# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_H
_database_code_depnum_ccdc_archive 'CCDC 2162251'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-03-26 deposited with the CCDC.	2022-05-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C114 H106 Au2 Cl8 F6 N2 O6 P6 Pt S4'
_chemical_formula_weight         2900.68

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'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.1545(3)
_cell_length_b                   15.4046(3)
_cell_length_c                   15.8278(3)
_cell_angle_alpha                113.4130(10)
_cell_angle_beta                 115.9690(10)
_cell_angle_gamma                95.6200(10)
_cell_volume                     2878.04(10)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9419
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      25.38

_exptl_crystal_description       bar
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_F_000             1432
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    4.160
_shelx_estimated_absorpt_T_min   0.635
_shelx_estimated_absorpt_T_max   0.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5858
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16803
_diffrn_reflns_av_unetI/netI     0.0367
_diffrn_reflns_av_R_equivalents  0.0223
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.387
_diffrn_reflns_theta_max         25.368
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measured_fraction_theta_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_point_group_measured_fraction_full 0.981
_reflns_number_total             10361
_reflns_number_gt                9588
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0497P)²+6.6503P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10361
_refine_ls_number_parameters     697
_refine_ls_number_restraints     149
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0329
_refine_ls_wR_factor_ref         0.0883
_refine_ls_wR_factor_gt          0.0865
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Au1 Au 0.32353(2) 0.55106(2) 0.00903(2) 0.01893(6) Uani 1 1 d . . . . .
Pt1 Pt 0.500000 0.500000 0.000000 0.01505(7) Uani 1 2 d S . P . .
S1 S 0.62798(9) 0.38528(8) 0.32159(9) 0.0272(2) Uani 1 1 d . . . . .
S2 S 0.78607(9) 0.89143(9) 0.49268(9) 0.0289(2) Uani 1 1 d . . . . .
P1 P 0.20094(8) 0.39937(8) -0.13752(9) 0.0189(2) Uani 1 1 d . . . . .
P2 P 0.42618(9) 0.71817(8) 0.12673(9) 0.0194(2) Uani 1 1 d . . . . .
P3 P 0.60971(8) 0.66531(8) 0.11046(8) 0.0170(2) Uani 1 1 d . . . . .
F1 F 0.9170(3) 0.7955(3) 0.4845(3) 0.0629(10) Uani 1 1 d . . . . .
F2 F 0.9237(4) 0.8567(5) 0.6344(4) 0.1027(19) Uani 1 1 d . . . . .
F3 F 0.9890(3) 0.9532(3) 0.5966(5) 0.0959(18) Uani 1 1 d . . . . .
O1 O 0.7127(3) 0.7974(3) 0.4537(3) 0.0410(9) Uani 1 1 d . . . . .
O2 O 0.7847(3) 0.9072(3) 0.4084(3) 0.0469(10) Uani 1 1 d . . . . .
O3 O 0.7919(3) 0.9756(3) 0.5788(3) 0.0491(10) Uani 1 1 d . . . . .
N1 N 0.7247(3) 0.3858(3) 0.5140(3) 0.0292(9) Uani 1 1 d . . . . .
C1 C 0.1135(3) 0.4400(3) -0.2257(3) 0.0228(9) Uani 1 1 d . . . . .
C2 C 0.1253(4) 0.4406(4) -0.3081(4) 0.0285(10) Uani 1 1 d . . . . .
H2 H 0.168759 0.407670 -0.327254 0.034 Uiso 1 1 calc R U . . .
C3 C 0.0745(4) 0.4886(4) -0.3622(4) 0.0363(11) Uani 1 1 d . . . . .
H3 H 0.083754 0.489225 -0.417572 0.044 Uiso 1 1 calc R U . . .
C4 C 0.0107(4) 0.5354(4) -0.3357(4) 0.0407(12) Uani 1 1 d . . . . .
H4 H -0.024063 0.568692 -0.372493 0.049 Uiso 1 1 calc R U . . .
C5 C -0.0028(4) 0.5339(4) -0.2553(5) 0.0394(12) Uani 1 1 d . . . . .
H5 H -0.047575 0.566213 -0.238175 0.047 Uiso 1 1 calc R U . . .
C6 C 0.0469(4) 0.4868(4) -0.1988(4) 0.0289(10) Uani 1 1 d . . . . .
C7 C 0.0299(4) 0.4898(5) -0.1108(4) 0.0390(12) Uani 1 1 d . . . . .
H7A H -0.014118 0.530829 -0.101659 0.058 Uiso 1 1 calc R U . . .
H7B H 0.097068 0.518902 -0.042994 0.058 Uiso 1 1 calc R U . . .
H7C H -0.004275 0.421574 -0.130590 0.058 Uiso 1 1 calc R U . . .
C8 C 0.1318(3) 0.3158(3) -0.1156(4) 0.0245(9) Uani 1 1 d . . . . .
C9 C 0.1711(4) 0.3401(4) -0.0085(4) 0.0340(11) Uani 1 1 d . . . . .
H9 H 0.229051 0.398769 0.047846 0.041 Uiso 1 1 calc R U . . .
C10 C 0.1253(5) 0.2781(5) 0.0164(5) 0.0465(14) Uani 1 1 d . . . . .
H10 H 0.151207 0.295223 0.089524 0.056 Uiso 1 1 calc R U . . .
C11 C 0.0423(5) 0.1920(5) -0.0657(5) 0.0461(14) Uani 1 1 d . . . . .
H11 H 0.011365 0.149434 -0.049060 0.055 Uiso 1 1 calc R U . . .
C12 C 0.0043(4) 0.1676(4) -0.1710(5) 0.0375(12) Uani 1 1 d . . . . .
H12 H -0.052447 0.107652 -0.226420 0.045 Uiso 1 1 calc R U . . .
C13 C 0.0466(4) 0.2284(4) -0.1999(4) 0.0295(10) Uani 1 1 d . . . . .
C14 C -0.0005(5) 0.1980(5) -0.3169(4) 0.0497(15) Uani 1 1 d . . . . .
H14A H -0.069463 0.147464 -0.358899 0.075 Uiso 1 1 calc R U . . .
H14B H 0.044120 0.169782 -0.342033 0.075 Uiso 1 1 calc R U . . .
H14C H -0.006987 0.256679 -0.326166 0.075 Uiso 1 1 calc R U . . .
C15 C 0.3987(4) 0.7847(3) 0.2306(4) 0.0233(9) Uani 1 1 d . . . . .
C16 C 0.4717(4) 0.8171(3) 0.3386(4) 0.0258(9) Uani 1 1 d . . . . .
H16 H 0.535126 0.802896 0.356932 0.031 Uiso 1 1 calc R U . . .
C17 C 0.4526(4) 0.8698(4) 0.4192(4) 0.0335(11) Uani 1 1 d . . . . .
H17 H 0.502559 0.891174 0.492328 0.040 Uiso 1 1 calc R U . . .
C18 C 0.3618(5) 0.8912(4) 0.3937(5) 0.0388(12) Uani 1 1 d . . . . .
H18 H 0.349599 0.929507 0.449041 0.047 Uiso 1 1 calc R U . . .
C19 C 0.2877(4) 0.8562(4) 0.2861(5) 0.0374(12) Uani 1 1 d . . . . .
H19 H 0.224011 0.869573 0.269209 0.045 Uiso 1 1 calc R U . . .
C20 C 0.3027(4) 0.8030(4) 0.2028(4) 0.0297(10) Uani 1 1 d . . . . .
C21 C 0.2187(4) 0.7674(5) 0.0884(5) 0.0448(14) Uani 1 1 d . . . . .
H21A H 0.151156 0.759421 0.082904 0.067 Uiso 1 1 calc R U . . .
H21B H 0.218605 0.702922 0.040604 0.067 Uiso 1 1 calc R U . . .
H21C H 0.231659 0.816672 0.067087 0.067 Uiso 1 1 calc R U . . .
C22 C 0.4086(4) 0.7831(4) 0.0489(4) 0.0285(10) Uani 1 1 d . . . . .
C23 C 0.3408(4) 0.7236(4) -0.0644(4) 0.0345(11) Uani 1 1 d . . . . .
H23 H 0.312974 0.653124 -0.095362 0.041 Uiso 1 1 calc R U . . .
C24 C 0.3143(5) 0.7655(5) -0.1305(5) 0.0449(13) Uani 1 1 d . . . . .
H24 H 0.267697 0.725202 -0.206273 0.054 Uiso 1 1 calc R U . . .
C25 C 0.3577(5) 0.8684(5) -0.0834(6) 0.0530(16) Uani 1 1 d . . . . .
H25 H 0.340816 0.898539 -0.127959 0.064 Uiso 1 1 calc R U . . .
C26 C 0.4243(5) 0.9276(5) 0.0258(6) 0.0517(15) Uani 1 1 d . . . . .
H26 H 0.452650 0.997658 0.055034 0.062 Uiso 1 1 calc R U . . .
C27 C 0.4518(4) 0.8871(4) 0.0957(4) 0.0371(11) Uani 1 1 d . . . . .
C28 C 0.5238(5) 0.9556(4) 0.2125(5) 0.0461(14) Uani 1 1 d . . . . .
H28A H 0.549892 1.023038 0.225078 0.069 Uiso 1 1 calc R U . . .
H28B H 0.582286 0.931686 0.239233 0.069 Uiso 1 1 calc R U . . .
H28C H 0.487036 0.957648 0.250688 0.069 Uiso 1 1 calc R U . . .
C29 C 0.5635(3) 0.7308(3) 0.1991(3) 0.0198(8) Uani 1 1 d . . . . .
H29A H 0.574926 0.704258 0.249348 0.024 Uiso 1 1 calc R U . . .
H29B H 0.605457 0.802785 0.242865 0.024 Uiso 1 1 calc R U . . .
C30 C 0.6392(3) 0.7496(3) 0.0654(4) 0.0227(9) Uani 1 1 d . . . . .
C31 C 0.7065(4) 0.8468(4) 0.1431(4) 0.0356(11) Uani 1 1 d . . . . .
H31 H 0.734208 0.867600 0.217339 0.043 Uiso 1 1 calc R U . . .
C32 C 0.7336(5) 0.9137(4) 0.1133(5) 0.0445(14) Uani 1 1 d . . . . .
H32 H 0.779049 0.980157 0.167014 0.053 Uiso 1 1 calc R U . . .
C33 C 0.6948(4) 0.8838(4) 0.0058(5) 0.0418(13) Uani 1 1 d . . . . .
H33 H 0.713439 0.929481 -0.014657 0.050 Uiso 1 1 calc R U . . .
C34 C 0.6289(4) 0.7875(5) -0.0717(4) 0.0455(14) Uani 1 1 d . . . . .
H34 H 0.602107 0.766861 -0.145814 0.055 Uiso 1 1 calc R U . . .
C35 C 0.6011(4) 0.7201(4) -0.0426(4) 0.0350(11) Uani 1 1 d . . . . .
H35 H 0.555961 0.653599 -0.096758 0.042 Uiso 1 1 calc R U . . .
C36 C 0.7393(3) 0.6740(3) 0.2062(3) 0.0210(9) Uani 1 1 d . . . . .
H36A H 0.734052 0.649486 0.253483 0.025 Uiso 1 1 calc R U . . .
H36B H 0.784453 0.745037 0.252358 0.025 Uiso 1 1 calc R U . . .
C37 C 0.5586(3) 0.4985(3) 0.1396(3) 0.0186(8) Uani 1 1 d . . . . .
C38 C 0.6008(3) 0.5035(3) 0.2272(4) 0.0232(9) Uani 1 1 d . . . . .
C39 C 0.6471(3) 0.5002(3) 0.3256(3) 0.0231(9) Uani 1 1 d . . . . .
C40 C 0.7094(4) 0.5771(4) 0.4295(4) 0.0265(9) Uani 1 1 d . . . . .
H40 H 0.726888 0.645639 0.448032 0.032 Uiso 1 1 calc R U . . .
C41 C 0.7453(4) 0.5442(3) 0.5066(4) 0.0267(10) Uani 1 1 d . . . . .
H41 H 0.789916 0.588236 0.582062 0.032 Uiso 1 1 calc R U . . .
C42 C 0.7094(4) 0.4432(4) 0.4615(4) 0.0259(9) Uani 1 1 d . . . . .
C43 C 0.7540(4) 0.2998(4) 0.4758(3) 0.0259(9) Uani 1 1 d . . . . .
C44 C 0.8184(4) 0.3011(4) 0.4350(4) 0.0322(11) Uani 1 1 d . . . . .
H44 H 0.842914 0.359092 0.433124 0.039 Uiso 1 1 calc R U . . .
C45 C 0.8468(4) 0.2171(4) 0.3969(4) 0.0348(11) Uani 1 1 d . . . . .
H45 H 0.889300 0.217392 0.367245 0.042 Uiso 1 1 calc R U . . .
C46 C 0.8139(4) 0.1337(4) 0.4019(4) 0.0364(12) Uani 1 1 d . . . . .
H46 H 0.834874 0.077249 0.377325 0.044 Uiso 1 1 calc R U . . .
C47 C 0.7500(4) 0.1327(4) 0.4428(4) 0.0350(11) Uani 1 1 d . . . . .
H47 H 0.727296 0.075276 0.446470 0.042 Uiso 1 1 calc R U . . .
C48 C 0.7188(4) 0.2150(4) 0.4788(4) 0.0289(10) Uani 1 1 d . . . . .
H48 H 0.673582 0.213238 0.505235 0.035 Uiso 1 1 calc R U . . .
C49 C 0.6904(4) 0.4047(3) 0.5879(4) 0.0265(9) Uani 1 1 d . . . . .
C50 C 0.6032(4) 0.4336(4) 0.5701(4) 0.0390(12) Uani 1 1 d . . . . .
