# Supplementary Information (SI) for ChemComm.
# 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 
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data_b23010502ahttzn1_0ma
_database_code_depnum_ccdc_archive 'CCDC 2407349'
loop_
_audit_author_name
_audit_author_address
'Li Jianrong'
;Guangdong University of Technology
China
;
_audit_update_record             
;
2024-12-03 deposited with the CCDC.	2025-01-31 downloaded from the CCDC.
;
_audit_creation_date             2023-01-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        HTT-Zn
_chemical_formula_moiety         '0.25(C360 H120 S120 Zn30)'
_chemical_formula_sum            'C90 H30 S30 Zn7.50'
_chemical_formula_weight         2563.24
_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'
S S 0.2924 0.4247 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -2.8023 0.5456 '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      hexagonal
_space_group_IT_number           176
_space_group_name_H-M_alt        'P 63/m'
_space_group_name_Hall           '-P 6c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x-y, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, z+1/2'
'-x, -y, -z'
'-x+y, -x, -z-1/2'
'y, -x+y, -z'
'x, y, -z-1/2'
'x-y, x, -z'
'-y, x-y, -z-1/2'

_cell_length_a                   30.4115(14)
_cell_length_b                   30.4115(14)
_cell_length_c                   56.222(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     45031(5)
_cell_formula_units_Z            3.99996
_cell_measurement_reflns_used    9764
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      38.489
_cell_measurement_theta_min      2.621
_shelx_estimated_absorpt_T_max   0.966
_shelx_estimated_absorpt_T_min   0.913
_exptl_absorpt_coefficient_mu    1.163
_exptl_absorpt_correction_T_max  0.7495
_exptl_absorpt_correction_T_min  0.5566
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1263 before and 0.0682 after correction.
The Ratio of minimum to maximum transmission is 0.7426.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    0.378
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             5100
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0701
_diffrn_reflns_av_unetI/netI     0.0464
_diffrn_reflns_Laue_measured_fraction_full 0.879
_diffrn_reflns_Laue_measured_fraction_max 0.879
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            37016
_diffrn_reflns_point_group_measured_fraction_full 0.879
_diffrn_reflns_point_group_measured_fraction_max 0.879
_diffrn_reflns_theta_full        28.997
_diffrn_reflns_theta_max         28.997
_diffrn_reflns_theta_min         2.619
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.879
_diffrn_measured_fraction_theta_max 0.879
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2719
_reflns_number_total             5311
_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 V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.275
_refine_diff_density_min         -0.353
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       0.00024(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         5311
_refine_ls_number_restraints     371
_refine_ls_R_factor_all          0.1619
_refine_ls_R_factor_gt           0.1155
_refine_ls_restrained_S_all      1.278
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_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          0.2887
_refine_ls_wR_factor_ref         0.3453
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C25-C24 = C26-C25 = C27-C26 = C30-C29 = C29-C28 = C31-C30 = C32-C31 = C33-C32
 1.39 with sigma of 0.002
 C25-C25_$1 \\sim C24-C19 \\sim C19_$1-C24_$1
 with sigma of 0.02
 C7-C18 \\sim C12-C1 \\sim C13-C6
 with sigma of 0.02
 S2-C4 \\sim S1-C3 \\sim S6-C16 \\sim S5-C15 \\sim S4-C10 \\sim S3-C9 \\sim
S8-C22 \\sim S7-C21 \\sim S9-C27 ~
 S11-C29 \\sim S10-C28
 with sigma of 0.02
 S1-S2 \\sim S3-S4 \\sim S5-S6 \\sim S7-S8 \\sim S10-S11
 with sigma of 0.02
3. Restrained planarity
 S10, S11, C28, C29, C30, C31, C32, C33
 with sigma of 0.1
 Zn1, Zn2, S1, S2, S3, S4, S5, S6, C1, C2, C3, C4, C5, C6, C7, C8, C9, C10,
 C11, C12, C13, C14, C15, C16, C17, C18
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Uanis(C31) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C30)
\\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(S11) \\sim Ueq,
Uanis(S10) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(S9) \\sim Ueq, Uanis(S8) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C20)
\\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C23) \\sim Ueq,
Uanis(C22) \\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C27)
\\sim Ueq, Uanis(S7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms
of 0.02
Uanis(C17) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C14)
\\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C8) \\sim Ueq,
Uanis(C7) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C10)
\\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C1) \\sim Ueq,
Uanis(C18) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C3) \\sim
Ueq, Uanis(S1) \\sim Ueq, Uanis(S2) \\sim Ueq, Uanis(S3) \\sim Ueq, Uanis(S4)
\\sim Ueq, Uanis(S5) \\sim Ueq, Uanis(S6) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
5.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C11(H11), C8(H8), C17(H17), C14(H14), C20(H20), C23(H23),
 C26(H26), C30(H30), C33(H33)
5.b Fitted hexagon refined as free rotating group:
 C4(C3,C2,C1,C6,C5), C11(C10,C9,C8,C7,C12), C17(C16,C15,C14,C13,C18), C20(C19,
 C24,C23,C22,C21)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.43797(13) 0.56991(12) 0.35383(5) 0.3092(17) Uani 1 1 d . . . . .
