.2571
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.002
_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
C1 C 0.2440(4) 0.5848(4) -0.2871(3) 0.028(2) Uani 0.5 1 d G . P A -1
C2 C 0.2443(4) 0.5845(4) -0.2108(3) 0.027(2) Uani 0.5 1 d G . P A -1
C3 C 0.1853(4) 0.5320(4) -0.1727(3) 0.023(2) Uani 0.5 1 d G . P A -1
C4 C 0.1260(4) 0.4797(3) -0.2110(3) 0.022(3) Uani 0.5 1 d G . P A -1
H4 H 0.0861 0.4441 -0.1852 0.026 Uiso 0.5 1 calc R U P A -1
C5 C 0.1258(4) 0.4799(3) -0.2873(3) 0.020(3) Uani 0.5 1 d G . P A -1
H5 H 0.0856 0.4445 -0.3132 0.024 Uiso 0.5 1 calc R U P A -1
C6 C 0.1847(4) 0.5325(4) -0.3253(3) 0.024(2) Uani 0.5 1 d G . P A -1
C7A C 0.2604(15) 0.5213(14) 0.0253(13) 0.040(6) Uani 0.25 1 d . U P A -1
H7A H 0.3138 0.5246 0.0540 0.048 Uiso 0.25 1 calc R U P A -1
C8A C 0.2656(14) 0.5300(14) -0.0482(12) 0.035(4) Uani 0.25 1 d . U P A -1
H8A H 0.3229 0.5352 -0.0710 0.042 Uiso 0.25 1 calc R U P A -1
C9A C 0.190(4) 0.531(5) -0.089(4) 0.025(7) Uani 0.25 1 d . U P A -1
C10A C 0.1035(13) 0.5183(11) -0.0486(11) 0.025(5) Uani 0.25 1 d . U P A -1
H10A H 0.0472 0.5148 -0.0735 0.031 Uiso 0.25 1 calc R U P A -1
C11A C 0.1085(12) 0.512(2) 0.0254(10) 0.026(7) Uani 0.25 1 d . U P A -1
H11A H 0.0531 0.5107 0.0514 0.031 Uiso 0.25 1 calc R U P A -1
C12A C 0.1086(12) 0.512(2) -0.5233(10) 0.019(6) Uani 0.25 1 d . U P A -1
H12A H 0.0533 0.5073 -0.5493 0.023 Uiso 0.25 1 calc R U P A -1
C13A C 0.1050(12) 0.5172(10) -0.4470(10) 0.017(5) Uani 0.25 1 d . U P A -1
H13A H 0.0486 0.5115 -0.4229 0.021 Uiso 0.25 1 calc R U P A -1
C14A C 0.185(3) 0.5314(19) -0.405(2) 0.024(7) Uiso 0.25 1 d . U P A -1
C15A C 0.2660(13) 0.5322(13) -0.4503(11) 0.029(4) Uani 0.25 1 d . U P A -1
H15A H 0.3229 0.5391 -0.4271 0.035 Uiso 0.25 1 calc R U P A -1
C16A C 0.2640(13) 0.5234(12) -0.5242(11) 0.030(5) Uani 0.25 1 d . U P A -1
H16A H 0.3177 0.5246 -0.5524 0.037 Uiso 0.25 1 calc R U P A -1
C17 C -0.0027(5) 0.3149(5) 0.2505(4) 0.052(2) Uani 1 1 d . . . . .
C18 C -0.0334(5) 0.2815(5) 0.1844(4) 0.0526(19) Uani 1 1 d D . . . .
H18 H -0.0116 0.3028 0.1394 0.063 Uiso 0.68 1 calc R U P B -4
C19 C -0.0961(5) 0.2171(5) 0.1852(4) 0.054(2) Uani 1 1 d D . . . .
H19 H -0.1181 0.1952 0.1405 0.065 Uiso 0.68 1 calc R U P C -3
C20 C -0.1270(5) 0.1842(5) 0.2506(4) 0.0488(18) Uani 1 1 d . . . . .
C21 C -0.0958(5) 0.2168(5) 0.3172(4) 0.053(2) Uani 1 1 d D U . . .
H21 H -0.1171 0.1949 0.3620 0.064 Uiso 0.82 1 calc R U P D -2
C22 C -0.0334(5) 0.2815(5) 0.3165(4) 0.0521(19) Uani 1 1 d D . . . .
H22 H -0.0113 0.3033 0.3612 0.063 Uiso 0.82 1 calc R U P E -1
C23 C 0.0646(4) 0.3848(4) 0.2507(4) 0.0418(15) Uani 1 1 d . . . . .
C24 C -0.1941(4) 0.1143(4) 0.2511(3) 0.0364(14) Uani 1 1 d . . . . .