H50 H 0.565663 0.439383 0.507335 0.047 Uiso 1 1 calc R U . . .
C51 C 0.5697(5) 0.4543(5) 0.6426(5) 0.0457(14) Uani 1 1 d . . . . .
H51 H 0.510510 0.475317 0.630233 0.055 Uiso 1 1 calc R U . . .
C52 C 0.6236(4) 0.4439(4) 0.7338(4) 0.0380(12) Uani 1 1 d . . . . .
H52 H 0.601264 0.457575 0.783852 0.046 Uiso 1 1 calc R U . . .
C53 C 0.7093(4) 0.4138(4) 0.7502(4) 0.0321(11) Uani 1 1 d . . . . .
H53 H 0.745524 0.405739 0.811561 0.039 Uiso 1 1 calc R U . . .
C54 C 0.7435(4) 0.3951(3) 0.6790(4) 0.0282(10) Uani 1 1 d . . . . .
H54 H 0.803713 0.375500 0.692434 0.034 Uiso 1 1 calc R U . . .
C55 C 0.9102(5) 0.8737(5) 0.5550(5) 0.0491(15) Uani 1 1 d . . . . .
C56 C 0.9602(8) 1.0813(7) 0.1142(7) 0.156(3) Uani 0.399(7) 1 d D U P A -1
H56A H 0.914924 1.043252 0.034578 0.188 Uiso 0.399(7) 1 calc R U P A -1
H56B H 0.942380 1.040816 0.143341 0.188 Uiso 0.399(7) 1 calc R U P A -1
Cl1 Cl 1.0916(8) 1.1012(11) 0.1507(9) 0.197(4) Uani 0.399(7) 1 d D U P A -1
Cl2 Cl 0.9372(5) 1.1945(4) 0.1635(3) 0.206(2) Uani 0.399(7) 1 d D U P A -1
C56' C 0.9602(8) 1.0813(7) 0.1142(7) 0.156(3) Uani 0.601(7) 1 d D U P A -2
H56C H 0.945281 1.040537 0.144401 0.188 Uiso 0.601(7) 1 calc R U P A -2
H56D H 1.033444 1.093376 0.133059 0.188 Uiso 0.601(7) 1 calc R U P A -2
Cl1' Cl 0.8751(3) 1.0207(3) -0.0267(3) 0.0943(15) Uani 0.601(7) 1 d D U P A -2
Cl2' Cl 0.9372(5) 1.1945(4) 0.1635(3) 0.206(2) Uani 0.601(7) 1 d D U P A -2
C57 C 0.3456(10) 1.1999(10) 0.3655(8) 0.127(2) Uani 0.468(9) 1 d D U P B 1
H57A H 0.402758 1.261972 0.428083 0.153 Uiso 0.468(9) 1 calc R U P B 1
H57B H 0.316106 1.165697 0.393333 0.153 Uiso 0.468(9) 1 calc R U P B 1
Cl3 Cl 0.3951(4) 1.1219(4) 0.2969(3) 0.1724(16) Uani 0.468(9) 1 d D U P B 1
Cl4 Cl 0.2491(8) 1.2309(7) 0.2820(6) 0.124(3) Uani 0.468(9) 1 d D U P B 1
C57' C 0.3456(10) 1.1999(10) 0.3655(8) 0.127(2) Uani 0.532(9) 1 d D U P B 2
H57C H 0.393637 1.231562 0.444534 0.153 Uiso 0.532(9) 1 calc R U P B 2
H57D H 0.277204 1.161195 0.346338 0.153 Uiso 0.532(9) 1 calc R U P B 2
Cl3' Cl 0.3951(4) 1.1219(4) 0.2969(3) 0.1724(16) Uani 0.532(9) 1 d D U P B 2
Cl4' Cl 0.3326(5) 1.2933(4) 0.3241(4) 0.0903(19) Uani 0.532(9) 1 d D U P B 2


_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
Au1 P1 2.3152(11) . ?
Au1 P2 2.3204(11) . ?
Au1 Pt1 2.90662(15) . ?
Pt1 C37 2.000(4) . ?
Pt1 C37 2.000(4) 2_665 ?
Pt1 P3 2.3222(11) 2_665 ?
Pt1 P3 2.3222(11) . ?
S1 C39 1.737(4) . ?
S1 C42 1.744(5) . ?
S2 O3 1.420(4) . ?
S2 O2 1.440(4) . ?
S2 O1 1.445(4) . ?
S2 C55 1.810(6) . ?
P1 C8 1.812(4) . ?
P1 C1 1.826(4) . ?
P1 C36 1.834(4) 2_665 ?
P2 C15 1.809(4) . ?
P2 C22 1.826(5) . ?
P2 C29 1.827(4) . ?
P3 C30 1.816(4) . ?
P3 C29 1.830(4) . ?
P3 C36 1.831(4) . ?
F1 C55 1.328(7) . ?
F2 C55 1.317(8) . ?
F3 C55 1.319(8) . ?
N1 C42 1.408(5) . ?
N1 C49 1.420(5) . ?
N1 C43 1.426(6) . ?
C1 C2 1.396(6) . ?
C1 C6 1.411(6) . ?
C2 C3 1.381(7) . ?
C3 C4 1.371(8) . ?
C4 C5 1.383(8) . ?
C5 C6 1.388(7) . ?
C6 C7 1.508(7) . ?
C8 C9 1.393(7) . ?
C8 C13 1.408(6) . ?
C9 C10 1.398(7) . ?
C10 C11 1.379(9) . ?
C11 C12 1.368(8) . ?
C12 C13 1.406(7) . ?
C13 C14 1.497(7) . ?
C15 C16 1.397(6) . ?
C15 C20 1.417(6) . ?
C16 C17 1.385(6) . ?
C17 C18 1.368(8) . ?
C18 C19 1.389(8) . ?
C19 C20 1.380(7) . ?
C20 C21 1.501(7) . ?
C22 C27 1.404(7) . ?
C22 C23 1.416(7) . ?
C23 C24 1.377(7) . ?
C24 C25 1.389(9) . ?
C25 C26 1.370(9) . ?
C26 C27 1.408(8) . ?
C27 C28 1.476(8) . ?
C30 C35 1.390(6) . ?
C30 C31 1.390(7) . ?
C31 C32 1.389(7) . ?
C32 C33 1.378(8) . ?
C33 C34 1.377(8) . ?
C34 C35 1.390(7) . ?
C37 C38 1.211(6) . ?
C38 C39 1.426(6) . ?
C39 C40 1.368(7) . ?
C40 C41 1.417(6) . ?
C41 C42 1.355(7) . ?
C43 C48 1.387(7) . ?
C43 C44 1.388(6) . ?
C44 C45 1.393(7) . ?
C45 C46 1.376(8) . ?
C46 C47 1.382(7) . ?
C47 C48 1.392(7) . ?
C49 C50 1.383(7) . ?
C49 C54 1.388(6) . ?
C50 C51 1.388(7) . ?
C51 C52 1.398(8) . ?
C52 C53 1.373(8) . ?
C53 C54 1.381(6) . ?
C56 Cl2 1.745(7) . ?
C56 Cl1 1.767(9) . ?
C56' Cl2' 1.745(7) . ?
C56' Cl1' 1.761(8) . ?
C57 Cl3 1.743(6) . ?
C57 Cl4 1.750(8) . ?
C57' Cl3' 1.743(6) . ?
C57' Cl4' 1.799(11) . ?

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
P1 Au1 P2 165.64(4) . . ?
P1 Au1 Pt1 95.01(3) . . ?
P2 Au1 Pt1 90.35(3) . . ?
C37 Pt1 C37 180.0 . 2_665 ?
C37 Pt1 P3 96.86(12) . 2_665 ?
C37 Pt1 P3 83.15(12) 2_665 2_665 ?
C37 Pt1 P3 83.14(12) . . ?
C37 Pt1 P3 96.86(12) 2_665 . ?
P3 Pt1 P3 180.00(4) 2_665 . ?
C37 Pt1 Au1 93.03(12) . . ?
C37 Pt1 Au1 86.97(12) 2_665 . ?
P3 Pt1 Au1 86.58(3) 2_665 . ?
P3 Pt1 Au1 93.42(3) . . ?
C37 Pt1 Au1 86.97(12) . 2_665 ?
C37 Pt1 Au1 93.03(12) 2_665 2_665 ?
P3 Pt1 Au1 93.42(3) 2_665 2_665 ?
P3 Pt1 Au1 86.58(3) . 2_665 ?
Au1 Pt1 Au1 180.0 . 2_665 ?
C39 S1 C42 91.1(2) . . ?
O3 S2 O2 115.7(3) . . ?
O3 S2 O1 115.2(3) . . ?
O2 S2 O1 114.0(2) . . ?
O3 S2 C55 103.5(3) . . ?
O2 S2 C55 103.2(3) . . ?
O1 S2 C55 102.8(3) . . ?
C8 P1 C1 112.0(2) . . ?
C8 P1 C36 105.9(2) . 2_665 ?
C1 P1 C36 107.9(2) . 2_665 ?
C8 P1 Au1 118.93(15) . . ?
C1 P1 Au1 101.56(15) . . ?
C36 P1 Au1 110.20(14) 2_665 . ?
C15 P2 C22 107.8(2) . . ?
C15 P2 C29 105.2(2) . . ?
C22 P2 C29 108.8(2) . . ?
C15 P2 Au1 115.10(15) . . ?
C22 P2 Au1 108.68(17) . . ?
C29 P2 Au1 111.06(14) . . ?
C30 P3 C29 105.5(2) . . ?
C30 P3 C36 102.4(2) . . ?
C29 P3 C36 102.46(19) . . ?
C30 P3 Pt1 125.99(15) . . ?
C29 P3 Pt1 107.27(14) . . ?
C36 P3 Pt1 110.80(15) . . ?
C42 N1 C49 117.7(4) . . ?
C42 N1 C43 118.7(3) . . ?
C49 N1 C43 122.4(4) . . ?
C2 C1 C6 119.7(4) . . ?
C2 C1 P1 119.7(3) . . ?
C6 C1 P1 119.6(3) . . ?
C3 C2 C1 120.8(4) . . ?
C4 C3 C2 119.8(5) . . ?
C3 C4 C5 119.8(5) . . ?
C4 C5 C6 122.2(5) . . ?
C5 C6 C1 117.5(4) . . ?
C5 C6 C7 119.3(4) . . ?
C1 C6 C7 123.2(4) . . ?
C9 C8 C13 120.6(4) . . ?
C9 C8 P1 115.9(4) . . ?
C13 C8 P1 123.5(3) . . ?
C8 C9 C10 120.1(5) . . ?
C11 C10 C9 119.8(5) . . ?
C12 C11 C10 120.2(5) . . ?
C11 C12 C13 122.2(5) . . ?
C12 C13 C8 117.2(4) . . ?
C12 C13 C14 119.1(4) . . ?
C8 C13 C14 123.6(4) . . ?
C16 C15 C20 119.8(4) . . ?
C16 C15 P2 120.0(3) . . ?
C20 C15 P2 120.2(3) . . ?
C17 C16 C15 120.6(4) . . ?
C18 C17 C16 120.1(5) . . ?
C17 C18 C19 119.3(4) . . ?
C20 C19 C18 122.8(5) . . ?
C19 C20 C15 117.3(5) . . ?
C19 C20 C21 119.7(4) . . ?
C15 C20 C21 123.0(4) . . ?
C27 C22 C23 119.9(4) . . ?
C27 C22 P2 123.7(4) . . ?
C23 C22 P2 116.2(4) . . ?
C24 C23 C22 121.5(5) . . ?
C23 C24 C25 118.1(6) . . ?
C26 C25 C24 121.5(5) . . ?
C25 C26 C27 121.7(6) . . ?
C22 C27 C26 117.2(5) . . ?
C22 C27 C28 124.2(5) . . ?
C26 C27 C28 118.6(5) . . ?
P2 C29 P3 113.6(2) . . ?
C35 C30 C31 118.7(4) . . ?
C35 C30 P3 122.9(4) . . ?
C31 C30 P3 118.3(3) . . ?
C32 C31 C30 120.7(5) . . ?
C33 C32 C31 120.1(5) . . ?
C34 C33 C32 119.7(5) . . ?
C33 C34 C35 120.6(5) . . ?
C30 C35 C34 120.2(5) . . ?
P3 C36 P1 112.0(2) . 2_665 ?
C38 C37 Pt1 174.9(4) . . ?
C37 C38 C39 175.0(5) . . ?
C40 C39 C38 129.4(4) . . ?
C40 C39 S1 111.1(3) . . ?
C38 C39 S1 119.5(3) . . ?
C39 C40 C41 113.2(4) . . ?
C42 C41 C40 112.9(4) . . ?
C41 C42 N1 128.1(4) . . ?
C41 C42 S1 111.6(3) . . ?
N1 C42 S1 120.2(4) . . ?
C48 C43 C44 119.9(4) . . ?
C48 C43 N1 120.8(4) . . ?
C44 C43 N1 119.4(4) . . ?
C43 C44 C45 119.7(5) . . ?
C46 C45 C44 120.7(5) . . ?
C45 C46 C47 119.5(5) . . ?
C46 C47 C48 120.6(5) . . ?
C43 C48 C47 119.7(4) . . ?
C50 C49 C54 119.0(4) . . ?
C50 C49 N1 120.1(4) . . ?
C54 C49 N1 120.9(4) . . ?
C49 C50 C51 120.8(5) . . ?
C50 C51 C52 119.7(5) . . ?
C53 C52 C51 119.1(4) . . ?
C52 C53 C54 121.1(4) . . ?
C53 C54 C49 120.2(5) . . ?
F2 C55 F3 106.7(6) . . ?
F2 C55 F1 107.0(6) . . ?
F3 C55 F1 108.2(5) . . ?
F2 C55 S2 111.2(4) . . ?
