# 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_04573
_database_code_depnum_ccdc_archive 'CCDC 2540427'
loop_
_audit_author_name
_audit_author_address
'Julio Fernandez Cestau'
;Universidad de La Rioja
Spain
;
_audit_update_record             
;
2026-03-24 deposited with the CCDC.	2026-05-28 downloaded from the CCDC.
;
_audit_creation_date             2025-12-02
_audit_creation_method           
;
Olex2 1.5-ac7-018
(compiled 2025.08.06 svn.rb7424aed for Rigaku Oxford Diffraction, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        'DG151 200K'
_chemical_formula_moiety         'C43 H32 N P2 Pt S, F6 P'
_chemical_formula_sum            'C43 H32 F6 N P3 Pt S'
_chemical_formula_weight         996.75
_chemical_melting_point          ?
_chemical_oxdiff_formula         C43H32NP2PtS
_chemical_oxdiff_usercomment     'DG151 200K'
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'
F F 0.0727 0.0534 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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'

_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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   16.67040(10)
_cell_length_b                   18.12470(10)
_cell_length_c                   25.4671(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7694.78(9)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    47605
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      76.9580
_cell_measurement_theta_min      2.4690
_shelx_estimated_absorpt_T_max   0.410
_shelx_estimated_absorpt_T_min   0.230
_exptl_absorpt_coefficient_mu    9.051
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.662
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.44.128a (Rigaku Oxford Diffraction, 2025)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             3920
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -1 -1 0.1076
-1 -1 1 0.0675
1 1 -1 0.0709
-1 -1 0 0.0824
1 1 0 0.0799
-1 -1 -1 0.0895
0 0 1 0.0715
0 0 -1 0.0907
-1 0 0 0.0757
1 0 0 0.0907
-1 0 1 0.0785
1 0 -1 0.0700
1 -1 1 0.0813
-1 1 -1 0.0415
-1 1 0 0.0697
1 -1 0 0.0846
0 1 -1 0.0683
0 -1 1 0.0936
-1 1 1 0.0926
1 -1 -1 0.0900
0 1 0 0.1050
0 -1 0 0.1226
1 0 -2 0.0643
2 2 1 0.0831
2 1 2 0.0796
1 0 2 0.0732
2 -1 2 0.0768
0 -1 2 0.0816

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2, Et2O'
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.0033 -0.9988 -0.9999 0.0100 0.0983 -0.0331
-0.9996 -0.9983 1.0010 0.0046 0.0749 0.1174
0.9996 0.9983 -1.0010 -0.0046 -0.0749 -0.1174
-0.9977 -0.9984 -0.0005 0.0411 0.0933 0.0728
0.9977 0.9984 0.0005 -0.0411 -0.0933 -0.0728
-0.9957 -0.9984 -1.0021 0.0777 0.1118 0.0282
-0.0019 0.0000 1.0015 -0.0366 -0.0185 0.0446
0.0019 -0.0000 -1.0015 0.0366 0.0185 -0.0446
-0.9991 0.0004 -0.0022 0.0677 0.0135 0.0613
0.9991 -0.0004 0.0022 -0.0677 -0.0135 -0.0613
-1.0010 0.0005 0.9993 0.0312 -0.0050 0.1059
1.0010 -0.0005 -0.9993 -0.0312 0.0050 -0.1059
0.9985 -0.9992 1.0054 -0.1309 0.0479 -0.0052
-0.9985 0.9992 -1.0054 0.1309 -0.0479 0.0052
-1.0004 0.9992 -0.0038 0.0943 -0.0664 0.0498
1.0004 -0.9992 0.0038 -0.0943 0.0664 -0.0498
0.0005 0.9987 -1.0032 0.0631 -0.0614 -0.0561
-0.0005 -0.9987 1.0032 -0.0631 0.0614 0.0561
-1.0024 0.9992 0.9977 0.0577 -0.0848 0.0944
1.0024 -0.9992 -0.9977 -0.0577 0.0848 -0.0944
-0.0014 0.9988 -0.0017 0.0266 -0.0799 -0.0115
0.0014 -0.9988 0.0017 -0.0266 0.0799 0.0115
1.0029 -0.0005 -2.0009 0.0054 0.0234 -0.1505
1.9934 1.9968 1.0026 -0.1189 -0.2052 -0.1009
1.9929 0.9981 2.0058 -0.1820 -0.1438 -0.0449
0.9952 -0.0003 2.0053 -0.1409 -0.0504 0.0279
1.9956 -0.9995 2.0091 -0.2351 0.0159 -0.0219
-0.0025 -0.9987 2.0047 -0.0997 0.0429 0.1007

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_unetI/netI     0.0155
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            69862
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.249
_diffrn_reflns_theta_min         3.471
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 100'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -62.00  -9.00   0.50    0.05    --  -91.42  57.00  97.00  106
  2  ω    -32.00  -5.00   0.50    0.05    --  -91.42  30.00  60.00   54
  3  ω    -32.00  -5.00   0.50    0.05    --  -91.42  30.00  30.00   54
