# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_rm2134_a
_database_code_depnum_ccdc_archive 'CCDC 2364269'
loop_
_audit_author_name
_audit_author_address
'Rana Marghalani'
;Boston University
United States of America
;
#Added by publCIF



_audit_update_record             
;
2024-06-20 deposited with the CCDC.	2024-07-26 downloaded from the CCDC.
;
#Added by publCIF




_diffrn_radiation_monochromator  'HELIOS Cu'
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C53 H39 Au F2 N P2 Pt, C F3 O3 S, C H2 Cl2'
_chemical_formula_sum            'C55 H41 Au Cl2 F5 N O3 P2 Pt S'
_chemical_formula_weight         1415.84
_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 0.0181 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'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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'
O O 0.0492 0.0322 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.8472(11)
_cell_length_b                   13.4093(12)
_cell_length_c                   16.6730(15)
_cell_angle_alpha                76.964(2)
_cell_angle_beta                 75.349(2)
_cell_angle_gamma                86.149(2)
_cell_volume                     2496.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9181
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      66.621
_cell_measurement_theta_min      3.384
_shelx_estimated_absorpt_T_max   0.288
_shelx_estimated_absorpt_T_min   0.175
_exptl_absorpt_coefficient_mu    13.143
_exptl_absorpt_correction_T_max  0.4247
_exptl_absorpt_correction_T_min  0.1822
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1333 before and 0.0769 after correction.
The Ratio of minimum to maximum transmission is 0.4290.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.884
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.204
_exptl_crystal_size_mid          0.181
_exptl_crystal_size_min          0.126
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            69643
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        66.619
_diffrn_reflns_theta_max         66.619
_diffrn_reflns_theta_min         2.806
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed tube'
_diffrn_source_current           1.2
_diffrn_source_power             0.06
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8706
_reflns_number_total             8723
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       'APEX5 (Bruker, 2016)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_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  (Sheldrick, 2015)'
_refine_diff_density_max         0.961
_refine_diff_density_min         -1.702
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         8723
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0281
_refine_ls_R_factor_gt           0.0280
_refine_ls_restrained_S_all      1.125
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0334P)²+10.3056P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0724
_refine_ls_wR_factor_ref         0.0725
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB)
2.b Aromatic/amide H refined with riding coordinates:
 C16(H16), C50(H50), C35(H35), C2(H2), C43(H43), C38(H38), C25(H25), C47(H47),
 C23(H23), C33(H33), C27(H27), C9(H9), C37(H37), C41(H41), C34(H34), C40(H40),
 C19(H19), C49(H49), C52(H52), C28(H28), C22(H22), C45(H45), C21(H21), C31(H31),
  C44(H44), C46(H46), C8(H8), C29(H29), C39(H39), C4(H4), C13(H13), C32(H32),
 C14(H14), C20(H20), C53(H53), C5(H5), C10(H10), C26(H26), C51(H51)
;
_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 0.70167(2) 0.28920(2) 0.72980(2) 0.00940(6) Uani 1 1 d . . . . .
P2 P 0.58206(8) 0.35413(7) 0.83419(6) 0.01024(19) Uani 1 1 d . . . . .
P1 P 0.38824(9) 0.14218(8) 0.68513(6) 0.0128(2) Uani 1 1 d . . . . .
S1S S 0.00304(10) 0.75998(8) 0.75020(6) 0.0210(2) Uani 1 1 d . . . . .
Cl1S Cl 0.93026(12) 0.53682(12) 0.58868(11) 0.0486(4) Uani 1 1 d . . . . .
Cl2S Cl 0.78017(14) 0.71825(11) 0.57573(11) 0.0537(4) Uani 1 1 d . . . . .
F2 F 0.8516(2) 0.0966(2) 1.01423(15) 0.0245(6) Uani 1 1 d . . . . .
F1 F 0.5646(2) 0.62358(18) 0.50641(15) 0.0216(5) Uani 1 1 d . . . . .
F2S F -0.0036(3) 0.8153(2) 0.89255(18) 0.0363(7) Uani 1 1 d . . . . .
C16 C 0.7839(4) 0.1768(3) 0.8937(3) 0.0150(8) Uani 1 1 d . . . . .
H16 H 0.730545 0.216401 0.927162 0.018 Uiso 1 1 calc R U . . .
C18 C 0.4774(3) 0.2650(3) 0.9108(2) 0.0132(8) Uani 1 1 d . . . . .
C50 C 0.0806(4) 0.2984(4) 0.7241(4) 0.0310(12) Uani 1 1 d . . . . .
H50 H 0.031763 0.335842 0.690338 0.037 Uiso 1 1 calc R U . . .
C35 C 0.7741(4) 0.4500(3) 0.8461(3) 0.0171(8) Uani 1 1 d . . . . .
H35 H 0.798830 0.452938 0.786765 0.021 Uiso 1 1 calc R U . . .