Zn2 Zn 0.43632(17) 0.28336(14) 0.49045(7) 0.380(2) Uani 1 1 d . . . . .
Zn3 Zn 0.74726(11) 0.90457(12) 0.2500 0.279(2) Uani 1 2 d S T P . .
S1 S 0.37828(18) 0.56251(17) 0.38178(10) 0.329(3) Uani 1 1 d D U . . .
S2 S 0.45504(19) 0.51415(18) 0.37344(10) 0.306(3) Uani 1 1 d D U . . .
S3 S 0.4539(2) 0.3358(2) 0.45887(11) 0.353(3) Uani 1 1 d D U . . .
S4 S 0.3765(2) 0.3012(2) 0.50647(11) 0.372(4) Uani 1 1 d D U . . .
S5 S 0.2097(3) 0.4091(3) 0.52354(12) 0.391(4) Uani 1 1 d D U . . .
S6 S 0.2129(2) 0.4920(2) 0.48301(11) 0.335(3) Uani 1 1 d D U . . .
S7 S 0.4062(2) 0.5518(2) 0.31413(10) 0.270(2) Uani 1 1 d D U . . .
S8 S 0.5013(2) 0.6484(2) 0.34387(10) 0.294(3) Uani 1 1 d D U . . .
S9 S 0.68423(16) 0.87514(17) 0.27999(9) 0.234(2) Uani 1 1 d D U . . .
S10 S 0.8155(2) 0.9874(2) 0.2500 0.249(3) Uani 1 2 d DS TU P . .
S11 S 0.7988(3) 0.8683(2) 0.2500 0.263(3) Uani 1 2 d DS TU P . .
C4 C 0.4144(3) 0.4965(4) 0.39832(16) 0.279(9) Uani 1 1 d D U . . .
C3 C 0.3836(5) 0.5179(3) 0.4007(2) 0.292(9) Uani 1 1 d DG U . . .
C2 C 0.3511(3) 0.5053(4) 0.4201(3) 0.259(8) Uani 1 1 d G U . . .
H2 H 0.3301 0.5200 0.4218 0.310 Uiso 1 1 calc R . . . .
C1 C 0.3494(3) 0.4712(4) 0.43708(17) 0.232(7) Uani 1 1 d DG U . . .
C6 C 0.3802(5) 0.4497(2) 0.43465(19) 0.231(7) Uani 1 1 d DG U . . .
C5 C 0.4127(3) 0.4624(4) 0.4153(3) 0.257(7) Uani 1 1 d G U . . .
H5 H 0.4337 0.4477 0.4136 0.308 Uiso 1 1 calc R . . . .
C11 C 0.3481(4) 0.3664(4) 0.48721(17) 0.269(8) Uani 1 1 d . U . . .
H11 H 0.3261 0.3572 0.5006 0.323 Uiso 1 1 calc R . . . .
C10 C 0.3793(5) 0.3457(3) 0.4842(2) 0.269(8) Uani 1 1 d DG U . . .
C9 C 0.4115(4) 0.3592(4) 0.4647(3) 0.324(11) Uani 1 1 d DG U . . .
C8 C 0.4124(3) 0.3935(4) 0.44810(18) 0.267(8) Uani 1 1 d G U . . .
H8 H 0.4343 0.4028 0.4347 0.320 Uiso 1 1 calc R . . . .
C7 C 0.3811(5) 0.4143(3) 0.4511(2) 0.233(7) Uani 1 1 d DG U . . .
C12 C 0.3489(3) 0.4008(4) 0.4706(3) 0.242(7) Uani 1 1 d DG U . . .
