# Supplementary Information (SI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_mo_1105_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2382545'
loop_
_audit_author_name
_audit_author_address
'Fu Guorui'
;Northwest University
China
;
_audit_update_record             
;
2024-09-08 deposited with the CCDC.	2026-05-11 downloaded from the CCDC.
;
_audit_creation_date             2024-09-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H15 N O4 Pt'
_chemical_formula_sum            'C18 H15 N O4 Pt'
_chemical_formula_weight         504.40
_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'
Pt Pt -1.7033 8.3905 '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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.024(7)
_cell_length_b                   8.110(5)
_cell_length_c                   17.521(12)
_cell_angle_alpha                90
_cell_angle_beta                 102.19(3)
_cell_angle_gamma                90
_cell_volume                     1670.1(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2847
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      26.52
_cell_measurement_theta_min      2.31
_shelx_estimated_absorpt_T_max   0.346
_shelx_estimated_absorpt_T_min   0.227
_exptl_absorpt_coefficient_mu    8.422
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.2669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1462 before and 0.1099 after correction.
The Ratio of minimum to maximum transmission is 0.3580.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.006
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1639
_diffrn_reflns_av_unetI/netI     0.2269
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9483
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.996
_diffrn_reflns_theta_min         2.779
_diffrn_ambient_temperature      299.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1538
_reflns_number_total             3220
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         3.419
_refine_diff_density_min         -2.396
_refine_diff_density_rms         0.321
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     195
_refine_ls_number_reflns         3220
_refine_ls_number_restraints     144
_refine_ls_R_factor_all          0.1911
_refine_ls_R_factor_gt           0.0871
_refine_ls_restrained_S_all      1.025
_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)+(0.1138P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1933
_refine_ls_wR_factor_ref         0.2653
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C6) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C13) \\sim
Ueq, Uanis(Pt1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C4)
\\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C9) \\sim Ueq,
Uanis(C17) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C10)
\\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(O3) \\sim Ueq,
Uanis(C3) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(O1) \\sim Ueq, Uanis(O4) \\sim
Ueq, Uanis(C11) \\sim Ueq, Uanis(O2) \\sim Ueq: with sigma of 0.001 and sigma
for terminal atoms of 0.002
3.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C4(H4), C5(H5), C11(H11), C8(H8), C10(H10), C13(H13), C16(H16)
3.b Fitted hexagon refined as free rotating group:
 C6(N1,C3,C2,C4,C5), C12(C11,C9,C7,C8,C10)
3.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C18(H18A,H18B,H18C)
;
_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
Pt1 Pt 0.40511(8) 0.61650(8) 0.40249(5) 0.0452(4) Uani 1 1 d . U . . .
O1 O 0.076(3) 0.803(3) 0.5789(16) 0.124(8) Uani 1 1 d . U . . .
C1 C 0.163(4) 0.833(4) 0.621(2) 0.101(10) Uani 1 1 d . U . . .
H1 H 0.164616 0.868328 0.671979 0.121 Uiso 1 1 calc R U . . .
O2 O 0.845(2) 0.621(2) 0.3380(15) 0.109(8) Uani 1 1 d . U . . .
O3 O 0.4461(14) 0.5159(16) 0.3030(9) 0.049(4) Uani 1 1 d . U . . .
O4 O 0.2422(14) 0.5360(16) 0.3721(8) 0.046(4) Uani 1 1 d . U . . .
C6 C 0.4795(10) 0.7951(16) 0.5450(8) 0.040(5) Uani 1 1 d G U . . .
N1 N 0.3821(13) 0.7241(14) 0.5001(6) 0.054(5) Uani 1 1 d G U . . .
C3 C 0.2796(10) 0.7327(16) 0.5246(8) 0.051(6) Uani 1 1 d G U . . .
H3 H 0.214456 0.685229 0.494558 0.061 Uiso 1 1 calc R U . . .
C2 C 0.2744(11) 0.8123(18) 0.5940(9) 0.055(6) Uani 1 1 d G U . . .
C4 C 0.3718(14) 0.8833(17) 0.6389(7) 0.068(7) Uani 1 1 d G U . . .
H4 H 0.368309 0.936602 0.685395 0.082 Uiso 1 1 calc R U . . .
C5 C 0.4743(11) 0.8747(16) 0.6144(8) 0.058(6) Uani 1 1 d G U . . .
H5 H 0.539417 0.922222 0.644497 0.069 Uiso 1 1 calc R U . . .