O3S O 0.0507(4) 0.8569(3) 0.7015(2) 0.0383(9) Uani 1 1 d . . . . .
N2 N 0.8149(3) 0.2251(2) 0.6413(2) 0.0124(7) Uani 1 1 d . . . . .
C48 C 0.2496(4) 0.1921(3) 0.7365(3) 0.0167(8) Uani 1 1 d . . . . .
C2 C 0.6024(4) 0.4718(3) 0.5980(3) 0.0148(8) Uani 1 1 d . . . . .
H2 H 0.546153 0.491847 0.643409 0.018 Uiso 1 1 calc R U . . .
C15 C 0.8560(4) 0.1063(3) 0.9303(3) 0.0161(8) Uani 1 1 d . . . . .
F3S F 0.1618(3) 0.7558(3) 0.8355(2) 0.0492(9) Uani 1 1 d . . . . .
C43 C 0.4303(4) 0.1321(3) 0.5143(3) 0.0202(9) Uani 1 1 d . . . . .
H43 H 0.489102 0.181516 0.503576 0.024 Uiso 1 1 calc R U . . .
C30 C 0.6675(4) 0.4052(3) 0.8923(3) 0.0134(8) Uani 1 1 d . . . . .
C11 C 0.8822(3) 0.1460(3) 0.6694(3) 0.0134(8) Uani 1 1 d . . . . .
C38 C 0.3823(4) -0.1341(3) 0.8534(3) 0.0240(10) Uani 1 1 d . . . . .
H38 H 0.326596 -0.182828 0.889433 0.029 Uiso 1 1 calc R U . . .
C25 C 0.3822(4) 0.4435(3) 0.7863(3) 0.0170(8) Uani 1 1 d . . . . .
H25 H 0.355203 0.375250 0.798515 0.020 Uiso 1 1 calc R U . . .
C47 C 0.2768(4) 0.0243(4) 0.6119(3) 0.0210(9) Uani 1 1 d . . . . .
H47 H 0.231232 0.000125 0.667979 0.025 Uiso 1 1 calc R U . . .
C7 C 0.8210(4) 0.2618(3) 0.5575(3) 0.0146(8) Uani 1 1 d . . . . .
C24 C 0.4892(4) 0.4615(3) 0.8014(2) 0.0143(8) Uani 1 1 d . . . . .
C23 C 0.4878(4) 0.1608(3) 0.9114(3) 0.0158(8) Uani 1 1 d . . . . .
H23 H 0.551174 0.135525 0.873321 0.019 Uiso 1 1 calc R U . . .
C33 C 0.8113(4) 0.4823(3) 0.9733(3) 0.0213(9) Uani 1 1 d . . . . .
H33 H 0.860231 0.508244 1.000911 0.026 Uiso 1 1 calc R U . . .
C17 C 0.7894(3) 0.1902(3) 0.8071(2) 0.0131(8) Uani 1 1 d . . . . .
C27 C 0.3554(4) 0.6242(4) 0.7338(3) 0.0240(10) Uani 1 1 d . . . . .
H27 H 0.310859 0.679158 0.709903 0.029 Uiso 1 1 calc R U . . .
C9 C 0.9633(4) 0.1325(3) 0.5256(3) 0.0192(9) Uani 1 1 d . . . . .
H9 H 1.014949 0.100120 0.485250 0.023 Uiso 1 1 calc R U . . .
C1 C 0.6648(3) 0.3787(3) 0.6122(2) 0.0125(8) Uani 1 1 d . . . . .
O2S O 0.0571(3) 0.6728(2) 0.7176(2) 0.0298(8) Uani 1 1 d . . . . .
C37 C 0.3447(4) -0.0443(3) 0.8076(3) 0.0190(9) Uani 1 1 d . . . . .
H37 H 0.263741 -0.031719 0.811704 0.023 Uiso 1 1 calc R U . . .
C41 C 0.5458(4) 0.0081(3) 0.7506(3) 0.0159(8) Uani 1 1 d . . . . .
H41 H 0.601897 0.057325 0.716171 0.019 Uiso 1 1 calc R U . . .
C34 C 0.8444(4) 0.4904(3) 0.8857(3) 0.0203(9) Uani 1 1 d . . . . .
H34 H 0.914992 0.523517 0.853255 0.024 Uiso 1 1 calc R U . . .
C40 C 0.5823(4) -0.0823(3) 0.7959(3) 0.0211(9) Uani 1 1 d . . . . .
H40 H 0.663056 -0.095658 0.791948 0.025 Uiso 1 1 calc R U . . .
F1S F 0.0200(3) 0.6551(2) 0.90050(19) 0.0416(8) Uani 1 1 d . . . . .
C19 C 0.3850(4) 0.3006(3) 0.9686(3) 0.0171(8) Uani 1 1 d . . . . .
H19 H 0.378036 0.371597 0.968391 0.020 Uiso 1 1 calc R U . . .