F3 C55 S2 112.2(5) . . ?
F1 C55 S2 111.3(4) . . ?
Cl2 C56 Cl1 111.5(6) . . ?
Cl2' C56' Cl1' 105.0(5) . . ?
Cl3 C57 Cl4 111.7(5) . . ?
Cl3' C57' Cl4' 105.9(5) . . ?

_refine_diff_density_max         1.580
_refine_diff_density_min         -1.235
_refine_diff_density_rms         0.123

####################################################################### 
# 
# 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_H_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2162252'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-03-26 deposited with the CCDC.	2022-05-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C114 H98 Au2 Cl24 F6 N2 O6 P6 Pt S6'
_chemical_formula_weight         3523.94

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'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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                   15.4306(3)
_cell_length_b                   22.5884(5)
_cell_length_c                   19.2667(4)
_cell_angle_alpha                90
_cell_angle_beta                 98.1950(10)
_cell_angle_gamma                90
_cell_volume                     6646.9(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9929
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      25.37

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            RED
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_F_000             3456
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    3.961
_shelx_estimated_absorpt_T_min   0.693
_shelx_estimated_absorpt_T_max   0.797
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.5191
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            40135
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.318
_diffrn_reflns_theta_max         25.386
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             12067
_reflns_number_gt                10747
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0247P)²+13.0812P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12067
_refine_ls_number_parameters     758
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0292
_refine_ls_wR_factor_ref         0.0723
_refine_ls_wR_factor_gt          0.0693
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Au1 Au 0.67492(2) 0.49181(2) 0.57604(2) 0.01684(5) Uani 1 1 d . . . . .
Pt1 Pt 0.500000 0.500000 0.500000 0.01379(5) Uani 1 2 d S . P . .
S1 S 0.48769(7) 0.75073(4) 0.55190(6) 0.0278(2) Uani 1 1 d . . . . .
S2 S 0.51582(8) 0.93274(5) 0.57673(6) 0.0367(3) Uani 1 1 d . . . . .
S3 S 0.34871(7) 0.32686(4) 0.73659(5) 0.0282(2) Uani 1 1 d . . . . .
P2 P 0.43264(6) 0.48759(4) 0.59863(5) 0.01530(18) Uani 1 1 d . . . . .
P3 P 0.25301(6) 0.46609(4) 0.51063(5) 0.01653(18) Uani 1 1 d . . . . .
P4 P 0.61782(6) 0.46728(4) 0.67775(5) 0.01707(19) Uani 1 1 d . . . . .
F1 F 0.4853(2) 0.33394(19) 0.83339(18) 0.0780(11) Uani 1 1 d . . . . .
F2 F 0.4335(2) 0.24692(16) 0.81712(18) 0.0763(11) Uani 1 1 d . . . . .
F3 F 0.3667(2) 0.31063(18) 0.87218(15) 0.0713(10) Uani 1 1 d . . . . .
O1 O 0.3258(2) 0.38698(14) 0.75071(16) 0.0468(9) Uani 1 1 d . . . . .
O2 O 0.2752(2) 0.28663(15) 0.72773(17) 0.0428(8) Uani 1 1 d . . . . .
O3 O 0.4087(2) 0.32008(13) 0.68651(15) 0.0365(7) Uani 1 1 d . . . . .
N1 N 0.6879(2) 0.83545(14) 0.50768(18) 0.0295(8) Uani 1 1 d . . . . .
C1 C 0.5182(2) 0.58727(16) 0.51060(18) 0.0199(8) Uani 1 1 d . . . . .
C2 C 0.5364(2) 0.63960(16) 0.51453(19) 0.0205(8) Uani 1 1 d . . . . .
C3 C 0.5591(3) 0.70030(16) 0.5198(2) 0.0240(8) Uani 1 1 d . . . . .
C4 C 0.6326(3) 0.72662(17) 0.5024(2) 0.0258(8) Uani 1 1 d . . . . .
H4 H 0.678531 0.706247 0.484475 0.031 Uiso 1 1 calc R U . . .
C5 C 0.6312(3) 0.78833(16) 0.5145(2) 0.0255(8) Uani 1 1 d . . . . .
C6 C 0.5575(3) 0.80848(16) 0.5412(2) 0.0250(8) Uani 1 1 d . . . . .
C7 C 0.5675(3) 0.87054(17) 0.5502(2) 0.0274(9) Uani 1 1 d . . . . .
C8 C 0.6476(3) 0.88537(16) 0.5302(2) 0.0279(9) Uani 1 1 d . . . . .
C9 C 0.6684(3) 0.94655(18) 0.5360(2) 0.0343(10) Uani 1 1 d . . . . .
H9 H 0.720668 0.963872 0.524559 0.041 Uiso 1 1 calc R U . . .
C10 C 0.6029(3) 0.97657(18) 0.5600(2) 0.0387(11) Uani 1 1 d . . . . .
H10 H 0.604451 1.018190 0.567167 0.046 Uiso 1 1 calc R U . . .
C11 C 0.7687(3) 0.83271(17) 0.4806(2) 0.0285(9) Uani 1 1 d . . . . .
C12 C 0.7718(3) 0.80493(19) 0.4165(2) 0.0319(9) Uani 1 1 d . . . . .
H12 H 0.720652 0.787802 0.391079 0.038 Uiso 1 1 calc R U . . .
C13 C 0.8509(3) 0.8028(2) 0.3905(2) 0.0409(11) Uani 1 1 d . . . . .
H13 H 0.854323 0.783451 0.347148 0.049 Uiso 1 1 calc R U . . .
C14 C 0.9251(3) 0.8286(2) 0.4272(3) 0.0501(13) Uani 1 1 d . . . . .
H14 H 0.978974 0.827281 0.408729 0.060 Uiso 1 1 calc R U . . .
C15 C 0.9207(3) 0.8560(2) 0.4903(3) 0.0481(13) Uani 1 1 d . . . . .
H15 H 0.971639 0.873776 0.515404 0.058 Uiso 1 1 calc R U . . .
C16 C 0.8424(3) 0.85793(19) 0.5175(2) 0.0388(11) Uani 1 1 d . . . . .
H16 H 0.839568 0.876531 0.561330 0.047 Uiso 1 1 calc R U . . .
C17 C 0.1986(2) 0.39903(15) 0.47308(19) 0.0197(7) Uani 1 1 d . . . . .
C18 C 0.2034(3) 0.38814(17) 0.4022(2) 0.0267(8) Uani 1 1 d . . . . .
H18 H 0.231510 0.416315 0.376323 0.032 Uiso 1 1 calc R U . . .
C19 C 0.1685(3) 0.33752(18) 0.3687(2) 0.0333(10) Uani 1 1 d . . . . .
H19 H 0.172744 0.330992 0.320589 0.040 Uiso 1 1 calc R U . . .
C20 C 0.1274(3) 0.29658(18) 0.4062(2) 0.0311(9) Uani 1 1 d . . . . .
H20 H 0.104008 0.261284 0.384167 0.037 Uiso 1 1 calc R U . . .
C21 C 0.1204(2) 0.30716(17) 0.4758(2) 0.0268(9) Uani 1 1 d . . . . .
H21 H 0.090694 0.279122 0.500614 0.032 Uiso 1 1 calc R U . . .
C22 C 0.1557(2) 0.35769(16) 0.51101(19) 0.0216(8) Uani 1 1 d . . . . .
C23 C 0.1482(3) 0.36452(19) 0.5877(2) 0.0318(9) Uani 1 1 d . . . . .
H23A H 0.102216 0.338176 0.599921 0.048 Uiso 1 1 calc R U . . .
H23B H 0.133291 0.405624 0.597187 0.048 Uiso 1 1 calc R U . . .
H23C H 0.204141 0.354204 0.615797 0.048 Uiso 1 1 calc R U . . .
C24 C 0.1746(2) 0.51259(16) 0.5483(2) 0.0221(8) Uani 1 1 d . . . . .
C25 C 0.1811(3) 0.52039(18) 0.6207(2) 0.0277(9) Uani 1 1 d . . . . .
H25 H 0.224057 0.498955 0.650938 0.033 Uiso 1 1 calc R U . . .
C26 C 0.1258(3) 0.5589(2) 0.6493(2) 0.0377(10) Uani 1 1 d . . . . .
H26 H 0.130175 0.563444 0.698702 0.045 Uiso 1 1 calc R U . . .
C27 C 0.0646(3) 0.5904(2) 0.6052(3) 0.0445(12) Uani 1 1 d . . . . .
H27 H 0.027516 0.617810 0.624039 0.053 Uiso 1 1 calc R U . . .
C28 C 0.0570(3) 0.5822(2) 0.5340(3) 0.0444(12) Uani 1 1 d . . . . .
H28 H 0.013413 0.603742 0.504434 0.053 Uiso 1 1 calc R U . . .
C29 C 0.1108(2) 0.54345(18) 0.5034(2) 0.0284(9) Uani 1 1 d . . . . .
C30 C 0.0982(3) 0.5362(2) 0.4252(2) 0.0380(11) Uani 1 1 d . . . . .
H30A H 0.046102 0.558258 0.404572 0.057 Uiso 1 1 calc R U . . .
H30B H 0.090614 0.494197 0.413318 0.057 Uiso 1 1 calc R U . . .
H30C H 0.149676 0.551574 0.406563 0.057 Uiso 1 1 calc R U . . .
C31 C 0.3347(2) 0.44025(15) 0.58277(18) 0.0175(7) Uani 1 1 d . . . . .
H31A H 0.352845 0.399597 0.572163 0.021 Uiso 1 1 calc R U . . .
H31B H 0.307272 0.438463 0.626160 0.021 Uiso 1 1 calc R U . . .
C32 C 0.3964(2) 0.55140(16) 0.64372(19) 0.0196(7) Uani 1 1 d . . . . .
C33 C 0.3661(2) 0.60082(17) 0.6047(2) 0.0245(8) Uani 1 1 d . . . . .
H33 H 0.370253 0.602143 0.555992 0.029 Uiso 1 1 calc R U . . .
C34 C 0.3299(3) 0.64814(18) 0.6360(2) 0.0317(9) Uani 1 1 d . . . . .
H34 H 0.309632 0.681770 0.608859 0.038 Uiso 1 1 calc R U . . .
C35 C 0.3233(3) 0.64656(19) 0.7066(2) 0.0339(10) Uani 1 1 d . . . . .
H35 H 0.298231 0.678979 0.728118 0.041 Uiso 1 1 calc R U . . .
C36 C 0.3533(3) 0.59731(19) 0.7462(2) 0.0341(10) Uani 1 1 d . . . . .
H36 H 0.349056 0.596314 0.794870 0.041 Uiso 1 1 calc R U . . .
C37 C 0.3895(3) 0.54965(18) 0.7152(2) 0.0265(8) Uani 1 1 d . . . . .
H37 H 0.409494 0.515985 0.742422 0.032 Uiso 1 1 calc R U . . .
C38 C 0.6782(2) 0.40755(16) 0.72601(18) 0.0202(8) Uani 1 1 d . . . . .
C39 C 0.7671(3) 0.41534(18) 0.75271(19) 0.0248(8) Uani 1 1 d . . . . .
C40 C 0.8144(3) 0.47341(19) 0.7497(2) 0.0302(9) Uani 1 1 d . . . . .
H40A H 0.801897 0.489809 0.702219 0.045 Uiso 1 1 calc R U . . .
H40B H 0.877567 0.467000 0.761710 0.045 Uiso 1 1 calc R U . . .
H40C H 0.794499 0.501194 0.783147 0.045 Uiso 1 1 calc R U . . .
C41 C 0.8121(3) 0.3670(2) 0.7859(2) 0.0328(10) Uani 1 1 d . . . . .
H41 H 0.871995 0.371455 0.805001 0.039 Uiso 1 1 calc R U . . .
C42 C 0.7717(3) 0.3132(2) 0.7915(2) 0.0405(11) Uani 1 1 d . . . . .
H42 H 0.803966 0.281067 0.814171 0.049 Uiso 1 1 calc R U . . .
C43 C 0.6850(3) 0.30550(19) 0.7645(2) 0.0347(10) Uani 1 1 d . . . . .
H43 H 0.657517 0.268234 0.768245 0.042 Uiso 1 1 calc R U . . .
C44 C 0.6377(3) 0.35269(17) 0.7315(2) 0.0267(9) Uani 1 1 d . . . . .
H44A H 0.577828 0.347611 0.712774 0.032 Uiso 1 1 calc R U . . .
C45 C 0.6151(2) 0.53367(16) 0.73160(19) 0.0208(8) Uani 1 1 d . . . . .
C46 C 0.6109(2) 0.58721(17) 0.6944(2) 0.0249(8) Uani 1 1 d . . . . .
H46 H 0.612306 0.586599 0.645240 0.030 Uiso 1 1 calc R U . . .
C47 C 0.6046(3) 0.64069(18) 0.7278(2) 0.0351(10) Uani 1 1 d . . . . .
H47 H 0.600952 0.676614 0.701870 0.042 Uiso 1 1 calc R U . . .
C48 C 0.6038(3) 0.6414(2) 0.7991(2) 0.0419(11) Uani 1 1 d . . . . .
H48 H 0.601018 0.678061 0.822856 0.050 Uiso 1 1 calc R U . . .
C49 C 0.6071(3) 0.5894(2) 0.8361(2) 0.0370(11) Uani 1 1 d . . . . .
H49 H 0.605971 0.590905 0.885196 0.044 Uiso 1 1 calc R U . . .
C50 C 0.6119(3) 0.53419(19) 0.8039(2) 0.0272(9) Uani 1 1 d . . . . .
C51 C 0.6147(3) 0.4792(2) 0.8480(2) 0.0356(10) Uani 1 1 d . . . . .
H51A H 0.568253 0.452070 0.827912 0.053 Uiso 1 1 calc R U . . .