N1 N 0.3038(7) 0.6407(7) -0.3165(5) 0.040(2) Uani 0.5 1 d . . P A -1
N2 N 0.3025(7) 0.6406(7) -0.1810(5) 0.040(2) Uani 0.5 1 d . . P A -1
N3A N 0.175(3) 0.507(9) 0.060(2) 0.029(8) Uani 0.25 1 d . U P A -1
N4A N 0.177(3) 0.512(3) -0.5569(15) 0.018(6) Uani 0.25 1 d . U P A -1
N5A N -0.0102(12) 0.3086(12) 0.1170(10) 0.049(5) Uani 0.32 1 d D . P F 1
N5B N -0.0025(12) 0.3051(11) 0.3848(9) 0.046(4) Uani 0.32 1 d D . P G 2
N5C N -0.125(2) 0.192(2) 0.1129(17) 0.053(9) Uani 0.18 1 d D . P H 3
N5D N -0.126(2) 0.195(2) 0.3895(17) 0.054(9) Uani 0.18 1 d D U P I 4
O1 O 0.0893(3) 0.4115(3) 0.1903(3) 0.0584(15) Uani 1 1 d . . . . .
O2 O 0.0898(3) 0.4113(3) 0.3111(3) 0.0559(14) Uani 1 1 d . . . . .
O3 O -0.2203(4) 0.0875(3) 0.1910(3) 0.0572(15) Uani 1 1 d . . . . .
O4 O -0.2197(4) 0.0874(3) 0.3109(3) 0.0548(14) Uani 1 1 d . . . . .
S1 S 0.3505(3) 0.6848(2) -0.24865(17) 0.0548(10) Uani 0.5 1 d . . P . .
Zn1 Zn 0.18402(5) 0.5000 0.17150(4) 0.0140(3) Uani 1 2 d S T P . .
Zn2 Zn 0.18443(5) 0.5000 0.33019(4) 0.0140(3) Uani 1 2 d S T P A .
C7B C 0.1967(16) 0.4161(15) 0.0281(11) 0.023(4) Uani 0.25 1 d . U P A -2
H7B H 0.2043 0.3677 0.0571 0.028 Uiso 0.25 1 calc R U P A -2
C8B C 0.1967(17) 0.4054(16) -0.0463(12) 0.030(5) Uani 0.25 1 d . U P A -2
H8B H 0.2071 0.3521 -0.0670 0.036 Uiso 0.25 1 calc R U P A -2
C9B C 0.181(3) 0.477(5) -0.092(3) 0.019(6) Uani 0.25 1 d . U P A -2
C10B C 0.171(2) 0.5539(18) -0.0534(15) 0.031(5) Uani 0.25 1 d . U P A -2
H10B H 0.1649 0.6042 -0.0802 0.037 Uiso 0.25 1 calc R U P A -2
C11B C 0.1709(16) 0.5568(17) 0.0218(13) 0.024(5) Uiso 0.25 1 d . U P A -2
H11B H 0.1594 0.6079 0.0461 0.029 Uiso 0.25 1 calc R U P A -2
C12B C 0.1656(19) 0.4469(16) -0.5173(9) 0.029(5) Uani 0.25 1 d D U P J -2
H12B H 0.1459 0.3966 -0.5394 0.035 Uiso 0.25 1 calc R U P J -2
C13B C 0.1683(17) 0.4490(11) -0.4439(9) 0.027(4) Uani 0.25 1 d D U P J -2
H13B H 0.1591 0.3997 -0.4164 0.033 Uiso 0.25 1 calc R U P J -2
C14B C 0.184(2) 0.5221(10) -0.4102(15) 0.016(7) Uiso 0.25 1 d D U P J -2
C15B C 0.1971(15) 0.5899(14) -0.4524(9) 0.026(4) Uani 0.25 1 d D U P J -2
H15B H 0.2074 0.6427 -0.4308 0.032 Uiso 0.25 1 calc R U P J -2
C16B C 0.1955(17) 0.5818(15) -0.5256(9) 0.025(4) Uani 0.25 1 d D U P J -2
H16B H 0.1999 0.6312 -0.5537 0.031 Uiso 0.25 1 calc R U P J -2
N3B N 0.187(2) 0.485(3) 0.0619(19) 0.006(6) Uiso 0.25 1 d . . P A -2
N4B N 0.188(3) 0.5096(15) -0.5618(15) 0.019(5) Uani 0.25 1 d D U P J -2
H5A1 H 0.005(7) 0.271(2) 0.086(2) 0.022 Uiso 0.32 1 d D U P K 1
H5A2 H 0.030(6) 0.347(5) 0.1152(14) 0.022 Uiso 0.32 1 d D U P L 1
H5B1 H -0.045(2) 0.319(7) 0.414(2) 0.022 Uiso 0.32 1 d D U P M 2
H5B2 H 0.035(6) 0.346(5) 0.3834(15) 0.022 Uiso 0.32 1 d D U P N 2
H5C1 H -0.125(13) 0.235(3) 0.086(3) 0.022 Uiso 0.18 1 d D U P O 3
H5C2 H -0.084(8) 0.159(9) 0.096(4) 0.022 Uiso 0.18 1 d D U P P 3
H5D1 H -0.128(12) 0.240(4) 0.415(3) 0.022 Uiso 0.18 1 d D U P Q 4
H5D2 H -0.180(5) 0.176(11) 0.387(2) 0.022 Uiso 0.18 1 d D U P R 4


_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
C1 N1 1.372(11) . ?
