# Electronic Supplementary Material (ESI) for Materials Horizons.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_Au4Pt2(S-isopropyl)8
_database_code_depnum_ccdc_archive 'CCDC 1956250'
loop_
_audit_author_name
_audit_author_address
'Sakiat Hossain'
;Tokyo university of science
Japan
;
_audit_update_record             
;
2019-09-27 deposited with the CCDC.	2019-12-23 downloaded from the CCDC.
;
_audit_creation_date             2018-08-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.02.23 svn.r3390 for OlexSys, GUI svn.r5320)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        Au4Pt2(S-isopropyl)8
_chemical_formula_moiety         '1.13(Au3.55 C21.32 Pt1.78 S7.11)'
_chemical_formula_sum            'C24 Au4 Pt2 S8'
_chemical_formula_weight         1722.77
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
S S 0.1246 0.1234 '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      tetragonal
_space_group_IT_number           85
_space_group_name_H-M_alt        'P 4/n'
_space_group_name_Hall           '-P 4a'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y+1/2, x, z'
'-x+1/2, -y+1/2, z'
'y, -x+1/2, z'
'-x, -y, -z'
'y-1/2, -x, -z'
'x-1/2, y-1/2, -z'
'-y, x-1/2, -z'

_cell_length_a                   12.704(2)
_cell_length_b                   12.704(2)
_cell_length_c                   12.678(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2046.1(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3865
_cell_measurement_temperature    100
_cell_measurement_theta_max      23.28
_cell_measurement_theta_min      2.27
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    21.517
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.3820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1649 before and 0.0655 after correction. The Ratio of minimum to maximum transmission is 0.5122. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.796
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1488
_exptl_crystal_recrystallization_method 
'Vapor diffusion of MeOH to the THF solution of the cluster'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_unetI/netI     0.0428
_diffrn_reflns_Laue_measured_fraction_full 0.773
_diffrn_reflns_Laue_measured_fraction_max 0.773
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5544
_diffrn_reflns_point_group_measured_fraction_full 0.773
_diffrn_reflns_point_group_measured_fraction_max 0.773
_diffrn_reflns_theta_full        23.180
_diffrn_reflns_theta_max         23.180
_diffrn_reflns_theta_min         1.606
_diffrn_ambient_temperature      100
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.773
_diffrn_measured_fraction_theta_max 0.773
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART CCD 1K area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                961
_reflns_number_total             1134
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         4.456
_refine_diff_density_min         -1.547
_refine_diff_density_rms         0.376
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     176
_refine_ls_number_reflns         1134
_refine_ls_number_restraints     340
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0531
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1011P)²+7.9562P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1483
_refine_ls_wR_factor_ref         0.1515
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C1-C2 \\sim C4-C5 \\sim C1B-C2B \\sim C4B-C5B
 with sigma of 0.01
 C2-C3 \\sim C5-C6 \\sim C2B-C3B \\sim C5B-C6B
 with sigma of 0.01
 C1-C3 \\sim C4-C6 \\sim C1B-C3B \\sim C4B-C6B
 with sigma of 0.01
 C2-S2 \\sim C5-S5 \\sim C2B-S2B \\sim C5B-S5B
 with sigma of 0.01
 S2-C1 \\sim S2-C3 \\sim S5-C4 \\sim S5-C6 \\sim S2B-C1B \\sim S2B-C3B \\sim
S5B-C4B \\sim S5B-C6B
 with sigma of 0.01
 Au1A-Pt01 \\sim Au1A-Pt02 \\sim Au1B-Pt1B \\sim Au1B-Pt2B
 with sigma of 0.005
2. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.002 and sigma
for terminal atoms of 0.004
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.002 and
sigma for terminal atoms of 0.004
3. Others
 Sof(Au1B)=Sof(C1B)=Sof(C2B)=Sof(C3B)=Sof(C4B)=Sof(C5B)=Sof(C6B)=Sof(S2B)=
 Sof(S5B)=1-FVAR(1)
 Sof(Pt1B)=Sof(Pt2B)=0.25*(1-FVAR(2))
 Sof(Pt01)=Sof(Pt02)=0.25*FVAR(2)
 Sof(Au1A)=Sof(C1)=Sof(C2)=Sof(C3)=Sof(C4)=Sof(C5)=Sof(C6)=Sof(S2)=Sof(S5)=
 FVAR(1)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1A Au 0.92133(6) 0.69181(6) 0.39035(6) 0.0183(4) Uani 0.888(2) 1 d D U . A 1
Au1B Au 0.9229(5) 0.6928(5) 0.8638(6) 0.0262(19) Uani 0.112(2) 1 d D U . A 2
C1 C 0.9924(15) 0.7020(16) 0.0276(12) 0.034(3) Uani 0.888(2) 1 d D U . A 1
C2 C 1.0158(13) 0.7133(14) 0.1476(15) 0.0285(16) Uani 0.888(2) 1 d D U . A 1
C3 C 1.1154(10) 0.6539(16) 0.1789(16) 0.032(3) Uani 0.888(2) 1 d D U . A 1
C4 C 0.9674(14) 0.6442(14) 0.7571(12) 0.0255(16) Uani 0.888(2) 1 d D U . A 1
C5 C 0.9903(13) 0.6256(13) 0.6379(14) 0.0239(13) Uani 0.888(2) 1 d D U . A 1
C6 C 1.1077(12) 0.6252(16) 0.6139(14) 0.0243(19) Uani 0.888(2) 1 d D U . A 1
C1B C 0.900(7) 0.638(9) 0.503(6) 0.0218(16) Uani 0.112(2) 1 d D U . A 2
C2B C 0.971(6) 0.633(5) 0.603(5) 0.0239(12) Uani 0.112(2) 1 d D U . A 2
C3B C 1.087(5) 0.650(10) 0.576(8) 0.0241(19) Uani 0.112(2) 1 d D U . A 2
C4B C 0.949(11) 0.749(14) 1.222(8) 0.064(13) Uani 0.112(2) 1 d D U . A 2
C5B C 1.006(6) 0.682(8) 1.137(7) 0.064(13) Uani 0.112(2) 1 d D U . A 2
C6B C 1.092(8) 0.744(14) 1.081(11) 0.064(13) Uani 0.112(2) 1 d D U . A 2
Pt01 Pt 0.750000 0.750000 0.57861(13) 0.0140(5) Uani 0.888(2) 4 d DS TU P A 1
Pt02 Pt 0.750000 0.750000 0.20177(12) 0.0156(5) Uani 0.888(2) 4 d DS TU P A 1
Pt1B Pt 0.750000 0.750000 0.6770(7) 0.0161(12) Uani 0.112(2) 4 d DS TU P A 2
Pt2B Pt 0.750000 0.750000 1.0511(8) 0.023(2) Uani 0.112(2) 4 d DS TU P A 2
S2 S 0.9045(4) 0.6510(4) 0.2164(4) 0.0263(12) Uani 0.888(2) 1 d D U . A 1
S5 S 0.9319(4) 0.7386(4) 0.5682(4) 0.0236(10) Uani 0.888(2) 1 d D U . A 1
S2B S 0.929(3) 0.743(3) 0.687(3) 0.0240(13) Uani 0.112(2) 1 d D U . A 2
S5B S 0.905(5) 0.650(5) 1.037(5) 0.064(13) Uani 0.112(2) 1 d D U . A 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
Au1A Au1A 3.2509(12) 4_565 ?
Au1A Au1A 3.2510(12) 2_655 ?
Au1A S2 2.275(6) . ?
Au1A S5 2.336(6) . ?
Au1B Au1B 3.272(8) 2_655 ?
Au1B Au1B 3.272(8) 4_565 ?
Au1B S2B 2.33(4) . ?
Au1B S5B 2.28(6) . ?
C1 C2 1.56(2) . ?
C2 C3 1.53(2) . ?
C2 S2 1.840(16) . ?
C4 C5 1.56(2) . ?
C5 C6 1.52(2) . ?
C5 S5 1.842(16) . ?
C1B C2B 1.56(2) . ?
C2B C3B 1.52(2) . ?
C2B S2B 1.842(18) . ?
C4B C5B 1.56(2) . ?
C5B C6B 1.52(2) . ?
C5B S5B 1.841(18) . ?
Pt01 S5 2.319(5) 2_655 ?
Pt01 S5 2.319(5) 3_665 ?
Pt01 S5 2.319(5) . ?
Pt01 S5 2.319(5) 4_565 ?
Pt02 S2 2.339(5) . ?
Pt02 S2 2.339(5) 4_565 ?
Pt02 S2 2.339(5) 3_665 ?
Pt02 S2 2.339(5) 2_655 ?
Pt1B S2B 2.28(4) 2_655 ?
Pt1B S2B 2.28(4) 4_565 ?
Pt1B S2B 2.28(4) 3_665 ?
Pt1B S2B 2.28(4) . ?
Pt2B S5B 2.35(6) 4_565 ?
Pt2B S5B 2.35(6) . ?
Pt2B S5B 2.35(6) 2_655 ?
Pt2B S5B 2.35(6) 3_665 ?

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
Au1A Au1A Au1A 90.0 4_565 2_655 ?
S2 Au1A Au1A 79.35(13) . 4_565 ?
S2 Au1A Au1A 99.37(13) . 2_655 ?
S2 Au1A S5 177.39(18) . . ?
S5 Au1A Au1A 78.28(13) . 2_655 ?
S5 Au1A Au1A 99.44(12) . 4_565 ?
Au1B Au1B Au1B 90.000(2) 2_655 4_565 ?
S2B Au1B Au1B 98.9(9) . 4_565 ?
S2B Au1B Au1B 76.7(10) . 2_655 ?
S5B Au1B Au1B 78.7(14) . 4_565 ?
S5B Au1B Au1B 99.7(15) . 2_655 ?
S5B Au1B S2B 175.7(18) . . ?
C1 C2 S2 106.1(10) . . ?
C3 C2 C1 111.5(13) . . ?
C3 C2 S2 107.5(11) . . ?
C4 C5 S5 105.8(10) . . ?
C6 C5 C4 112.2(13) . . ?
C6 C5 S5 107.6(11) . . ?
C1B C2B S2B 105.9(12) . . ?
C3B C2B C1B 111.9(16) . . ?
C3B C2B S2B 107.5(13) . . ?
C4B C5B S5B 106.0(12) . . ?
C6B C5B C4B 111.9(16) . . ?
C6B C5B S5B 107.5(13) . . ?
S5 Pt01 S5 89.815(17) 4_565 . ?
S5 Pt01 S5 173.5(3) 4_565 2_655 ?
S5 Pt01 S5 89.815(17) 4_565 3_665 ?
S5 Pt01 S5 89.815(17) 3_665 2_655 ?
S5 Pt01 S5 173.5(3) 3_665 . ?
S5 Pt01 S5 89.815(17) 2_655 . ?
S2 Pt02 S2 89.64(2) . 2_655 ?
S2 Pt02 S2 170.9(3) 2_655 4_565 ?
S2 Pt02 S2 89.64(2) . 4_565 ?
S2 Pt02 S2 89.64(2) 2_655 3_665 ?
S2 Pt02 S2 170.9(3) . 3_665 ?
S2 Pt02 S2 89.64(2) 4_565 3_665 ?
S2B Pt1B S2B 173(2) 2_655 4_565 ?
S2B Pt1B S2B 89.81(12) 2_655 3_665 ?
S2B Pt1B S2B 89.81(13) 2_655 . ?
S2B Pt1B S2B 89.81(12) 4_565 . ?
S2B Pt1B S2B 89.81(13) 4_565 3_665 ?
S2B Pt1B S2B 173(2) 3_665 . ?
S5B Pt2B S5B 89.7(2) 4_565 3_665 ?