C49 C 0.1780(4) 0.2458(3) 0.6868(3) 0.0234(10) Uani 1 1 d . . . . .
H49 H 0.195342 0.246726 0.627826 0.028 Uiso 1 1 calc R U . . .
C42 C 0.3632(4) 0.0978(3) 0.5965(3) 0.0161(8) Uani 1 1 d . . . . .
C52 C 0.1255(4) 0.2418(4) 0.8600(3) 0.0303(11) Uani 1 1 d . . . . .
H52 H 0.106996 0.239993 0.919200 0.036 Uiso 1 1 calc R U . . .
C28 C 0.4609(4) 0.6427(3) 0.7491(3) 0.0221(9) Uani 1 1 d . . . . .
H28 H 0.488435 0.710859 0.735666 0.026 Uiso 1 1 calc R U . . .
C22 C 0.4039(4) 0.0933(3) 0.9689(3) 0.0203(9) Uani 1 1 d . . . . .
H22 H 0.409660 0.022278 0.968841 0.024 Uiso 1 1 calc R U . . .
C45 C 0.3251(4) 0.0221(4) 0.4634(3) 0.0262(10) Uani 1 1 d . . . . .
H45 H 0.311935 -0.003185 0.417768 0.031 Uiso 1 1 calc R U . . .
C21 C 0.3131(4) 0.1294(4) 1.0254(3) 0.0218(9) Uani 1 1 d . . . . .
H21 H 0.256634 0.083317 1.064127 0.026 Uiso 1 1 calc R U . . .
C36 C 0.4271(4) 0.0280(3) 0.7550(2) 0.0136(8) Uani 1 1 d . . . . .
C31 C 0.6337(4) 0.3994(3) 0.9800(3) 0.0154(8) Uani 1 1 d . . . . .
H31 H 0.560855 0.370254 1.012170 0.019 Uiso 1 1 calc R U . . .
O1S O -0.1222(3) 0.7553(3) 0.7782(2) 0.0391(9) Uani 1 1 d . . . . .
C44 C 0.4115(4) 0.0941(4) 0.4479(3) 0.0256(10) Uani 1 1 d . . . . .
H44 H 0.457778 0.117312 0.391879 0.031 Uiso 1 1 calc R U . . .
C46 C 0.2578(4) -0.0130(4) 0.5452(3) 0.0259(10) Uani 1 1 d . . . . .
H46 H 0.199070 -0.062402 0.555520 0.031 Uiso 1 1 calc R U . . .
C1S C 0.8232(5) 0.6105(4) 0.6422(3) 0.0340(12) Uani 1 1 d . . . . .
H1SA H 0.853172 0.632758 0.685565 0.041 Uiso 1 1 calc R U . . .
H1SB H 0.754111 0.567379 0.672108 0.041 Uiso 1 1 calc R U . . .
C8 C 0.8956(4) 0.2155(3) 0.4979(3) 0.0168(8) Uani 1 1 d . . . . .
H8 H 0.900378 0.240027 0.439076 0.020 Uiso 1 1 calc R U . . .
C29 C 0.5274(4) 0.5625(3) 0.7839(3) 0.0163(8) Uani 1 1 d . . . . .
H29 H 0.598349 0.576437 0.795780 0.020 Uiso 1 1 calc R U . . .
C39 C 0.4997(4) -0.1538(3) 0.8475(3) 0.0227(9) Uani 1 1 d . . . . .
H39 H 0.524227 -0.216204 0.878570 0.027 Uiso 1 1 calc R U . . .
C4 C 0.7014(4) 0.5077(3) 0.4485(3) 0.0196(9) Uani 1 1 d . . . . .
H4 H 0.712314 0.551386 0.393717 0.024 Uiso 1 1 calc R U . . .
C13 C 0.9393(4) 0.0540(3) 0.8015(3) 0.0147(8) Uani 1 1 d . . . . .
H13 H 0.990486 0.011310 0.769803 0.018 Uiso 1 1 calc R U . . .
C12 C 0.8695(3) 0.1267(3) 0.7614(3) 0.0142(8) Uani 1 1 d . . . . .
C32 C 0.7065(4) 0.4362(3) 1.0199(3) 0.0197(9) Uani 1 1 d . . . . .
H32 H 0.684314 0.429800 1.079747 0.024 Uiso 1 1 calc R U . . .
C2S C 0.0480(4) 0.7460(3) 0.8491(3) 0.0204(9) Uani 1 1 d . . . . .
C14 C 0.9343(4) 0.0436(3) 0.8874(3) 0.0161(8) Uani 1 1 d . . . . .
H14 H 0.982466 -0.004300 0.915156 0.019 Uiso 1 1 calc R U . . .
C3 C 0.6241(4) 0.5335(3) 0.5173(3) 0.0159(8) Uani 1 1 d . . . . .
C20 C 0.3041(4) 0.2340(4) 1.0257(3) 0.0207(9) Uani 1 1 d . . . . .