C12 C 0.7613(12) 0.7231(19) 0.4387(9) 0.061(7) Uani 1 1 d G U . . .
C11 C 0.6527(14) 0.6670(16) 0.4054(7) 0.053(6) Uani 1 1 d G U . . .
H11 H 0.639957 0.609608 0.358438 0.063 Uiso 1 1 calc R U . . .
C9 C 0.5631(11) 0.6966(16) 0.4424(8) 0.030(4) Uani 1 1 d G U . . .
C7 C 0.5821(13) 0.7823(17) 0.5126(8) 0.050(6) Uani 1 1 d G U . . .
C8 C 0.6908(15) 0.8385(18) 0.5459(7) 0.071(7) Uani 1 1 d G U . . .
H8 H 0.703493 0.895882 0.592934 0.085 Uiso 1 1 calc R U . . .
C10 C 0.7804(11) 0.809(2) 0.5090(9) 0.076(8) Uani 1 1 d G U . . .
H10 H 0.853037 0.846482 0.531247 0.091 Uiso 1 1 calc R U . . .
C13 C 0.854(3) 0.689(4) 0.4035(19) 0.095(9) Uani 1 1 d . U . . .
H13 H 0.926152 0.719620 0.430332 0.114 Uiso 1 1 calc R U . . .
C14 C 0.418(2) 0.385(3) 0.1825(15) 0.061(7) Uani 1 1 d . U . . .
H14A H 0.460517 0.473408 0.166412 0.091 Uiso 1 1 calc R U . . .
H14B H 0.357095 0.353886 0.139952 0.091 Uiso 1 1 calc R U . . .
H14C H 0.467100 0.291646 0.197486 0.091 Uiso 1 1 calc R U . . .
C15 C 0.370(2) 0.438(3) 0.2497(14) 0.050(6) Uani 1 1 d . U . . .
C16 C 0.263(2) 0.408(2) 0.2523(12) 0.039(5) Uani 1 1 d . U . . .
H16 H 0.221070 0.351897 0.209356 0.047 Uiso 1 1 calc R U . . .
C17 C 0.204(2) 0.447(2) 0.3088(11) 0.035(4) Uani 1 1 d . U . . .
C18 C 0.082(2) 0.399(3) 0.3024(15) 0.056(6) Uani 1 1 d . U . . .
H18A H 0.072791 0.350908 0.350745 0.083 Uiso 1 1 calc R U . . .
H18B H 0.060496 0.320329 0.261002 0.083 Uiso 1 1 calc R U . . .
H18C H 0.034570 0.495019 0.291371 0.083 Uiso 1 1 calc R U . . .


_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
Pt1 O3 2.076(15) . ?
Pt1 O4 2.027(16) . ?
Pt1 N1 1.991(10) . ?
Pt1 C9 1.990(12) . ?
O1 C1 1.18(4) . ?
C1 H1 0.9300 . ?
C1 C2 1.52(4) . ?
O2 C13 1.26(3) . ?
O3 C15 1.32(3) . ?
O4 C17 1.32(2) . ?
C6 N1 1.3900 . ?
C6 C5 1.3900 . ?
C6 C7 1.467(16) . ?
N1 C3 1.3900 . ?
C3 H3 0.9300 . ?
C3 C2 1.3900 . ?
C2 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C5 1.3900 . ?
C5 H5 0.9300 . ?
C12 C11 1.3900 . ?
C12 C10 1.3900 . ?
C12 C13 1.41(4) . ?
C11 H11 0.9300 . ?
C11 C9 1.3900 . ?
C9 C7 1.3900 . ?
C7 C8 1.3900 . ?
C8 H8 0.9300 . ?
C8 C10 1.3900 . ?
C10 H10 0.9300 . ?
C13 H13 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C14 C15 1.48(3) . ?
C15 C16 1.32(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.37(3) . ?
C17 C18 1.50(3) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?

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
O4 Pt1 O3 92.4(6) . . ?
N1 Pt1 O3 173.9(6) . . ?
N1 Pt1 O4 93.7(6) . . ?
C9 Pt1 O3 92.6(6) . . ?
C9 Pt1 O4 174.7(6) . . ?
C9 Pt1 N1 81.4(6) . . ?
O1 C1 H1 119.8 . . ?
O1 C1 C2 120(4) . . ?
C2 C1 H1 119.8 . . ?
C15 O3 Pt1 121.9(16) . . ?
C17 O4 Pt1 122.9(14) . . ?
N1 C6 C5 120.0 . . ?
N1 C6 C7 115.4(11) . . ?