S5B Pt2B S5B 89.7(2) 2_655 3_665 ?
S5B Pt2B S5B 89.7(2) 4_565 . ?
S5B Pt2B S5B 89.7(2) 2_655 . ?
S5B Pt2B S5B 172(3) 3_665 . ?
Au1A S2 Pt02 91.90(19) . . ?
C2 S2 Au1A 106.8(6) . . ?
C2 S2 Pt02 112.1(6) . . ?
C5 S5 Au1A 106.7(6) . . ?
C5 S5 Pt01 115.0(6) . . ?
Pt01 S5 Au1A 90.78(18) . . ?
C2B S2B Au1B 111(3) . . ?
C2B S2B Pt1B 106(3) . . ?
Pt1B S2B Au1B 91.8(14) . . ?
Au1B S5B Pt2B 91(2) . . ?
C5B S5B Au1B 122(4) . . ?
C5B S5B Pt2B 114(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 S2 Au1A -170.0(10) . . . . ?
C1 C2 S2 Pt02 -70.8(11) . . . . ?
C3 C2 S2 Au1A 70.5(12) . . . . ?
C3 C2 S2 Pt02 169.7(10) . . . . ?
C4 C5 S5 Au1A -164.2(9) . . . . ?
C4 C5 S5 Pt01 -65.2(11) . . . . ?
C6 C5 S5 Au1A 75.8(12) . . . . ?
C6 C5 S5 Pt01 174.8(10) . . . . ?
C1B C2B S2B Au1B 139(5) . . . . ?
C1B C2B S2B Pt1B 40(5) . . . . ?
C3B C2B S2B Au1B -102(5) . . . . ?
C3B C2B S2B Pt1B 160(5) . . . . ?
C4B C5B S5B Au1B 123(7) . . . . ?
C4B C5B S5B Pt2B 14(7) . . . . ?
C6B C5B S5B Au1B 3(8) . . . . ?
C6B C5B S5B Pt2B -106(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Au4Pt2(SCH2PhtBu)8
_database_code_depnum_ccdc_archive 'CCDC 1956254'
loop_
_audit_author_name
_audit_author_address
'Sakiat Hossain'
;Tokyo university of science
Japan
;
_audit_update_record             
;
2019-09-27 deposited with the CCDC.	2019-12-23 downloaded from the CCDC.
;
_audit_creation_date             2018-08-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.02.23 svn.r3390 for OlexSys, GUI svn.r5320)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        Au4Pt2(SCH2PhtBu)8
_chemical_formula_moiety         'C88 H120 Au4 Pt2 S8, C7 H8, 0.5(C7)'
_chemical_formula_sum            'C98.50 H128 Au4 Pt2 S8'
_chemical_formula_weight         2746.53
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   44.070(6)
_cell_length_b                   14.7091(19)
_cell_length_c                   31.214(4)
_cell_angle_alpha                90
_cell_angle_beta                 98.553(2)
_cell_angle_gamma                90
_cell_volume                     20009(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9896
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.944
_cell_measurement_theta_min      2.516
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.839
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0602 before and 0.0376 after correction. The Ratio of minimum to maximum transmission is 0.8682. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             10552
_exptl_crystal_recrystallization_method 
'Vapor diffusion of EtOH to the toluene solution of cluster'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_unetI/netI     0.0467
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.915
_diffrn_reflns_limit_h_max       60
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            59805
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.915
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.155
_diffrn_reflns_theta_min         1.319
_diffrn_ambient_temperature      100
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17923
_reflns_number_total             24716
_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 V8.38A (Bruker, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         1.448
_refine_diff_density_min         -0.959
_refine_diff_density_rms         0.161
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1011
_refine_ls_number_reflns         24716
_refine_ls_number_restraints     85
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0317
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0242P)²+81.5085P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0634
_refine_ls_wR_factor_ref         0.0720
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1A-C1B
 1.51 with sigma of 0.02
 C1B-C1C \\sim C1C-C1D \\sim C1D-C1E \\sim C1E-C1F \\sim C1F-C1G \\sim C1G-C1B
 with sigma of 0.02
 C1B-C1F \\sim C1B-C1D \\sim C1G-C1E \\sim C1C-C1G \\sim C1D-C1F \\sim C1C-C1E
 with sigma of 0.04
 C1A-C1G \\sim C1A-C1C
 with sigma of 0.04
3. Restrained planarity
 C1A, C1B, C1C, C1D, C1E, C1F, C1G
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C1A \\sim C1B \\sim C1C \\sim C1D \\sim C1E \\sim C1F \\sim C1G: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(C94) \\sim Ueq, Uanis(C90) \\sim Ueq, Uanis(C92) \\sim Ueq, Uanis(C89)
\\sim Ueq, Uanis(C93) \\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C91) \\sim Ueq:
with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C91) \\sim Ueq, Uanis(C89) \\sim Ueq, Uanis(C92) \\sim Ueq, Uanis(C90)
\\sim Ueq, Uanis(C94) \\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C93) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C89) = Uanis(C93)
Uanis(C90) = Uanis(C94)
Uanis(C95) = Uanis(C94) = Uanis(C95) = Uanis(C92)
5. Rigid body (RIGU) restrains
 C1A, C1B, C1C, C1D, C1E, C1F, C1G
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: C1A(0.5) C1B(0.5) C1C(0.5) C1D(0.5) C1E(0.5) C1F(0.5) C1G(0.5)
7.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C32(H32A,H32B), C38(H38A,H38B), C41(H41A,H41B), C43(H43A,
 H43B), C65(H65A,H65B), C71(H71A,H71B), C72(H72A,H72B)
7.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C7(H7), C8(H8), C11(H11), C13(H13), C17(H17), C18(H18),
 C22(H22), C24(H24), C25(H25), C27(H27), C29(H29), C30(H30), C31(H31), C35(H35),
  C36(H36), C39(H39), C42(H42), C44(H44), C45(H45), C47(H47), C49(H49),
 C50(H50), C52(H52), C53(H53), C55(H55), C61(H61), C64(H64), C67(H67), C68(H68),
  C69(H69), C90(H90), C92(H92), C93(H93), C94(H94), C95(H95)
7.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C21(H21A,H21B,H21C), C48(H48A,H48B,H48C), C51(H51A,H51B,
 H51C), C54(H54A,H54B,H54C), C58(H58A,H58B,H58C), C60(H60A,H60B,H60C), C62(H62A,
 H62B,H62C), C66(H66A,H66B,H66C), C70(H70A,H70B,H70C), C73(H73A,H73B,H73C),
 C74(H74A,H74B,H74C), C75(H75A,H75B,H75C), C77(H77A,H77B,H77C), C78(H78A,H78B,
 H78C), C79(H79A,H79B,H79C), C80(H80A,H80B,H80C), C81(H81A,H81B,H81C), C82(H82A,
 H82B,H82C), C83(H83A,H83B,H83C), C84(H84A,H84B,H84C), C85(H85A,H85B,H85C),
 C86(H86A,H86B,H86C), C88(H88A,H88B,H88C), C91(H91A,H91B,H91C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt01 Pt 0.67282(2) 0.75553(2) 0.72300(2) 0.01694(4) Uani 1 1 d . . . . .
Pt02 Pt 0.61880(2) 0.75402(2) 0.57724(2) 0.01707(5) Uani 1 1 d . . . . .
Au3 Au 0.64024(2) 0.91067(2) 0.65203(2) 0.02101(5) Uani 1 1 d . . . . .
Au1 Au 0.69250(2) 0.77007(2) 0.62637(2) 0.02026(5) Uani 1 1 d . . . . .
Au2 Au 0.65038(2) 0.60053(2) 0.64785(2) 0.02174(5) Uani 1 1 d . . . . .
Au4 Au 0.60027(2) 0.73642(2) 0.67462(2) 0.02418(5) Uani 1 1 d . . . . .
S1 S 0.71813(3) 0.73342(8) 0.69415(4) 0.0196(3) Uani 1 1 d . . . . .
S2 S 0.60401(3) 0.90250(9) 0.59096(4) 0.0213(3) Uani 1 1 d . . . . .
S3 S 0.66532(3) 0.80838(9) 0.55998(4) 0.0213(3) Uani 1 1 d . . . . .
S4 S 0.63730(3) 0.60632(9) 0.57369(4) 0.0215(3) Uani 1 1 d . . . . .
S5 S 0.67703(3) 0.91175(9) 0.71234(4) 0.0197(3) Uani 1 1 d . . . . .
S6 S 0.62424(3) 0.77892(9) 0.74218(4) 0.0234(3) Uani 1 1 d . . . . .
S7 S 0.66334(3) 0.59927(9) 0.72191(4) 0.0218(3) Uani 1 1 d . . . . .
S8 S 0.57677(3) 0.69715(9) 0.60606(4) 0.0225(3) Uani 1 1 d . . . . .
C1 C 0.70437(12) 0.5139(3) 0.78313(16) 0.0218(11) Uani 1 1 d . . . . .
C2 C 0.63425(12) 0.8129(3) 0.39134(16) 0.0205(11) Uani 1 1 d . . . . .
C3 C 0.68669(12) 0.9772(3) 0.79470(16) 0.0215(11) Uani 1 1 d . . . . .
C4 C 0.56923(11) 0.9377(4) 0.44119(16) 0.0217(11) Uani 1 1 d . . . . .
H4 H 0.570167 0.898895 0.417898 0.026 Uiso 1 1 calc R . . . .
C5 C 0.66195(12) 0.7185(3) 0.89327(17) 0.0230(11) Uani 1 1 d . . . . .
H5 H 0.679470 0.692636 0.908806 0.028 Uiso 1 1 calc R . . . .
C6 C 0.73264(12) 0.9791(4) 0.86818(16) 0.0218(11) Uani 1 1 d . . . . .
C7 C 0.51145(12) 0.7574(3) 0.47491(18) 0.0246(12) Uani 1 1 d . . . . .
H7 H 0.515512 0.784301 0.449399 0.030 Uiso 1 1 calc R . . . .
C8 C 0.70923(12) 0.9148(3) 0.86389(16) 0.0216(11) Uani 1 1 d . . . . .
H8 H 0.708784 0.871525 0.885505 0.026 Uiso 1 1 calc R . . . .
C9 C 0.52371(12) 0.7429(3) 0.55249(16) 0.0214(11) Uani 1 1 d . . . . .
C10 C 0.69781(12) 0.5281(3) 0.73513(16) 0.0237(11) Uani 1 1 d . . . . .
H10A H 0.694584 0.469929 0.720565 0.028 Uiso 1 1 calc R . . . .
H10B H 0.715178 0.557656 0.725192 0.028 Uiso 1 1 calc R . . . .
C11 C 0.73254(12) 1.0419(4) 0.83458(17) 0.0245(12) Uani 1 1 d . . . . .
H11 H 0.747817 1.086010 0.836723 0.029 Uiso 1 1 calc R . . . .
C12 C 0.54492(12) 0.9992(4) 0.43899(16) 0.0214(11) Uani 1 1 d . . . . .
C13 C 0.65233(12) 0.6907(4) 0.85088(17) 0.0249(12) Uani 1 1 d . . . . .
H13 H 0.663564 0.646975 0.838486 0.030 Uiso 1 1 calc R . . . .
C14 C 0.59787(12) 0.5183(3) 0.51053(17) 0.0216(11) Uani 1 1 d . . . . .
C15 C 0.66361(11) 0.7629(3) 0.47455(16) 0.0199(11) Uani 1 1 d . . . . .
C16 C 0.76841(11) 0.7958(3) 0.74956(16) 0.0187(10) Uani 1 1 d . . . . .
C17 C 0.72993(12) 0.5520(4) 0.80808(17) 0.0249(12) Uani 1 1 d . . . . .