H20 H 0.242367 0.258838 1.065194 0.025 Uiso 1 1 calc R U . . .
C53 C 0.2231(4) 0.1898(4) 0.8235(3) 0.0230(10) Uani 1 1 d . . . . .
H53 H 0.271854 0.152674 0.857552 0.028 Uiso 1 1 calc R U . . .
C5 C 0.7632(4) 0.4164(3) 0.4606(3) 0.0170(9) Uani 1 1 d . . . . .
H5 H 0.817316 0.397064 0.413789 0.020 Uiso 1 1 calc R U . . .
C6 C 0.7462(4) 0.3529(3) 0.5412(3) 0.0143(8) Uani 1 1 d . . . . .
C10 C 0.9565(4) 0.0965(3) 0.6110(3) 0.0178(9) Uani 1 1 d . . . . .
H10 H 1.001754 0.038841 0.629775 0.021 Uiso 1 1 calc R U . . .
C26 C 0.3150(4) 0.5234(4) 0.7540(3) 0.0214(9) Uani 1 1 d . . . . .
H26 H 0.241613 0.510019 0.745468 0.026 Uiso 1 1 calc R U . . .
C51 C 0.0547(4) 0.2964(4) 0.8103(4) 0.0332(12) Uani 1 1 d . . . . .
H51 H -0.011693 0.332480 0.835377 0.040 Uiso 1 1 calc R U . . .
Au1 Au 0.52740(2) 0.26018(2) 0.65621(2) 0.01156(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
Pt1 P2 2.2507(9) . ?
Pt1 N2 2.033(3) . ?
Pt1 C17 2.055(4) . ?
Pt1 C1 2.186(4) . ?
Pt1 Au1 2.7430(3) . ?
P2 C18 1.819(4) . ?
P2 C30 1.822(4) . ?
P2 C24 1.822(4) . ?
P1 C48 1.810(4) . ?
P1 C42 1.807(4) . ?
P1 C36 1.813(4) . ?
P1 Au1 2.2491(10) . ?
S1S O3S 1.435(4) . ?
S1S O2S 1.443(3) . ?
S1S O1S 1.440(4) . ?
S1S C2S 1.825(5) . ?
Cl1S C1S 1.742(6) . ?
Cl2S C1S 1.744(5) . ?
F2 C15 1.364(5) . ?
F1 C3 1.356(5) . ?
F2S C2S 1.328(5) . ?
C16 H16 0.9500 . ?
C16 C15 1.375(6) . ?
C16 C17 1.400(6) . ?
C18 C23 1.393(6) . ?
C18 C19 1.399(6) . ?
C50 H50 0.9500 . ?
C50 C49 1.393(7) . ?
C50 C51 1.386(8) . ?
C35 H35 0.9500 . ?
C35 C30 1.397(6) . ?
C35 C34 1.387(6) . ?
N2 C11 1.353(5) . ?
N2 C7 1.356(5) . ?
C48 C49 1.389(6) . ?
C48 C53 1.398(6) . ?
C2 H2 0.9500 . ?
C2 C1 1.412(6) . ?
C2 C3 1.383(6) . ?
C15 C14 1.381(6) . ?
F3S C2S 1.320(5) . ?
C43 H43 0.9500 . ?
C43 C42 1.391(6) . ?
C43 C44 1.388(7) . ?
C30 C31 1.400(6) . ?
C11 C12 1.468(5) . ?
C11 C10 1.393(6) . ?
C38 H38 0.9500 . ?
C38 C37 1.385(6) . ?
C38 C39 1.381(7) . ?
C25 H25 0.9500 . ?
C25 C24 1.399(6) . ?
C25 C26 1.384(6) . ?
C47 H47 0.9500 . ?
C47 C42 1.405(6) . ?
C47 C46 1.389(6) . ?
C7 C8 1.384(6) . ?
C7 C6 1.476(6) . ?
C24 C29 1.401(6) . ?
C23 H23 0.9500 . ?
C23 C22 1.405(6) . ?
C33 H33 0.9500 . ?
C33 C34 1.393(6) . ?
C33 C32 1.389(7) . ?
C17 C12 1.423(6) . ?
C27 H27 0.9500 . ?
C27 C28 1.386(7) . ?
C27 C26 1.404(7) . ?
C9 H9 0.9500 . ?
C9 C8 1.390(6) . ?
C9 C10 1.380(6) . ?
C1 C6 1.418(6) . ?
C1 Au1 2.220(4) . ?
C37 H37 0.9500 . ?
C37 C36 1.405(6) . ?
C41 H41 0.9500 . ?
C41 C40 1.381(6) . ?
C41 C36 1.400(6) . ?
C34 H34 0.9500 . ?
C40 H40 0.9500 . ?
C40 C39 1.395(7) . ?
F1S C2S 1.331(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.375(6) . ?
C49 H49 0.9500 . ?