H51B H 0.606064 0.489768 0.895849 0.053 Uiso 1 1 calc R U . . .
H51C H 0.671747 0.459849 0.848961 0.053 Uiso 1 1 calc R U . . .
C52 C 0.5041(2) 0.44195(15) 0.66146(18) 0.0185(7) Uani 1 1 d . . . . .
H52A H 0.480242 0.441449 0.706498 0.022 Uiso 1 1 calc R U . . .
H52B H 0.503089 0.400796 0.643683 0.022 Uiso 1 1 calc R U . . .
C53 C 0.4113(3) 0.3030(2) 0.8191(3) 0.0451(12) Uani 1 1 d . . . . .
Cl1 Cl 0.22393(11) 0.50943(7) 0.86646(8) 0.0649(4) Uani 1 1 d . . . . .
Cl4 Cl 0.64441(8) 1.15790(6) 0.36041(6) 0.0495(3) Uani 1 1 d . . . . .
Cl5 Cl 0.55826(11) 1.09135(7) 0.24197(7) 0.0660(4) Uani 1 1 d . . . . .
Cl7 Cl 0.50096(11) 0.79216(7) 0.34293(8) 0.0700(4) Uani 1 1 d . . . . .
Cl2 Cl 0.28769(11) 0.42434(6) 0.97375(7) 0.0620(4) Uani 1 1 d . . . . .
Cl8 Cl 0.34810(10) 0.86537(7) 0.34862(10) 0.0728(4) Uani 1 1 d . . . . .
Cl3 Cl 0.40869(12) 0.49054(9) 0.90362(11) 0.0850(5) Uani 1 1 d . . . . .
Cl6 Cl 0.53054(10) 1.21776(8) 0.25186(8) 0.0689(4) Uani 1 1 d . . . . .
Cl10 Cl 0.70416(18) 0.33119(9) 0.56396(9) 0.1043(8) Uani 1 1 d . . . . .
Cl11 Cl 0.77847(16) 0.22711(9) 0.51406(11) 0.1073(8) Uani 1 1 d . . . . .
Cl9 Cl 0.51041(13) 0.91952(9) 0.32976(15) 0.1081(8) Uani 1 1 d . . . . .
Cl12 Cl 0.8860(2) 0.30291(10) 0.60996(15) 0.1457(12) Uani 1 1 d . . . . .
C54 C 0.3058(3) 0.4572(2) 0.8939(2) 0.0437(11) Uani 1 1 d . . . . .
H54 H 0.303793 0.425605 0.857356 0.052 Uiso 1 1 calc R U . . .
C56 C 0.4635(4) 0.8601(2) 0.3691(3) 0.0543(14) Uani 1 1 d . . . . .
H56 H 0.479534 0.863636 0.421057 0.065 Uiso 1 1 calc R U . . .
C55 C 0.6063(3) 1.1594(2) 0.2705(2) 0.0420(11) Uani 1 1 d . . . . .
H55 H 0.657139 1.166900 0.244840 0.050 Uiso 1 1 calc R U . . .
C57 C 0.7920(10) 0.2924(6) 0.5556(10) 0.348(15) Uani 1 1 d . . . . .
H57 H 0.809079 0.315288 0.515282 0.417 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
Au1 P4 2.3272(9) . ?
Au1 P3 2.3365(9) 3_666 ?
Au1 Pt1 2.88763(14) . ?
Pt1 C1 1.998(4) 3_666 ?
Pt1 C1 1.998(4) . ?
Pt1 P2 2.3093(9) . ?
Pt1 P2 2.3094(9) 3_666 ?
S1 C6 1.722(4) . ?
S1 C3 1.757(4) . ?
S2 C7 1.729(4) . ?
S2 C10 1.736(5) . ?
S3 O3 1.437(3) . ?
S3 O1 1.439(3) . ?
S3 O2 1.444(3) . ?
S3 C53 1.820(5) . ?
P2 C32 1.812(4) . ?
P2 C52 1.834(3) . ?
P2 C31 1.841(3) . ?
P3 C24 1.829(4) . ?
P3 C17 1.830(4) . ?
P3 C31 1.833(3) . ?
P4 C38 1.818(4) . ?
P4 C45 1.827(4) . ?
P4 C52 1.829(4) . ?
F1 C53 1.334(6) . ?
F2 C53 1.314(6) . ?
F3 C53 1.322(6) . ?
N1 C8 1.387(5) . ?
N1 C5 1.396(5) . ?
N1 C11 1.421(5) . ?
C1 C2 1.215(5) . ?
C2 C3 1.415(5) . ?
C3 C4 1.365(5) . ?
C4 C5 1.414(5) . ?
C5 C6 1.390(6) . ?
C6 C7 1.418(5) . ?
C7 C8 1.386(6) . ?
C8 C9 1.420(5) . ?
C9 C10 1.352(7) . ?
C11 C16 1.375(6) . ?
C11 C12 1.392(6) . ?
C12 C13 1.385(6) . ?
C13 C14 1.385(7) . ?
C14 C15 1.377(8) . ?
C15 C16 1.384(7) . ?
C17 C18 1.400(5) . ?
C17 C22 1.408(5) . ?
C18 C19 1.384(5) . ?
C19 C20 1.382(6) . ?
C20 C21 1.382(6) . ?
C21 C22 1.397(5) . ?
C22 C23 1.506(5) . ?
C24 C25 1.396(6) . ?
C24 C29 1.400(5) . ?
C25 C26 1.385(6) . ?
C26 C27 1.376(7) . ?
C27 C28 1.373(7) . ?
C28 C29 1.394(6) . ?
C29 C30 1.501(6) . ?
C32 C33 1.389(5) . ?
C32 C37 1.397(5) . ?
C33 C34 1.384(5) . ?
C34 C35 1.379(6) . ?
C35 C36 1.390(6) . ?
C36 C37 1.386(6) . ?
C38 C44 1.398(5) . ?
C38 C39 1.406(5) . ?
C39 C41 1.398(5) . ?
C39 C40 1.506(6) . ?
C41 C42 1.379(6) . ?
C42 C43 1.376(6) . ?
C43 C44 1.392(5) . ?
C45 C50 1.402(5) . ?
C45 C46 1.403(5) . ?
C46 C47 1.379(6) . ?
C47 C48 1.377(6) . ?
C48 C49 1.370(7) . ?
C49 C50 1.399(6) . ?
C50 C51 1.502(6) . ?
Cl1 C54 1.753(5) . ?
Cl4 C55 1.748(5) . ?
Cl5 C55 1.761(5) . ?
Cl7 C56 1.740(5) . ?
Cl2 C54 1.766(5) . ?
Cl8 C56 1.772(6) . ?
Cl3 C54 1.743(5) . ?
Cl6 C55 1.764(5) . ?
Cl10 C57 1.642(12) . ?
Cl11 C57 1.677(9) . ?
Cl9 C56 1.747(6) . ?
Cl12 C57 1.679(9) . ?

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
P4 Au1 P3 167.07(3) . 3_666 ?
P4 Au1 Pt1 90.21(2) . . ?
P3 Au1 Pt1 96.72(2) 3_666 . ?
C1 Pt1 C1 180.0 3_666 . ?
C1 Pt1 P2 83.74(10) 3_666 . ?
C1 Pt1 P2 96.26(10) . . ?
C1 Pt1 P2 96.26(10) 3_666 3_666 ?
C1 Pt1 P2 83.74(10) . 3_666 ?
P2 Pt1 P2 180.0 . 3_666 ?
C1 Pt1 Au1 95.54(10) 3_666 . ?
C1 Pt1 Au1 84.46(10) . . ?
P2 Pt1 Au1 94.16(2) . . ?
P2 Pt1 Au1 85.84(2) 3_666 . ?
C1 Pt1 Au1 84.46(10) 3_666 3_666 ?
C1 Pt1 Au1 95.54(10) . 3_666 ?
P2 Pt1 Au1 85.84(2) . 3_666 ?
P2 Pt1 Au1 94.16(2) 3_666 3_666 ?
Au1 Pt1 Au1 180.0 . 3_666 ?
C6 S1 C3 90.86(18) . . ?
C7 S2 C10 90.4(2) . . ?
O3 S3 O1 115.24(19) . . ?
O3 S3 O2 115.04(19) . . ?
O1 S3 O2 114.0(2) . . ?
O3 S3 C53 104.1(2) . . ?
O1 S3 C53 103.2(2) . . ?
O2 S3 C53 103.1(2) . . ?
C32 P2 C52 109.17(17) . . ?
C32 P2 C31 103.83(16) . . ?
C52 P2 C31 100.68(16) . . ?
C32 P2 Pt1 120.26(13) . . ?
C52 P2 Pt1 108.21(12) . . ?
C31 P2 Pt1 112.90(12) . . ?
C24 P3 C17 109.90(17) . . ?
C24 P3 C31 107.68(17) . . ?
C17 P3 C31 105.26(16) . . ?
C24 P3 Au1 117.33(13) . 3_666 ?
C17 P3 Au1 107.01(12) . 3_666 ?
C31 P3 Au1 109.01(12) . 3_666 ?
C38 P4 C45 111.73(17) . . ?
C38 P4 C52 105.33(17) . . ?
C45 P4 C52 104.78(17) . . ?
C38 P4 Au1 112.30(12) . . ?
C45 P4 Au1 108.95(12) . . ?
C52 P4 Au1 113.51(12) . . ?
C8 N1 C5 106.0(3) . . ?
C8 N1 C11 127.4(3) . . ?
C5 N1 C11 126.6(3) . . ?
C2 C1 Pt1 174.1(3) . . ?
C1 C2 C3 178.9(4) . . ?
C4 C3 C2 127.6(4) . . ?
C4 C3 S1 112.9(3) . . ?
C2 C3 S1 119.5(3) . . ?
C3 C4 C5 110.8(4) . . ?
C6 C5 N1 110.0(3) . . ?
C6 C5 C4 114.6(3) . . ?
N1 C5 C4 135.3(4) . . ?
C5 C6 C7 106.7(4) . . ?
C5 C6 S1 110.8(3) . . ?
C7 C6 S1 142.5(3) . . ?
C8 C7 C6 106.9(4) . . ?
C8 C7 S2 110.7(3) . . ?
C6 C7 S2 142.4(4) . . ?
C7 C8 N1 110.3(3) . . ?
C7 C8 C9 114.5(4) . . ?
N1 C8 C9 135.2(4) . . ?
C10 C9 C8 110.1(4) . . ?
C9 C10 S2 114.4(3) . . ?
C16 C11 C12 121.0(4) . . ?
C16 C11 N1 119.8(4) . . ?
C12 C11 N1 119.2(4) . . ?
C13 C12 C11 118.7(4) . . ?
C12 C13 C14 120.5(5) . . ?
C15 C14 C13 120.0(5) . . ?
C14 C15 C16 120.2(5) . . ?
C11 C16 C15 119.6(4) . . ?
C18 C17 C22 119.0(3) . . ?
C18 C17 P3 116.5(3) . . ?
C22 C17 P3 124.5(3) . . ?
C19 C18 C17 121.9(4) . . ?
C20 C19 C18 119.1(4) . . ?
C21 C20 C19 119.8(4) . . ?
C20 C21 C22 122.3(4) . . ?
C21 C22 C17 118.0(3) . . ?
C21 C22 C23 118.7(3) . . ?
C17 C22 C23 123.3(3) . . ?
C25 C24 C29 119.9(4) . . ?
C25 C24 P3 120.8(3) . . ?
C29 C24 P3 119.2(3) . . ?
C26 C25 C24 121.1(4) . . ?
C27 C26 C25 119.1(4) . . ?
C28 C27 C26 120.1(4) . . ?
C27 C28 C29 122.3(4) . . ?
C28 C29 C24 117.5(4) . . ?
C28 C29 C30 119.5(4) . . ?
C24 C29 C30 123.1(4) . . ?
P3 C31 P2 113.60(19) . . ?
C33 C32 C37 119.3(3) . . ?
C33 C32 P2 118.9(3) . . ?
C37 C32 P2 121.5(3) . . ?
C34 C33 C32 120.7(4) . . ?
C35 C34 C33 120.1(4) . . ?
C34 C35 C36 119.7(4) . . ?
C37 C36 C35 120.6(4) . . ?
C36 C37 C32 119.6(4) . . ?
C44 C38 C39 120.4(3) . . ?
C44 C38 P4 119.7(3) . . ?
C39 C38 P4 119.7(3) . . ?
C41 C39 C38 117.7(4) . . ?
C41 C39 C40 119.0(4) . . ?
C38 C39 C40 123.2(3) . . ?
C42 C41 C39 121.6(4) . . ?
C43 C42 C41 120.5(4) . . ?
C42 C43 C44 119.6(4) . . ?
C43 C44 C38 120.2(4) . . ?
C50 C45 C46 119.7(3) . . ?
C50 C45 P4 125.3(3) . . ?
C46 C45 P4 114.9(3) . . ?
C47 C46 C45 121.2(4) . . ?
C48 C47 C46 119.2(4) . . ?
C49 C48 C47 120.2(4) . . ?
C48 C49 C50 122.3(4) . . ?
C49 C50 C45 117.3(4) . . ?
C49 C50 C51 119.1(4) . . ?
C45 C50 C51 123.6(4) . . ?
P4 C52 P2 114.15(19) . . ?
F2 C53 F3 108.3(4) . . ?
F2 C53 F1 107.0(4) . . ?
F3 C53 F1 107.3(4) . . ?
F2 C53 S3 111.6(4) . . ?
F3 C53 S3 111.6(3) . . ?
F1 C53 S3 110.9(4) . . ?
Cl3 C54 Cl1 110.4(3) . . ?
Cl3 C54 Cl2 110.0(3) . . ?
Cl1 C54 Cl2 110.4(3) . . ?