  4  ω    -32.00  -5.00   0.50    0.05    --  -91.42  30.00 150.00   54
  5  ω    -32.00  -5.00   0.50    0.05    --  -91.42  30.00 -30.00   54
  6  ω    -32.00  -5.00   0.50    0.05    --  -91.42  30.00-180.00   54
  7  ω    -40.00  45.00   0.50    0.05    --  -41.25  38.00 -30.00  170
  8  ω     79.00 178.00   0.50    0.05    --  107.13  45.00 150.00  198
  9  ω     79.00 178.00   0.50    0.05    --  107.13  45.00 150.00  198
 10  ω     80.00 178.00   0.50    0.05    --  113.66  64.00-100.00  196
 11  ω     80.00 178.00   0.50    0.05    --  113.66  64.00-100.00  196
 12  ω     79.00 178.00   0.50    0.05    --  107.13  45.00-150.00  198
 13  ω    -50.00  30.00   0.50    0.05    --   40.00 -19.00-150.00  160
 14  ω    -40.00  74.00   0.50    0.05    --   40.00 -64.00 123.00  228
 15  ω     58.00 160.00   0.50    0.05    --  113.66 158.00 125.00  204
 16  ω     88.00 178.00   0.50    0.05    --  113.66 111.00 -60.00  180
 17  ω     29.00 108.00   0.50    0.05    --  113.66-111.00 120.00  158
 18  ω     27.00  79.00   0.50    0.05    --  107.13 -64.00 123.00  104
 19  ω     36.00 127.00   0.50    0.05    --   40.00-158.00  91.00  182
 20  ω     28.00  54.00   0.50    0.05    --  113.66 -45.00 150.00   52
 21  ω     33.00  75.00   0.50    0.05    --  113.66 -61.00 -90.00   84
 22  ω     25.00  69.00   0.50    0.05    --  107.13 -57.00 -44.00   88
 23  ω     23.00 110.00   0.50    0.05    --  107.13-118.00-114.00  174
 24  ω   -115.00  -2.00   0.50    0.05    --  -41.25 -77.00-120.00  226
 25  ω   -125.00 -74.00   0.50    0.05    --  -41.25-125.00-180.00  102
 26  ω   -125.00 -74.00   0.50    0.05    --  -41.25-125.00 -60.00  102
 27  ω   -125.00 -74.00   0.50    0.05    --  -41.25-125.00 -30.00  102
 28  ω   -125.00 -74.00   0.50    0.05    --  -41.25-125.00  60.00  102
 29  ω   -115.00 -59.00   0.50    0.05    --  -41.25 -77.00   0.00  112
 30  φ     41.00  67.00   0.50    0.05 139.04 110.39 -20.00    --    52
 31  φ     36.00  61.00   0.50    0.05  34.75  40.25  60.00    --    50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix-Arc 100'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0676908000
_diffrn_orient_matrix_UB_12      0.0264492000
_diffrn_orient_matrix_UB_13      -0.0366442000
_diffrn_orient_matrix_UB_21      -0.0135012000
_diffrn_orient_matrix_UB_22      -0.0799983000
_diffrn_orient_matrix_UB_23      -0.0184501000
_diffrn_orient_matrix_UB_31      -0.0614524000
_diffrn_orient_matrix_UB_32      -0.0115048000
_diffrn_orient_matrix_UB_33      0.0444107000
_diffrn_oxdiff_digest_hkl        
;
43308da8db94efb761f0a8c9b2dd8fe7355a06
;
_diffrn_oxdiff_digest_od_ed      
;

;
_diffrn_oxdiff_measurement_exp_name 04573.par
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet R (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6901
_reflns_number_total             7049
_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       'CrysAlisPro 1.171.44.128a (Rigaku OD, 2025)'
_computing_data_collection       
'CrysAlisPro system (CCD 44.128a (release 04-11-2025))'
_computing_data_reduction        'CrysAlisPro 1.171.44.128a (Rigaku OD, 2025)'
_computing_molecular_graphics    'Olex2 1.5-ac7-018 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac7-018 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         5.635
_refine_diff_density_min         -3.111
_refine_diff_density_rms         0.150
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         7049
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0627
_refine_ls_restrained_S_all      1.094
_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)+(0.0416P)²+95.2220P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1367
_refine_ls_wR_factor_ref         0.1373
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C11(H11), C12(H12),
 C15(H15), C16(H16), C17(H17), C18(H18), C21(H21), C22(H22), C23(H23), C24(H24),
  C25(H25), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C33(H33),
 C34(H34), C35(H35), C36(H36), C37(H37), C39(H39), C40(H40), C41(H41), C42(H42),
  C43(H43)
;
_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
C1 C 0.0484(5) 0.3801(4) 0.5905(3) 0.0418(18) Uani 1 1 d . . . . .