C17 C 0.2844(5) 0.4767(3) 0.4609(2) 0.261(8) Uani 1 1 d . U . . .
H17 H 0.2853 0.5001 0.4495 0.313 Uiso 1 1 calc R . . . .
C16 C 0.2520(3) 0.4636(5) 0.4804(3) 0.330(11) Uani 1 1 d DG U . . .
C15 C 0.2506(3) 0.4294(5) 0.49716(19) 0.298(9) Uani 1 1 d DG U . . .
C14 C 0.2817(5) 0.4082(3) 0.4945(2) 0.335(11) Uani 1 1 d G U . . .
H14 H 0.2807 0.3848 0.5059 0.401 Uiso 1 1 calc R . . . .
C13 C 0.3141(3) 0.4214(4) 0.4750(3) 0.279(9) Uani 1 1 d DG U . . .
C18 C 0.3154(3) 0.4556(4) 0.45826(17) 0.238(7) Uani 1 1 d DG U . . .
C20 C 0.4542(3) 0.6108(3) 0.27547(19) 0.176(5) Uani 1 1 d . U . . .
H20 H 0.4281 0.5831 0.2669 0.212 Uiso 1 1 calc R . . . .
C19 C 0.4909(4) 0.6531(4) 0.26334(11) 0.159(5) Uani 1 1 d DG U . . .
C24 C 0.5290(3) 0.6936(3) 0.27588(18) 0.166(5) Uani 1 1 d DG U . . .
C23 C 0.5305(3) 0.6918(3) 0.30056(18) 0.165(5) Uani 1 1 d G U . . .
H23 H 0.5565 0.7195 0.3091 0.198 Uiso 1 1 calc R . . . .
C22 C 0.4938(4) 0.6494(4) 0.31269(11) 0.186(5) Uani 1 1 d DG U . . .
C21 C 0.4556(3) 0.6089(3) 0.30014(19) 0.188(5) Uani 1 1 d DG U . . .
C25 C 0.5648(4) 0.7348(3) 0.26268(11) 0.153(5) Uani 1 1 d D U . . .
C26 C 0.6022(4) 0.7787(4) 0.2736(2) 0.157(4) Uani 1 1 d D U . . .
H26 H 0.6026 0.7786 0.2904 0.188 Uiso 1 1 calc R . . . .
C27 C 0.6389(4) 0.8229(4) 0.26255(17) 0.151(5) Uani 1 1 d D U . . .
C28 C 0.8637(8) 0.9702(9) 0.2500 0.268(11) Uani 1 2 d DS TU P . .
C29 C 0.8608(6) 0.9231(6) 0.2500 0.197(8) Uani 1 2 d DS TU P . .
C30 C 0.9024(7) 0.9158(8) 0.2500 0.204(8) Uani 1 2 d DS TU P . .
H30 H 0.8976 0.8825 0.2500 0.244 Uiso 1 2 calc RS T P . .
C31 C 0.9512(8) 0.9577(9) 0.2500 0.196(8) Uani 1 2 d DS TU P . .
C32 C 0.9929(11) 0.9506(8) 0.2500 0.195(8) Uani 1 2 d DS TU P . .
C33 C 0.9898(8) 0.9035(8) 0.2500 0.221(9) Uani 1 2 d DS TU P . .
H33 H 0.9566 0.8747 0.2500 0.265 Uiso 1 2 calc RS 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
Zn1 S1 2.325(7) . ?
Zn1 S2 2.290(7) . ?
Zn1 S7 2.384(6) . ?
Zn1 S8 2.263(7) . ?
Zn2 S3 2.264(8) . ?
Zn2 S4 2.324(9) . ?
Zn2 S5 2.391(10) 9_556 ?
Zn2 S6 2.308(8) 9_556 ?
Zn3 S9 2.367(5) . ?
Zn3 S9 2.367(5) 10_556 ?
Zn3 S10 2.329(7) . ?
Zn3 S11 2.322(8) . ?
S1 C3 1.795(9) . ?
S2 C4 1.763(9) . ?
S3 C9 1.790(10) . ?
S4 C10 1.811(10) . ?
S5 Zn2 2.391(10) 11_556 ?
S5 C15 1.834(10) . ?
S6 Zn2 2.308(8) 11_556 ?
S6 C16 1.791(10) . ?
S7 C21 1.812(8) . ?
S8 C22 1.770(7) . ?
S9 C27 1.788(9) . ?
