# Supplementary Information (SI) for Dalton Transactions.
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2532956'
loop_
_audit_author_name
_audit_author_address
'Dorota Glosz'
;Jagiellonian University
Poland
;
_audit_update_record             
;
2026-02-24 deposited with the CCDC.	2026-04-13 downloaded from the CCDC.
;
_audit_creation_date             2025-09-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            1
_chemical_name_systematic        '[1,4-nap(PMePh2)2][Pt(CN)2(Me-phpy)][I]?2MeCN'
_chemical_formula_moiety         'C14 H10 N3 Pt, I, C36 H32 P2, 2(C2 H3 N)'
_chemical_formula_sum            'C54 H48 I N5 P2 Pt'
_chemical_formula_weight         1150.90
_chemical_absolute_configuration ?
_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'
I I -0.4742 1.8119 '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'
P P 0.1023 0.0942 '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           9
_space_group_name_H-M_alt        'C 1 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'

_cell_length_a                   13.9278(11)
_cell_length_b                   13.0752(10)
_cell_length_c                   26.608(2)
_cell_angle_alpha                90
_cell_angle_beta                 99.948(3)
_cell_angle_gamma                90
_cell_volume                     4772.7(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9800
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      26.322
_cell_measurement_theta_min      2.199
_shelx_estimated_absorpt_T_max   0.897
_shelx_estimated_absorpt_T_min   0.709
_exptl_absorpt_coefficient_mu    3.696
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0974 before and 0.0551 after correction.
The Ratio of minimum to maximum transmission is 0.8917.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_unetI/netI     0.0332
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            39746
_diffrn_reflns_point_group_measured_fraction_full 0.946
_diffrn_reflns_point_group_measured_fraction_max 0.946
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.199
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 Venture Photon III'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.896
_reflns_Friedel_fraction_full    0.895
_reflns_Friedel_fraction_max     0.895
_reflns_number_gt                7908
_reflns_number_total             8001
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_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 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.952
_refine_diff_density_min         -0.354
_refine_diff_density_rms         0.079
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.458(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     574
_refine_ls_number_reflns         8001
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0232
_refine_ls_R_factor_gt           0.0228
_refine_ls_restrained_S_all      1.074
_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)+(0.0259P)²+2.7205P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0508
_refine_ls_wR_factor_ref         0.0510
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.542(5)
 0.458(5)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C00B(H00B), C00C(H00C), C00F(H00F), C00L(H00L), C00N(H00N), C00P(H00P),
 C00Q(H00Q), C00R(H00R), C00T(H00T), C00U(H00U), C00V(H00V), C00Y(H00Y),
 C010(H010), C011(H011), C012(H012), C013(H013), C014(H014), C016(H016),
 C017(H017), C018(H018), C019(H019), C01A(H01D), C01B(H01N), C01C(H01E),
 C01E(H01F), C01F(H01G), C01G(H01H), C01I(H01I), C01J(H01J), C01K(H01K),
 C01L(H01L), C01M(H01M), C01O(H01O)
3.b Idealised Me refined as rotating group:
 C00W(H00G,H00H,H00I), C00Z(H00A,H00D,H00E), C015(H01A,H01B,H01C), C01S(H01P,
 H01Q,H01R), C2(H2A,H2B,H2C)
;
_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
Pt1 Pt 0.84729(2) 0.94067(2) 0.61473(2) 0.01583(6) Uani 1 1 d . . . . .
I1 I 0.66970(3) 0.38582(3) 0.38935(2) 0.02694(11) Uani 1 1 d . . . . .
P2 P 0.27649(11) 0.26602(12) 0.38470(6) 0.0160(3) Uani 1 1 d . . . . .
P1 P 0.66057(12) 0.29717(12) 0.55555(6) 0.0154(3) Uani 1 1 d . . . . .
N3 N 0.9409(4) 1.0131(4) 0.6727(2) 0.0175(11) Uani 1 1 d . . . . .
C2 C 0.7660(4) 0.8822(4) 0.5553(2) 0.0075(11) Uani 1 1 d . . . . .
C19 C 0.5139(5) 0.1822(5) 0.4931(2) 0.0151(13) Uani 1 1 d . . . . .
N2 N 0.7200(4) 0.8461(4) 0.5193(2) 0.0261(13) Uani 1 1 d . . . . .
C7 C 0.9973(5) 1.0884(5) 0.6568(3) 0.0195(14) Uani 1 1 d . . . . .
C1 C 0.7902(5) 0.8481(5) 0.6639(2) 0.0201(14) Uani 1 1 d . . . . .