C2 C 0.0573(4) 0.3603(4) 0.6427(3) 0.0364(16) Uani 1 1 d . . . . .
H2 H 0.099472 0.379955 0.663461 0.044 Uiso 1 1 calc R U . . .
C3 C 0.0021(5) 0.3105(5) 0.6637(4) 0.049(2) Uani 1 1 d . . . . .
H3 H 0.008130 0.295138 0.699158 0.058 Uiso 1 1 calc R U . . .
C4 C -0.0611(5) 0.2829(5) 0.6345(4) 0.058(3) Uani 1 1 d . . . . .
H4 H -0.099320 0.251087 0.650363 0.070 Uiso 1 1 calc R U . . .
C5 C -0.0683(6) 0.3017(5) 0.5821(4) 0.056(2) Uani 1 1 d . . . . .
H5 H -0.111052 0.282096 0.561844 0.067 Uiso 1 1 calc R U . . .
C6 C -0.0138(5) 0.3489(4) 0.5593(3) 0.0424(19) Uani 1 1 d . . . . .
C7 C 0.0773(5) 0.4297(4) 0.5114(3) 0.0368(17) Uani 1 1 d . . . . .
C8 C 0.1255(5) 0.4712(4) 0.4751(3) 0.0426(18) Uani 1 1 d . . . . .
C9 C 0.1137(7) 0.4676(6) 0.4215(3) 0.059(3) Uani 1 1 d . . . . .
H9 H 0.069985 0.440150 0.407623 0.070 Uiso 1 1 calc R U . . .
C10 C 0.1661(6) 0.5042(5) 0.3878(4) 0.056(2) Uani 1 1 d . . . . .
H10 H 0.158872 0.501581 0.350880 0.067 Uiso 1 1 calc R U . . .
C11 C 0.2294(7) 0.5450(6) 0.4091(3) 0.059(2) Uani 1 1 d . . . . .
H11 H 0.265912 0.569776 0.386554 0.070 Uiso 1 1 calc R U . . .
C12 C 0.2392(5) 0.5493(4) 0.4647(3) 0.0400(17) Uani 1 1 d . . . . .
H12 H 0.281937 0.577463 0.479037 0.048 Uiso 1 1 calc R U . . .
C13 C 0.1867(5) 0.5127(4) 0.4978(3) 0.0381(17) Uani 1 1 d . . . . .
C14 C 0.2303(4) 0.5928(4) 0.6939(3) 0.0344(16) Uani 1 1 d . . . . .
C15 C 0.2291(4) 0.6161(4) 0.7469(3) 0.0392(17) Uani 1 1 d . . . . .
H15 H 0.199793 0.588851 0.772344 0.047 Uiso 1 1 calc R U . . .
C16 C 0.2706(5) 0.6786(5) 0.7614(3) 0.046(2) Uani 1 1 d . . . . .
H16 H 0.271994 0.693205 0.797232 0.055 Uiso 1 1 calc R U . . .
C17 C 0.3102(5) 0.7202(5) 0.7240(3) 0.045(2) Uani 1 1 d . . . . .
H17 H 0.338028 0.763594 0.734213 0.054 Uiso 1 1 calc R U . . .
C18 C 0.3096(5) 0.6995(4) 0.6724(3) 0.0410(18) Uani 1 1 d . . . . .
H18 H 0.336048 0.729047 0.646966 0.049 Uiso 1 1 calc R U . . .
C19 C 0.2702(4) 0.6348(4) 0.6569(3) 0.0356(17) Uani 1 1 d . . . . .