C52 H52 0.9500 . ?
C52 C53 1.386(6) . ?
C52 C51 1.386(8) . ?
C28 H28 0.9500 . ?
C28 C29 1.396(6) . ?
C22 H22 0.9500 . ?
C22 C21 1.379(7) . ?
C45 H45 0.9500 . ?
C45 C44 1.391(7) . ?
C45 C46 1.388(7) . ?
C21 H21 0.9500 . ?
C21 C20 1.400(7) . ?
C31 H31 0.9500 . ?
C31 C32 1.388(6) . ?
C44 H44 0.9500 . ?
C46 H46 0.9500 . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C8 H8 0.9500 . ?
C29 H29 0.9500 . ?
C39 H39 0.9500 . ?
C4 H4 0.9500 . ?
C4 C3 1.372(6) . ?
C4 C5 1.384(6) . ?
C13 H13 0.9500 . ?
C13 C12 1.398(6) . ?
C13 C14 1.395(6) . ?
C32 H32 0.9500 . ?
C14 H14 0.9500 . ?
C20 H20 0.9500 . ?
C53 H53 0.9500 . ?
C5 H5 0.9500 . ?
C5 C6 1.395(6) . ?
C10 H10 0.9500 . ?
C26 H26 0.9500 . ?
C51 H51 0.9500 . ?

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
P2 Pt1 Au1 94.60(3) . . ?
N2 Pt1 P2 176.27(9) . . ?
N2 Pt1 C17 80.45(14) . . ?
N2 Pt1 C1 78.44(14) . . ?
N2 Pt1 Au1 88.12(9) . . ?
C17 Pt1 P2 95.83(11) . . ?
C17 Pt1 C1 158.28(16) . . ?
C17 Pt1 Au1 132.32(11) . . ?
C1 Pt1 P2 105.25(11) . . ?
C1 Pt1 Au1 52.06(10) . . ?
C18 P2 Pt1 115.44(14) . . ?
C18 P2 C30 107.86(18) . . ?
C18 P2 C24 102.33(19) . . ?
C30 P2 Pt1 109.95(13) . . ?
C24 P2 Pt1 116.49(13) . . ?
C24 P2 C30 103.77(19) . . ?
C48 P1 C36 109.55(19) . . ?
C48 P1 Au1 109.68(13) . . ?
C42 P1 C48 106.21(19) . . ?
C42 P1 C36 104.86(19) . . ?
C42 P1 Au1 117.19(14) . . ?
C36 P1 Au1 109.10(14) . . ?
O3S S1S O2S 114.5(2) . . ?
O3S S1S O1S 116.2(2) . . ?
O3S S1S C2S 103.2(2) . . ?
O2S S1S C2S 103.3(2) . . ?
O1S S1S O2S 114.2(2) . . ?
O1S S1S C2S 103.0(2) . . ?
C15 C16 H16 120.1 . . ?
C15 C16 C17 119.9(4) . . ?
C17 C16 H16 120.1 . . ?
C23 C18 P2 120.0(3) . . ?
C23 C18 C19 119.5(4) . . ?
C19 C18 P2 120.4(3) . . ?
C49 C50 H50 119.9 . . ?
C51 C50 H50 119.9 . . ?
C51 C50 C49 120.3(5) . . ?
C30 C35 H35 119.6 . . ?
C34 C35 H35 119.6 . . ?
C34 C35 C30 120.8(4) . . ?
C11 N2 Pt1 117.5(3) . . ?
C11 N2 C7 122.4(3) . . ?
C7 N2 Pt1 120.1(3) . . ?
C49 C48 P1 119.1(3) . . ?
C49 C48 C53 120.1(4) . . ?
C53 C48 P1 120.1(3) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C3 C2 C1 119.3(4) . . ?
F2 C15 C16 118.8(4) . . ?
F2 C15 C14 116.9(4) . . ?
C16 C15 C14 124.3(4) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 H43 119.9 . . ?
C44 C43 C42 120.2(4) . . ?
C35 C30 P2 117.3(3) . . ?
C35 C30 C31 118.9(4) . . ?
C31 C30 P2 123.8(3) . . ?
N2 C11 C12 112.7(3) . . ?
N2 C11 C10 119.3(4) . . ?
C10 C11 C12 127.9(4) . . ?
C37 C38 H38 119.6 . . ?
C39 C38 H38 119.6 . . ?
C39 C38 C37 120.8(4) . . ?
C24 C25 H25 119.5 . . ?
C26 C25 H25 119.5 . . ?
C26 C25 C24 121.1(4) . . ?
C42 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C46 C47 C42 120.1(4) . . ?
N2 C7 C8 119.6(4) . . ?
N2 C7 C6 113.1(3) . . ?
C8 C7 C6 127.2(4) . . ?
C25 C24 P2 120.0(3) . . ?
C25 C24 C29 118.9(4) . . ?
C29 C24 P2 120.9(3) . . ?