C32 C 0.7185(5) 0.1871(5) 0.6449(2) 0.0217(14) Uani 1 1 d . . . . .
H32 H 0.777521 0.174103 0.632771 0.026 Uiso 1 1 calc R U . . .
C28 C 0.7827(5) 0.6153(5) 0.5929(2) 0.0219(14) Uani 1 1 d . . . . .
H28 H 0.813631 0.679251 0.601510 0.026 Uiso 1 1 calc R U . . .
C13 C 0.9113(5) 1.0395(4) 0.5724(2) 0.0165(13) Uani 1 1 d . . . . .
N4 N 0.9089(5) 0.3423(5) 0.6311(3) 0.0363(16) Uani 1 1 d . . . . .
C3 C 0.9496(5) 0.9925(5) 0.7226(2) 0.0215(14) Uani 1 1 d . . . . .
H3 H 0.910704 0.939549 0.732983 0.026 Uiso 1 1 calc R U . . .
C8 C 0.9838(4) 1.1028(5) 0.6015(2) 0.0187(13) Uani 1 1 d . . . . .
C11 C 0.9459(5) 1.1260(5) 0.4951(3) 0.0222(15) Uani 1 1 d . . . . .
C18 C 0.5517(4) 0.2823(5) 0.5087(2) 0.0154(13) Uani 1 1 d . . . . .
C20 C 0.4313(4) 0.1746(5) 0.4528(2) 0.0181(13) Uani 1 1 d . . . . .
C31 C 0.6435(4) 0.2404(5) 0.6148(2) 0.0172(13) Uani 1 1 d . . . . .
C30 C 0.7005(5) 0.4676(5) 0.6176(2) 0.0194(14) Uani 1 1 d . . . . .
H30 H 0.673706 0.430284 0.642508 0.023 Uiso 1 1 calc R U . . .
C38 C 0.2401(4) 0.3956(5) 0.3683(2) 0.0172(13) Uani 1 1 d . . . . .
C36 C 0.5559(5) 0.2591(5) 0.6324(2) 0.0213(14) Uani 1 1 d . . . . .
H36 H 0.504777 0.295540 0.611690 0.026 Uiso 1 1 calc R U . . .
C44 C 0.3005(4) 0.2010(4) 0.3289(2) 0.0169(13) Uani 1 1 d . . . . .
C33 C 0.7068(5) 0.1532(6) 0.6926(3) 0.0263(16) Uani 1 1 d . . . . .
H33 H 0.758100 0.116960 0.713314 0.032 Uiso 1 1 calc R U . . .
C6 C 1.0613(5) 1.1440(5) 0.6929(3) 0.0234(15) Uani 1 1 d . . . . .
H6 H 1.099894 1.196936 0.682165 0.028 Uiso 1 1 calc R U . . .
C17 C 0.5098(5) 0.3679(5) 0.4855(2) 0.0164(13) Uani 1 1 d . . . . .
H17 H 0.536709 0.433085 0.495399 0.020 Uiso 1 1 calc R U . . .
C15 C 0.3877(4) 0.2684(5) 0.4313(2) 0.0157(13) Uani 1 1 d . . . . .
C45 C 0.3907(5) 0.2140(5) 0.3135(2) 0.0240(15) Uani 1 1 d . . . . .
H45 H 0.440016 0.254416 0.333281 0.029 Uiso 1 1 calc R U . . .
C29 C 0.7449(5) 0.5611(5) 0.6298(3) 0.0206(14) Uani 1 1 d . . . . .
H29 H 0.749545 0.587922 0.663338 0.025 Uiso 1 1 calc R U . . .
C9 C 1.0361(5) 1.1725(5) 0.5778(3) 0.0220(14) Uani 1 1 d . . . . .
H9 H 1.084559 1.213713 0.597623 0.026 Uiso 1 1 calc R U . . .
C14 C 0.9257(6) 1.1397(6) 0.4382(3) 0.0318(17) Uani 1 1 d . . . . .
H14b H 0.931859 1.212166 0.429894 0.048 Uiso 1 1 calc R U . . .
H14c H 0.859486 1.116209 0.424638 0.048 Uiso 1 1 calc R U . . .
H14a H 0.972697 1.099607 0.422877 0.048 Uiso 1 1 calc R U . . .
N1 N 0.7604(5) 0.7991(5) 0.6932(2) 0.0324(14) Uani 1 1 d . . . . .
C10 C 1.0181(5) 1.1821(5) 0.5256(3) 0.0212(15) Uani 1 1 d . . . . .
H10 H 1.056252 1.228536 0.509891 0.025 Uiso 1 1 calc R U . . .