C20 C 0.0866(4) 0.5151(4) 0.7080(3) 0.0346(16) Uani 1 1 d . . . . .
C21 C 0.0361(5) 0.5727(5) 0.6944(4) 0.047(2) Uani 1 1 d . . . . .
H21 H 0.049807 0.603774 0.665766 0.056 Uiso 1 1 calc R U . . .
C22 C -0.0337(5) 0.5858(6) 0.7218(4) 0.063(3) Uani 1 1 d . . . . .
H22 H -0.067879 0.625377 0.711844 0.076 Uiso 1 1 calc R U . . .
C23 C -0.0539(6) 0.5416(6) 0.7635(4) 0.065(3) Uani 1 1 d . . . . .
H23 H -0.101215 0.551580 0.783115 0.078 Uiso 1 1 calc R U . . .
C24 C -0.0057(6) 0.4828(6) 0.7771(4) 0.060(3) Uani 1 1 d . . . . .
H24 H -0.020691 0.451501 0.805395 0.072 Uiso 1 1 calc R U . . .
C25 C 0.0646(5) 0.4692(5) 0.7496(3) 0.0458(19) Uani 1 1 d . . . . .
H25 H 0.097803 0.428782 0.759161 0.055 Uiso 1 1 calc R U . . .
C26 C 0.2415(4) 0.4349(4) 0.6994(3) 0.0348(16) Uani 1 1 d . . . . .
C27 C 0.2592(6) 0.4280(5) 0.7530(4) 0.051(2) Uani 1 1 d . . . . .
H27 H 0.234570 0.460186 0.777602 0.061 Uiso 1 1 calc R U . . .
C28 C 0.3120(6) 0.3750(5) 0.7702(4) 0.055(2) Uani 1 1 d . . . . .
H28 H 0.322265 0.369759 0.806702 0.066 Uiso 1 1 calc R U . . .
C29 C 0.3503(5) 0.3293(5) 0.7347(4) 0.053(2) Uani 1 1 d . . . . .
H29 H 0.388012 0.293790 0.746752 0.063 Uiso 1 1 calc R U . . .
C30 C 0.3339(5) 0.3353(5) 0.6822(4) 0.047(2) Uani 1 1 d . . . . .
H30 H 0.360115 0.303740 0.657871 0.057 Uiso 1 1 calc R U . . .
C31 C 0.2792(4) 0.3871(4) 0.6643(3) 0.0376(17) Uani 1 1 d . . . . .
H31 H 0.267365 0.390126 0.627862 0.045 Uiso 1 1 calc R U . . .
C32 C 0.3735(5) 0.5748(4) 0.5769(3) 0.0396(18) Uani 1 1 d . . . . .
C33 C 0.3904(5) 0.5021(4) 0.5661(3) 0.0400(18) Uani 1 1 d . . . . .
H33 H 0.347484 0.468519 0.560306 0.048 Uiso 1 1 calc R U . . .
C34 C 0.4680(6) 0.4771(5) 0.5635(4) 0.050(2) Uani 1 1 d . . . . .
H34 H 0.478343 0.426674 0.555996 0.060 Uiso 1 1 calc R U . . .
C35 C 0.5310(5) 0.5251(6) 0.5718(4) 0.059(2) Uani 1 1 d . . . . .
H35 H 0.584704 0.507706 0.570473 0.070 Uiso 1 1 calc R U . . .
C36 C 0.5158(6) 0.5978(6) 0.5818(5) 0.065(3) Uani 1 1 d . . . . .
H36 H 0.559211 0.630947 0.587088 0.078 Uiso 1 1 calc R U . . .
C37 C 0.4380(5) 0.6236(5) 0.5844(4) 0.061(3) Uani 1 1 d . . . . .
H37 H 0.428095 0.674327 0.591105 0.073 Uiso 1 1 calc R U . . .
C38 C 0.2481(4) 0.6864(4) 0.5533(3) 0.0330(15) Uani 1 1 d . . . . .
C39 C 0.3005(5) 0.7201(5) 0.5179(4) 0.047(2) Uani 1 1 d . . . . .
H39 H 0.350966 0.698058 0.510326 0.057 Uiso 1 1 calc R U . . .
C40 C 0.2788(6) 0.7855(5) 0.4938(4) 0.054(2) Uani 1 1 d . . . . .
H40 H 0.314260 0.807849 0.469262 0.065 Uiso 1 1 calc R U . . .
C41 C 0.2070(6) 0.8184(5) 0.5049(3) 0.049(2) Uani 1 1 d . . . . .