C5 C6 C7 124.6(11) . . ?
C6 N1 Pt1 114.5(8) . . ?
C6 N1 C3 120.0 . . ?
C3 N1 Pt1 125.5(8) . . ?
N1 C3 H3 120.0 . . ?
C2 C3 N1 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C2 C1 122.1(18) . . ?
C4 C2 C1 117.9(18) . . ?
C4 C2 C3 120.0 . . ?
C2 C4 H4 120.0 . . ?
C2 C4 C5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C4 C5 H5 120.0 . . ?
C11 C12 C10 120.0 . . ?
C11 C12 C13 120.7(19) . . ?
C10 C12 C13 119.2(19) . . ?
C12 C11 H11 120.0 . . ?
C12 C11 C9 120.0 . . ?
C9 C11 H11 120.0 . . ?
C11 C9 Pt1 123.8(8) . . ?
C11 C9 C7 120.0 . . ?
C7 C9 Pt1 116.2(8) . . ?
C9 C7 C6 112.5(11) . . ?
C8 C7 C6 127.4(11) . . ?
C8 C7 C9 120.0 . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C10 120.0 . . ?
C10 C8 H8 120.0 . . ?
C12 C10 H10 120.0 . . ?
C8 C10 C12 120.0 . . ?
C8 C10 H10 120.0 . . ?
O2 C13 C12 124(3) . . ?
O2 C13 H13 117.8 . . ?
C12 C13 H13 117.8 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C15 C14 H14C 109.5 . . ?
O3 C15 C14 112(2) . . ?
O3 C15 C16 127(2) . . ?
C16 C15 C14 121(2) . . ?
C15 C16 H16 115.2 . . ?
C15 C16 C17 130(2) . . ?
C17 C16 H16 115.2 . . ?
O4 C17 C16 126(2) . . ?
O4 C17 C18 111.6(19) . . ?
C16 C17 C18 122.2(19) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

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
Pt1 O3 C15 C14 177.2(13) . . . . ?
Pt1 O3 C15 C16 -3(3) . . . . ?
Pt1 O4 C17 C16 -5(3) . . . . ?
Pt1 O4 C17 C18 177.7(12) . . . . ?
Pt1 N1 C3 C2 -179.7(9) . . . . ?
Pt1 C9 C7 C6 0.9(11) . . . . ?
Pt1 C9 C7 C8 178.1(9) . . . . ?
O1 C1 C2 C3 -11(4) . . . . ?
O1 C1 C2 C4 166(3) . . . . ?
C1 C2 C4 C5 -177.1(18) . . . . ?
O3 C15 C16 C17 0(4) . . . . ?
C6 N1 C3 C2 0.0 . . . . ?
C6 C7 C8 C10 176.8(14) . . . . ?
N1 C6 C5 C4 0.0 . . . . ?
N1 C6 C7 C9 -1.4(12) . . . . ?
N1 C6 C7 C8 -178.3(8) . . . . ?
N1 C3 C2 C1 176.9(19) . . . . ?
N1 C3 C2 C4 0.0 . . . . ?
C3 C2 C4 C5 0.0 . . . . ?
C2 C4 C5 C6 0.0 . . . . ?
C5 C6 N1 Pt1 179.7(8) . . . . ?
C5 C6 N1 C3 0.0 . . . . ?
C5 C6 C7 C9 -179.8(8) . . . . ?
C5 C6 C7 C8 3.2(16) . . . . ?
C12 C11 C9 Pt1 -178.0(10) . . . . ?
C12 C11 C9 C7 0.0 . . . . ?
C11 C12 C10 C8 0.0 . . . . ?
C11 C12 C13 O2 6(4) . . . . ?
C11 C9 C7 C6 -177.2(12) . . . . ?
C11 C9 C7 C8 0.0 . . . . ?
C9 C7 C8 C10 0.0 . . . . ?
C7 C6 N1 Pt1 1.2(10) . . . . ?
C7 C6 N1 C3 -178.5(12) . . . . ?
C7 C6 C5 C4 178.4(13) . . . . ?
C7 C8 C10 C12 0.0 . . . . ?
C10 C12 C11 C9 0.0 . . . . ?
C10 C12 C13 O2 -176(2) . . . . ?
C13 C12 C11 C9 178(2) . . . . ?
C13 C12 C10 C8 -178(2) . . . . ?
C14 C15 C16 C17 180(2) . . . . ?
C15 C16 C17 O4 5(3) . . . . ?
C15 C16 C17 C18 -179(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