C37 C 0.7576(5) 0.2387(5) 0.5297(2) 0.0216(14) Uani 1 1 d . . . . .
H37c H 0.746777 0.164708 0.526932 0.032 Uiso 1 1 calc R U . . .
H37a H 0.819762 0.252359 0.552140 0.032 Uiso 1 1 calc R U . . .
H37b H 0.759348 0.267066 0.495736 0.032 Uiso 1 1 calc R U . . .
C40 C 0.1521(5) 0.5463(5) 0.3849(3) 0.0269(16) Uani 1 1 d . . . . .
H40 H 0.111689 0.581443 0.404544 0.032 Uiso 1 1 calc R U . . .
C4 C 1.0123(5) 1.0444(5) 0.7593(3) 0.0239(15) Uani 1 1 d . . . . .
H4 H 1.017013 1.027465 0.794377 0.029 Uiso 1 1 calc R U . . .
C22 C 0.4398(5) -0.0097(5) 0.4573(3) 0.0240(15) Uani 1 1 d . . . . .
H22 H 0.415333 -0.074599 0.445177 0.029 Uiso 1 1 calc R U . . .
C23 C 0.5196(5) -0.0043(6) 0.4974(3) 0.0260(16) Uani 1 1 d . . . . .
H23 H 0.548812 -0.065117 0.512489 0.031 Uiso 1 1 calc R U . . .
C21 C 0.3968(5) 0.0776(4) 0.4353(3) 0.0182(13) Uani 1 1 d . . . . .
H21 H 0.343137 0.072418 0.407953 0.022 Uiso 1 1 calc R U . . .
C50 C 0.1814(5) 0.2043(5) 0.4102(3) 0.0204(14) Uani 1 1 d . . . . .
H50c H 0.177290 0.233559 0.443702 0.031 Uiso 1 1 calc R U . . .
H50a H 0.195252 0.130970 0.413857 0.031 Uiso 1 1 calc R U . . .
H50b H 0.119229 0.214552 0.387129 0.031 Uiso 1 1 calc R U . . .
C27 C 0.7762(5) 0.5783(5) 0.5441(3) 0.0253(15) Uani 1 1 d . . . . .
H27 H 0.801181 0.617224 0.519128 0.030 Uiso 1 1 calc R U . . .
C5 C 1.0686(5) 1.1223(5) 0.7440(3) 0.0262(16) Uani 1 1 d . . . . .
H5 H 1.111804 1.160320 0.768672 0.031 Uiso 1 1 calc R U . . .
C16 C 0.4270(4) 0.3610(5) 0.4467(2) 0.0174(13) Uani 1 1 d . . . . .
H16 H 0.398118 0.421618 0.431296 0.021 Uiso 1 1 calc R U . . .
C24 C 0.5547(5) 0.0894(5) 0.5145(3) 0.0238(15) Uani 1 1 d . . . . .
H24 H 0.608604 0.092331 0.541761 0.029 Uiso 1 1 calc R U . . .
C46 C 0.4074(5) 0.1671(6) 0.2692(3) 0.0307(16) Uani 1 1 d . . . . .
H46 H 0.468581 0.175448 0.258563 0.037 Uiso 1 1 calc R U . . .
C12 C 0.8950(5) 1.0547(4) 0.5192(3) 0.0189(14) Uani 1 1 d . . . . .
H12 H 0.846725 1.014273 0.498630 0.023 Uiso 1 1 calc R U . . .
C41 C 0.1807(5) 0.5946(5) 0.3428(3) 0.0276(16) Uani 1 1 d . . . . .
H41 H 0.160766 0.662824 0.334346 0.033 Uiso 1 1 calc R U . . .
C25 C 0.6951(4) 0.4279(5) 0.5679(2) 0.0160(13) Uani 1 1 d . . . . .
C35 C 0.5444(5) 0.2245(5) 0.6797(3) 0.0283(16) Uani 1 1 d . . . . .
H35 H 0.484852 0.236303 0.691660 0.034 Uiso 1 1 calc R U . . .
C49 C 0.2277(5) 0.1414(5) 0.3001(2) 0.0195(13) Uani 1 1 d . . . . .
H49 H 0.166049 0.133622 0.310259 0.023 Uiso 1 1 calc R U . . .
C48 C 0.2471(5) 0.0939(5) 0.2563(3) 0.0251(15) Uani 1 1 d . . . . .
H48 H 0.199128 0.051061 0.237117 0.030 Uiso 1 1 calc R U . . .
N5 N -0.0113(6) 0.2090(7) 0.3115(3) 0.055(2) Uani 1 1 d . . . . .