H41 H 0.193848 0.864307 0.489116 0.058 Uiso 1 1 calc R U . . .
C42 C 0.1530(6) 0.7851(5) 0.5391(4) 0.050(2) Uani 1 1 d . . . . .
H42 H 0.102526 0.807347 0.546016 0.059 Uiso 1 1 calc R U . . .
C43 C 0.1734(5) 0.7193(4) 0.5629(3) 0.0398(17) Uani 1 1 d . . . . .
H43 H 0.136537 0.696138 0.586048 0.048 Uiso 1 1 calc R U . . .
N1 N 0.0960(4) 0.4285(3) 0.5623(3) 0.0361(14) Uani 1 1 d . . . . .
P1 P 0.18019(11) 0.50900(10) 0.67209(8) 0.0329(4) Uani 1 1 d . . . . .
P2 P 0.27003(11) 0.60217(10) 0.58932(8) 0.0324(4) Uani 1 1 d . . . . .
Pt1 Pt 0.18221(2) 0.51038(2) 0.58054(2) 0.03348(12) Uani 1 1 d . . . . .
S1 S -0.00459(13) 0.37553(13) 0.49510(9) 0.0513(5) Uani 1 1 d . . . . .
F1 F 0.5620(6) 0.2709(5) 0.6928(3) 0.124(3) Uani 1 1 d . . . . .
F2 F 0.4961(6) 0.2313(7) 0.6241(4) 0.154(4) Uani 1 1 d . . . . .
F3 F 0.6228(7) 0.2133(6) 0.6286(4) 0.155(5) Uani 1 1 d . . . . .
F4 F 0.5759(6) 0.2955(6) 0.5718(3) 0.149(5) Uani 1 1 d . . . . .
F5 F 0.6405(10) 0.3296(11) 0.6423(7) 0.285(10) Uani 1 1 d . . . . .
F6 F 0.5078(7) 0.3455(5) 0.6355(3) 0.142(4) Uani 1 1 d . . . . .
P3 P 0.57095(15) 0.28344(15) 0.63206(10) 0.0550(6) Uani 1 1 d . . . . .


_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 C2 1.384(11) . ?
C1 C6 1.424(11) . ?
C1 N1 1.383(10) . ?
C2 C3 1.395(11) . ?
C3 C4 1.383(13) . ?
C4 C5 1.382(14) . ?
C5 C6 1.377(12) . ?
C6 S1 1.711(9) . ?
C7 C8 1.438(11) . ?
C7 N1 1.333(10) . ?
C7 S1 1.732(8) . ?
C8 C9 1.381(12) . ?
C8 C13 1.393(11) . ?
C9 C10 1.392(14) . ?
C10 C11 1.397(14) . ?
C11 C12 1.427(11) . ?
C12 C13 1.384(11) . ?
C13 Pt1 2.108(8) . ?
C14 C15 1.415(11) . ?
C14 C19 1.382(11) . ?
C14 P1 1.820(7) . ?
C15 C16 1.378(11) . ?
C16 C17 1.383(13) . ?
C17 C18 1.365(12) . ?
C18 C19 1.400(10) . ?
C19 P2 1.821(8) . ?
C20 C21 1.386(11) . ?
C20 C25 1.397(11) . ?
C20 P1 1.812(7) . ?
C21 C22 1.377(12) . ?
C22 C23 1.372(15) . ?
C23 C24 1.379(15) . ?
C24 C25 1.387(12) . ?
C26 C27 1.401(12) . ?
C26 C31 1.395(10) . ?
C26 P1 1.827(7) . ?
C27 C28 1.374(12) . ?
C28 C29 1.382(13) . ?
C29 C30 1.370(13) . ?
C30 C31 1.385(11) . ?
C32 C33 1.375(11) . ?
C32 C37 1.406(12) . ?
C32 P2 1.823(8) . ?
C33 C34 1.372(12) . ?
C34 C35 1.381(13) . ?
C35 C36 1.365(14) . ?
C36 C37 1.380(13) . ?
C38 C39 1.396(11) . ?
C38 C43 1.402(11) . ?
C38 P2 1.818(7) . ?
C39 C40 1.384(12) . ?
C40 C41 1.367(13) . ?
C41 C42 1.391(13) . ?
C42 C43 1.379(11) . ?
N1 Pt1 2.118(6) . ?
P1 Pt1 2.332(2) . ?
P2 Pt1 2.2273(18) . ?
F1 P3 1.570(8) . ?