Cl7 C56 Cl9 112.1(3) . . ?
Cl7 C56 Cl8 111.1(3) . . ?
Cl9 C56 Cl8 108.5(3) . . ?
Cl4 C55 Cl5 111.1(3) . . ?
Cl4 C55 Cl6 109.7(3) . . ?
Cl5 C55 Cl6 110.6(3) . . ?
Cl10 C57 Cl11 117.9(8) . . ?
Cl10 C57 Cl12 121.0(6) . . ?
Cl11 C57 Cl12 117.4(5) . . ?

_refine_diff_density_max         1.234
_refine_diff_density_min         -1.294
_refine_diff_density_rms         0.102

####################################################################### 
# 
# 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_z_sq
_database_code_depnum_ccdc_archive 'CCDC 2162253'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-03-26 deposited with the CCDC.	2022-05-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C119 H112 Au2 Cl10 F6 N2 O6 P6 Pt S2'
_chemical_formula_weight         2973.56

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'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.6188(12)
_cell_length_b                   21.4619(15)
_cell_length_c                   21.4844(14)
_cell_angle_alpha                116.219(2)
_cell_angle_beta                 99.238(2)
_cell_angle_gamma                105.677(2)
_cell_volume                     6638.3(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9045
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      25.41

_exptl_crystal_description       bar
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_F_000             2940
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    3.618
_shelx_estimated_absorpt_T_min   0.531
_shelx_estimated_absorpt_T_max   0.812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4410
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            59237
_diffrn_reflns_av_unetI/netI     0.0507
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.348
_diffrn_reflns_theta_max         25.446
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             24168
_reflns_number_gt                18966
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.006 0.003 -0.005 2132 612 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0710P)²+2.4217P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         24168
_refine_ls_number_parameters     1262
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0395
_refine_ls_wR_factor_ref         0.1192
_refine_ls_wR_factor_gt          0.1081
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Au1 Au 0.67085(2) 0.23585(2) 0.63929(2) 0.03296(7) Uani 1 1 d . . . . .
Au2 Au 0.51811(2) 0.45339(2) 0.78472(2) 0.02972(7) Uani 1 1 d . . . . .
Pt1 Pt 0.60774(2) 0.35893(2) 0.70681(2) 0.02867(6) Uani 1 1 d . . . . .
S1 S 0.21733(13) 0.09361(11) 0.46459(12) 0.0717(6) Uani 1 1 d . . . . .
S2 S 0.77682(10) 0.39286(10) 1.04247(9) 0.0500(4) Uani 1 1 d . . . . .
P1 P 0.57122(9) 0.18763(8) 0.52754(7) 0.0314(3) Uani 1 1 d . . . . .
P2 P 0.49112(9) 0.29727(8) 0.60308(7) 0.0289(3) Uani 1 1 d . . . . .
P3 P 0.39286(8) 0.38067(8) 0.68848(7) 0.0294(3) Uani 1 1 d . . . . .
P4 P 0.75712(9) 0.26837(8) 0.75189(8) 0.0353(3) Uani 1 1 d . . . . .
P5 P 0.71124(9) 0.40671(8) 0.81729(8) 0.0315(3) Uani 1 1 d . . . . .
P6 P 0.63282(8) 0.51927(8) 0.89037(7) 0.0294(3) Uani 1 1 d . . . . .
F1 F 0.2252(5) 0.0012(3) 0.5107(3) 0.128(2) Uani 1 1 d . . . . .
F2 F 0.1679(5) 0.0766(4) 0.5651(4) 0.151(3) Uani 1 1 d . . . . .
F3 F 0.3030(3) 0.1189(3) 0.5886(3) 0.0895(15) Uani 1 1 d . . . . .
F4 F 0.6313(3) 0.3106(3) 0.9419(2) 0.0897(16) Uani 1 1 d . . . . .
F5 F 0.6749(4) 0.2557(3) 0.9936(4) 0.134(3) Uani 1 1 d . . . . .
F6 F 0.6295(3) 0.3394(3) 1.0511(3) 0.112(2) Uani 1 1 d . . . . .
O1 O 0.1413(4) 0.0339(3) 0.4079(3) 0.100(2) Uani 1 1 d . . . . .
O2 O 0.2148(4) 0.1672(3) 0.5026(3) 0.0871(19) Uani 1 1 d . . . . .
O3 O 0.2905(3) 0.0923(3) 0.4454(3) 0.0882(19) Uani 1 1 d . . . . .
O4 O 0.8148(3) 0.3603(3) 0.9882(2) 0.0695(16) Uani 1 1 d . . . . .
O5 O 0.7594(4) 0.4560(3) 1.0435(3) 0.0751(15) Uani 1 1 d . . . . .
O6 O 0.8117(3) 0.4046(4) 1.1130(3) 0.0773(17) Uani 1 1 d . . . . .
N1 N 0.3191(4) 0.0510(3) 0.8353(3) 0.0548(15) Uani 1 1 d . . . . .
N2 N 0.9138(4) 0.7198(4) 0.6545(4) 0.077(2) Uani 1 1 d . . . . .
C1 C 0.4780(3) 0.1987(3) 0.5498(3) 0.0296(12) Uani 1 1 d . . . . .
H1A H 0.463623 0.173784 0.578056 0.036 Uiso 1 1 calc R U . . .
H1B H 0.430933 0.172969 0.503701 0.036 Uiso 1 1 calc R U . . .
C2 C 0.3960(3) 0.2899(3) 0.6286(3) 0.0300(12) Uani 1 1 d . . . . .
H2A H 0.347210 0.261835 0.583445 0.036 Uiso 1 1 calc R U . . .
H2B H 0.391353 0.260466 0.653659 0.036 Uiso 1 1 calc R U . . .
C3 C 0.5967(4) 0.2348(3) 0.4765(3) 0.0403(14) Uani 1 1 d . . . . .
C4 C 0.5454(4) 0.2126(4) 0.4077(3) 0.0490(16) Uani 1 1 d . . . . .
C5 C 0.5717(6) 0.2549(5) 0.3751(4) 0.066(2) Uani 1 1 d . . . . .
H5 H 0.537060 0.241665 0.328802 0.079 Uiso 1 1 calc R U . . .
C6 C 0.6475(6) 0.3158(5) 0.4092(5) 0.072(2) Uani 1 1 d . . . . .
H6 H 0.664797 0.343158 0.385838 0.087 Uiso 1 1 calc R U . . .
C7 C 0.6979(5) 0.3368(4) 0.4772(5) 0.064(2) Uani 1 1 d . . . . .
H7 H 0.749971 0.378317 0.500607 0.077 Uiso 1 1 calc R U . . .
C8 C 0.6721(4) 0.2971(4) 0.5106(4) 0.0469(15) Uani 1 1 d . . . . .
H8 H 0.706227 0.312301 0.557803 0.056 Uiso 1 1 calc R U . . .
C9 C 0.4646(4) 0.1427(4) 0.3633(3) 0.0571(19) Uani 1 1 d . . . . .
H9A H 0.431954 0.146163 0.324354 0.086 Uiso 1 1 calc R U . . .
H9B H 0.432260 0.139397 0.395641 0.086 Uiso 1 1 calc R U . . .
H9C H 0.477734 0.097760 0.341503 0.086 Uiso 1 1 calc R U . . .
C10 C 0.5424(4) 0.0877(3) 0.4660(3) 0.0351(13) Uani 1 1 d . . . . .
C11 C 0.6020(4) 0.0611(3) 0.4387(3) 0.0390(14) Uani 1 1 d . . . . .
C12 C 0.5773(4) -0.0158(4) 0.3919(3) 0.0493(16) Uani 1 1 d . . . . .
H12 H 0.616418 -0.034581 0.372672 0.059 Uiso 1 1 calc R U . . .
C13 C 0.4973(4) -0.0655(3) 0.3725(3) 0.0488(16) Uani 1 1 d . . . . .
H13 H 0.481696 -0.117726 0.339778 0.059 Uiso 1 1 calc R U . . .
C14 C 0.4400(4) -0.0393(3) 0.4008(3) 0.0431(14) Uani 1 1 d . . . . .
H14 H 0.385464 -0.073854 0.388449 0.052 Uiso 1 1 calc R U . . .
C15 C 0.4613(4) 0.0368(3) 0.4469(3) 0.0411(14) Uani 1 1 d . . . . .
H15 H 0.421393 0.054621 0.465575 0.049 Uiso 1 1 calc R U . . .
C16 C 0.6910(4) 0.1142(4) 0.4588(4) 0.0518(17) Uani 1 1 d . . . . .
H16A H 0.726335 0.085216 0.446862 0.078 Uiso 1 1 calc R U . . .
H16B H 0.712238 0.151337 0.511418 0.078 Uiso 1 1 calc R U . . .
H16C H 0.691561 0.140158 0.430980 0.078 Uiso 1 1 calc R U . . .
C17 C 0.4697(4) 0.3229(3) 0.5340(3) 0.0372(13) Uani 1 1 d . . . . .
C18 C 0.5216(4) 0.3891(3) 0.5398(3) 0.0445(15) Uani 1 1 d . . . . .
H18 H 0.571621 0.421528 0.580124 0.053 Uiso 1 1 calc R U . . .
C19 C 0.4996(5) 0.4071(4) 0.4867(4) 0.0565(18) Uani 1 1 d . . . . .
H19 H 0.534503 0.452178 0.491030 0.068 Uiso 1 1 calc R U . . .
C20 C 0.4274(5) 0.3597(5) 0.4275(4) 0.062(2) Uani 1 1 d . . . . .
H20 H 0.413353 0.371712 0.390757 0.075 Uiso 1 1 calc R U . . .
C21 C 0.3747(5) 0.2940(4) 0.4216(4) 0.0577(18) Uani 1 1 d . . . . .
H21 H 0.324715 0.261730 0.381214 0.069 Uiso 1 1 calc R U . . .
C22 C 0.3961(4) 0.2765(4) 0.4749(3) 0.0431(15) Uani 1 1 d . . . . .
H22 H 0.360106 0.232307 0.471235 0.052 Uiso 1 1 calc R U . . .
C23 C 0.3605(4) 0.4172(3) 0.6316(3) 0.0376(13) Uani 1 1 d . . . . .
C24 C 0.4059(5) 0.4860(4) 0.6403(4) 0.0568(19) Uani 1 1 d . . . . .
C25 C 0.3653(6) 0.5095(4) 0.5942(4) 0.068(2) Uani 1 1 d . . . . .
H25A H 0.392556 0.556549 0.598228 0.081 Uiso 1 1 calc R U . . .
C26 C 0.2868(6) 0.4615(5) 0.5449(4) 0.073(2) Uani 1 1 d . . . . .
H26 H 0.260220 0.477361 0.515910 0.087 Uiso 1 1 calc R U . . .
C27 C 0.2445(6) 0.3928(6) 0.5351(4) 0.078(3) Uani 1 1 d . . . . .
H27 H 0.191438 0.360830 0.498502 0.094 Uiso 1 1 calc R U . . .
C28 C 0.2791(5) 0.3712(5) 0.5778(3) 0.063(2) Uani 1 1 d . . . . .
H28 H 0.249118 0.324185 0.572502 0.075 Uiso 1 1 calc R U . . .
C29 C 0.4886(5) 0.5369(4) 0.6902(4) 0.071(2) Uani 1 1 d . . . . .
H29A H 0.526968 0.510861 0.680813 0.086 Uiso 1 1 calc R U . . .
H29B H 0.488402 0.554721 0.740739 0.086 Uiso 1 1 calc R U . . .
H29C H 0.506631 0.579977 0.683041 0.086 Uiso 1 1 calc R U . . .
C30 C 0.3038(3) 0.3572(3) 0.7186(3) 0.0328(12) Uani 1 1 d . . . . .
C31 C 0.2816(3) 0.4140(3) 0.7650(3) 0.0365(13) Uani 1 1 d . . . . .
C32 C 0.2162(4) 0.3942(4) 0.7893(4) 0.0511(17) Uani 1 1 d . . . . .
H32 H 0.200262 0.432293 0.820847 0.061 Uiso 1 1 calc R U . . .
C33 C 0.1735(4) 0.3206(4) 0.7688(4) 0.063(2) Uani 1 1 d . . . . .
H33 H 0.129792 0.308960 0.787479 0.076 Uiso 1 1 calc R U . . .
C34 C 0.1934(4) 0.2632(4) 0.7212(4) 0.0533(17) Uani 1 1 d . . . . .
H34 H 0.162503 0.212164 0.705666 0.064 Uiso 1 1 calc R U . . .
C35 C 0.2593(4) 0.2821(3) 0.6970(3) 0.0430(15) Uani 1 1 d . . . . .
H35 H 0.274793 0.243644 0.665319 0.052 Uiso 1 1 calc R U . . .
C36 C 0.3252(4) 0.4950(3) 0.7880(3) 0.0445(15) Uani 1 1 d . . . . .
H36A H 0.304771 0.526370 0.824752 0.067 Uiso 1 1 calc R U . . .
H36B H 0.314058 0.500911 0.745174 0.067 Uiso 1 1 calc R U . . .
H36C H 0.385387 0.510507 0.809036 0.067 Uiso 1 1 calc R U . . .
C37 C 0.7235(3) 0.3278(3) 0.8236(3) 0.0346(13) Uani 1 1 d . . . . .
H37A H 0.764731 0.347754 0.871786 0.042 Uiso 1 1 calc R U . . .
H37B H 0.669667 0.296266 0.821932 0.042 Uiso 1 1 calc R U . . .
C38 C 0.6718(3) 0.4494(3) 0.8934(3) 0.0333(12) Uani 1 1 d . . . . .
H38A H 0.626222 0.409189 0.891789 0.040 Uiso 1 1 calc R U . . .
H38B H 0.717076 0.473751 0.940395 0.040 Uiso 1 1 calc R U . . .