C43 C 0.2693(5) 0.4427(5) 0.3267(3) 0.0221(14) Uani 1 1 d . . . . .
H43 H 0.310078 0.407468 0.307312 0.026 Uiso 1 1 calc R U . . .
C47 C 0.3358(5) 0.1082(5) 0.2402(3) 0.0284(16) Uani 1 1 d . . . . .
H47 H 0.347348 0.077734 0.209410 0.034 Uiso 1 1 calc R U . . .
C26 C 0.7332(5) 0.4844(5) 0.5315(2) 0.0211(14) Uani 1 1 d . . . . .
H26 H 0.729547 0.458320 0.497916 0.025 Uiso 1 1 calc R U . . .
C42 C 0.2381(6) 0.5429(5) 0.3136(3) 0.0287(16) Uani 1 1 d . . . . .
H42 H 0.256425 0.575062 0.284672 0.034 Uiso 1 1 calc R U . . .
C39 C 0.1823(5) 0.4481(5) 0.3978(3) 0.0240(15) Uani 1 1 d . . . . .
H39 H 0.163834 0.415996 0.426719 0.029 Uiso 1 1 calc R U . . .
C51 C 0.9757(5) 0.3927(6) 0.6318(3) 0.0268(16) Uani 1 1 d . . . . .
C34 C 0.6203(6) 0.1719(6) 0.7104(3) 0.0284(17) Uani 1 1 d . . . . .
H34 H 0.612777 0.149015 0.743425 0.034 Uiso 1 1 calc R U . . .
C53 C -0.0672(6) 0.2730(7) 0.3043(3) 0.0344(18) Uani 1 1 d . . . . .
C52 C 1.0612(7) 0.4551(6) 0.6337(4) 0.046(2) Uani 1 1 d . . . . .
H52c H 1.096759 0.433928 0.606770 0.068 Uiso 1 1 calc R U . . .
H52b H 1.103181 0.447003 0.667059 0.068 Uiso 1 1 calc R U . . .
H52a H 1.041873 0.526979 0.628747 0.068 Uiso 1 1 calc R U . . .
C54 C -0.1407(8) 0.3516(8) 0.2948(4) 0.058(3) Uani 1 1 d . . . . .
H54a H -0.177514 0.344012 0.260138 0.087 Uiso 1 1 calc R U . . .
H54b H -0.109508 0.418982 0.298394 0.087 Uiso 1 1 calc R U . . .
H54c H -0.185199 0.345164 0.319454 0.087 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 N3 2.069(5) . ?
Pt1 C2 1.937(6) . ?
Pt1 C1 2.042(7) . ?
Pt1 C13 2.020(6) . ?
P2 C38 1.801(6) . ?
P2 C44 1.792(6) . ?
P2 C15 1.809(6) . ?
P2 C50 1.783(6) . ?
P1 C18 1.800(6) . ?
P1 C31 1.795(6) . ?
P1 C37 1.791(6) . ?
P1 C25 1.791(6) . ?
N3 C7 1.371(8) . ?
N3 C3 1.339(8) . ?
C2 N2 1.157(8) . ?
C19 C18 1.446(8) . ?
C19 C20 1.435(9) . ?
C19 C24 1.417(9) . ?
C7 C8 1.463(9) . ?
C7 C6 1.397(9) . ?
C1 N1 1.140(8) . ?
C32 H32 0.9500 . ?
C32 C31 1.389(9) . ?
C32 C33 1.379(10) . ?
C28 H28 0.9500 . ?
C28 C29 1.387(9) . ?
C28 C27 1.373(9) . ?
C13 C8 1.426(9) . ?
C13 C12 1.410(9) . ?
N4 C51 1.138(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.373(9) . ?
C8 C9 1.386(9) . ?
C11 C14 1.503(10) . ?
C11 C10 1.387(10) . ?
C11 C12 1.392(9) . ?
C18 C17 1.360(9) . ?
C20 C15 1.442(8) . ?
C20 C21 1.408(9) . ?
C31 C36 1.401(8) . ?
C30 H30 0.9500 . ?
C30 C29 1.383(9) . ?
C30 C25 1.411(9) . ?
C38 C43 1.387(9) . ?
C38 C39 1.397(9) . ?
C36 H36 0.9500 . ?
C36 C35 1.374(9) . ?
C44 C45 1.398(9) . ?
C44 C49 1.397(9) . ?
C33 H33 0.9500 . ?
C33 C34 1.391(10) . ?
C6 H6 0.9500 . ?
C6 C5 1.376(10) . ?
C17 H17 0.9500 . ?
C17 C16 1.411(9) . ?
C15 C16 1.362(9) . ?