S10 C28 1.787(13) . ?
S11 C29 1.788(12) . ?
C4 C3 1.3900 . ?
C4 C5 1.3900 . ?
C3 C2 1.3900 . ?
C2 C1 1.3900 . ?
C1 C6 1.3900 . ?
C1 C18 1.490(12) . ?
C6 C5 1.3900 . ?
C6 C7 1.429(12) . ?
C11 C10 1.3900 . ?
C11 C12 1.3900 . ?
C10 C9 1.3900 . ?
C9 C8 1.3900 . ?
C8 C7 1.3900 . ?
C7 C12 1.3900 . ?
C12 C13 1.498(13) . ?
C17 C16 1.3900 . ?
C17 C18 1.3900 . ?
C16 C15 1.3900 . ?
C15 C14 1.3900 . ?
C14 C13 1.3900 . ?
C13 C18 1.3900 . ?
C20 C19 1.3900 . ?
C20 C21 1.3900 . ?
C19 C19 1.500(13) 10_556 ?
C19 C24 1.3900 . ?
C24 C23 1.3900 . ?
C24 C25 1.392(2) . ?
C23 C22 1.3900 . ?
C22 C21 1.3900 . ?
C25 C25 1.425(13) 10_556 ?
C25 C26 1.391(2) . ?
C26 C27 1.390(2) . ?
C27 C27 1.412(19) 10_556 ?
C28 C29 1.390(2) . ?
C28 C33 1.39(3) 8_676 ?
C29 C30 1.390(2) . ?
C30 C31 1.390(2) . ?
C31 C32 1.411(19) 8_676 ?
C31 C32 1.390(2) . ?
C32 C31 1.41(2) 3_765 ?
C32 C33 1.390(2) . ?
C33 C28 1.39(2) 3_765 ?

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
S1 Zn1 S7 113.83(19) . . ?
S2 Zn1 S1 93.3(2) . . ?
S2 Zn1 S7 119.7(2) . . ?
S8 Zn1 S1 118.7(2) . . ?
S8 Zn1 S2 120.8(2) . . ?
S8 Zn1 S7 92.6(2) . . ?
S3 Zn2 S4 94.4(3) . . ?
S3 Zn2 S5 109.1(3) . 9_556 ?
S3 Zn2 S6 128.6(3) . 9_556 ?
S4 Zn2 S5 118.9(2) . 9_556 ?
S6 Zn2 S4 116.4(2) 9_556 . ?
S6 Zn2 S5 91.4(3) 9_556 9_556 ?
S9 Zn3 S9 90.8(2) 10_556 . ?
S10 Zn3 S9 121.59(16) . . ?
S10 Zn3 S9 121.59(16) . 10_556 ?
S11 Zn3 S9 115.56(18) . 10_556 ?
S11 Zn3 S9 115.55(18) . . ?
S11 Zn3 S10 93.8(2) . . ?
C3 S1 Zn1 96.5(6) . . ?
C4 S2 Zn1 102.9(6) . . ?
C9 S3 Zn2 100.0(7) . . ?
C10 S4 Zn2 99.0(7) . . ?
C15 S5 Zn2 95.9(7) . 11_556 ?
C16 S6 Zn2 99.9(7) . 11_556 ?
C21 S7 Zn1 98.0(4) . . ?
C22 S8 Zn1 102.4(5) . . ?
C27 S9 Zn3 93.7(4) . . ?
C28 S10 Zn3 95.8(8) . . ?
C29 S11 Zn3 101.9(7) . . ?
C3 C4 S2 117.9(12) . . ?
C3 C4 C5 120.0 . . ?
C5 C4 S2 122.1(12) . . ?
C4 C3 S1 129.3(12) . . ?
C2 C3 S1 110.7(12) . . ?
C2 C3 C4 120.0 . . ?
C1 C2 C3 120.0 . . ?
C2 C1 C6 120.0 . . ?
C2 C1 C18 123.2(17) . . ?
C6 C1 C18 116.8(17) . . ?
C1 C6 C5 120.0 . . ?
C1 C6 C7 124.2(17) . . ?
C5 C6 C7 115.8(17) . . ?
C6 C5 C4 120.0 . . ?
C10 C11 C12 120.0 . . ?
C11 C10 S4 117.9(12) . . ?
C9 C10 S4 122.1(12) . . ?
C9 C10 C11 120.0 . . ?
C10 C9 S3 124.6(12) . . ?