C1 C2 1.402(4) . ?
C1 C6 1.402(4) . ?
C2 N2 1.360(11) . ?
C2 C3 1.402(4) . ?
C3 C4 1.402(4) . ?
C3 C9A 1.55(7) . ?
C4 C5 1.402(4) . ?
C5 C6 1.402(4) . ?
C6 C14A 1.47(4) . ?
C7A C8A 1.36(3) . ?
C7A N3A 1.43(5) . ?
C8A C9A 1.34(6) . ?
C9A C10A 1.49(7) . ?
C10A C11A 1.36(3) . ?
C11A N3A 1.17(5) . ?
C12A N4A 1.18(5) . ?
C12A C13A 1.40(2) . ?
C13A C14A 1.43(4) . ?
C14A C15A 1.45(4) . ?
C15A C16A 1.36(3) . ?
C16A N4A 1.43(5) . ?
C17 C22 1.402(10) . ?
C17 C18 1.403(9) . ?
C17 C23 1.500(7) . ?
C18 N5A 1.356(18) . ?
C18 C19 1.390(9) . ?
C19 C20 1.390(9) . ?
C19 N5C 1.45(3) . ?
C20 C21 1.407(9) . ?
C20 C24 1.499(7) . ?
C21 C22 1.391(9) . ?
C21 N5D 1.44(3) . ?
C22 N5B 1.388(17) . ?
C23 O1 1.245(8) . ?
C23 O2 1.245(8) . ?
C24 O4 1.239(7) . ?
C24 O3 1.246(7) . ?
N1 S1 1.590(10) . ?
N2 S1 1.598(11) . ?
N3A Zn1 2.06(4) . ?
O1 Zn1 2.026(4) . ?
O2 Zn2 2.027(4) . ?
O3 Zn1 2.027(4) 3_445 ?
O4 Zn2 2.028(4) 3_445 ?
Zn1 O1 2.025(4) 6_565 ?
Zn1 N3B 2.03(3) . ?
Zn1 O3 2.027(4) 3 ?
Zn1 O3 2.027(4) 8 ?
Zn1 Zn2 2.9150(12) . ?
Zn2 O2 2.027(4) 6_565 ?
Zn2 O4 2.028(4) 3 ?
Zn2 O4 2.028(4) 8 ?
C7B N3B 1.28(5) . ?
C7B C8B 1.38(3) . ?
C8B C9B 1.44(7) . ?
C9B C10B 1.44(8) . ?
C10B C11B 1.38(4) . ?
C11B N3B 1.38(5) . ?
C12B N4B 1.340(10) . ?
C12B C13B 1.349(10) . ?
C13B C14B 1.348(10) . ?
C14B C15B 1.351(10) . ?
C15B C16B 1.350(10) . ?
C16B N4B 1.341(11) . ?

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 C1 C2 113.3(5) . . ?
N1 C1 C6 126.7(5) . . ?
C2 C1 C6 120.0 . . ?
N2 C2 C3 126.3(6) . . ?
N2 C2 C1 113.6(6) . . ?
C3 C2 C1 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 C9A 121(2) . . ?
C2 C3 C9A 119(2) . . ?
C5 C4 C3 120.0 . . ?
C4 C5 C6 120.0 . . ?
C5 C6 C1 120.0 . . ?
C5 C6 C14A 119.7(13) . . ?
C1 C6 C14A 120.3(13) . . ?
C8A C7A N3A 120(2) . . ?
C9A C8A C7A 120(4) . . ?
C8A C9A C10A 116(5) . . ?
C8A C9A C3 126(5) . . ?
C10A C9A C3 117(4) . . ?
C11A C10A C9A 117(3) . . ?
N3A C11A C10A 126(3) . . ?
N4A C12A C13A 124(2) . . ?
C12A C13A C14A 121(2) . . ?
C13A C14A C15A 112(3) . . ?