F2 P3 1.579(9) . ?
F3 P3 1.540(8) . ?
F4 P3 1.552(8) . ?
F5 P3 1.453(10) . ?
F6 P3 1.543(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
C2 C1 C6 120.7(8) . . ?
C2 C1 N1 127.0(7) . . ?
N1 C1 C6 112.3(8) . . ?
C1 C2 C3 117.8(8) . . ?
C4 C3 C2 121.9(9) . . ?
C5 C4 C3 119.7(9) . . ?
C6 C5 C4 120.3(9) . . ?
C1 C6 S1 110.9(6) . . ?
C5 C6 C1 119.4(9) . . ?
C5 C6 S1 129.7(7) . . ?
C8 C7 S1 125.7(6) . . ?
N1 C7 C8 120.2(7) . . ?
N1 C7 S1 114.1(6) . . ?
C9 C8 C7 122.0(8) . . ?
C9 C8 C13 122.8(8) . . ?
C13 C8 C7 115.2(7) . . ?
C8 C9 C10 119.7(9) . . ?
C9 C10 C11 119.2(8) . . ?
C10 C11 C12 120.0(9) . . ?
C13 C12 C11 120.4(8) . . ?
C8 C13 Pt1 112.2(6) . . ?
C12 C13 C8 117.9(7) . . ?
C12 C13 Pt1 129.9(6) . . ?
C15 C14 P1 122.3(6) . . ?
C19 C14 C15 119.5(7) . . ?
C19 C14 P1 118.2(6) . . ?
C16 C15 C14 119.6(8) . . ?
C15 C16 C17 120.2(8) . . ?
C18 C17 C16 120.6(8) . . ?
C17 C18 C19 120.3(8) . . ?
C14 C19 C18 119.7(7) . . ?
C14 C19 P2 117.7(5) . . ?
C18 C19 P2 122.6(6) . . ?
C21 C20 C25 118.6(7) . . ?
C21 C20 P1 116.4(6) . . ?
C25 C20 P1 125.0(6) . . ?
C22 C21 C20 121.2(9) . . ?
C23 C22 C21 119.9(9) . . ?
C22 C23 C24 120.2(9) . . ?
C23 C24 C25 120.2(9) . . ?
C24 C25 C20 120.0(8) . . ?
C27 C26 P1 123.7(6) . . ?
C31 C26 C27 118.3(7) . . ?
C31 C26 P1 117.6(6) . . ?
C28 C27 C26 120.5(8) . . ?
C27 C28 C29 120.4(9) . . ?
C30 C29 C28 119.9(8) . . ?
C29 C30 C31 120.5(8) . . ?
C30 C31 C26 120.4(8) . . ?
C33 C32 C37 118.3(8) . . ?
C33 C32 P2 119.3(6) . . ?
C37 C32 P2 122.0(6) . . ?
C34 C33 C32 121.2(8) . . ?
C33 C34 C35 120.2(8) . . ?
C36 C35 C34 119.7(8) . . ?
C35 C36 C37 120.7(9) . . ?
C36 C37 C32 120.0(9) . . ?
C39 C38 C43 118.9(7) . . ?
C39 C38 P2 124.5(6) . . ?
C43 C38 P2 116.6(6) . . ?
C40 C39 C38 119.8(8) . . ?
C41 C40 C39 120.7(9) . . ?
C40 C41 C42 120.5(8) . . ?
C43 C42 C41 119.4(8) . . ?
C42 C43 C38 120.7(8) . . ?
C1 N1 Pt1 136.0(5) . . ?
C7 N1 C1 112.4(7) . . ?
C7 N1 Pt1 111.1(5) . . ?
C14 P1 C26 103.9(3) . . ?
C14 P1 Pt1 106.8(3) . . ?
C20 P1 C14 101.0(3) . . ?
C20 P1 C26 109.5(4) . . ?
C20 P1 Pt1 121.1(3) . . ?
C26 P1 Pt1 112.4(3) . . ?
C19 P2 C32 104.5(3) . . ?
C19 P2 Pt1 109.8(3) . . ?
C32 P2 Pt1 113.7(3) . . ?
C38 P2 C19 101.8(3) . . ?
C38 P2 C32 109.4(4) . . ?
C38 P2 Pt1 116.4(2) . . ?
C13 Pt1 N1 79.6(3) . . ?
C13 Pt1 P1 178.7(2) . . ?
C13 Pt1 P2 93.5(2) . . ?
N1 Pt1 P1 101.65(18) . . ?