C18 C23 H23 120.3 . . ?
C18 C23 C22 119.4(4) . . ?
C22 C23 H23 120.3 . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C32 C33 C34 119.6(4) . . ?
C16 C17 Pt1 131.3(3) . . ?
C16 C17 C12 117.0(4) . . ?
C12 C17 Pt1 111.7(3) . . ?
C28 C27 H27 120.3 . . ?
C28 C27 C26 119.3(4) . . ?
C26 C27 H27 120.3 . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C10 C9 C8 120.8(4) . . ?
Pt1 C1 Au1 77.00(12) . . ?
C2 C1 Pt1 129.5(3) . . ?
C2 C1 C6 117.3(4) . . ?
C2 C1 Au1 104.0(3) . . ?
C6 C1 Pt1 109.9(3) . . ?
C6 C1 Au1 107.0(3) . . ?
C38 C37 H37 120.3 . . ?
C38 C37 C36 119.5(4) . . ?
C36 C37 H37 120.3 . . ?
C40 C41 H41 119.6 . . ?
C40 C41 C36 120.8(4) . . ?
C36 C41 H41 119.6 . . ?
C35 C34 C33 120.0(4) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C41 C40 H40 120.3 . . ?
C41 C40 C39 119.5(4) . . ?
C39 C40 H40 120.3 . . ?
C18 C19 H19 119.6 . . ?
C20 C19 C18 120.8(4) . . ?
C20 C19 H19 119.6 . . ?
C50 C49 H49 120.2 . . ?
C48 C49 C50 119.5(5) . . ?
C48 C49 H49 120.2 . . ?
C43 C42 P1 121.5(3) . . ?
C43 C42 C47 119.5(4) . . ?
C47 C42 P1 118.9(3) . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C51 C52 C53 120.1(5) . . ?
C27 C28 H28 119.6 . . ?
C27 C28 C29 120.9(4) . . ?
C29 C28 H28 119.6 . . ?
C23 C22 H22 119.8 . . ?
C21 C22 C23 120.5(4) . . ?
C21 C22 H22 119.8 . . ?
C44 C45 H45 119.8 . . ?
C46 C45 H45 119.8 . . ?
C46 C45 C44 120.4(4) . . ?
C22 C21 H21 120.0 . . ?
C22 C21 C20 120.0(4) . . ?
C20 C21 H21 120.0 . . ?
C37 C36 P1 122.9(3) . . ?
C41 C36 P1 117.7(3) . . ?
C41 C36 C37 119.2(4) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 C30 120.1(4) . . ?
C32 C31 H31 119.9 . . ?
C43 C44 C45 120.0(4) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C47 C46 H46 120.1 . . ?
C45 C46 C47 119.7(4) . . ?
C45 C46 H46 120.1 . . ?
Cl1S C1S Cl2S 113.5(3) . . ?
Cl1S C1S H1SA 108.9 . . ?
Cl1S C1S H1SB 108.9 . . ?
Cl2S C1S H1SA 108.9 . . ?
Cl2S C1S H1SB 108.9 . . ?
H1SA C1S H1SB 107.7 . . ?
C7 C8 C9 118.8(4) . . ?
C7 C8 H8 120.6 . . ?
C9 C8 H8 120.6 . . ?
C24 C29 H29 120.1 . . ?
C28 C29 C24 119.9(4) . . ?
C28 C29 H29 120.1 . . ?
C38 C39 C40 120.2(4) . . ?
C38 C39 H39 119.9 . . ?
C40 C39 H39 119.9 . . ?
C3 C4 H4 120.8 . . ?
C3 C4 C5 118.5(4) . . ?
C5 C4 H4 120.8 . . ?
C12 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
C14 C13 C12 120.6(4) . . ?
C17 C12 C11 117.1(4) . . ?
C13 C12 C11 121.3(4) . . ?
C13 C12 C17 121.4(4) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 C33 120.6(4) . . ?
C31 C32 H32 119.7 . . ?
F2S C2S S1S 111.6(3) . . ?
F2S C2S F1S 106.2(4) . . ?
F3S C2S S1S 111.9(3) . . ?
F3S C2S F2S 107.7(4) . . ?
F3S C2S F1S 107.1(4) . . ?
F1S C2S S1S 112.1(3) . . ?
C15 C14 C13 116.8(4) . . ?
C15 C14 H14 121.6 . . ?
C13 C14 H14 121.6 . . ?
F1 C3 C2 117.7(4) . . ?
F1 C3 C4 119.0(4) . . ?
C4 C3 C2 123.3(4) . . ?
C19 C20 C21 119.8(4) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C48 C53 H53 120.1 . . ?
C52 C53 C48 119.8(5) . . ?
C52 C53 H53 120.1 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.2(4) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C7 117.3(4) . . ?
C5 C6 C7 121.0(4) . . ?
C5 C6 C1 121.4(4) . . ?