H17 H 0.742793 0.590129 0.795227 0.030 Uiso 1 1 calc R . . . .
C18 C 0.81856(12) 0.7407(3) 0.78088(17) 0.0229(11) Uani 1 1 d . . . . .
H18 H 0.838078 0.721543 0.777010 0.028 Uiso 1 1 calc R . . . .
C19 C 0.58881(13) 0.7930(4) 0.33131(17) 0.0281(13) Uani 1 1 d . . . . .
H19A H 0.592102 0.728838 0.328899 0.042 Uiso 1 1 calc GR . . . .
H19B H 0.579525 0.816547 0.303768 0.042 Uiso 1 1 calc GR . . . .
H19C H 0.575509 0.803958 0.352481 0.042 Uiso 1 1 calc GR . . . .
C20 C 0.81088(12) 0.7434(3) 0.82249(17) 0.0231(11) Uani 1 1 d . . . . .
C21 C 0.47142(13) 0.5610(4) 0.42522(19) 0.0321(13) Uani 1 1 d . . . . .
H21A H 0.492552 0.546094 0.424525 0.048 Uiso 1 1 calc GR . . . .
H21B H 0.459239 0.541775 0.398686 0.048 Uiso 1 1 calc GR . . . .
H21C H 0.464493 0.530473 0.449187 0.048 Uiso 1 1 calc GR . . . .
C22 C 0.59191(11) 0.9325(3) 0.47670(16) 0.0202(11) Uani 1 1 d . . . . .
H22 H 0.607924 0.891305 0.476740 0.024 Uiso 1 1 calc R . . . .
C23 C 0.61954(13) 0.8404(4) 0.34529(17) 0.0253(12) Uani 1 1 d . . . . .
C24 C 0.71029(12) 1.0404(3) 0.79814(17) 0.0243(12) Uani 1 1 d . . . . .
H24 H 0.711197 1.081964 0.775913 0.029 Uiso 1 1 calc R . . . .
C25 C 0.56529(12) 0.5642(3) 0.44482(17) 0.0233(11) Uani 1 1 d . . . . .
H25 H 0.548840 0.598687 0.431553 0.028 Uiso 1 1 calc R . . . .
C26 C 0.64597(12) 0.7844(3) 0.91306(17) 0.0235(11) Uani 1 1 d . . . . .
C27 C 0.57361(11) 0.5686(3) 0.48991(16) 0.0205(11) Uani 1 1 d . . . . .
H27 H 0.562621 0.605947 0.506113 0.025 Uiso 1 1 calc R . . . .
C28 C 0.62616(12) 0.7272(4) 0.82684(17) 0.0244(12) Uani 1 1 d . . . . .
C29 C 0.62294(12) 0.7436(3) 0.41440(17) 0.0220(11) Uani 1 1 d . . . . .
H29 H 0.605173 0.713458 0.402292 0.026 Uiso 1 1 calc R . . . .
C30 C 0.79777(11) 0.7660(3) 0.74499(17) 0.0204(11) Uani 1 1 d . . . . .
H30 H 0.803519 0.763007 0.717537 0.024 Uiso 1 1 calc R . . . .
C31 C 0.69146(11) 0.4423(3) 0.84787(17) 0.0218(11) Uani 1 1 d . . . . .
H31 H 0.678238 0.405754 0.860937 0.026 Uiso 1 1 calc R . . . .
C32 C 0.66256(12) 0.9768(4) 0.75524(16) 0.0233(12) Uani 1 1 d . . . . .
H32A H 0.657947 1.038647 0.745577 0.028 Uiso 1 1 calc R . . . .
H32B H 0.643875 0.949273 0.762102 0.028 Uiso 1 1 calc R . . . .
C33 C 0.65460(13) 0.8141(4) 0.96034(17) 0.0284(13) Uani 1 1 d . . . . .
C34 C 0.75706(12) 0.9864(4) 0.90790(17) 0.0233(11) Uani 1 1 d . . . . .
C35 C 0.56672(12) 1.0494(3) 0.51154(16) 0.0229(11) Uani 1 1 d . . . . .
H35 H 0.565577 1.086509 0.535380 0.027 Uiso 1 1 calc R . . . .
C36 C 0.68646(11) 0.9141(3) 0.82786(15) 0.0202(11) Uani 1 1 d . . . . .
H36 H 0.670906 0.870864 0.825913 0.024 Uiso 1 1 calc R . . . .
C37 C 0.71781(12) 0.4782(3) 0.87315(17) 0.0238(12) Uani 1 1 d . . . . .
C38 C 0.74668(11) 0.8237(3) 0.70990(16) 0.0214(11) Uani 1 1 d . . . . .
H38A H 0.758133 0.835262 0.686224 0.026 Uiso 1 1 calc R . . . .
H38B H 0.736262 0.879357 0.715805 0.026 Uiso 1 1 calc R . . . .
C39 C 0.78153(13) 0.7730(4) 0.82663(17) 0.0273(12) Uani 1 1 d . . . . .
H39 H 0.775590 0.775262 0.853977 0.033 Uiso 1 1 calc R . . . .
C40 C 0.58119(12) 0.5092(3) 0.41966(17) 0.0229(11) Uani 1 1 d . . . . .
C41 C 0.60690(12) 0.5215(4) 0.55887(17) 0.0268(12) Uani 1 1 d . . . . .
H41A H 0.614143 0.462141 0.569369 0.032 Uiso 1 1 calc R . . . .
H41B H 0.589157 0.537054 0.572419 0.032 Uiso 1 1 calc R . . . .
C42 C 0.50069(12) 0.6788(4) 0.55110(18) 0.0265(12) Uani 1 1 d . . . . .
H42 H 0.496994 0.651080 0.576609 0.032 Uiso 1 1 calc R . . . .
C43 C 0.67956(12) 0.7371(4) 0.51891(16) 0.0261(12) Uani 1 1 d . . . . .
H43A H 0.701529 0.745393 0.520361 0.031 Uiso 1 1 calc R . . . .
H43B H 0.675720 0.673574 0.524485 0.031 Uiso 1 1 calc R . . . .
C44 C 0.63740(12) 0.7180(4) 0.45510(17) 0.0242(12) Uani 1 1 d . . . . .
H44 H 0.629476 0.670313 0.469544 0.029 Uiso 1 1 calc R . . . .
C45 C 0.48296(12) 0.6550(4) 0.51198(18) 0.0289(13) Uani 1 1 d . . . . .
H45 H 0.467301 0.612595 0.511884 0.035 Uiso 1 1 calc R . . . .
C46 C 0.59099(12) 0.9881(3) 0.51228(16) 0.0194(11) Uani 1 1 d . . . . .
C47 C 0.67469(13) 0.8325(4) 0.45191(18) 0.0321(14) Uani 1 1 d . . . . .
H47 H 0.692126 0.863807 0.464393 0.039 Uiso 1 1 calc R . . . .
C48 C 0.84040(13) 0.7993(4) 0.89253(18) 0.0342(14) Uani 1 1 d . . . . .
H48A H 0.848015 0.847918 0.876569 0.051 Uiso 1 1 calc GR . . . .
H48B H 0.855545 0.783525 0.916765 0.051 Uiso 1 1 calc GR . . . .
H48C H 0.821927 0.818473 0.902764 0.051 Uiso 1 1 calc GR . . . .
C49 C 0.52895(11) 0.7826(3) 0.51399(16) 0.0215(11) Uani 1 1 d . . . . .
H49 H 0.544242 0.826218 0.514250 0.026 Uiso 1 1 calc R . . . .
C50 C 0.73643(12) 0.5334(4) 0.85217(17) 0.0265(12) Uani 1 1 d . . . . .
H50 H 0.753864 0.558842 0.868131 0.032 Uiso 1 1 calc R . . . .
C51 C 0.68250(15) 0.7614(4) 0.98365(18) 0.0376(15) Uani 1 1 d . . . . .
H51A H 0.677995 0.697483 0.982906 0.056 Uiso 1 1 calc GR . . . .
H51B H 0.686912 0.781276 1.013207 0.056 Uiso 1 1 calc GR . . . .
H51C H 0.699976 0.772509 0.969339 0.056 Uiso 1 1 calc GR . . . .
C52 C 0.54433(12) 1.0552(4) 0.47540(17) 0.0251(12) Uani 1 1 d . . . . .
H52 H 0.528529 1.097179 0.475218 0.030 Uiso 1 1 calc R . . . .
C53 C 0.62003(12) 0.8219(4) 0.88846(17) 0.0257(12) Uani 1 1 d . . . . .
H53 H 0.608965 0.866305 0.900676 0.031 Uiso 1 1 calc R . . . .
C54 C 0.78908(13) 0.9963(4) 0.8934(2) 0.0364(15) Uani 1 1 d . . . . .
H54A H 0.792172 0.947545 0.874096 0.055 Uiso 1 1 calc GR . . . .
H54B H 0.804681 0.994013 0.918411 0.055 Uiso 1 1 calc GR . . . .
H54C H 0.790214 1.053393 0.878883 0.055 Uiso 1 1 calc GR . . . .
C55 C 0.68486(12) 0.4600(3) 0.80434(17) 0.0243(12) Uani 1 1 d . . . . .
H55 H 0.667143 0.435777 0.788542 0.029 Uiso 1 1 calc R . . . .
C56 C 0.83349(12) 0.7156(3) 0.86270(17) 0.0224(11) Uani 1 1 d . . . . .
C57 C 0.48824(12) 0.6936(3) 0.47290(17) 0.0234(11) Uani 1 1 d . . . . .
C58 C 0.48851(12) 0.9978(4) 0.41466(19) 0.0310(13) Uani 1 1 d . . . . .
H58A H 0.487172 0.938568 0.427125 0.046 Uiso 1 1 calc GR . . . .
H58B H 0.472664 1.004449 0.390193 0.046 Uiso 1 1 calc GR . . . .
H58C H 0.485984 1.043357 0.435889 0.046 Uiso 1 1 calc GR . . . .
C59 C 0.57192(12) 0.5000(4) 0.37025(18) 0.0259(12) Uani 1 1 d . . . . .
C60 C 0.52283(13) 0.9388(4) 0.36463(18) 0.0370(15) Uani 1 1 d . . . . .
H60A H 0.542141 0.946267 0.354311 0.055 Uiso 1 1 calc GR . . . .
H60B H 0.506406 0.947087 0.341057 0.055 Uiso 1 1 calc GR . . . .
H60C H 0.521682 0.878792 0.376386 0.055 Uiso 1 1 calc GR . . . .
C61 C 0.61035(12) 0.7944(4) 0.84610(17) 0.0256(12) Uani 1 1 d . . . . .
H61 H 0.593075 0.821113 0.830319 0.031 Uiso 1 1 calc R . . . .
C62 C 0.75791(13) 0.9030(4) 0.93823(18) 0.0345(14) Uani 1 1 d . . . . .
H62A H 0.739255 0.900506 0.950630 0.052 Uiso 1 1 calc GR . . . .
H62B H 0.775077 0.908264 0.960944 0.052 Uiso 1 1 calc GR . . . .
H62C H 0.759919 0.848563 0.921941 0.052 Uiso 1 1 calc GR . . . .
C63 C 0.72517(13) 0.4527(4) 0.92100(18) 0.0315(13) Uani 1 1 d . . . . .
C64 C 0.61413(13) 0.4642(4) 0.48492(19) 0.0320(13) Uani 1 1 d . . . . .
H64 H 0.630836 0.430547 0.498026 0.038 Uiso 1 1 calc R . . . .
C65 C 0.54220(11) 0.7691(4) 0.59476(16) 0.0234(11) Uani 1 1 d . . . . .
H65A H 0.529861 0.762032 0.617816 0.028 Uiso 1 1 calc R . . . .