C13A C14A C6 122(3) . . ?
C15A C14A C6 125(3) . . ?
C16A C15A C14A 123(2) . . ?
C15A C16A N4A 117(2) . . ?
C22 C17 C18 119.8(6) . . ?
C22 C17 C23 120.1(6) . . ?
C18 C17 C23 120.1(6) . . ?
N5A C18 C19 114.8(9) . . ?
N5A C18 C17 125.8(9) . . ?
C19 C18 C17 119.3(6) . . ?
C18 C19 C20 120.9(6) . . ?
C18 C19 N5C 113.0(12) . . ?
C20 C19 N5C 126.1(12) . . ?
C19 C20 C21 120.1(6) . . ?
C19 C20 C24 120.6(6) . . ?
C21 C20 C24 119.3(6) . . ?
C22 C21 C20 119.1(6) . . ?
C22 C21 N5D 113.3(12) . . ?
C20 C21 N5D 127.4(13) . . ?
N5B C22 C21 114.4(9) . . ?
N5B C22 C17 124.8(9) . . ?
C21 C22 C17 120.7(6) . . ?
O1 C23 O2 126.0(5) . . ?
O1 C23 C17 116.9(6) . . ?
O2 C23 C17 117.0(6) . . ?
O4 C24 O3 124.8(5) . . ?
O4 C24 C20 118.0(5) . . ?
O3 C24 C20 117.2(5) . . ?
C1 N1 S1 105.2(6) . . ?
C2 N2 S1 105.3(6) . . ?
C11A N3A C7A 120(4) . . ?
C11A N3A Zn1 126(3) . . ?
C7A N3A Zn1 113(3) . . ?
C12A N4A C16A 123(3) . . ?
C23 O1 Zn1 126.8(4) . . ?
C23 O2 Zn2 126.8(4) . . ?
C24 O3 Zn1 127.6(4) . 3_445 ?
C24 O4 Zn2 127.7(4) . 3_445 ?
N1 S1 N2 102.6(5) . . ?
O1 Zn1 O1 89.1(4) 6_565 . ?
O1 Zn1 N3B 105.6(11) 6_565 . ?
O1 Zn1 N3B 96.2(12) . . ?
O1 Zn1 O3 88.0(3) 6_565 3 ?
O1 Zn1 O3 160.0(2) . 3 ?
N3B Zn1 O3 103.7(12) . 3 ?
O1 Zn1 O3 160.0(2) 6_565 8 ?
O1 Zn1 O3 88.0(3) . 8 ?
N3B Zn1 O3 94.4(11) . 8 ?
O3 Zn1 O3 87.9(4) 3 8 ?
O1 Zn1 N3A 95(3) 6_565 . ?
O1 Zn1 N3A 100(3) . . ?
O3 Zn1 N3A 100(3) 3 . ?
O3 Zn1 N3A 105(3) 8 . ?
O1 Zn1 Zn2 80.15(15) 6_565 . ?
O1 Zn1 Zn2 80.15(15) . . ?
N3B Zn1 Zn2 173.2(13) . . ?
O3 Zn1 Zn2 79.85(14) 3 . ?
O3 Zn1 Zn2 79.85(14) 8 . ?
N3A Zn1 Zn2 175(3) . . ?
O2 Zn2 O2 89.4(3) . 6_565 ?
O2 Zn2 O4 160.0(2) . 3 ?
O2 Zn2 O4 88.0(2) 6_565 3 ?
O2 Zn2 O4 88.0(2) . 8 ?
O2 Zn2 O4 160.0(2) 6_565 8 ?
O4 Zn2 O4 87.7(4) 3 8 ?
O2 Zn2 Zn1 80.06(15) . . ?
O2 Zn2 Zn1 80.06(15) 6_565 . ?
O4 Zn2 Zn1 79.92(14) 3 . ?
O4 Zn2 Zn1 79.92(14) 8 . ?
N3B C7B C8B 126(3) . . ?
C7B C8B C9B 119(3) . . ?
C8B C9B C10B 114(4) . . ?
C11B C10B C9B 122(3) . . ?
N3B C11B C10B 120(2) . . ?
N4B C12B C13B 126(2) . . ?
C14B C13B C12B 119(2) . . ?
C13B C14B C15B 118(3) . . ?
C16B C15B C14B 119(2) . . ?
N4B C16B C15B 125(3) . . ?
C7B N3B C11B 119(3) . . ?
C7B N3B Zn1 126(3) . . ?
C11B N3B Zn1 115(3) . . ?
C12B N4B C16B 112(3) . . ?

_refine_diff_density_max         1.266
_refine_diff_density_min         -0.893
_refine_diff_density_rms         0.185