C39 C 0.7452(4) 0.1859(3) 0.7614(3) 0.0414(14) Uani 1 1 d . . . . .
C40 C 0.7677(4) 0.1289(4) 0.7140(3) 0.0506(17) Uani 1 1 d . . . . .
C41 C 0.7519(5) 0.0642(4) 0.7201(4) 0.069(2) Uani 1 1 d . . . . .
H41 H 0.764349 0.023871 0.687637 0.083 Uiso 1 1 calc R U . . .
C42 C 0.7192(5) 0.0578(4) 0.7713(4) 0.066(2) Uani 1 1 d . . . . .
H42 H 0.709282 0.013287 0.773814 0.080 Uiso 1 1 calc R U . . .
C43 C 0.7004(5) 0.1146(4) 0.8194(4) 0.064(2) Uani 1 1 d . . . . .
H43 H 0.678741 0.110075 0.855555 0.077 Uiso 1 1 calc R U . . .
C44 C 0.7133(4) 0.1787(4) 0.8147(4) 0.0514(17) Uani 1 1 d . . . . .
H44 H 0.700452 0.218234 0.847949 0.062 Uiso 1 1 calc R U . . .
C45 C 0.8045(5) 0.1347(4) 0.6563(4) 0.070(2) Uani 1 1 d . . . . .
H45A H 0.823122 0.093275 0.633947 0.105 Uiso 1 1 calc R U . . .
H45B H 0.851989 0.182840 0.679534 0.105 Uiso 1 1 calc R U . . .
H45C H 0.761967 0.131722 0.618433 0.105 Uiso 1 1 calc R U . . .
C46 C 0.8689(4) 0.3196(4) 0.7813(4) 0.0544(18) Uani 1 1 d . . . . .
C47 C 0.9093(5) 0.3557(4) 0.7515(5) 0.071(2) Uani 1 1 d . . . . .
C48 C 0.9994(5) 0.3998(5) 0.7857(5) 0.080(3) Uani 1 1 d . . . . .
H48 H 1.030355 0.427092 0.767078 0.095 Uiso 1 1 calc R U . . .
C49 C 1.0339(5) 0.3987(5) 0.8437(5) 0.074(3) Uani 1 1 d . . . . .
H49 H 1.092328 0.426651 0.865969 0.089 Uiso 1 1 calc R U . . .
C50 C 0.9952(6) 0.3606(5) 0.8786(5) 0.093(3) Uani 1 1 d . . . . .
H50 H 1.026166 0.364022 0.921296 0.112 Uiso 1 1 calc R U . . .
C51 C 0.9150(4) 0.3214(4) 0.8476(4) 0.079(3) Uani 1 1 d . . . . .
H51 H 0.885936 0.294040 0.867041 0.095 Uiso 1 1 calc R U . . .
C52 C 0.8696(5) 0.3528(4) 0.6874(5) 0.074(2) Uani 1 1 d . . . . .
H52A H 0.824921 0.371515 0.694819 0.089 Uiso 1 1 calc R U . . .
H52B H 0.845931 0.300680 0.646379 0.089 Uiso 1 1 calc R U . . .
H52C H 0.910273 0.384194 0.676278 0.089 Uiso 1 1 calc R U . . .
C53 C 0.8188(3) 0.4745(3) 0.8509(3) 0.0351(13) Uani 1 1 d . . . . .
C54 C 0.8757(4) 0.4863(3) 0.9116(3) 0.0441(15) Uani 1 1 d . . . . .
H54 H 0.858318 0.460442 0.936205 0.053 Uiso 1 1 calc R U . . .
C55 C 0.9587(4) 0.5363(4) 0.9368(4) 0.0508(17) Uani 1 1 d . . . . .
H55 H 0.997942 0.543299 0.977589 0.061 Uiso 1 1 calc R U . . .
C56 C 0.9825(4) 0.5745(4) 0.9026(4) 0.0545(18) Uani 1 1 d . . . . .
H56 H 1.038613 0.608660 0.920081 0.065 Uiso 1 1 calc R U . . .
C57 C 0.9271(4) 0.5647(4) 0.8436(4) 0.0571(18) Uani 1 1 d . . . . .
H57 H 0.945047 0.592256 0.820496 0.069 Uiso 1 1 calc R U . . .
C58 C 0.8444(4) 0.5145(4) 0.8167(4) 0.0479(16) Uani 1 1 d . . . . .
H58 H 0.805940 0.507729 0.775555 0.057 Uiso 1 1 calc R U . . .
C59 C 0.7174(3) 0.5940(3) 0.8960(3) 0.0366(13) Uani 1 1 d . . . . .
C60 C 0.7900(4) 0.6434(3) 0.9590(3) 0.0431(15) Uani 1 1 d . . . . .
C61 C 0.8495(4) 0.6982(4) 0.9557(4) 0.0583(19) Uani 1 1 d . . . . .
H61 H 0.898349 0.731876 0.996988 0.070 Uiso 1 1 calc R U . . .
C62 C 0.8407(5) 0.7057(4) 0.8948(4) 0.067(2) Uani 1 1 d . . . . .
H62 H 0.883719 0.743380 0.894574 0.081 Uiso 1 1 calc R U . . .
C63 C 0.7701(4) 0.6591(4) 0.8343(4) 0.0561(18) Uani 1 1 d . . . . .
H63 H 0.763324 0.665525 0.792960 0.067 Uiso 1 1 calc R U . . .
C64 C 0.7090(4) 0.6027(3) 0.8345(4) 0.0465(15) Uani 1 1 d . . . . .
H64 H 0.660786 0.569551 0.792488 0.056 Uiso 1 1 calc R U . . .
C65 C 0.8045(4) 0.6404(4) 1.0282(3) 0.0534(18) Uani 1 1 d . . . . .
H65A H 0.858667 0.679285 1.063494 0.080 Uiso 1 1 calc R U . . .
H65B H 0.803838 0.590779 1.017156 0.080 Uiso 1 1 calc R U . . .
H65C H 0.760365 0.649244 1.049252 0.080 Uiso 1 1 calc R U . . .
C66 C 0.6051(3) 0.5607(3) 0.9730(3) 0.0312(12) Uani 1 1 d . . . . .
C67 C 0.5756(3) 0.6193(3) 0.9871(3) 0.0350(13) Uani 1 1 d . . . . .
C68 C 0.5563(4) 0.6494(3) 1.0512(3) 0.0400(14) Uani 1 1 d . . . . .
H68 H 0.537275 0.689294 1.062395 0.048 Uiso 1 1 calc R U . . .
C69 C 0.5636(4) 0.6238(3) 1.0994(3) 0.0426(15) Uani 1 1 d . . . . .
H69 H 0.549508 0.646076 1.142694 0.051 Uiso 1 1 calc R U . . .
C70 C 0.5912(3) 0.5664(3) 1.0856(3) 0.0391(14) Uani 1 1 d . . . . .
H70 H 0.595816 0.548423 1.118698 0.047 Uiso 1 1 calc R U . . .
C71 C 0.6122(3) 0.5353(3) 1.0222(3) 0.0365(13) Uani 1 1 d . . . . .
H71 H 0.631743 0.495849 1.012290 0.044 Uiso 1 1 calc R U . . .
C72 C 0.5648(4) 0.6494(3) 0.9357(3) 0.0433(14) Uani 1 1 d . . . . .
H72A H 0.533997 0.682292 0.950914 0.065 Uiso 1 1 calc R U . . .
H72B H 0.533852 0.607306 0.885572 0.065 Uiso 1 1 calc R U . . .
H72C H 0.619727 0.678101 0.937589 0.065 Uiso 1 1 calc R U . . .
C73 C 0.5405(3) 0.2912(3) 0.7372(3) 0.0282(11) Uani 1 1 d . . . . .
C74 C 0.5000(3) 0.2497(3) 0.7543(3) 0.0344(13) Uani 1 1 d . . . . .
C75 C 0.4535(4) 0.2001(3) 0.7754(3) 0.0331(12) Uani 1 1 d . . . . .
C76 C 0.4923(4) 0.1642(3) 0.8029(3) 0.0400(14) Uani 1 1 d . . . . .
H76 H 0.549253 0.172856 0.807589 0.048 Uiso 1 1 calc R U . . .
C77 C 0.4488(4) 0.1162(3) 0.8235(3) 0.0439(15) Uani 1 1 d . . . . .
H77 H 0.476243 0.092713 0.842282 0.053 Uiso 1 1 calc R U . . .
C78 C 0.3648(4) 0.1023(3) 0.8167(3) 0.0439(15) Uani 1 1 d . . . . .
C79 C 0.3257(4) 0.1379(4) 0.7897(4) 0.0477(16) Uani 1 1 d . . . . .
H79 H 0.268696 0.129144 0.785165 0.057 Uiso 1 1 calc R U . . .
C80 C 0.3695(4) 0.1861(3) 0.7695(3) 0.0441(15) Uani 1 1 d . . . . .
H80 H 0.341973 0.210020 0.751313 0.053 Uiso 1 1 calc R U . . .
C81 C 0.3277(4) -0.0193(4) 0.8113(4) 0.0531(17) Uani 1 1 d . . . . .
C82 C 0.3450(5) -0.0546(4) 0.7473(4) 0.0586(19) Uani 1 1 d . . . . .
H82 H 0.351511 -0.031827 0.718297 0.070 Uiso 1 1 calc R U . . .
C83 C 0.3529(5) -0.1229(4) 0.7250(5) 0.073(2) Uani 1 1 d . . . . .
H83 H 0.364129 -0.146519 0.680340 0.088 Uiso 1 1 calc R U . . .
C84 C 0.3448(6) -0.1583(5) 0.7662(5) 0.085(3) Uani 1 1 d . . . . .
H84 H 0.352301 -0.204401 0.751056 0.102 Uiso 1 1 calc R U . . .
C85 C 0.3258(7) -0.1244(5) 0.8287(6) 0.096(3) Uani 1 1 d . . . . .
H85 H 0.317128 -0.148623 0.856234 0.115 Uiso 1 1 calc R U . . .
C86 C 0.3188(6) -0.0544(5) 0.8531(4) 0.076(2) Uani 1 1 d . . . . .
H86 H 0.308024 -0.030661 0.897960 0.092 Uiso 1 1 calc R U . . .
C87 C 0.2630(5) 0.0691(4) 0.8740(4) 0.0591(19) Uani 1 1 d . . . . .
C88 C 0.1854(6) 0.0134(5) 0.8526(6) 0.109(4) Uani 1 1 d . . . . .
H88 H 0.169461 -0.035872 0.812117 0.131 Uiso 1 1 calc R U . . .
C89 C 0.1310(7) 0.0323(7) 0.8930(8) 0.134(5) Uani 1 1 d . . . . .
H89 H 0.077754 -0.004805 0.879326 0.161 Uiso 1 1 calc R U . . .
C90 C 0.1540(8) 0.1033(7) 0.9515(8) 0.131(5) Uani 1 1 d . . . . .
H90 H 0.117400 0.114817 0.978904 0.157 Uiso 1 1 calc R U . . .
C91 C 0.2325(7) 0.1596(6) 0.9712(6) 0.100(3) Uani 1 1 d . . . . .
H91 H 0.248221 0.209403 1.010782 0.120 Uiso 1 1 calc R U . . .
C92 C 0.2858(5) 0.1412(4) 0.9321(4) 0.068(2) Uani 1 1 d . . . . .
H92 H 0.338789 0.178418 0.945310 0.081 Uiso 1 1 calc R U . . .
C93 C 0.6739(3) 0.4251(3) 0.6764(3) 0.0381(13) Uani 1 1 d . . . . .
C94 C 0.7147(4) 0.4674(3) 0.6609(3) 0.0426(14) Uani 1 1 d . . . . .
C95 C 0.7651(4) 0.5259(4) 0.6522(3) 0.0479(16) Uani 1 1 d . . . . .
C96 C 0.7327(5) 0.5739(4) 0.6406(4) 0.0549(18) Uani 1 1 d . . . . .
H96 H 0.675076 0.563773 0.633143 0.066 Uiso 1 1 calc R U . . .
C97 C 0.7810(5) 0.6348(4) 0.6396(4) 0.062(2) Uani 1 1 d . . . . .
H97 H 0.756447 0.665992 0.631495 0.074 Uiso 1 1 calc R U . . .
C98 C 0.8638(5) 0.6515(4) 0.6501(4) 0.065(2) Uani 1 1 d . . . . .
C99 C 0.8979(4) 0.6025(5) 0.6583(5) 0.072(2) Uani 1 1 d . . . . .
H99 H 0.955179 0.612120 0.663905 0.087 Uiso 1 1 calc R U . . .
C100 C 0.8479(4) 0.5395(5) 0.6582(4) 0.067(2) Uani 1 1 d . . . . .
H100 H 0.871146 0.505788 0.662360 0.081 Uiso 1 1 calc R U . . .
C101 C 0.9867(5) 0.7251(5) 0.6361(5) 0.077(3) Uani 1 1 d . . . . .
C102 C 0.9914(5) 0.6652(5) 0.5746(5) 0.072(2) Uani 1 1 d . . . . .
H102 H 0.944861 0.618772 0.544879 0.086 Uiso 1 1 calc R U . . .
C103 C 1.0635(7) 0.6753(8) 0.5588(8) 0.124(5) Uani 1 1 d . . . . .
H103 H 1.064980 0.634539 0.516762 0.149 Uiso 1 1 calc R U . . .
C104 C 1.1318(7) 0.7367(8) 0.5968(8) 0.121(5) Uani 1 1 d . . . . .
H104 H 1.180032 0.741166 0.582056 0.145 Uiso 1 1 calc R U . . .
C105 C 1.1298(6) 0.7958(7) 0.6606(8) 0.122(5) Uani 1 1 d . . . . .