H65B H 0.548209 0.832393 0.593801 0.028 Uiso 1 1 calc R . . . .
C66 C 0.60013(13) 0.5162(4) 0.34727(19) 0.0349(14) Uani 1 1 d . . . . .
H66A H 0.608645 0.575052 0.355087 0.052 Uiso 1 1 calc GR . . . .
H66B H 0.594008 0.513501 0.316468 0.052 Uiso 1 1 calc GR . . . .
H66C H 0.615266 0.470300 0.355961 0.052 Uiso 1 1 calc GR . . . .
C67 C 0.66039(13) 0.8574(4) 0.41061(18) 0.0310(13) Uani 1 1 d . . . . .
H67 H 0.668534 0.904393 0.395936 0.037 Uiso 1 1 calc R . . . .
C68 C 0.60585(13) 0.4598(4) 0.44068(19) 0.0312(13) Uani 1 1 d . . . . .
H68 H 0.617033 0.422997 0.424518 0.037 Uiso 1 1 calc R . . . .
C69 C 0.76068(12) 0.7995(4) 0.79044(17) 0.0247(12) Uani 1 1 d . . . . .
H69 H 0.741288 0.819849 0.794241 0.030 Uiso 1 1 calc R . . . .
C70 C 0.66275(14) 0.9167(4) 0.96151(19) 0.0329(14) Uani 1 1 d . . . . .
H70A H 0.678256 0.927713 0.943551 0.049 Uiso 1 1 calc GR . . . .
H70B H 0.670295 0.934424 0.990755 0.049 Uiso 1 1 calc GR . . . .
H70C H 0.644745 0.951427 0.950956 0.049 Uiso 1 1 calc GR . . . .
C71 C 0.61525(12) 0.9838(4) 0.55151(16) 0.0232(11) Uani 1 1 d . . . . .
H71A H 0.618023 1.043519 0.564639 0.028 Uiso 1 1 calc R . . . .
H71B H 0.634595 0.965110 0.542969 0.028 Uiso 1 1 calc R . . . .
C72 C 0.61439(12) 0.6953(4) 0.78188(16) 0.0256(12) Uani 1 1 d . . . . .
H72A H 0.592301 0.687797 0.778576 0.031 Uiso 1 1 calc R . . . .
H72B H 0.623443 0.636905 0.776799 0.031 Uiso 1 1 calc R . . . .
C73 C 0.86380(12) 0.6808(4) 0.85128(19) 0.0328(14) Uani 1 1 d . . . . .
H73A H 0.860149 0.627636 0.833396 0.049 Uiso 1 1 calc GR . . . .
H73B H 0.877278 0.665642 0.877362 0.049 Uiso 1 1 calc GR . . . .
H73C H 0.873088 0.727080 0.835863 0.049 Uiso 1 1 calc GR . . . .
C74 C 0.56050(14) 0.4012(4) 0.36068(19) 0.0381(15) Uani 1 1 d . . . . .
H74A H 0.576676 0.359295 0.370879 0.057 Uiso 1 1 calc GR . . . .
H74B H 0.554590 0.393547 0.330033 0.057 Uiso 1 1 calc GR . . . .
H74C H 0.543164 0.389598 0.375221 0.057 Uiso 1 1 calc GR . . . .
C75 C 0.75148(15) 1.0733(5) 0.9332(2) 0.0486(18) Uani 1 1 d . . . . .
H75A H 0.750187 1.124665 0.914067 0.073 Uiso 1 1 calc GR . . . .
H75B H 0.768147 1.081863 0.956397 0.073 Uiso 1 1 calc GR . . . .
H75C H 0.732625 1.067370 0.944909 0.073 Uiso 1 1 calc GR . . . .
C76 C 0.52005(12) 1.0093(4) 0.39989(17) 0.0272(13) Uani 1 1 d . . . . .
C77 C 0.64122(14) 0.8128(4) 0.31315(18) 0.0349(14) Uani 1 1 d . . . . .
H77A H 0.660846 0.841172 0.321368 0.052 Uiso 1 1 calc GR . . . .
H77B H 0.632679 0.832105 0.284509 0.052 Uiso 1 1 calc GR . . . .
H77C H 0.643675 0.747950 0.313540 0.052 Uiso 1 1 calc GR . . . .
C78 C 0.73107(15) 0.3502(4) 0.9247(2) 0.0425(16) Uani 1 1 d . . . . .
H78A H 0.712549 0.317982 0.913884 0.064 Uiso 1 1 calc GR . . . .
H78B H 0.737496 0.334352 0.954474 0.064 Uiso 1 1 calc GR . . . .
H78C H 0.746850 0.333893 0.907944 0.064 Uiso 1 1 calc GR . . . .
C79 C 0.69778(14) 0.4773(4) 0.94380(18) 0.0360(15) Uani 1 1 d . . . . .
H79A H 0.694279 0.541690 0.941805 0.054 Uiso 1 1 calc GR . . . .
H79B H 0.702086 0.459870 0.973726 0.054 Uiso 1 1 calc GR . . . .
H79C H 0.679836 0.445809 0.930150 0.054 Uiso 1 1 calc GR . . . .
C80 C 0.62763(14) 0.7986(4) 0.98485(18) 0.0355(14) Uani 1 1 d . . . . .
H80A H 0.610543 0.835083 0.972210 0.053 Uiso 1 1 calc GR . . . .
H80B H 0.633424 0.815499 1.014654 0.053 Uiso 1 1 calc GR . . . .
H80C H 0.621927 0.735614 0.983126 0.053 Uiso 1 1 calc GR . . . .
C81 C 0.61420(13) 0.9441(4) 0.34236(18) 0.0300(13) Uani 1 1 d . . . . .
H81A H 0.601594 0.962318 0.363425 0.045 Uiso 1 1 calc GR . . . .
H81B H 0.604122 0.959523 0.313874 0.045 Uiso 1 1 calc GR . . . .
H81C H 0.633579 0.975007 0.347948 0.045 Uiso 1 1 calc GR . . . .
C82 C 0.52248(13) 1.1050(4) 0.38046(19) 0.0361(15) Uani 1 1 d . . . . .
H82A H 0.520335 1.150017 0.402080 0.054 Uiso 1 1 calc GR . . . .
H82B H 0.506510 1.112834 0.356249 0.054 Uiso 1 1 calc GR . . . .
H82C H 0.542104 1.111719 0.370973 0.054 Uiso 1 1 calc GR . . . .
C83 C 0.75397(16) 0.5021(6) 0.9435(2) 0.058(2) Uani 1 1 d . . . . .
H83A H 0.771409 0.484038 0.930369 0.088 Uiso 1 1 calc GR . . . .
H83B H 0.757394 0.486543 0.973667 0.088 Uiso 1 1 calc GR . . . .
H83C H 0.751086 0.566596 0.940378 0.088 Uiso 1 1 calc GR . . . .
C84 C 0.54656(13) 0.5652(4) 0.35261(18) 0.0338(14) Uani 1 1 d . . . . .
H84A H 0.528450 0.551641 0.365111 0.051 Uiso 1 1 calc GR . . . .
H84B H 0.542162 0.559082 0.321691 0.051 Uiso 1 1 calc GR . . . .
H84C H 0.552973 0.626419 0.359845 0.051 Uiso 1 1 calc GR . . . .
C85 C 0.81921(13) 0.6404(4) 0.88704(19) 0.0342(14) Uani 1 1 d . . . . .
H85A H 0.800776 0.662639 0.896345 0.051 Uiso 1 1 calc GR . . . .
H85B H 0.833485 0.622239 0.911841 0.051 Uiso 1 1 calc GR . . . .
H85C H 0.814411 0.589152 0.868211 0.051 Uiso 1 1 calc GR . . . .
C86 C 0.43481(13) 0.6875(4) 0.4331(2) 0.0372(15) Uani 1 1 d . . . . .
H86A H 0.422235 0.671166 0.406458 0.056 Uiso 1 1 calc GR . . . .
H86B H 0.433004 0.751572 0.438056 0.056 Uiso 1 1 calc GR . . . .
H86C H 0.428191 0.654453 0.456608 0.056 Uiso 1 1 calc GR . . . .
C87 C 0.46818(12) 0.6642(4) 0.43046(18) 0.0268(12) Uani 1 1 d . . . . .
C88 C 0.47774(15) 0.7114(4) 0.39070(18) 0.0384(15) Uani 1 1 d . . . . .
H88A H 0.498746 0.696972 0.388806 0.058 Uiso 1 1 calc GR . . . .
H88B H 0.475574 0.775976 0.393413 0.058 Uiso 1 1 calc GR . . . .
H88C H 0.464883 0.690689 0.365007 0.058 Uiso 1 1 calc GR . . . .
C89 C 0.5516(2) 0.5015(7) 0.7024(3) 0.0737(18) Uani 1 1 d . U . . .
C90 C 0.6001(2) 0.4181(6) 0.7075(3) 0.0795(14) Uani 1 1 d . U . . .
H90 H 0.620288 0.416167 0.702177 0.095 Uiso 1 1 calc R . . . .
C91 C 0.53169(19) 0.5808(6) 0.6911(3) 0.086(3) Uani 1 1 d . U . . .
H91A H 0.543145 0.635494 0.698562 0.129 Uiso 1 1 calc GR . . . .
H91B H 0.514595 0.578248 0.706915 0.129 Uiso 1 1 calc GR . . . .
H91C H 0.524325 0.580305 0.660617 0.129 Uiso 1 1 calc GR . . . .
C92 C 0.5819(2) 0.4935(6) 0.6944(3) 0.0795(14) Uani 1 1 d . U . . .
H92 H 0.590288 0.540283 0.679907 0.095 Uiso 1 1 calc R . . . .
C93 C 0.5399(2) 0.4280(6) 0.7232(3) 0.0737(18) Uani 1 1 d . U . . .
H93 H 0.519919 0.429483 0.729574 0.088 Uiso 1 1 calc R . . . .
C94 C 0.5887(2) 0.3485(7) 0.7275(3) 0.0795(14) Uani 1 1 d . U . . .
H94 H 0.600946 0.298587 0.736539 0.095 Uiso 1 1 calc R . . . .
C95 C 0.5587(2) 0.3517(7) 0.7344(3) 0.0795(14) Uani 1 1 d . U . . .
H95 H 0.550505 0.301796 0.747013 0.095 Uiso 1 1 calc R . . . .
C1A C 0.5401(4) 0.8427(11) 0.7424(5) 0.085(6) Uiso 0.5 1 d D U P . .
C1B C 0.5486(3) 0.9363(9) 0.7289(4) 0.064(4) Uiso 0.5 1 d D U P . .
C1C C 0.5371(4) 1.0047(9) 0.7497(5) 0.074(5) Uiso 0.5 1 d D U P . .
C1D C 0.5422(3) 1.0870(9) 0.7380(5) 0.060(4) Uiso 0.5 1 d D U P . .
C1E C 0.5585(4) 1.1125(10) 0.7072(5) 0.076(5) Uiso 0.5 1 d D U P . .
C1F C 0.5724(3) 1.0463(8) 0.6879(4) 0.042(3) Uiso 0.5 1 d D U P . .
C1G C 0.5659(3) 0.9613(8) 0.6981(4) 0.049(3) Uiso 0.5 1 d D U P . .


_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
Pt01 Au1 3.2672(5) . ?
Pt01 S1 2.3324(13) . ?
Pt01 S5 2.3332(13) . ?
Pt01 S6 2.3325(13) . ?
Pt01 S7 2.3354(13) . ?
Pt02 Au4 3.2726(5) . ?
Pt02 S2 2.3369(13) . ?
Pt02 S3 2.3373(13) . ?
Pt02 S4 2.3291(13) . ?