C45 H45 0.9500 . ?
C45 C46 1.383(9) . ?
C29 H29 0.9500 . ?
C9 H9 0.9500 . ?
C9 C10 1.373(9) . ?
C14 H14b 0.9800 . ?
C14 H14c 0.9800 . ?
C14 H14a 0.9800 . ?
C10 H10 0.9500 . ?
C37 H37c 0.9800 . ?
C37 H37a 0.9800 . ?
C37 H37b 0.9800 . ?
C40 H40 0.9500 . ?
C40 C41 1.403(10) . ?
C40 C39 1.376(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.389(10) . ?
C22 H22 0.9500 . ?
C22 C23 1.403(10) . ?
C22 C21 1.372(9) . ?
C23 H23 0.9500 . ?
C23 C24 1.368(10) . ?
C21 H21 0.9500 . ?
C50 H50c 0.9800 . ?
C50 H50a 0.9800 . ?
C50 H50b 0.9800 . ?
C27 H27 0.9500 . ?
C27 C26 1.382(9) . ?
C5 H5 0.9500 . ?
C16 H16 0.9500 . ?
C24 H24 0.9500 . ?
C46 H46 0.9500 . ?
C46 C47 1.384(10) . ?
C12 H12 0.9500 . ?
C41 H41 0.9500 . ?
C41 C42 1.384(10) . ?
C25 C26 1.393(9) . ?
C35 H35 0.9500 . ?
C35 C34 1.400(10) . ?
C49 H49 0.9500 . ?
C49 C48 1.387(9) . ?
C48 H48 0.9500 . ?
C48 C47 1.388(10) . ?
N5 C53 1.136(10) . ?
C43 H43 0.9500 . ?
C43 C42 1.405(9) . ?
C47 H47 0.9500 . ?
C26 H26 0.9500 . ?
C42 H42 0.9500 . ?
C39 H39 0.9500 . ?
C51 C52 1.436(11) . ?
C34 H34 0.9500 . ?
C53 C54 1.442(12) . ?
C52 H52c 0.9800 . ?
C52 H52b 0.9800 . ?
C52 H52a 0.9800 . ?
C54 H54a 0.9800 . ?
C54 H54b 0.9800 . ?
C54 H54c 0.9800 . ?

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
C2 Pt1 N3 173.7(2) . . ?
C2 Pt1 C1 93.0(2) . . ?
C2 Pt1 C13 92.8(2) . . ?
C1 Pt1 N3 93.4(2) . . ?
C13 Pt1 N3 80.8(2) . . ?
C13 Pt1 C1 174.2(3) . . ?
C38 P2 C15 108.8(3) . . ?
C44 P2 C38 109.3(3) . . ?
C44 P2 C15 108.4(3) . . ?
C50 P2 C38 108.7(3) . . ?
C50 P2 C44 111.0(3) . . ?
C50 P2 C15 110.6(3) . . ?
C31 P1 C18 109.9(3) . . ?
C37 P1 C18 106.8(3) . . ?
C37 P1 C31 112.6(3) . . ?
C37 P1 C25 106.3(3) . . ?
C25 P1 C18 113.4(3) . . ?
C25 P1 C31 107.8(3) . . ?
C7 N3 Pt1 114.8(4) . . ?
C3 N3 Pt1 125.8(4) . . ?
C3 N3 C7 119.4(6) . . ?
N2 C2 Pt1 177.8(5) . . ?
C20 C19 C18 118.8(5) . . ?
C24 C19 C18 124.1(6) . . ?
C24 C19 C20 117.1(6) . . ?
N3 C7 C8 114.9(6) . . ?
N3 C7 C6 119.6(6) . . ?
C6 C7 C8 125.5(6) . . ?
N1 C1 Pt1 176.8(6) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 H32 120.1 . . ?
C33 C32 C31 119.8(6) . . ?
C29 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C27 C28 C29 121.2(6) . . ?
C8 C13 Pt1 114.0(5) . . ?
C12 C13 Pt1 129.8(5) . . ?
C12 C13 C8 116.1(6) . . ?
N3 C3 H3 118.5 . . ?
N3 C3 C4 123.0(6) . . ?
C4 C3 H3 118.5 . . ?
C13 C8 C7 115.3(6) . . ?
C9 C8 C7 123.9(6) . . ?
C9 C8 C13 120.8(6) . . ?
C10 C11 C14 121.1(6) . . ?
C10 C11 C12 117.4(6) . . ?
C12 C11 C14 121.4(6) . . ?
C19 C18 P1 121.2(5) . . ?
C17 C18 P1 118.1(5) . . ?