C11 C10 H10 120.5 . . ?
C9 C10 C11 119.0(4) . . ?
C9 C10 H10 120.5 . . ?
C25 C26 C27 119.9(4) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C50 C51 C52 120.2(4) . . ?
C50 C51 H51 119.9 . . ?
C52 C51 H51 119.9 . . ?
P1 Au1 Pt1 134.78(3) . . ?
C1 Au1 Pt1 50.94(10) . . ?
C1 Au1 P1 173.45(10) . . ?

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 P2 C18 C23 11.1(4) . . . . ?
Pt1 P2 C18 C19 -168.0(3) . . . . ?
Pt1 P2 C30 C35 34.4(3) . . . . ?
Pt1 P2 C30 C31 -143.8(3) . . . . ?
Pt1 P2 C24 C25 84.9(3) . . . . ?
Pt1 P2 C24 C29 -89.6(3) . . . . ?
Pt1 N2 C11 C12 -6.0(4) . . . . ?
Pt1 N2 C11 C10 176.7(3) . . . . ?
Pt1 N2 C7 C8 -177.9(3) . . . . ?
Pt1 N2 C7 C6 4.2(4) . . . . ?
Pt1 C17 C12 C11 4.0(4) . . . . ?
Pt1 C17 C12 C13 179.5(3) . . . . ?
Pt1 C1 C6 C7 11.5(4) . . . . ?
Pt1 C1 C6 C5 -162.3(3) . . . . ?
P2 C18 C23 C22 -177.7(3) . . . . ?
P2 C18 C19 C20 178.8(3) . . . . ?
P2 C30 C31 C32 177.1(3) . . . . ?
P2 C24 C29 C28 172.2(3) . . . . ?
P1 C48 C49 C50 -169.8(3) . . . . ?
P1 C48 C53 C52 170.1(4) . . . . ?
F2 C15 C14 C13 -179.7(4) . . . . ?
C16 C15 C14 C13 0.2(6) . . . . ?
C16 C17 C12 C11 -175.3(4) . . . . ?
C16 C17 C12 C13 0.2(6) . . . . ?
C18 P2 C30 C35 161.1(3) . . . . ?
C18 P2 C30 C31 -17.1(4) . . . . ?
C18 P2 C24 C25 -42.0(4) . . . . ?
C18 P2 C24 C29 143.5(3) . . . . ?
C18 C23 C22 C21 -1.3(6) . . . . ?
C18 C19 C20 C21 -0.9(6) . . . . ?
C35 C30 C31 C32 -1.1(6) . . . . ?
O3S S1S C2S F2S 66.5(4) . . . . ?
O3S S1S C2S F3S -54.2(4) . . . . ?
O3S S1S C2S F1S -174.5(3) . . . . ?
N2 C11 C12 C17 1.2(5) . . . . ?
N2 C11 C12 C13 -174.4(4) . . . . ?
N2 C11 C10 C9 2.9(6) . . . . ?
N2 C7 C8 C9 -0.5(6) . . . . ?
N2 C7 C6 C1 -10.8(5) . . . . ?
N2 C7 C6 C5 163.1(4) . . . . ?
C48 P1 C42 C43 125.5(4) . . . . ?
C48 P1 C42 C47 -56.9(4) . . . . ?
C48 P1 C36 C37 37.3(4) . . . . ?
C48 P1 C36 C41 -147.8(3) . . . . ?
C2 C1 C6 C7 173.2(4) . . . . ?
C2 C1 C6 C5 -0.6(6) . . . . ?
C15 C16 C17 Pt1 -177.8(3) . . . . ?
C15 C16 C17 C12 1.4(6) . . . . ?
C30 P2 C18 C23 -112.2(3) . . . . ?
C30 P2 C18 C19 68.6(4) . . . . ?
C30 P2 C24 C25 -154.1(3) . . . . ?
C30 P2 C24 C29 31.3(4) . . . . ?
C30 C35 C34 C33 2.9(7) . . . . ?
C30 C31 C32 C33 2.3(6) . . . . ?
C11 N2 C7 C8 2.2(6) . . . . ?
C11 N2 C7 C6 -175.7(3) . . . . ?
C38 C37 C36 P1 174.2(3) . . . . ?
C38 C37 C36 C41 -0.6(6) . . . . ?
C25 C24 C29 C28 -2.4(6) . . . . ?
C7 N2 C11 C12 173.9(3) . . . . ?
C7 N2 C11 C10 -3.4(6) . . . . ?
C24 P2 C18 C23 138.7(3) . . . . ?
C24 P2 C18 C19 -40.4(4) . . . . ?
C24 P2 C30 C35 -90.8(3) . . . . ?
C24 P2 C30 C31 90.9(4) . . . . ?
C24 C25 C26 C27 1.6(6) . . . . ?
C23 C18 C19 C20 -0.3(6) . . . . ?
C23 C22 C21 C20 0.0(6) . . . . ?