Pt02 S8 2.3312(13) . ?
Au3 Au1 3.2822(4) . ?
Au3 Au4 3.2462(4) . ?
Au3 S2 2.3005(13) . ?
Au3 S5 2.2945(13) . ?
Au1 Au2 3.2381(4) . ?
Au1 S1 2.3091(13) . ?
Au1 S3 2.3040(13) . ?
Au2 Au4 3.1810(4) . ?
Au2 S4 2.3026(13) . ?
Au2 S7 2.2972(13) . ?
Au4 S6 2.3004(13) . ?
Au4 S8 2.3078(13) . ?
S1 C38 1.845(5) . ?
S2 C71 1.836(5) . ?
S3 C43 1.837(5) . ?
S4 C41 1.839(5) . ?
S5 C32 1.836(5) . ?
S6 C72 1.843(5) . ?
S7 C10 1.840(5) . ?
S8 C65 1.845(5) . ?
C1 C10 1.498(7) . ?
C1 C17 1.389(7) . ?
C1 C55 1.406(7) . ?
C2 C23 1.541(7) . ?
C2 C29 1.383(7) . ?
C2 C67 1.382(7) . ?
C3 C24 1.387(7) . ?
C3 C32 1.503(7) . ?
C3 C36 1.392(7) . ?
C4 H4 0.9300 . ?
C4 C12 1.396(7) . ?
C4 C22 1.380(7) . ?
C5 H5 0.9300 . ?
C5 C13 1.390(7) . ?
C5 C26 1.395(7) . ?
C6 C8 1.391(7) . ?
C6 C11 1.398(7) . ?
C6 C34 1.520(7) . ?
C7 H7 0.9300 . ?
C7 C49 1.393(7) . ?
C7 C57 1.382(7) . ?
C8 H8 0.9300 . ?
C8 C36 1.391(7) . ?
C9 C42 1.381(7) . ?
C9 C49 1.386(7) . ?
C9 C65 1.494(7) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11 0.9300 . ?
C11 C24 1.387(7) . ?
C12 C52 1.407(7) . ?
C12 C76 1.521(7) . ?
C13 H13 0.9300 . ?
C13 C28 1.388(7) . ?
C14 C27 1.379(7) . ?
C14 C41 1.503(7) . ?
C14 C64 1.398(7) . ?
C15 C43 1.505(7) . ?
C15 C44 1.389(7) . ?
C15 C47 1.374(7) . ?
C16 C30 1.393(7) . ?
C16 C38 1.505(7) . ?
C16 C69 1.370(7) . ?
C17 H17 0.9300 . ?
C17 C50 1.391(7) . ?
C18 H18 0.9300 . ?
C18 C20 1.390(7) . ?
C18 C30 1.388(7) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C19 C23 1.527(7) . ?
C20 C39 1.389(7) . ?
C20 C56 1.537(7) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C21 C87 1.536(7) . ?
C22 H22 0.9300 . ?
C22 C46 1.384(7) . ?
C23 C77 1.539(7) . ?
C23 C81 1.544(7) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C25 C27 1.402(7) . ?
C25 C40 1.388(7) . ?
C26 C33 1.532(7) . ?
C26 C53 1.393(7) . ?
C27 H27 0.9300 . ?
C28 C61 1.395(7) . ?
C28 C72 1.498(7) . ?
C29 H29 0.9300 . ?
C29 C44 1.386(7) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C31 C37 1.406(7) . ?
C31 C55 1.372(7) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C51 1.542(8) . ?
C33 C70 1.550(7) . ?
C33 C80 1.523(8) . ?
C34 C54 1.551(7) . ?
C34 C62 1.546(7) . ?
C34 C75 1.541(7) . ?
C35 H35 0.9300 . ?
C35 C46 1.397(7) . ?
C35 C52 1.387(7) . ?
C36 H36 0.9300 . ?
C37 C50 1.386(7) . ?
C37 C63 1.527(7) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 H39 0.9300 . ?
C39 C69 1.401(7) . ?
C40 C59 1.542(7) . ?
C40 C68 1.389(7) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42 0.9300 . ?
C42 C45 1.393(7) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 H44 0.9300 . ?
C45 H45 0.9300 . ?
C45 C57 1.396(7) . ?
C46 C71 1.502(7) . ?
C47 H47 0.9300 . ?
C47 C67 1.397(8) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C48 C56 1.547(7) . ?
C49 H49 0.9300 . ?
C50 H50 0.9300 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52 0.9300 . ?
C53 H53 0.9300 . ?
C53 C61 1.388(7) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55 0.9300 . ?
C56 C73 1.522(7) . ?
C56 C85 1.529(7) . ?
C57 C87 1.541(7) . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C58 C76 1.538(7) . ?
C59 C66 1.543(7) . ?
C59 C74 1.552(7) . ?
C59 C84 1.514(7) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C60 C76 1.530(8) . ?
C61 H61 0.9300 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 C78 1.531(8) . ?
C63 C79 1.533(8) . ?
C63 C83 1.539(8) . ?
C64 H64 0.9300 . ?
C64 C68 1.376(8) . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67 0.9300 . ?
C68 H68 0.9300 . ?
C69 H69 0.9300 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C72 H72A 0.9700 . ?
C72 H72B 0.9700 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C76 C82 1.543(8) . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
C83 H83A 0.9600 . ?
C83 H83B 0.9600 . ?
C83 H83C 0.9600 . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?
C86 H86A 0.9600 . ?
C86 H86B 0.9600 . ?
C86 H86C 0.9600 . ?
C86 C87 1.524(8) . ?
C87 C88 1.535(8) . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?
C89 C91 1.470(11) . ?
C89 C92 1.400(11) . ?
C89 C93 1.401(11) . ?
C90 H90 0.9300 . ?
C90 C92 1.392(12) . ?
C90 C94 1.334(11) . ?
C91 H91A 0.9600 . ?
C91 H91B 0.9600 . ?
C91 H91C 0.9600 . ?
C92 H92 0.9300 . ?
C93 H93 0.9300 . ?
C93 C95 1.408(12) . ?
C94 H94 0.9300 . ?
C94 C95 1.374(11) . ?
C95 H95 0.9300 . ?
C1A C1B 1.503(15) . ?
C1B C1C 1.339(12) . ?
C1B C1G 1.363(12) . ?
C1C C1D 1.295(12) . ?
C1D C1E 1.336(12) . ?
C1E C1F 1.339(12) . ?
C1F C1G 1.331(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
S1 Pt01 Au1 44.97(3) . . ?
S1 Pt01 S5 89.51(4) . . ?
S1 Pt01 S6 172.26(4) . . ?
S1 Pt01 S7 91.07(4) . . ?
S5 Pt01 Au1 76.48(3) . . ?
S5 Pt01 S7 170.08(4) . . ?
S6 Pt01 Au1 127.39(3) . . ?
S6 Pt01 S5 89.25(5) . . ?
S6 Pt01 S7 88.85(5) . . ?
S7 Pt01 Au1 97.03(3) . . ?
S2 Pt02 Au4 77.81(3) . . ?
S3 Pt02 Au4 126.14(3) . . ?
S3 Pt02 S2 90.04(5) . . ?
S4 Pt02 Au4 96.20(3) . . ?
S4 Pt02 S2 171.77(4) . . ?
S4 Pt02 S3 89.01(5) . . ?
S4 Pt02 S8 89.28(5) . . ?
S8 Pt02 Au4 44.84(3) . . ?
S8 Pt02 S2 90.32(5) . . ?
S8 Pt02 S3 170.50(5) . . ?
Au4 Au3 Au1 88.778(12) . . ?
S2 Au3 Au1 100.99(3) . . ?
S2 Au3 Au4 78.85(3) . . ?
S5 Au3 Au1 76.62(3) . . ?
S5 Au3 Au4 99.63(3) . . ?
S5 Au3 S2 177.25(5) . . ?
Pt01 Au1 Au3 61.549(7) . . ?
Au2 Au1 Pt01 61.266(7) . . ?
Au2 Au1 Au3 89.424(12) . . ?
S1 Au1 Pt01 45.55(3) . . ?
S1 Au1 Au3 100.89(3) . . ?
S1 Au1 Au2 81.25(3) . . ?
S3 Au1 Pt01 132.26(3) . . ?
S3 Au1 Au3 77.03(3) . . ?
S3 Au1 Au2 97.89(3) . . ?
S3 Au1 S1 177.78(5) . . ?
Au4 Au2 Au1 90.703(12) . . ?
S4 Au2 Au1 80.14(3) . . ?
S4 Au2 Au4 99.27(3) . . ?
S7 Au2 Au1 98.64(3) . . ?
S7 Au2 Au4 79.59(3) . . ?
S7 Au2 S4 178.34(5) . . ?
Au3 Au4 Pt02 61.148(6) . . ?
Au2 Au4 Pt02 61.768(7) . . ?
Au2 Au4 Au3 91.075(12) . . ?
S6 Au4 Pt02 133.31(3) . . ?
S6 Au4 Au3 78.14(3) . . ?
S6 Au4 Au2 99.75(3) . . ?
S6 Au4 S8 178.47(5) . . ?
S8 Au4 Pt02 45.42(3) . . ?
S8 Au4 Au3 100.33(3) . . ?
S8 Au4 Au2 80.36(3) . . ?
Au1 S1 Pt01 89.48(4) . . ?
C38 S1 Pt01 112.71(17) . . ?
C38 S1 Au1 107.30(17) . . ?
Au3 S2 Pt02 91.29(4) . . ?
C71 S2 Pt02 112.02(18) . . ?
C71 S2 Au3 107.38(17) . . ?
Au1 S3 Pt02 93.76(5) . . ?
C43 S3 Pt02 111.59(18) . . ?
C43 S3 Au1 107.59(17) . . ?
Au2 S4 Pt02 91.35(5) . . ?
C41 S4 Pt02 113.43(18) . . ?
C41 S4 Au2 106.97(18) . . ?
Au3 S5 Pt01 92.79(5) . . ?
C32 S5 Pt01 111.46(18) . . ?
C32 S5 Au3 108.81(16) . . ?
Au4 S6 Pt01 92.21(5) . . ?
C72 S6 Pt01 113.01(19) . . ?
C72 S6 Au4 108.25(18) . . ?
Au2 S7 Pt01 91.37(5) . . ?
C10 S7 Pt01 114.61(18) . . ?
C10 S7 Au2 107.67(17) . . ?
Au4 S8 Pt02 89.73(5) . . ?
C65 S8 Pt02 113.65(18) . . ?
C65 S8 Au4 106.11(17) . . ?
C17 C1 C10 121.6(5) . . ?
C17 C1 C55 117.7(5) . . ?
C55 C1 C10 120.6(5) . . ?
C29 C2 C23 123.0(5) . . ?
C67 C2 C23 119.3(5) . . ?
C67 C2 C29 117.7(5) . . ?
C24 C3 C32 119.8(5) . . ?
C24 C3 C36 118.5(5) . . ?
C36 C3 C32 121.6(5) . . ?
C12 C4 H4 118.9 . . ?
C22 C4 H4 118.9 . . ?
C22 C4 C12 122.3(5) . . ?
C13 C5 H5 119.2 . . ?
C13 C5 C26 121.6(5) . . ?
C26 C5 H5 119.2 . . ?
C8 C6 C11 117.2(5) . . ?
C8 C6 C34 123.5(5) . . ?
C11 C6 C34 119.2(5) . . ?
C49 C7 H7 119.0 . . ?
C57 C7 H7 119.0 . . ?
C57 C7 C49 122.0(5) . . ?
C6 C8 H8 119.4 . . ?
C6 C8 C36 121.2(5) . . ?
C36 C8 H8 119.4 . . ?
C42 C9 C49 118.5(5) . . ?