N1 Pt1 P2 172.58(18) . . ?
P2 Pt1 P1 85.25(7) . . ?
C6 S1 C7 90.1(4) . . ?
F1 P3 F2 87.9(6) . . ?
F3 P3 F1 89.4(5) . . ?
F3 P3 F2 86.7(7) . . ?
F3 P3 F4 91.7(5) . . ?
F3 P3 F6 171.2(7) . . ?
F4 P3 F1 177.5(6) . . ?
F4 P3 F2 90.0(6) . . ?
F5 P3 F1 89.1(8) . . ?
F5 P3 F2 176.8(9) . . ?
F5 P3 F3 92.1(10) . . ?
F5 P3 F4 93.1(8) . . ?
F5 P3 F6 96.6(10) . . ?
F6 P3 F1 89.2(5) . . ?
F6 P3 F2 84.5(7) . . ?
F6 P3 F4 89.4(5) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C39 H39 F4 0.95 2.42 3.088(11) 126.8 5_666 yes
C43 H43 F2 0.95 2.50 3.235(12) 134.5 8_665 yes

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
C1 C2 C3 C4 -1.9(12) . . . . ?
C1 C6 S1 C7 -2.5(6) . . . . ?
C2 C1 C6 C5 3.7(12) . . . . ?
C2 C1 C6 S1 -173.8(6) . . . . ?
C2 C1 N1 C7 173.1(8) . . . . ?
C2 C1 N1 Pt1 -15.6(12) . . . . ?
C2 C3 C4 C5 3.3(14) . . . . ?
C3 C4 C5 C6 -1.2(14) . . . . ?
C4 C5 C6 C1 -2.2(13) . . . . ?
C4 C5 C6 S1 174.7(7) . . . . ?
C5 C6 S1 C7 -179.6(9) . . . . ?
C6 C1 C2 C3 -1.6(11) . . . . ?
C6 C1 N1 C7 -5.7(9) . . . . ?
C6 C1 N1 Pt1 165.6(5) . . . . ?
C7 C8 C9 C10 -174.9(9) . . . . ?
C7 C8 C13 C12 175.0(7) . . . . ?
C7 C8 C13 Pt1 -5.9(9) . . . . ?
C8 C7 N1 C1 -173.8(7) . . . . ?
C8 C7 N1 Pt1 12.7(9) . . . . ?
C8 C7 S1 C6 176.7(7) . . . . ?
C8 C9 C10 C11 -0.8(16) . . . . ?
C9 C8 C13 C12 -2.5(13) . . . . ?
C9 C8 C13 Pt1 176.5(7) . . . . ?
C9 C10 C11 C12 -0.7(15) . . . . ?
C10 C11 C12 C13 0.6(14) . . . . ?
C11 C12 C13 C8 0.9(12) . . . . ?
C11 C12 C13 Pt1 -177.9(7) . . . . ?
C13 C8 C9 C10 2.5(15) . . . . ?
C14 C15 C16 C17 3.0(12) . . . . ?
C14 C19 P2 C32 -110.9(6) . . . . ?
C14 C19 P2 C38 135.2(6) . . . . ?
C14 C19 P2 Pt1 11.4(6) . . . . ?
C15 C14 C19 C18 0.8(10) . . . . ?
C15 C14 C19 P2 179.9(5) . . . . ?
C15 C14 P1 C20 42.3(7) . . . . ?
C15 C14 P1 C26 -71.3(7) . . . . ?
C15 C14 P1 Pt1 169.7(5) . . . . ?
C15 C16 C17 C18 -0.9(12) . . . . ?
C16 C17 C18 C19 -1.3(12) . . . . ?
C17 C18 C19 C14 1.3(11) . . . . ?
C17 C18 C19 P2 -177.8(6) . . . . ?
C18 C19 P2 C32 68.2(7) . . . . ?
C18 C19 P2 C38 -45.6(7) . . . . ?
C18 C19 P2 Pt1 -169.5(5) . . . . ?
C19 C14 C15 C16 -2.9(11) . . . . ?
C19 C14 P1 C20 -137.1(6) . . . . ?
C19 C14 P1 C26 109.3(6) . . . . ?
C19 C14 P1 Pt1 -9.7(6) . . . . ?
C20 C21 C22 C23 0.4(16) . . . . ?
C21 C20 C25 C24 -1.3(13) . . . . ?
C21 C20 P1 C14 66.0(7) . . . . ?
C21 C20 P1 C26 175.1(6) . . . . ?