C17 C18 C19 120.6(6) . . ?
C19 C20 C15 117.8(6) . . ?
C21 C20 C19 119.6(6) . . ?
C21 C20 C15 122.6(6) . . ?
C32 C31 P1 120.9(5) . . ?
C32 C31 C36 120.3(6) . . ?
C36 C31 P1 118.5(5) . . ?
C29 C30 H30 120.2 . . ?
C29 C30 C25 119.7(6) . . ?
C25 C30 H30 120.2 . . ?
C43 C38 P2 120.1(5) . . ?
C43 C38 C39 120.5(6) . . ?
C39 C38 P2 119.4(5) . . ?
C31 C36 H36 120.1 . . ?
C35 C36 C31 119.7(6) . . ?
C35 C36 H36 120.1 . . ?
C45 C44 P2 119.3(5) . . ?
C49 C44 P2 119.9(5) . . ?
C49 C44 C45 120.7(6) . . ?
C32 C33 H33 119.9 . . ?
C32 C33 C34 120.2(7) . . ?
C34 C33 H33 119.9 . . ?
C7 C6 H6 119.9 . . ?
C5 C6 C7 120.1(7) . . ?
C5 C6 H6 119.9 . . ?
C18 C17 H17 119.6 . . ?
C18 C17 C16 120.8(6) . . ?
C16 C17 H17 119.6 . . ?
C20 C15 P2 120.6(5) . . ?
C16 C15 P2 118.3(5) . . ?
C16 C15 C20 121.1(6) . . ?
C44 C45 H45 120.4 . . ?
C46 C45 C44 119.1(6) . . ?
C46 C45 H45 120.4 . . ?
C28 C29 H29 120.2 . . ?
C30 C29 C28 119.6(6) . . ?
C30 C29 H29 120.2 . . ?
C8 C9 H9 119.9 . . ?
C10 C9 C8 120.2(6) . . ?
C10 C9 H9 119.9 . . ?
C11 C14 H14b 109.5 . . ?
C11 C14 H14c 109.5 . . ?
C11 C14 H14a 109.5 . . ?
H14b C14 H14c 109.5 . . ?
H14b C14 H14a 109.5 . . ?
H14c C14 H14a 109.5 . . ?
C11 C10 H10 119.0 . . ?
C9 C10 C11 122.0(7) . . ?
C9 C10 H10 119.0 . . ?
P1 C37 H37c 109.5 . . ?
P1 C37 H37a 109.5 . . ?
P1 C37 H37b 109.5 . . ?
H37c C37 H37a 109.5 . . ?
H37c C37 H37b 109.5 . . ?
H37a C37 H37b 109.5 . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C39 C40 C41 120.2(7) . . ?
C3 C4 H4 120.8 . . ?
C3 C4 C5 118.4(6) . . ?
C5 C4 H4 120.8 . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C21 C22 C23 120.9(6) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 C22 119.3(7) . . ?
C24 C23 H23 120.4 . . ?
C20 C21 H21 119.7 . . ?
C22 C21 C20 120.6(6) . . ?
C22 C21 H21 119.7 . . ?
P2 C50 H50c 109.5 . . ?
P2 C50 H50a 109.5 . . ?
P2 C50 H50b 109.5 . . ?
H50c C50 H50a 109.5 . . ?
H50c C50 H50b 109.5 . . ?
H50a C50 H50b 109.5 . . ?
C28 C27 H27 120.1 . . ?
C28 C27 C26 119.9(6) . . ?
C26 C27 H27 120.1 . . ?
C6 C5 C4 119.5(6) . . ?
C6 C5 H5 120.3 . . ?
C4 C5 H5 120.3 . . ?
C17 C16 H16 119.6 . . ?
C15 C16 C17 120.8(6) . . ?
C15 C16 H16 119.6 . . ?
C19 C24 H24 118.7 . . ?
C23 C24 C19 122.5(7) . . ?
C23 C24 H24 118.7 . . ?
C45 C46 H46 119.6 . . ?
C45 C46 C47 120.7(7) . . ?
C47 C46 H46 119.6 . . ?
C13 C12 H12 118.3 . . ?
C11 C12 C13 123.4(6) . . ?
C11 C12 H12 118.3 . . ?
C40 C41 H41 120.0 . . ?
C42 C41 C40 120.0(6) . . ?
C42 C41 H41 120.0 . . ?
C30 C25 P1 119.4(5) . . ?
C26 C25 P1 120.1(5) . . ?
C26 C25 C30 119.4(6) . . ?
C36 C35 H35 120.0 . . ?
C36 C35 C34 120.0(6) . . ?