C42 C9 C65 120.3(5) . . ?
C49 C9 C65 121.2(5) . . ?
S7 C10 H10A 109.8 . . ?
S7 C10 H10B 109.8 . . ?
C1 C10 S7 109.5(4) . . ?
C1 C10 H10A 109.8 . . ?
C1 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
C6 C11 H11 119.1 . . ?
C24 C11 C6 121.8(5) . . ?
C24 C11 H11 119.1 . . ?
C4 C12 C52 116.5(5) . . ?
C4 C12 C76 123.9(5) . . ?
C52 C12 C76 119.6(5) . . ?
C5 C13 H13 119.6 . . ?
C28 C13 C5 120.8(5) . . ?
C28 C13 H13 119.6 . . ?
C27 C14 C41 121.5(5) . . ?
C27 C14 C64 117.8(5) . . ?
C64 C14 C41 120.7(5) . . ?
C44 C15 C43 121.8(5) . . ?
C47 C15 C43 120.5(5) . . ?
C47 C15 C44 117.7(5) . . ?
C30 C16 C38 119.2(5) . . ?
C69 C16 C30 118.1(5) . . ?
C69 C16 C38 122.7(5) . . ?
C1 C17 H17 119.8 . . ?
C1 C17 C50 120.4(5) . . ?
C50 C17 H17 119.8 . . ?
C20 C18 H18 119.2 . . ?
C30 C18 H18 119.2 . . ?
C30 C18 C20 121.5(5) . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C23 C19 H19A 109.5 . . ?
C23 C19 H19B 109.5 . . ?
C23 C19 H19C 109.5 . . ?
C18 C20 C56 122.5(5) . . ?
C39 C20 C18 117.1(5) . . ?
C39 C20 C56 120.5(5) . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C87 C21 H21A 109.5 . . ?
C87 C21 H21B 109.5 . . ?
C87 C21 H21C 109.5 . . ?
C4 C22 H22 119.7 . . ?
C4 C22 C46 120.5(5) . . ?
C46 C22 H22 119.7 . . ?
C2 C23 C81 110.7(4) . . ?
C19 C23 C2 112.3(4) . . ?
C19 C23 C77 107.7(5) . . ?
C19 C23 C81 108.2(5) . . ?
C77 C23 C2 108.8(4) . . ?
C77 C23 C81 109.0(4) . . ?
C3 C24 C11 120.3(5) . . ?
C3 C24 H24 119.8 . . ?
C11 C24 H24 119.8 . . ?
C27 C25 H25 119.5 . . ?
C40 C25 H25 119.5 . . ?
C40 C25 C27 121.1(5) . . ?
C5 C26 C33 123.7(5) . . ?
C53 C26 C5 117.3(5) . . ?
C53 C26 C33 118.9(5) . . ?
C14 C27 C25 120.8(5) . . ?
C14 C27 H27 119.6 . . ?
C25 C27 H27 119.6 . . ?
C13 C28 C61 118.0(5) . . ?
C13 C28 C72 122.0(5) . . ?
C61 C28 C72 120.0(5) . . ?
C2 C29 H29 119.2 . . ?
C2 C29 C44 121.7(5) . . ?
C44 C29 H29 119.2 . . ?
C16 C30 H30 119.6 . . ?
C18 C30 C16 120.9(5) . . ?
C18 C30 H30 119.6 . . ?
C37 C31 H31 119.3 . . ?
C55 C31 H31 119.3 . . ?
C55 C31 C37 121.3(5) . . ?
S5 C32 H32A 110.0 . . ?
S5 C32 H32B 110.0 . . ?
C3 C32 S5 108.7(3) . . ?
C3 C32 H32A 110.0 . . ?
C3 C32 H32B 110.0 . . ?
H32A C32 H32B 108.3 . . ?
C26 C33 C51 112.2(4) . . ?
C26 C33 C70 108.9(4) . . ?
C51 C33 C70 108.2(5) . . ?
C80 C33 C26 109.9(5) . . ?
C80 C33 C51 108.4(5) . . ?
C80 C33 C70 109.2(5) . . ?
C6 C34 C54 109.5(4) . . ?
C6 C34 C62 113.1(4) . . ?
C6 C34 C75 109.2(4) . . ?
C62 C34 C54 108.2(4) . . ?
C75 C34 C54 107.0(5) . . ?
C75 C34 C62 109.6(5) . . ?
C46 C35 H35 119.9 . . ?
C52 C35 H35 119.9 . . ?
C52 C35 C46 120.2(5) . . ?
C3 C36 H36 119.6 . . ?
C8 C36 C3 120.8(5) . . ?
C8 C36 H36 119.6 . . ?
C31 C37 C63 119.6(5) . . ?
C50 C37 C31 116.9(5) . . ?
C50 C37 C63 123.5(5) . . ?
S1 C38 H38A 109.6 . . ?
S1 C38 H38B 109.6 . . ?
C16 C38 S1 110.4(3) . . ?
C16 C38 H38A 109.6 . . ?
C16 C38 H38B 109.6 . . ?
H38A C38 H38B 108.1 . . ?
C20 C39 H39 119.3 . . ?
C20 C39 C69 121.4(5) . . ?
C69 C39 H39 119.3 . . ?
C25 C40 C59 122.5(5) . . ?
C25 C40 C68 117.6(5) . . ?
C68 C40 C59 119.9(5) . . ?
S4 C41 H41A 109.6 . . ?
S4 C41 H41B 109.6 . . ?
C14 C41 S4 110.4(4) . . ?
C14 C41 H41A 109.6 . . ?
C14 C41 H41B 109.6 . . ?
H41A C41 H41B 108.1 . . ?
C9 C42 H42 119.6 . . ?
C9 C42 C45 120.8(5) . . ?
C45 C42 H42 119.6 . . ?
S3 C43 H43A 109.7 . . ?
S3 C43 H43B 109.7 . . ?
C15 C43 S3 109.7(4) . . ?
C15 C43 H43A 109.7 . . ?
C15 C43 H43B 109.7 . . ?
H43A C43 H43B 108.2 . . ?
C15 C44 H44 119.6 . . ?
C29 C44 C15 120.7(5) . . ?
C29 C44 H44 119.6 . . ?
C42 C45 H45 119.4 . . ?
C42 C45 C57 121.3(5) . . ?
C57 C45 H45 119.4 . . ?
C22 C46 C35 118.8(5) . . ?
C22 C46 C71 121.8(5) . . ?
C35 C46 C71 119.4(4) . . ?
C15 C47 H47 119.2 . . ?
C15 C47 C67 121.6(5) . . ?
C67 C47 H47 119.2 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C56 C48 H48A 109.5 . . ?
C56 C48 H48B 109.5 . . ?
C56 C48 H48C 109.5 . . ?
C7 C49 H49 119.8 . . ?
C9 C49 C7 120.4(5) . . ?
C9 C49 H49 119.8 . . ?
C17 C50 H50 118.9 . . ?
C37 C50 C17 122.2(5) . . ?
C37 C50 H50 118.9 . . ?
C33 C51 H51A 109.5 . . ?
C33 C51 H51B 109.5 . . ?
C33 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C12 C52 H52 119.2 . . ?
C35 C52 C12 121.7(5) . . ?
C35 C52 H52 119.2 . . ?
C26 C53 H53 119.3 . . ?
C61 C53 C26 121.4(5) . . ?
C61 C53 H53 119.3 . . ?
C34 C54 H54A 109.5 . . ?
C34 C54 H54B 109.5 . . ?
C34 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C1 C55 H55 119.4 . . ?
C31 C55 C1 121.3(5) . . ?
C31 C55 H55 119.4 . . ?
C20 C56 C48 109.0(4) . . ?
C73 C56 C20 112.5(4) . . ?
C73 C56 C48 107.9(4) . . ?
C73 C56 C85 108.3(4) . . ?
C85 C56 C20 109.5(4) . . ?
C85 C56 C48 109.6(5) . . ?
C7 C57 C45 117.1(5) . . ?
C7 C57 C87 123.8(5) . . ?
C45 C57 C87 119.2(5) . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C76 C58 H58A 109.5 . . ?
C76 C58 H58B 109.5 . . ?
C76 C58 H58C 109.5 . . ?
C40 C59 C66 109.8(4) . . ?
C40 C59 C74 107.8(4) . . ?
C66 C59 C74 108.5(4) . . ?
C84 C59 C40 112.3(4) . . ?
C84 C59 C66 109.5(5) . . ?
C84 C59 C74 108.8(5) . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C76 C60 H60A 109.5 . . ?
C76 C60 H60B 109.5 . . ?
C76 C60 H60C 109.5 . . ?
C28 C61 H61 119.5 . . ?
C53 C61 C28 121.0(5) . . ?
C53 C61 H61 119.5 . . ?
C34 C62 H62A 109.5 . . ?
C34 C62 H62B 109.5 . . ?
C34 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C37 C63 C78 108.9(5) . . ?
C37 C63 C79 109.2(5) . . ?
C37 C63 C83 111.7(5) . . ?
C78 C63 C79 109.5(5) . . ?
C78 C63 C83 108.2(5) . . ?
C79 C63 C83 109.2(5) . . ?
C14 C64 H64 119.4 . . ?
C68 C64 C14 121.2(5) . . ?
C68 C64 H64 119.4 . . ?
S8 C65 H65A 109.6 . . ?
S8 C65 H65B 109.6 . . ?
C9 C65 S8 110.3(4) . . ?
C9 C65 H65A 109.6 . . ?
C9 C65 H65B 109.6 . . ?
H65A C65 H65B 108.1 . . ?
C59 C66 H66A 109.5 . . ?
C59 C66 H66B 109.5 . . ?
C59 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C2 C67 C47 120.6(5) . . ?
C2 C67 H67 119.7 . . ?
C47 C67 H67 119.7 . . ?
C40 C68 H68 119.3 . . ?
C64 C68 C40 121.5(5) . . ?
C64 C68 H68 119.3 . . ?
C16 C69 C39 121.1(5) . . ?
C16 C69 H69 119.5 . . ?
C39 C69 H69 119.5 . . ?
C33 C70 H70A 109.5 . . ?
C33 C70 H70B 109.5 . . ?
C33 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
S2 C71 H71A 109.6 . . ?
S2 C71 H71B 109.6 . . ?
C46 C71 S2 110.1(3) . . ?
C46 C71 H71A 109.6 . . ?
C46 C71 H71B 109.6 . . ?
H71A C71 H71B 108.2 . . ?
S6 C72 H72A 109.7 . . ?
S6 C72 H72B 109.7 . . ?
C28 C72 S6 109.7(4) . . ?
C28 C72 H72A 109.7 . . ?
C28 C72 H72B 109.7 . . ?
H72A C72 H72B 108.2 . . ?
C56 C73 H73A 109.5 . . ?
C56 C73 H73B 109.5 . . ?
C56 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C59 C74 H74A 109.5 . . ?
C59 C74 H74B 109.5 . . ?
C59 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C34 C75 H75A 109.5 . . ?
C34 C75 H75B 109.5 . . ?
C34 C75 H75C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C12 C76 C58 108.9(4) . . ?
C12 C76 C60 112.7(4) . . ?
C12 C76 C82 108.7(5) . . ?
C58 C76 C82 109.6(5) . . ?
C60 C76 C58 108.3(5) . . ?
C60 C76 C82 108.5(5) . . ?
C23 C77 H77A 109.5 . . ?
C23 C77 H77B 109.5 . . ?
C23 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C63 C78 H78A 109.5 . . ?
C63 C78 H78B 109.5 . . ?
C63 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C63 C79 H79A 109.5 . . ?
C63 C79 H79B 109.5 . . ?
C63 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C33 C80 H80A 109.5 . . ?