C17 C16 C15 F2 178.2(4) . . . . ?
C17 C16 C15 C14 -1.6(7) . . . . ?
C27 C28 C29 C24 2.0(6) . . . . ?
C1 C2 C3 F1 -178.4(3) . . . . ?
C1 C2 C3 C4 2.1(6) . . . . ?
O2S S1S C2S F2S -173.9(3) . . . . ?
O2S S1S C2S F3S 65.4(4) . . . . ?
O2S S1S C2S F1S -54.9(4) . . . . ?
C37 C38 C39 C40 1.0(7) . . . . ?
C41 C40 C39 C38 -0.2(7) . . . . ?
C34 C35 C30 P2 -179.8(3) . . . . ?
C34 C35 C30 C31 -1.5(6) . . . . ?
C34 C33 C32 C31 -0.9(6) . . . . ?
C40 C41 C36 P1 -173.7(3) . . . . ?
C40 C41 C36 C37 1.4(6) . . . . ?
C19 C18 C23 C22 1.4(6) . . . . ?
C49 C50 C51 C52 -0.1(7) . . . . ?
C49 C48 C53 C52 -0.4(7) . . . . ?
C42 P1 C48 C49 -38.1(4) . . . . ?
C42 P1 C48 C53 151.3(3) . . . . ?
C42 P1 C36 C37 -76.3(4) . . . . ?
C42 P1 C36 C41 98.6(3) . . . . ?
C42 C43 C44 C45 0.4(7) . . . . ?
C42 C47 C46 C45 0.4(7) . . . . ?
C28 C27 C26 C25 -2.0(6) . . . . ?
C22 C21 C20 C19 1.0(6) . . . . ?
C36 P1 C48 C49 -150.9(3) . . . . ?
C36 P1 C48 C53 38.5(4) . . . . ?
C36 P1 C42 C43 -118.6(4) . . . . ?
C36 P1 C42 C47 59.1(4) . . . . ?
C36 C41 C40 C39 -1.0(6) . . . . ?
O1S S1S C2S F2S -54.8(4) . . . . ?
O1S S1S C2S F3S -175.5(4) . . . . ?
O1S S1S C2S F1S 64.2(4) . . . . ?
C44 C43 C42 P1 177.9(3) . . . . ?
C44 C43 C42 C47 0.3(6) . . . . ?
C44 C45 C46 C47 0.3(7) . . . . ?
C46 C47 C42 P1 -178.3(4) . . . . ?
C46 C47 C42 C43 -0.7(7) . . . . ?
C46 C45 C44 C43 -0.6(7) . . . . ?
C8 C7 C6 C1 171.5(4) . . . . ?
C8 C7 C6 C5 -14.7(6) . . . . ?
C8 C9 C10 C11 -1.3(6) . . . . ?
C39 C38 C37 C36 -0.6(7) . . . . ?
C4 C5 C6 C7 -172.6(4) . . . . ?
C4 C5 C6 C1 1.0(6) . . . . ?
C12 C11 C10 C9 -173.9(4) . . . . ?
C12 C13 C14 C15 1.5(6) . . . . ?
C32 C33 C34 C35 -1.7(7) . . . . ?
C14 C13 C12 C11 173.7(4) . . . . ?
C14 C13 C12 C17 -1.7(6) . . . . ?
C3 C2 C1 Pt1 156.6(3) . . . . ?
C3 C2 C1 C6 -0.9(6) . . . . ?
C3 C2 C1 Au1 -118.8(4) . . . . ?
C3 C4 C5 C6 0.1(6) . . . . ?
C53 C48 C49 C50 0.9(6) . . . . ?
C53 C52 C51 C50 0.6(7) . . . . ?
C5 C4 C3 F1 178.9(4) . . . . ?
C5 C4 C3 C2 -1.7(7) . . . . ?
C6 C7 C8 C9 177.1(4) . . . . ?
C10 C11 C12 C17 178.2(4) . . . . ?
C10 C11 C12 C13 2.6(7) . . . . ?
C10 C9 C8 C7 0.1(6) . . . . ?
C26 C25 C24 P2 -174.0(3) . . . . ?
C26 C25 C24 C29 0.6(6) . . . . ?
C26 C27 C28 C29 0.2(6) . . . . ?
C51 C50 C49 C48 -0.6(7) . . . . ?
C51 C52 C53 C48 -0.4(7) . . . . ?
Au1 P1 C48 C49 89.4(3) . . . . ?
Au1 P1 C48 C53 -81.2(4) . . . . ?
Au1 P1 C42 C43 2.5(4) . . . . ?
Au1 P1 C42 C47 -179.8(3) . . . . ?
Au1 P1 C36 C37 157.4(3) . . . . ?
Au1 P1 C36 C41 -27.7(3) . . . . ?
Au1 C1 C6 C7 -70.5(4) . . . . ?
Au1 C1 C6 C5 115.7(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'



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