C8 C9 S3 115.4(12) . . ?
C8 C9 C10 120.0 . . ?
C9 C8 C7 120.0 . . ?
C8 C7 C6 122.7(17) . . ?
C8 C7 C12 120.0 . . ?
C12 C7 C6 117.3(17) . . ?
C11 C12 C13 116.8(17) . . ?
C7 C12 C11 120.0 . . ?
C7 C12 C13 123.2(17) . . ?
C16 C17 C18 120.0 . . ?
C17 C16 S6 118.2(12) . . ?
C17 C16 C15 120.0 . . ?
C15 C16 S6 121.8(12) . . ?
C16 C15 S5 124.2(13) . . ?
C14 C15 S5 115.8(13) . . ?
C14 C15 C16 120.0 . . ?
C15 C14 C13 120.0 . . ?
C14 C13 C12 124.0(17) . . ?
C18 C13 C12 116.0(17) . . ?
C18 C13 C14 120.0 . . ?
C17 C18 C1 117.5(17) . . ?
C13 C18 C1 122.5(17) . . ?
C13 C18 C17 120.0 . . ?
C19 C20 C21 120.0 . . ?
C20 C19 C19 119.4 . 10_556 ?
C20 C19 C24 120.0 . . ?
C24 C19 C19 120.5 . 10_556 ?
C19 C24 C25 117.2(9) . . ?
C23 C24 C19 120.0 . . ?
C23 C24 C25 122.8(9) . . ?
C22 C23 C24 120.0 . . ?
C23 C22 S8 116.8(8) . . ?
C23 C22 C21 120.0 . . ?
C21 C22 S8 123.0(8) . . ?
C20 C21 S7 116.4(8) . . ?
C22 C21 S7 123.6(8) . . ?
C22 C21 C20 120.0 . . ?
C24 C25 C25 122.2(6) . 10_556 ?
C26 C25 C24 121.7(8) . . ?
C26 C25 C25 116.1(6) . 10_556 ?
C27 C26 C25 127.5(10) . . ?
C26 C27 S9 120.3(7) . . ?
C26 C27 C27 116.4(6) . 10_556 ?
C27 C27 S9 123.3(4) 10_556 . ?
C29 C28 S10 131.6(19) . . ?
C29 C28 C33 112.2(15) . 8_676 ?
C33 C28 S10 116.2(16) 8_676 . ?
C28 C29 S11 117.0(17) . . ?
C30 C29 S11 118.2(15) . . ?
C30 C29 C28 124.8(15) . . ?
C31 C30 C29 119(2) . . ?
C30 C31 C32 120(3) . 8_676 ?
C30 C31 C32 120(3) . . ?
C32 C31 C32 121(3) . 8_676 ?
C31 C32 C31 119(3) . 3_765 ?
C33 C32 C31 124(3) . . ?
C33 C32 C31 116(3) . 3_765 ?
C32 C33 C28 128(2) . 3_765 ?

_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 -0.255 -0.312 -0.220 38146.7 10302.9 ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_THETM01_b23010502ahttzn1_0ma 
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: This alert reflect that the crystal is weakly diffracting. 
After several synthetical attempts to obtain better crystals, this 
was the best crystal that we could obtain.
;
_vrf_PLAT029_b23010502ahttzn1_0ma 
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.879 Why?  
RESPONSE: Because cryatal specimen was decaying fast,and this is related to the 
data set quality since the crystal was poorly diffracting at high angle.
;
_vrf_PLAT242_b23010502ahttzn1_0ma 
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        C10 Check 
RESPONSE: We made several attempts to obtain better quality data set for this 
compound however, due to solvent disorder and the bad quality of the crystals 
the weighted R factor value could not be lowered. Anyway, there is no doubt 
about the metal-ligand network structure.
;
_vrf_PLAT341_b23010502ahttzn1_0ma 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.01967 Ang.  
RESPONSE: Due to the large amount of disorcered EDA solvents.
;
_vrf_PLAT410_b23010502ahttzn1_0ma 
;
PROBLEM: Short Intra H...H Contact  H5       ..H8       .       1.82 Ang.  
RESPONSE: Because of the large amount of disorcered EDA solvents.
;
_vrf_PLAT911_b23010502ahttzn1_0ma 
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.361        728 Report
RESPONSE: Due to low quality of the crystal.
;
# end Validation Reply Form
_chemical_properties_physical    Air-sensitive