C33 C80 H80B 109.5 . . ?
C33 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C23 C81 H81A 109.5 . . ?
C23 C81 H81B 109.5 . . ?
C23 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C76 C82 H82A 109.5 . . ?
C76 C82 H82B 109.5 . . ?
C76 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C63 C83 H83A 109.5 . . ?
C63 C83 H83B 109.5 . . ?
C63 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C59 C84 H84A 109.5 . . ?
C59 C84 H84B 109.5 . . ?
C59 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C56 C85 H85A 109.5 . . ?
C56 C85 H85B 109.5 . . ?
C56 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C87 C86 H86A 109.5 . . ?
C87 C86 H86B 109.5 . . ?
C87 C86 H86C 109.5 . . ?
C21 C87 C57 108.6(4) . . ?
C86 C87 C21 109.5(5) . . ?
C86 C87 C57 108.9(5) . . ?
C86 C87 C88 109.0(5) . . ?
C88 C87 C21 108.7(5) . . ?
C88 C87 C57 112.1(4) . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C92 C89 C91 125.2(9) . . ?
C92 C89 C93 116.4(9) . . ?
C93 C89 C91 118.4(8) . . ?
C92 C90 H90 119.7 . . ?
C94 C90 H90 119.7 . . ?
C94 C90 C92 120.6(10) . . ?
C89 C91 H91A 109.5 . . ?
C89 C91 H91B 109.5 . . ?
C89 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C89 C92 H92 118.7 . . ?
C90 C92 C89 122.5(9) . . ?
C90 C92 H92 118.7 . . ?
C89 C93 H93 120.4 . . ?
C89 C93 C95 119.1(9) . . ?
C95 C93 H93 120.4 . . ?
C90 C94 H94 120.5 . . ?
C90 C94 C95 119.1(10) . . ?
C95 C94 H94 120.5 . . ?
C93 C95 H95 118.9 . . ?
C94 C95 C93 122.2(9) . . ?
C94 C95 H95 118.9 . . ?
C1C C1B C1A 115.0(11) . . ?
C1C C1B C1G 115.6(11) . . ?
C1G C1B C1A 129.4(12) . . ?
C1D C1C C1B 118.0(12) . . ?
C1C C1D C1E 127.0(12) . . ?
C1D C1E C1F 116.7(12) . . ?
C1G C1F C1E 116.5(11) . . ?
C1F C1G C1B 125.8(11) . . ?

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
Pt01 S1 C38 C16 94.2(3) . . . . ?
Pt01 S5 C32 C3 79.0(4) . . . . ?
Pt01 S6 C72 C28 86.8(4) . . . . ?
Pt01 S7 C10 C1 88.4(4) . . . . ?
Pt02 S2 C71 C46 86.4(4) . . . . ?
Pt02 S3 C43 C15 81.4(4) . . . . ?
Pt02 S4 C41 C14 83.1(4) . . . . ?
Pt02 S8 C65 C9 88.2(4) . . . . ?
Au3 S2 C71 C46 -174.9(3) . . . . ?
Au3 S5 C32 C3 179.9(3) . . . . ?
Au1 S1 C38 C16 -169.0(3) . . . . ?
Au1 S3 C43 C15 -177.1(3) . . . . ?
Au2 S4 C41 C14 -177.7(3) . . . . ?
Au2 S7 C10 C1 -171.6(3) . . . . ?
Au4 S6 C72 C28 -172.6(3) . . . . ?
Au4 S8 C65 C9 -174.9(3) . . . . ?
C1 C17 C50 C37 -1.0(8) . . . . ?
C2 C29 C44 C15 1.4(8) . . . . ?
C4 C12 C52 C35 -0.1(8) . . . . ?
C4 C12 C76 C58 125.4(5) . . . . ?
C4 C12 C76 C60 5.2(7) . . . . ?
C4 C12 C76 C82 -115.2(6) . . . . ?
C4 C22 C46 C35 0.0(7) . . . . ?
C4 C22 C46 C71 179.7(5) . . . . ?
C5 C13 C28 C61 1.7(8) . . . . ?
C5 C13 C28 C72 -177.0(5) . . . . ?
C5 C26 C33 C51 -1.2(8) . . . . ?
C5 C26 C33 C70 118.6(6) . . . . ?
C5 C26 C33 C80 -121.8(6) . . . . ?
C5 C26 C53 C61 0.5(8) . . . . ?
C6 C8 C36 C3 0.8(8) . . . . ?
C6 C11 C24 C3 2.0(8) . . . . ?
C7 C57 C87 C21 122.1(6) . . . . ?
C7 C57 C87 C86 -118.7(6) . . . . ?
C7 C57 C87 C88 2.0(7) . . . . ?
C8 C6 C11 C24 -0.6(8) . . . . ?
C8 C6 C34 C54 133.9(5) . . . . ?
C8 C6 C34 C62 13.2(7) . . . . ?
C8 C6 C34 C75 -109.2(6) . . . . ?
C9 C42 C45 C57 1.4(8) . . . . ?
C10 C1 C17 C50 -176.3(5) . . . . ?
C10 C1 C55 C31 176.4(5) . . . . ?
C11 C6 C8 C36 -0.8(8) . . . . ?
C11 C6 C34 C54 -48.8(6) . . . . ?
C11 C6 C34 C62 -169.6(5) . . . . ?
C11 C6 C34 C75 68.1(6) . . . . ?
C12 C4 C22 C46 1.1(8) . . . . ?
C13 C5 C26 C33 176.8(5) . . . . ?
C13 C5 C26 C53 -0.6(8) . . . . ?
C13 C28 C61 C53 -1.8(8) . . . . ?
C13 C28 C72 S6 -103.3(5) . . . . ?
C14 C64 C68 C40 0.4(9) . . . . ?
C15 C47 C67 C2 0.7(9) . . . . ?
C17 C1 C10 S7 -111.6(5) . . . . ?
C17 C1 C55 C31 -2.6(8) . . . . ?
C18 C20 C39 C69 -0.4(8) . . . . ?
C18 C20 C56 C48 116.6(5) . . . . ?
C18 C20 C56 C73 -3.1(7) . . . . ?
C18 C20 C56 C85 -123.6(5) . . . . ?
C20 C18 C30 C16 0.5(8) . . . . ?
C20 C39 C69 C16 1.0(8) . . . . ?
C22 C4 C12 C52 -1.0(8) . . . . ?
C22 C4 C12 C76 177.9(5) . . . . ?
C22 C46 C71 S2 -91.1(5) . . . . ?
C23 C2 C29 C44 177.4(5) . . . . ?
C23 C2 C67 C47 -178.4(5) . . . . ?
C24 C3 C32 S5 83.7(5) . . . . ?
C24 C3 C36 C8 0.6(7) . . . . ?
C25 C40 C59 C66 129.0(5) . . . . ?
C25 C40 C59 C74 -113.0(6) . . . . ?
C25 C40 C59 C84 6.9(7) . . . . ?
C25 C40 C68 C64 0.7(8) . . . . ?
C26 C5 C13 C28 -0.5(8) . . . . ?
C26 C53 C61 C28 0.7(8) . . . . ?
C27 C14 C41 S4 -94.1(5) . . . . ?
C27 C14 C64 C68 -1.3(8) . . . . ?
C27 C25 C40 C59 177.6(5) . . . . ?
C27 C25 C40 C68 -0.9(8) . . . . ?
C29 C2 C23 C19 8.7(7) . . . . ?
C29 C2 C23 C77 -110.4(6) . . . . ?
C29 C2 C23 C81 129.9(5) . . . . ?
C29 C2 C67 C47 0.1(8) . . . . ?
C30 C16 C38 S1 102.9(5) . . . . ?
C30 C16 C69 C39 -0.8(8) . . . . ?
C30 C18 C20 C39 -0.3(8) . . . . ?
C30 C18 C20 C56 179.9(5) . . . . ?
C31 C37 C50 C17 -0.9(8) . . . . ?
C31 C37 C63 C78 63.1(7) . . . . ?
C31 C37 C63 C79 -56.4(7) . . . . ?
C31 C37 C63 C83 -177.4(5) . . . . ?
C32 C3 C24 C11 179.4(5) . . . . ?
C32 C3 C36 C8 179.2(5) . . . . ?
C33 C26 C53 C61 -177.0(5) . . . . ?
C34 C6 C8 C36 176.5(5) . . . . ?
C34 C6 C11 C24 -178.0(5) . . . . ?
C35 C46 C71 S2 88.6(5) . . . . ?
C36 C3 C24 C11 -2.0(8) . . . . ?
C36 C3 C32 S5 -94.9(5) . . . . ?
C37 C31 C55 C1 0.7(8) . . . . ?
C38 C16 C30 C18 179.3(5) . . . . ?
C38 C16 C69 C39 -180.0(5) . . . . ?
C39 C20 C56 C48 -63.2(6) . . . . ?
C39 C20 C56 C73 177.1(5) . . . . ?
C39 C20 C56 C85 56.7(6) . . . . ?
C40 C25 C27 C14 0.0(8) . . . . ?
C41 C14 C27 C25 -179.4(5) . . . . ?
C41 C14 C64 C68 179.2(5) . . . . ?
C42 C9 C49 C7 -0.4(8) . . . . ?
C42 C9 C65 S8 91.4(5) . . . . ?
C42 C45 C57 C7 -1.0(8) . . . . ?
C42 C45 C57 C87 179.3(5) . . . . ?
C43 C15 C44 C29 179.4(5) . . . . ?
C43 C15 C47 C67 179.6(5) . . . . ?
C44 C15 C43 S3 -93.6(5) . . . . ?
C44 C15 C47 C67 -0.5(8) . . . . ?
C45 C57 C87 C21 -58.3(6) . . . . ?
C45 C57 C87 C86 60.9(6) . . . . ?
C45 C57 C87 C88 -178.4(5) . . . . ?
C46 C35 C52 C12 1.2(8) . . . . ?
C47 C15 C43 S3 86.3(5) . . . . ?
C47 C15 C44 C29 -0.5(8) . . . . ?
C49 C7 C57 C45 0.0(8) . . . . ?
C49 C7 C57 C87 179.6(5) . . . . ?
C49 C9 C42 C45 -0.6(8) . . . . ?
C49 C9 C65 S8 -89.1(5) . . . . ?
C50 C37 C63 C78 -114.5(6) . . . . ?
C50 C37 C63 C79 125.9(6) . . . . ?
C50 C37 C63 C83 5.0(8) . . . . ?
C52 C12 C76 C58 -55.6(7) . . . . ?
C52 C12 C76 C60 -175.9(5) . . . . ?
C52 C12 C76 C82 63.8(6) . . . . ?
C52 C35 C46 C22 -1.1(8) . . . . ?
C52 C35 C46 C71 179.2(5) . . . . ?
C53 C26 C33 C51 176.1(5) . . . . ?
C53 C26 C33 C70 -64.2(6) . . . . ?
C53 C26 C33 C80 55.4(6) . . . . ?
C55 C1 C10 S7 69.4(5) . . . . ?
C55 C1 C17 C50 2.8(8) . . . . ?
C55 C31 C37 C50 1.1(8) . . . . ?
C55 C31 C37 C63 -176.7(5) . . . . ?
C56 C20 C39 C69 179.4(5) . . . . ?
C57 C7 C49 C9 0.8(8) . . . . ?
C59 C40 C68 C64 -177.8(5) . . . . ?
C61 C28 C72 S6 78.0(6) . . . . ?
C63 C37 C50 C17 176.8(5) . . . . ?
C64 C14 C27 C25 1.1(8) . . . . ?
C64 C14 C41 S4 85.4(5) . . . . ?
C65 C9 C42 C45 178.9(5) . . . . ?
C65 C9 C49 C7 -179.9(5) . . . . ?