C34 C35 H35 120.0 . . ?
C44 C49 H49 120.6 . . ?
C48 C49 C44 118.9(6) . . ?
C48 C49 H49 120.6 . . ?
C49 C48 H48 119.6 . . ?
C49 C48 C47 120.7(6) . . ?
C47 C48 H48 119.6 . . ?
C38 C43 H43 120.3 . . ?
C38 C43 C42 119.4(6) . . ?
C42 C43 H43 120.3 . . ?
C46 C47 C48 119.8(6) . . ?
C46 C47 H47 120.1 . . ?
C48 C47 H47 120.1 . . ?
C27 C26 C25 120.2(6) . . ?
C27 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C41 C42 C43 120.0(7) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 H42 120.0 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 119.9(6) . . ?
C40 C39 H39 120.0 . . ?
N4 C51 C52 178.6(9) . . ?
C33 C34 C35 119.9(7) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
N5 C53 C54 177.9(10) . . ?
C51 C52 H52c 109.5 . . ?
C51 C52 H52b 109.5 . . ?
C51 C52 H52a 109.5 . . ?
H52c C52 H52b 109.5 . . ?
H52c C52 H52a 109.5 . . ?
H52b C52 H52a 109.5 . . ?
C53 C54 H54a 109.5 . . ?
C53 C54 H54b 109.5 . . ?
C53 C54 H54c 109.5 . . ?
H54a C54 H54b 109.5 . . ?
H54a C54 H54c 109.5 . . ?
H54b C54 H54c 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 N3 C7 C8 -1.6(7) . . . . ?
Pt1 N3 C7 C6 178.4(5) . . . . ?
Pt1 N3 C3 C4 -179.0(5) . . . . ?
Pt1 C13 C8 C7 -2.0(7) . . . . ?
Pt1 C13 C8 C9 178.2(5) . . . . ?
Pt1 C13 C12 C11 -179.5(5) . . . . ?
P2 C38 C43 C42 178.3(5) . . . . ?
P2 C38 C39 C40 -178.4(5) . . . . ?
P2 C44 C45 C46 -177.2(5) . . . . ?
P2 C44 C49 C48 178.4(5) . . . . ?
P2 C15 C16 C17 175.7(5) . . . . ?
P1 C18 C17 C16 177.1(5) . . . . ?
P1 C31 C36 C35 -174.0(5) . . . . ?
P1 C25 C26 C27 -168.2(5) . . . . ?
N3 C7 C8 C13 2.4(8) . . . . ?
N3 C7 C8 C9 -177.8(6) . . . . ?
N3 C7 C6 C5 0.9(9) . . . . ?
N3 C3 C4 C5 0.5(10) . . . . ?
C19 C18 C17 C16 1.9(9) . . . . ?
C19 C20 C15 P2 -174.0(4) . . . . ?
C19 C20 C15 C16 3.6(9) . . . . ?
C19 C20 C21 C22 1.6(9) . . . . ?
C7 N3 C3 C4 0.8(9) . . . . ?
C7 C8 C9 C10 -179.2(6) . . . . ?
C7 C6 C5 C4 0.4(10) . . . . ?
C32 C31 C36 C35 0.0(10) . . . . ?
C32 C33 C34 C35 0.6(11) . . . . ?
C28 C27 C26 C25 1.0(10) . . . . ?
C13 C8 C9 C10 0.6(9) . . . . ?
C3 N3 C7 C8 178.5(5) . . . . ?
C3 N3 C7 C6 -1.5(9) . . . . ?
C3 C4 C5 C6 -1.1(10) . . . . ?
C8 C7 C6 C5 -179.1(6) . . . . ?
C8 C13 C12 C11 0.6(9) . . . . ?
C8 C9 C10 C11 2.2(10) . . . . ?
C18 P1 C31 C32 141.4(5) . . . . ?
C18 P1 C31 C36 -44.6(6) . . . . ?
C18 P1 C25 C30 119.7(5) . . . . ?
C18 P1 C25 C26 -71.9(6) . . . . ?
C18 C19 C20 C15 -2.5(8) . . . . ?
C18 C19 C20 C21 176.6(6) . . . . ?
C18 C19 C24 C23 -177.2(6) . . . . ?
C18 C17 C16 C15 -0.9(10) . . . . ?
C20 C19 C18 P1 -175.2(4) . . . . ?
C20 C19 C18 C17 -0.1(9) . . . . ?
C20 C19 C24 C23 1.4(10) . . . . ?
C20 C15 C16 C17 -1.9(9) . . . . ?
C31 P1 C18 C19 -60.5(6) . . . . ?