H105 H 1.179096 0.839731 0.691532 0.147 Uiso 1 1 calc R U . . .
C106 C 1.0594(6) 0.7911(6) 0.6785(7) 0.111(4) Uani 1 1 d . . . . .
H106 H 1.058843 0.832775 0.720196 0.133 Uiso 1 1 calc R U . . .
C107 C 0.8990(5) 0.7866(4) 0.6956(5) 0.105(3) Uani 1 1 d D U . . .
C108 C 0.8885(5) 0.8286(4) 0.6640(5) 0.121(3) Uani 1 1 d D U . . .
H108 H 0.893228 0.814339 0.616646 0.145 Uiso 1 1 calc R U . . .
C109 C 0.8711(6) 0.8914(5) 0.7015(6) 0.147(4) Uani 1 1 d D U . . .
H109 H 0.863835 0.920446 0.679841 0.176 Uiso 1 1 calc R U . . .
C110 C 0.8641(6) 0.9121(5) 0.7704(6) 0.160(4) Uani 1 1 d D U . . .
H110 H 0.851993 0.955323 0.796041 0.192 Uiso 1 1 calc R U . . .
C111 C 0.8748(6) 0.8703(5) 0.8019(5) 0.154(4) Uani 1 1 d D U . . .
H111 H 0.870294 0.884517 0.849350 0.185 Uiso 1 1 calc R U . . .
C112 C 0.8922(6) 0.8072(5) 0.7641(5) 0.130(3) Uani 1 1 d D U . . .
H112 H 0.899493 0.778000 0.785640 0.156 Uiso 1 1 calc R U . . .
C113 C 0.2343(6) 0.0757(6) 0.5310(5) 0.113(4) Uani 1 1 d . . . . .
C114 C 0.6732(5) 0.3205(5) 1.0066(4) 0.074(2) 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
Au1 P1 2.3210(14) . ?
Au1 P4 2.3245(15) . ?
Au1 Pt1 3.0063(3) . ?
Au2 P6 2.3202(14) . ?
Au2 P3 2.3244(14) . ?
Au2 Pt1 2.9976(3) . ?
Pt1 C93 1.993(6) . ?
Pt1 C73 2.024(5) . ?
Pt1 P2 2.3227(14) . ?
Pt1 P5 2.3366(14) . ?
S1 O3 1.418(6) . ?
S1 O2 1.440(6) . ?
S1 O1 1.445(5) . ?
S1 C113 1.638(13) . ?
S2 O6 1.421(5) . ?
S2 O4 1.442(5) . ?
S2 O5 1.459(6) . ?
S2 C114 1.816(8) . ?
P1 C10 1.816(6) . ?
P1 C3 1.822(6) . ?
P1 C1 1.829(5) . ?
P2 C17 1.817(6) . ?
P2 C1 1.831(5) . ?
P2 C2 1.834(5) . ?
P3 C23 1.816(6) . ?
P3 C2 1.822(5) . ?
P3 C30 1.823(5) . ?
P4 C46 1.818(6) . ?
P4 C37 1.821(6) . ?
P4 C39 1.830(6) . ?
P5 C37 1.824(6) . ?
P5 C53 1.837(6) . ?
P5 C38 1.839(5) . ?
P6 C59 1.813(6) . ?
P6 C66 1.817(5) . ?
P6 C38 1.831(6) . ?
F1 C113 1.412(11) . ?
F2 C113 1.477(13) . ?
F3 C113 1.324(9) . ?
F4 C114 1.360(10) . ?
F5 C114 1.301(11) . ?
F6 C114 1.316(8) . ?
N1 C87 1.414(8) . ?
N1 C81 1.422(8) . ?
N1 C78 1.428(8) . ?
N2 C101 1.393(11) . ?
N2 C107 1.435(10) . ?
N2 C98 1.446(9) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.395(9) . ?
C3 C8 1.398(8) . ?
C4 C5 1.405(10) . ?
C4 C9 1.527(10) . ?
C5 C6 1.387(11) . ?
C5 H5 0.9500 . ?
C6 C7 1.383(11) . ?
C6 H6 0.9500 . ?
C7 C8 1.371(9) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C15 1.405(8) . ?
C10 C11 1.413(8) . ?
C11 C12 1.389(8) . ?
C11 C16 1.524(8) . ?
C12 C13 1.380(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.381(9) . ?
C13 H13 0.9500 . ?
C14 C15 1.381(8) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C22 1.393(8) . ?
C17 C18 1.404(8) . ?
C18 C19 1.390(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.382(10) . ?
C19 H19 0.9500 . ?
C20 C21 1.399(10) . ?
C20 H20 0.9500 . ?
C21 C22 1.384(8) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.387(9) . ?
C23 C28 1.436(9) . ?
C24 C29 1.438(10) . ?
C24 C25 1.470(10) . ?
C25 C26 1.376(11) . ?
C25 H25A 0.9500 . ?
C26 C27 1.363(12) . ?
C26 H26 0.9500 . ?
C27 C28 1.332(10) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.393(8) . ?
C30 C35 1.402(8) . ?
C31 C32 1.379(8) . ?
C31 C36 1.502(8) . ?
C32 C33 1.375(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.386(9) . ?
C33 H33 0.9500 . ?
C34 C35 1.382(8) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C44 1.403(9) . ?
C39 C40 1.408(9) . ?
C40 C41 1.410(10) . ?
C40 C45 1.523(10) . ?
C41 C42 1.362(11) . ?
C41 H41 0.9500 . ?
C42 C43 1.370(11) . ?
C42 H42 0.9500 . ?
C43 C44 1.383(9) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.343(11) . ?
C46 C51 1.501(11) . ?
C47 C52 1.408(11) . ?
C47 C48 1.469(11) . ?
C48 C49 1.311(12) . ?
C48 H48 0.9500 . ?
C49 C50 1.448(13) . ?
C49 H49 0.9500 . ?
C50 C51 1.308(11) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.385(8) . ?
C53 C58 1.389(9) . ?
C54 C55 1.403(8) . ?
C54 H54 0.9500 . ?
C55 C56 1.352(10) . ?
C55 H55 0.9500 . ?
C56 C57 1.365(10) . ?
C56 H56 0.9500 . ?
C57 C58 1.398(9) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 C64 1.405(8) . ?
C59 C60 1.426(8) . ?
C60 C61 1.386(9) . ?
C60 C65 1.502(9) . ?
C61 C62 1.376(11) . ?
C61 H61 0.9500 . ?
C62 C63 1.378(10) . ?
C62 H62 0.9500 . ?
C63 C64 1.388(8) . ?
C63 H63 0.9500 . ?
C64 H64 0.9500 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 C71 1.391(8) . ?
C66 C67 1.418(8) . ?
C67 C68 1.384(8) . ?
C67 C72 1.517(8) . ?
C68 C69 1.372(8) . ?
C68 H68 0.9500 . ?
C69 C70 1.375(9) . ?
C69 H69 0.9500 . ?
C70 C71 1.388(8) . ?
C70 H70 0.9500 . ?
C71 H71 0.9500 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.212(7) . ?
C74 C75 1.444(8) . ?
C75 C80 1.401(8) . ?
C75 C76 1.403(8) . ?
C76 C77 1.388(8) . ?
C76 H76 0.9500 . ?
C77 C78 1.397(9) . ?
C77 H77 0.9500 . ?
C78 C79 1.393(9) . ?
C79 C80 1.388(8) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 C82 1.376(9) . ?
C81 C86 1.407(10) . ?
C82 C83 1.382(10) . ?
C82 H82 0.9500 . ?
C83 C84 1.398(11) . ?
C83 H83 0.9500 . ?
C84 C85 1.363(12) . ?
C84 H84 0.9500 . ?
C85 C86 1.405(11) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 C92 1.382(10) . ?
C87 C88 1.392(10) . ?
C88 C89 1.415(13) . ?
C88 H88 0.9500 . ?
C89 C90 1.370(15) . ?
C89 H89 0.9500 . ?
C90 C91 1.417(14) . ?
C90 H90 0.9500 . ?
C91 C92 1.380(11) . ?
C91 H91 0.9500 . ?
C92 H92 0.9500 . ?
C93 C94 1.202(8) . ?
C94 C95 1.434(8) . ?
C95 C100 1.382(9) . ?
C95 C96 1.394(9) . ?
C96 C97 1.365(9) . ?
C96 H96 0.9500 . ?
C97 C98 1.360(10) . ?
C97 H97 0.9500 . ?
C98 C99 1.402(11) . ?
C99 C100 1.399(10) . ?
C99 H99 0.9500 . ?
C100 H100 0.9500 . ?
C101 C106 1.407(12) . ?
C101 C102 1.414(12) . ?
C102 C103 1.353(12) . ?
C102 H102 0.9500 . ?
C103 C104 1.315(16) . ?
C103 H103 0.9500 . ?
C104 C105 1.410(16) . ?
C104 H104 0.9500 . ?
C105 C106 1.348(14) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C107 C112 1.374(7) . ?
C107 C108 1.376(7) . ?
C108 C109 1.379(8) . ?
C108 H108 0.9500 . ?
C109 C110 1.383(8) . ?
C109 H109 0.9500 . ?
C110 C111 1.373(8) . ?
C110 H110 0.9500 . ?
C111 C112 1.386(8) . ?
C111 H111 0.9500 . ?
C112 H112 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
P1 Au1 P4 170.99(5) . . ?
P1 Au1 Pt1 88.99(4) . . ?
P4 Au1 Pt1 93.32(4) . . ?
P6 Au2 P3 171.43(5) . . ?
P6 Au2 Pt1 89.37(4) . . ?
P3 Au2 Pt1 93.94(4) . . ?
C93 Pt1 C73 179.7(2) . . ?
C93 Pt1 P2 94.88(17) . . ?
C73 Pt1 P2 84.94(15) . . ?
C93 Pt1 P5 95.41(17) . . ?
C73 Pt1 P5 84.77(15) . . ?
P2 Pt1 P5 169.71(5) . . ?
C93 Pt1 Au2 99.91(17) . . ?
C73 Pt1 Au2 80.32(14) . . ?
P2 Pt1 Au2 87.08(4) . . ?
P5 Pt1 Au2 91.33(4) . . ?
C93 Pt1 Au1 95.46(17) . . ?
C73 Pt1 Au1 84.31(14) . . ?
P2 Pt1 Au1 91.27(4) . . ?
P5 Pt1 Au1 87.57(4) . . ?
Au2 Pt1 Au1 164.625(10) . . ?
O3 S1 O2 115.0(4) . . ?
O3 S1 O1 114.1(4) . . ?
O2 S1 O1 116.4(4) . . ?
O3 S1 C113 99.5(5) . . ?
O2 S1 C113 101.6(4) . . ?
O1 S1 C113 107.5(5) . . ?
O6 S2 O4 116.4(3) . . ?
O6 S2 O5 114.3(4) . . ?
O4 S2 O5 113.4(4) . . ?
O6 S2 C114 104.7(4) . . ?
O4 S2 C114 103.2(3) . . ?
O5 S2 C114 102.6(4) . . ?
C10 P1 C3 107.5(3) . . ?
C10 P1 C1 106.5(3) . . ?
C3 P1 C1 107.9(3) . . ?
C10 P1 Au1 113.45(19) . . ?
C3 P1 Au1 115.8(2) . . ?
C1 P1 Au1 105.21(17) . . ?
C17 P2 C1 103.8(3) . . ?
C17 P2 C2 101.1(3) . . ?
C1 P2 C2 102.5(2) . . ?
C17 P2 Pt1 127.6(2) . . ?
C1 P2 Pt1 108.57(18) . . ?
C2 P2 Pt1 110.46(17) . . ?
C23 P3 C2 107.9(3) . . ?
C23 P3 C30 103.7(3) . . ?
C2 P3 C30 104.2(2) . . ?
C23 P3 Au2 118.9(2) . . ?
C2 P3 Au2 108.37(18) . . ?
C30 P3 Au2 112.81(18) . . ?
C46 P4 C37 104.4(3) . . ?
C46 P4 C39 105.2(3) . . ?
C37 P4 C39 105.1(3) . . ?
C46 P4 Au1 121.0(3) . . ?
C37 P4 Au1 108.21(19) . . ?
C39 P4 Au1 111.61(18) . . ?
C37 P5 C53 103.6(3) . . ?
C37 P5 C38 102.5(3) . . ?
C53 P5 C38 103.0(2) . . ?
C37 P5 Pt1 108.43(18) . . ?
C53 P5 Pt1 127.8(2) . . ?
C38 P5 Pt1 108.70(19) . . ?
C59 P6 C66 106.8(2) . . ?
C59 P6 C38 108.7(3) . . ?
C66 P6 C38 106.7(3) . . ?
C59 P6 Au2 116.0(2) . . ?
C66 P6 Au2 112.34(18) . . ?
C38 P6 Au2 105.88(18) . . ?
C87 N1 C81 121.3(5) . . ?
C87 N1 C78 119.6(5) . . ?
C81 N1 C78 119.0(5) . . ?
C101 N2 C107 120.1(7) . . ?
C101 N2 C98 120.2(8) . . ?
C107 N2 C98 117.8(7) . . ?
P1 C1 P2 113.0(3) . . ?
P1 C1 H1A 109.0 . . ?
P2 C1 H1A 109.0 . . ?
P1 C1 H1B 109.0 . . ?
P2 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
P3 C2 P2 113.6(3) . . ?
P3 C2 H2A 108.8 . . ?
P2 C2 H2A 108.8 . . ?
P3 C2 H2B 108.8 . . ?
P2 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
C4 C3 C8 119.9(6) . . ?
C4 C3 P1 123.8(5) . . ?
C8 C3 P1 116.2(5) . . ?
C3 C4 C5 118.0(7) . . ?
C3 C4 C9 124.5(6) . . ?
C5 C4 C9 117.4(6) . . ?