C21 C20 P1 Pt1 -51.5(7) . . . . ?
C21 C22 C23 C24 -2.0(17) . . . . ?
C22 C23 C24 C25 1.8(17) . . . . ?
C23 C24 C25 C20 -0.2(15) . . . . ?
C25 C20 C21 C22 1.2(13) . . . . ?
C25 C20 P1 C14 -110.0(7) . . . . ?
C25 C20 P1 C26 -0.8(8) . . . . ?
C25 C20 P1 Pt1 132.5(6) . . . . ?
C26 C27 C28 C29 2.1(15) . . . . ?
C27 C26 C31 C30 -1.2(12) . . . . ?
C27 C26 P1 C14 55.9(8) . . . . ?
C27 C26 P1 C20 -51.4(8) . . . . ?
C27 C26 P1 Pt1 171.0(6) . . . . ?
C27 C28 C29 C30 -1.9(15) . . . . ?
C28 C29 C30 C31 0.2(14) . . . . ?
C29 C30 C31 C26 1.4(13) . . . . ?
C31 C26 C27 C28 -0.5(13) . . . . ?
C31 C26 P1 C14 -117.4(6) . . . . ?
C31 C26 P1 C20 135.4(6) . . . . ?
C31 C26 P1 Pt1 -2.2(7) . . . . ?
C32 C33 C34 C35 -0.1(14) . . . . ?
C33 C32 C37 C36 -1.4(15) . . . . ?
C33 C32 P2 C19 116.6(7) . . . . ?
C33 C32 P2 C38 -135.0(7) . . . . ?
C33 C32 P2 Pt1 -3.1(8) . . . . ?
C33 C34 C35 C36 -0.9(15) . . . . ?
C34 C35 C36 C37 0.7(18) . . . . ?
C35 C36 C37 C32 0.5(18) . . . . ?
C37 C32 C33 C34 1.2(14) . . . . ?
C37 C32 P2 C19 -55.5(9) . . . . ?
C37 C32 P2 C38 52.9(9) . . . . ?
C37 C32 P2 Pt1 -175.2(7) . . . . ?
C38 C39 C40 C41 1.0(14) . . . . ?
C39 C38 C43 C42 -2.0(12) . . . . ?
C39 C38 P2 C19 115.9(7) . . . . ?
C39 C38 P2 C32 5.7(8) . . . . ?
C39 C38 P2 Pt1 -124.8(6) . . . . ?
C39 C40 C41 C42 -2.5(14) . . . . ?
C40 C41 C42 C43 1.7(13) . . . . ?
C41 C42 C43 C38 0.6(13) . . . . ?
C43 C38 C39 C40 1.2(12) . . . . ?
C43 C38 P2 C19 -63.3(6) . . . . ?
C43 C38 P2 C32 -173.4(6) . . . . ?
C43 C38 P2 Pt1 56.1(6) . . . . ?
N1 C1 C2 C3 179.6(7) . . . . ?
N1 C1 C6 C5 -177.4(7) . . . . ?
N1 C1 C6 S1 5.1(8) . . . . ?
N1 C7 C8 C9 172.8(8) . . . . ?
N1 C7 C8 C13 -4.8(11) . . . . ?
N1 C7 S1 C6 -0.8(6) . . . . ?
P1 C14 C15 C16 177.7(6) . . . . ?
P1 C14 C19 C18 -179.8(5) . . . . ?
P1 C14 C19 P2 -0.7(8) . . . . ?
P1 C20 C21 C22 -175.1(8) . . . . ?
P1 C20 C25 C24 174.6(7) . . . . ?
P1 C26 C27 C28 -173.7(7) . . . . ?
P1 C26 C31 C30 172.4(6) . . . . ?
P2 C32 C33 C34 -171.2(7) . . . . ?
P2 C32 C37 C36 170.8(9) . . . . ?
P2 C38 C39 C40 -177.9(7) . . . . ?
P2 C38 C43 C42 177.2(6) . . . . ?
S1 C7 C8 C9 -4.6(12) . . . . ?
S1 C7 C8 C13 177.9(6) . . . . ?
S1 C7 N1 C1 3.9(8) . . . . ?
S1 C7 N1 Pt1 -169.7(3) . . . . ?

_olex2_exptl_crystal_mounting_method 'placed on a MiTeGen micromount'
_olex2_submission_original_sample_id 04573
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.475
_oxdiff_exptl_absorpt_empirical_full_min 0.721
_exptl_crystal_preparation       Luminescent