C31 P1 C18 C17 124.3(5) . . . . ?
C31 P1 C25 C30 -2.2(6) . . . . ?
C31 P1 C25 C26 166.2(5) . . . . ?
C31 C32 C33 C34 0.2(11) . . . . ?
C31 C36 C35 C34 0.8(10) . . . . ?
C30 C25 C26 C27 0.3(10) . . . . ?
C38 P2 C44 C45 81.8(6) . . . . ?
C38 P2 C44 C49 -95.6(5) . . . . ?
C38 P2 C15 C20 177.5(5) . . . . ?
C38 P2 C15 C16 -0.1(6) . . . . ?
C38 C43 C42 C41 1.6(10) . . . . ?
C36 C35 C34 C33 -1.1(11) . . . . ?
C44 P2 C38 C43 -25.2(6) . . . . ?
C44 P2 C38 C39 154.8(5) . . . . ?
C44 P2 C15 C20 -63.8(5) . . . . ?
C44 P2 C15 C16 118.7(5) . . . . ?
C44 C45 C46 C47 0.1(11) . . . . ?
C44 C49 C48 C47 -2.4(10) . . . . ?
C33 C32 C31 P1 173.4(5) . . . . ?
C33 C32 C31 C36 -0.5(10) . . . . ?
C6 C7 C8 C13 -177.6(6) . . . . ?
C6 C7 C8 C9 2.2(10) . . . . ?
C15 P2 C38 C43 93.0(5) . . . . ?
C15 P2 C38 C39 -87.1(6) . . . . ?
C15 P2 C44 C45 -36.6(6) . . . . ?
C15 P2 C44 C49 146.0(5) . . . . ?
C15 C20 C21 C22 -179.3(6) . . . . ?
C45 C44 C49 C48 1.0(10) . . . . ?
C45 C46 C47 C48 -1.5(11) . . . . ?
C29 C28 C27 C26 -1.4(10) . . . . ?
C29 C30 C25 P1 167.4(5) . . . . ?
C29 C30 C25 C26 -1.1(9) . . . . ?
C14 C11 C10 C9 178.4(6) . . . . ?
C14 C11 C12 C13 -179.9(6) . . . . ?
C10 C11 C12 C13 2.0(9) . . . . ?
C37 P1 C18 C19 61.9(6) . . . . ?
C37 P1 C18 C17 -113.2(5) . . . . ?
C37 P1 C31 C32 22.5(6) . . . . ?
C37 P1 C31 C36 -163.5(5) . . . . ?
C37 P1 C25 C30 -123.2(5) . . . . ?
C37 P1 C25 C26 45.2(6) . . . . ?
C40 C41 C42 C43 -1.3(11) . . . . ?
C22 C23 C24 C19 -0.2(10) . . . . ?
C23 C22 C21 C20 -0.5(10) . . . . ?
C21 C20 C15 P2 6.9(8) . . . . ?
C21 C20 C15 C16 -175.6(6) . . . . ?
C21 C22 C23 C24 -0.2(10) . . . . ?
C50 P2 C38 C43 -146.5(5) . . . . ?
C50 P2 C38 C39 33.4(6) . . . . ?
C50 P2 C44 C45 -158.3(5) . . . . ?
C50 P2 C44 C49 24.4(6) . . . . ?
C50 P2 C15 C20 58.1(6) . . . . ?
C50 P2 C15 C16 -119.5(5) . . . . ?
C27 C28 C29 C30 0.5(10) . . . . ?
C24 C19 C18 P1 3.4(9) . . . . ?
C24 C19 C18 C17 178.4(6) . . . . ?
C24 C19 C20 C15 178.8(5) . . . . ?
C24 C19 C20 C21 -2.0(9) . . . . ?
C12 C13 C8 C7 177.9(5) . . . . ?
C12 C13 C8 C9 -1.9(9) . . . . ?
C12 C11 C10 C9 -3.4(10) . . . . ?
C41 C40 C39 C38 -1.2(10) . . . . ?
C25 P1 C18 C19 178.7(5) . . . . ?
C25 P1 C18 C17 3.6(6) . . . . ?
C25 P1 C31 C32 -94.5(6) . . . . ?
C25 P1 C31 C36 79.5(6) . . . . ?
C25 C30 C29 C28 0.8(10) . . . . ?
C49 C44 C45 C46 0.1(10) . . . . ?
C49 C48 C47 C46 2.7(11) . . . . ?
C43 C38 C39 C40 1.5(10) . . . . ?
C39 C38 C43 C42 -1.7(10) . . . . ?
C39 C40 C41 C42 1.1(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.542(5)
2 0.458(5)