C6 C5 C4 121.1(7) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
C7 C6 C5 120.2(7) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C8 C7 C6 119.4(7) . . ?
C8 C7 H7 120.3 . . ?
C6 C7 H7 120.3 . . ?
C7 C8 C3 121.3(7) . . ?
C7 C8 H8 119.3 . . ?
C3 C8 H8 119.3 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C10 C11 120.2(5) . . ?
C15 C10 P1 119.8(4) . . ?
C11 C10 P1 119.9(4) . . ?
C12 C11 C10 118.0(6) . . ?
C12 C11 C16 120.0(6) . . ?
C10 C11 C16 122.0(5) . . ?
C13 C12 C11 121.6(6) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C12 C13 C14 120.0(6) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 C15 120.5(6) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C14 C15 C10 119.6(6) . . ?
C14 C15 H15 120.2 . . ?
C10 C15 H15 120.2 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 C18 119.1(5) . . ?
C22 C17 P2 118.0(4) . . ?
C18 C17 P2 122.9(5) . . ?
C19 C18 C17 120.0(6) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C20 C19 C18 120.3(7) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 120.2(6) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C22 C21 C20 119.5(7) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C21 C22 C17 120.9(6) . . ?
C21 C22 H22 119.5 . . ?
C17 C22 H22 119.5 . . ?
C24 C23 C28 120.5(6) . . ?
C24 C23 P3 124.8(5) . . ?
C28 C23 P3 114.7(5) . . ?
C23 C24 C29 126.7(7) . . ?
C23 C24 C25 116.7(7) . . ?
C29 C24 C25 116.5(6) . . ?
C26 C25 C24 118.0(7) . . ?
C26 C25 H25A 121.0 . . ?
C24 C25 H25A 121.0 . . ?
C27 C26 C25 124.3(8) . . ?
C27 C26 H26 117.8 . . ?
C25 C26 H26 117.8 . . ?
C28 C27 C26 118.6(9) . . ?
C28 C27 H27 120.7 . . ?
C26 C27 H27 120.7 . . ?
C27 C28 C23 121.8(8) . . ?
C27 C28 H28 119.1 . . ?
C23 C28 H28 119.1 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C35 120.0(5) . . ?
C31 C30 P3 120.1(4) . . ?
C35 C30 P3 119.9(4) . . ?
C32 C31 C30 118.3(6) . . ?
C32 C31 C36 119.4(6) . . ?
C30 C31 C36 122.3(5) . . ?
C33 C32 C31 121.5(6) . . ?
C33 C32 H32 119.3 . . ?
C31 C32 H32 119.3 . . ?
C32 C33 C34 121.0(6) . . ?
C32 C33 H33 119.5 . . ?
C34 C33 H33 119.5 . . ?
C35 C34 C33 118.2(6) . . ?
C35 C34 H34 120.9 . . ?
C33 C34 H34 120.9 . . ?
C34 C35 C30 120.9(6) . . ?
C34 C35 H35 119.5 . . ?
C30 C35 H35 119.5 . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
P4 C37 P5 114.7(3) . . ?
P4 C37 H37A 108.6 . . ?
P5 C37 H37A 108.6 . . ?
P4 C37 H37B 108.6 . . ?
P5 C37 H37B 108.6 . . ?
H37A C37 H37B 107.6 . . ?
P6 C38 P5 113.0(3) . . ?
P6 C38 H38A 109.0 . . ?
P5 C38 H38A 109.0 . . ?
P6 C38 H38B 109.0 . . ?
P5 C38 H38B 109.0 . . ?
H38A C38 H38B 107.8 . . ?
C44 C39 C40 119.9(6) . . ?
C44 C39 P4 120.8(5) . . ?
C40 C39 P4 119.3(5) . . ?
C39 C40 C41 117.1(7) . . ?
C39 C40 C45 122.0(6) . . ?
C41 C40 C45 120.9(7) . . ?
C42 C41 C40 121.9(7) . . ?
C42 C41 H41 119.0 . . ?
C40 C41 H41 119.0 . . ?
C41 C42 C43 120.9(7) . . ?
C41 C42 H42 119.5 . . ?
C43 C42 H42 119.5 . . ?
C42 C43 C44 119.4(8) . . ?
C42 C43 H43 120.3 . . ?
C44 C43 H43 120.3 . . ?
C43 C44 C39 120.7(7) . . ?
C43 C44 H44 119.6 . . ?
C39 C44 H44 119.6 . . ?
C40 C45 H45A 109.5 . . ?
C40 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C40 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 C51 121.1(7) . . ?
C47 C46 P4 126.4(7) . . ?
C51 C46 P4 112.5(6) . . ?
C46 C47 C52 123.2(8) . . ?
C46 C47 C48 119.6(9) . . ?
C52 C47 C48 117.2(8) . . ?
C49 C48 C47 114.8(10) . . ?
C49 C48 H48 122.6 . . ?
C47 C48 H48 122.6 . . ?
C48 C49 C50 128.9(9) . . ?
C48 C49 H49 115.5 . . ?
C50 C49 H49 115.5 . . ?
C51 C50 C49 115.7(10) . . ?
C51 C50 H50 122.1 . . ?
C49 C50 H50 122.1 . . ?
C50 C51 C46 119.8(10) . . ?
C50 C51 H51 120.1 . . ?
C46 C51 H51 120.1 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C54 C53 C58 119.3(5) . . ?
C54 C53 P5 119.5(5) . . ?
C58 C53 P5 121.3(5) . . ?
C53 C54 C55 120.3(6) . . ?
C53 C54 H54 119.8 . . ?
C55 C54 H54 119.8 . . ?
C56 C55 C54 119.6(6) . . ?
C56 C55 H55 120.2 . . ?
C54 C55 H55 120.2 . . ?
C55 C56 C57 121.1(6) . . ?
C55 C56 H56 119.5 . . ?
C57 C56 H56 119.5 . . ?
C56 C57 C58 120.5(7) . . ?
C56 C57 H57 119.8 . . ?
C58 C57 H57 119.8 . . ?
C53 C58 C57 119.3(6) . . ?
C53 C58 H58 120.4 . . ?
C57 C58 H58 120.4 . . ?
C64 C59 C60 119.6(5) . . ?
C64 C59 P6 116.9(4) . . ?
C60 C59 P6 123.4(5) . . ?
C61 C60 C59 117.2(6) . . ?
C61 C60 C65 118.7(6) . . ?
C59 C60 C65 124.1(5) . . ?
C62 C61 C60 122.5(7) . . ?
C62 C61 H61 118.7 . . ?
C60 C61 H61 118.7 . . ?
C61 C62 C63 120.7(6) . . ?
C61 C62 H62 119.7 . . ?
C63 C62 H62 119.7 . . ?
C62 C63 C64 119.0(7) . . ?
C62 C63 H63 120.5 . . ?
C64 C63 H63 120.5 . . ?
C63 C64 C59 121.0(6) . . ?
C63 C64 H64 119.5 . . ?
C59 C64 H64 119.5 . . ?
C60 C65 H65A 109.5 . . ?
C60 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C60 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C71 C66 C67 119.9(5) . . ?
C71 C66 P6 120.7(4) . . ?
C67 C66 P6 119.4(4) . . ?
C68 C67 C66 117.0(6) . . ?
C68 C67 C72 119.8(5) . . ?
C66 C67 C72 123.2(5) . . ?
C69 C68 C67 122.5(6) . . ?
C69 C68 H68 118.8 . . ?
C67 C68 H68 118.8 . . ?
C68 C69 C70 120.8(5) . . ?
C68 C69 H69 119.6 . . ?
C70 C69 H69 119.6 . . ?
C69 C70 C71 118.5(6) . . ?
C69 C70 H70 120.7 . . ?
C71 C70 H70 120.7 . . ?
C70 C71 C66 121.3(6) . . ?
C70 C71 H71 119.3 . . ?
C66 C71 H71 119.3 . . ?
C67 C72 H72A 109.5 . . ?
C67 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C67 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 Pt1 178.9(5) . . ?
C73 C74 C75 178.6(6) . . ?
C80 C75 C76 117.8(5) . . ?
C80 C75 C74 122.1(5) . . ?
C76 C75 C74 120.1(5) . . ?
C77 C76 C75 121.1(6) . . ?
C77 C76 H76 119.5 . . ?
C75 C76 H76 119.5 . . ?
C76 C77 C78 120.5(6) . . ?
C76 C77 H77 119.8 . . ?
C78 C77 H77 119.8 . . ?
C79 C78 C77 119.1(6) . . ?
C79 C78 N1 120.3(6) . . ?
C77 C78 N1 120.6(6) . . ?
C80 C79 C78 120.3(6) . . ?
C80 C79 H79 119.8 . . ?
C78 C79 H79 119.8 . . ?
C79 C80 C75 121.3(6) . . ?
C79 C80 H80 119.4 . . ?
C75 C80 H80 119.4 . . ?
C82 C81 C86 118.2(7) . . ?
C82 C81 N1 121.6(6) . . ?
C86 C81 N1 120.2(6) . . ?
C81 C82 C83 120.5(7) . . ?
C81 C82 H82 119.7 . . ?
C83 C82 H82 119.7 . . ?
C82 C83 C84 122.0(8) . . ?
C82 C83 H83 119.0 . . ?
C84 C83 H83 119.0 . . ?
C85 C84 C83 117.7(8) . . ?
C85 C84 H84 121.1 . . ?
C83 C84 H84 121.1 . . ?
C84 C85 C86 121.3(8) . . ?
C84 C85 H85 119.4 . . ?
C86 C85 H85 119.4 . . ?
C85 C86 C81 120.2(8) . . ?
C85 C86 H86 119.9 . . ?
C81 C86 H86 119.9 . . ?
C92 C87 C88 121.0(7) . . ?
C92 C87 N1 119.9(7) . . ?
C88 C87 N1 119.1(7) . . ?
C87 C88 C89 118.1(9) . . ?
C87 C88 H88 120.9 . . ?
C89 C88 H88 120.9 . . ?
C90 C89 C88 121.0(10) . . ?
C90 C89 H89 119.5 . . ?
C88 C89 H89 119.5 . . ?
C89 C90 C91 119.9(9) . . ?
C89 C90 H90 120.0 . . ?
C91 C90 H90 120.0 . . ?
C92 C91 C90 119.1(10) . . ?
C92 C91 H91 120.5 . . ?
C90 C91 H91 120.5 . . ?
C91 C92 C87 120.8(8) . . ?
C91 C92 H92 119.6 . . ?
C87 C92 H92 119.6 . . ?
C94 C93 Pt1 177.4(5) . . ?
C93 C94 C95 172.1(7) . . ?
C100 C95 C96 117.3(6) . . ?
C100 C95 C94 121.9(7) . . ?
C96 C95 C94 120.7(6) . . ?
C97 C96 C95 122.3(7) . . ?
C97 C96 H96 118.9 . . ?
C95 C96 H96 118.9 . . ?
C98 C97 C96 120.9(8) . . ?
C98 C97 H97 119.5 . . ?
C96 C97 H97 119.5 . . ?
C97 C98 C99 118.5(7) . . ?
C97 C98 N2 119.0(8) . . ?
C99 C98 N2 122.5(7) . . ?
C100 C99 C98 120.4(7) . . ?
C100 C99 H99 119.8 . . ?
C98 C99 H99 119.8 . . ?
C95 C100 C99 120.4(8) . . ?
C95 C100 H100 119.8 . . ?
C99 C100 H100 119.8 . . ?
N2 C101 C106 121.0(10) . . ?
N2 C101 C102 122.1(8) . . ?
C106 C101 C102 116.9(9) . . ?
C103 C102 C101 118.8(10) . . ?
C103 C102 H102 120.6 . . ?
C101 C102 H102 120.6 . . ?
C104 C103 C102 125.4(14) . . ?
C104 C103 H103 117.3 . . ?
C102 C103 H103 117.3 . . ?
C103 C104 C105 116.8(11) . . ?
C103 C104 H104 121.6 . . ?
C105 C104 H104 121.6 . . ?
C106 C105 C104 121.2(11) . . ?
C106 C105 H105 119.4 . . ?
C104 C105 H105 119.4 . . ?
C105 C106 C101 120.8(12) . . ?
C105 C106 H106 119.6 . . ?
C101 C106 H106 119.6 . . ?
C112 C107 C108 120.2(5) . . ?
C112 C107 N2 120.9(7) . . ?
C108 C107 N2 118.8(7) . . ?
C107 C108 C109 119.7(5) . . ?
C107 C108 H108 120.1 . . ?
C109 C108 H108 120.1 . . ?
C108 C109 C110 120.2(5) . . ?
C108 C109 H109 119.9 . . ?
C110 C109 H109 119.9 . . ?
C111 C110 C109 120.0(5) . . ?
C111 C110 H110 120.0 . . ?
C109 C110 H110 120.0 . . ?
C110 C111 C112 119.7(5) . . ?
C110 C111 H111 120.2 . . ?
C112 C111 H111 120.2 . . ?
C107 C112 C111 120.2(5) . . ?
C107 C112 H112 119.9 . . ?
C111 C112 H112 119.9 . . ?
F3 C113 F1 105.1(8) . . ?
F3 C113 F2 102.6(8) . . ?
F1 C113 F2 95.7(10) . . ?
F3 C113 S1 120.8(10) . . ?
F1 C113 S1 117.0(6) . . ?
F2 C113 S1 112.0(7) . . ?
F5 C114 F6 108.7(8) . . ?
F5 C114 F4 107.1(7) . . ?
F6 C114 F4 107.2(7) . . ?
F5 C114 S2 112.5(6) . . ?
F6 C114 S2 112.0(6) . . ?
F4 C114 S2 109.1(6) . . ?

_refine_diff_density_max         2.004
_refine_diff_density_min         -2.355
_refine_diff_density_rms         0.136