C67 C2 C23 C19 -172.8(5) . . . . ?
C67 C2 C23 C77 68.1(6) . . . . ?
C67 C2 C23 C81 -51.7(6) . . . . ?
C67 C2 C29 C44 -1.1(8) . . . . ?
C68 C40 C59 C66 -52.5(7) . . . . ?
C68 C40 C59 C74 65.5(6) . . . . ?
C68 C40 C59 C84 -174.6(5) . . . . ?
C69 C16 C30 C18 0.0(7) . . . . ?
C69 C16 C38 S1 -77.9(5) . . . . ?
C72 C28 C61 C53 176.9(5) . . . . ?
C76 C12 C52 C35 -179.1(5) . . . . ?
C89 C93 C95 C94 3.1(14) . . . . ?
C90 C94 C95 C93 -3.3(15) . . . . ?
C91 C89 C92 C90 177.3(9) . . . . ?
C91 C89 C93 C95 -179.7(8) . . . . ?
C92 C89 C93 C95 -0.4(13) . . . . ?
C92 C90 C94 C95 1.0(15) . . . . ?
C93 C89 C92 C90 -1.9(14) . . . . ?
C94 C90 C92 C89 1.6(15) . . . . ?
C1A C1B C1C C1D -176.6(13) . . . . ?
C1A C1B C1G C1F 179.9(12) . . . . ?
C1B C1C C1D C1E -1(3) . . . . ?
C1C C1B C1G C1F 1(2) . . . . ?
C1C C1D C1E C1F -4(3) . . . . ?
C1D C1E C1F C1G 7(2) . . . . ?
C1E C1F C1G C1B -6(2) . . . . ?
C1G C1B C1C C1D 2.6(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Au4Pt2(SC2H4Ph)8
_database_code_depnum_ccdc_archive 'CCDC 1956253'
loop_
_audit_author_name
_audit_author_address
'Sakiat Hossain'
;Tokyo university of science
Japan
;
_audit_update_record             
;
2019-09-27 deposited with the CCDC.	2019-12-23 downloaded from the CCDC.
;
_audit_creation_date             2018-08-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.02.23 svn.r3390 for OlexSys, GUI svn.r5320)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        'Au4Pt2(SC2H4Ph)8 polymer'
_chemical_formula_moiety         '0.25(C256 H288 Au16 Pt8 S32), 0.5(C7 H8)'
_chemical_formula_sum            'C67.50 H76 Au4 Pt2 S8'
_chemical_formula_weight         2321.80
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.0367(17)
_cell_length_b                   30.034(3)
_cell_length_c                   24.600(2)
_cell_angle_alpha                90
_cell_angle_beta                 94.5890(10)
_cell_angle_gamma                90
_cell_volume                     13284(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7623
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      24.863
_cell_measurement_theta_min      2.265
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.290
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5572
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1034 before and 0.0535 after correction. The Ratio of minimum to maximum transmission is 0.7477. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.322
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             8648
_exptl_crystal_recrystallization_method 
'EtOH vapor diffusion to the toluene solution of the sample'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0702
_diffrn_reflns_av_unetI/netI     0.0902
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            64038
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         1.320
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15798
_reflns_number_total             23360
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         1.205
_refine_diff_density_min         -1.780
_refine_diff_density_rms         0.281
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1469
_refine_ls_number_reflns         23360
_refine_ls_number_restraints     1713
_refine_ls_R_factor_all          0.0818
_refine_ls_R_factor_gt           0.0409
_refine_ls_restrained_S_all      0.962
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0194P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0822
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17
\\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25
\\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33
\\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41
\\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49
\\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57
\\sim C58 \\sim C59 \\sim C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65
\\sim C66 \\sim C67 \\sim C68 \\sim C69 \\sim C70 \\sim C71 \\sim C72 \\sim C73
\\sim C74 \\sim C75 \\sim C76 \\sim C77 \\sim C78 \\sim C79 \\sim C80 \\sim C81
\\sim C82 \\sim C83 \\sim C84 \\sim C85 \\sim C86 \\sim C87 \\sim C88 \\sim C89
\\sim C90 \\sim C91 \\sim C92 \\sim C93 \\sim C94 \\sim C95 \\sim C96 \\sim C97
\\sim C98 \\sim C99 \\sim C100 \\sim C101 \\sim C102 \\sim C103 \\sim C104
\\sim C105 \\sim C106 \\sim C107 \\sim C108 \\sim C109 \\sim C110 \\sim C111
\\sim C112 \\sim C113 \\sim C114 \\sim C115 \\sim C116 \\sim C117 \\sim C118
\\sim C119 \\sim C120 \\sim C121 \\sim C122 \\sim C123 \\sim C124 \\sim C125
\\sim C126 \\sim C127 \\sim C128 \\sim C129 \\sim C130 \\sim C131 \\sim C132
\\sim C133 \\sim C134 \\sim C135: within 1.7A with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(C64) \\sim Ueq, Uanis(C128) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C16)
\\sim Ueq, Uanis(C76) \\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C88) \\sim Ueq:
with sigma of 0.005 and sigma for terminal atoms of 0.002
3. Rigid body (RIGU) restrains
 C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14, C15, C16, C17,
 C18, C19, C20, C21, C22, C23, C24, C25, C26, C27, C28, C29, C30, C31, C32, C33,
  C34, C35, C36, C37, C38, C39, C40, C41, C42, C43, C44, C45, C46, C47, C48,
 C49, C50, C51, C52, C53, C54, C55, C56, C57, C58, C59, C60, C61, C62, C63, C64,
  C65, C66, C67, C68, C69, C70, C71, C72, C73, C74, C75, C76, C77, C78, C79,
 C80, C81, C82, C83, C84, C85, C86, C87, C88, C89, C90, C91, C92, C93, C94, C95,
  C96, C97, C98, C99, C100, C101, C102, C103, C104, C105, C106, C107, C108,
 C109, C110, C111, C112, C113, C114, C115, C116, C117, C118, C119, C120, C121,
 C122, C123, C124, C125, C126, C127, C128, C129, C130, C131, C132, C133, C134,
 C135
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C8(H8A,H8B),
 C11(H11A,H11B), C16(H16A,H16B), C19(H19A,H19B), C24(H24A,H24B), C27(H27A,H27B),
  C29(H29A,H29B), C36(H36A,H36B), C37(H37A,H37B), C38(H38A,H38B), C39(H39A,
 H39B), C48(H48A,H48B), C60(H60A,H60B), C61(H61A,H61B), C64(H64A,H64B),
 C66(H66A,H66B), C71(H71A,H71B), C75(H75A,H75B), C76(H76A,H76B), C84(H84A,H84B),
  C91(H91A,H91B), C100(H10A,H10B), C104(H10C,H10D), C106(H10E,H10F), C107(H10G,
 H10H), C115(H11C,H11D), C128(H12A,H12B)
4.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C12(H12), C13(H13), C14(H14), C21(H21), C22(H22), C23(H23), C25(H25),
 C28(H28), C30(H30), C31(H31), C32(H32), C34(H34), C35(H35), C40(H40), C41(H41),
  C42(H42), C43(H43), C44(H44), C46(H46), C47(H47), C51(H51), C53(H53),
 C54(H54), C55(H55), C56(H56), C57(H57), C58(H58), C59(H59), C62(H62), C63(H63),
  C68(H68), C69(H69), C70(H70), C72(H72), C73(H73), C74(H74), C77(H77),
 C78(H78), C79(H79), C80(H80), C81(H81), C82(H82), C83(H83), C85(H85), C86(H86),
  C87(H87), C88(H88), C89(H89), C90(H90), C92(H92), C93(H93), C94(H94),
 C95(H95), C96(H96), C97(H97), C98(H98), C101(H101), C102(H102), C103(H103),
 C105(H105), C108(H108), C109(H109), C110(H110), C111(H111), C112(H112),
 C113(H113), C114(H114), C116(H116), C117(H117), C118(H118), C119(H119),
 C120(H120), C121(H121), C122(H122), C123(H123), C124(H124), C125(H125),
 C126(H126), C127(H127), C129(H129), C130(H130), C131(H131), C132(H132),
 C134(H134)
4.c Idealised Me refined as rotating group:
 C135(H13A,H13B,H13C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.85070(3) 0.18539(2) 0.77705(2) 0.01144(10) Uani 1 1 d . . . . .
Pt2 Pt 0.62357(3) 0.18902(2) 0.66474(2) 0.01300(10) Uani 1 1 d . . . . .
Pt3 Pt 0.81066(3) 0.43775(2) 0.69547(2) 0.01227(10) Uani 1 1 d . . . . .
Pt4 Pt 0.67942(3) 0.42870(2) 0.85635(2) 0.01188(10) Uani 1 1 d . . . . .
Au2 Au 0.76138(3) 0.51061(2) 0.79634(2) 0.01438(11) Uani 1 1 d . . . . .
Au3 Au 0.72855(3) 0.35781(2) 0.75363(2) 0.01292(10) Uani 1 1 d . . . . .
Au4 Au 0.74288(3) 0.10874(2) 0.70230(2) 0.01382(10) Uani 1 1 d . . . . .
Au5 Au 0.72923(3) 0.26260(2) 0.74008(2) 0.01353(10) Uani 1 1 d . . . . .
Au6 Au 0.64157(3) 0.45434(2) 0.72507(2) 0.01616(11) Uani 1 1 d . . . . .
Au7 Au 0.66861(3) 0.17411(2) 0.79448(2) 0.01536(11) Uani 1 1 d . . . . .
Au8 Au 0.85281(3) 0.41430(2) 0.82900(2) 0.01481(11) Uani 1 1 d . . . . .
Au9 Au 0.80534(3) 0.19558(2) 0.64816(2) 0.01558(11) Uani 1 1 d . . . . .
S00D S 0.76640(17) 0.36835(9) 0.66657(11) 0.0153(7) Uani 1 1 d . . . . .
S00E S 0.91637(17) 0.17848(9) 0.69925(11) 0.0164(7) Uani 1 1 d . . . . .
S00F S 0.85374(17) 0.26237(8) 0.77181(11) 0.0142(6) Uani 1 1 d . . . . .
S00G S 0.79364(17) 0.42500(9) 0.90818(11) 0.0158(7) Uani 1 1 d . . . . .
S00H S 0.56727(17) 0.15476(9) 0.73615(11) 0.0157(7) Uani 1 1 d . . . . .
S00I S 0.67709(17) 0.50654(9) 0.86248(11) 0.0148(6) Uani 1 1 d . . . . .
S00J S 0.65221(17) 0.11867(9) 0.63170(11) 0.0147(6) Uani 1 1 d . . . . .
S00K S 0.83118(16) 0.10853(9) 0.77589(11) 0.0142(6) Uani 1 1 d . . . . .
S00L S 0.70592(17) 0.47151(9) 0.64974(11) 0.0167(7) Uani 1 1 d . . . . .
S00M S 0.77351(17) 0.19172(9) 0.84918(11) 0.0141(6) Uani 1 1 d . . . . .
S00N S 0.84902(17) 0.50602(9) 0.73332(11) 0.0168(7) Uani 1 1 d . . . . .
S00O S 0.69761(17) 0.22148(9) 0.60181(11) 0.0170(7) Uani 1 1 d . . . . .
S00P S 0.68818(17) 0.35267(9) 0.84009(11) 0.0151(7) Uani 1 1 d . . . . .
S00Q S 0.57462(17) 0.43128(9) 0.79540(11) 0.0163(7) Uani 1 1 d . . . . .
S00R S 0.60645(17) 0.25825(9) 0.70451(11) 0.0171(7) Uani 1 1 d . . . . .
S00S S 0.90753(17) 0.40332(9) 0.74880(11) 0.0163(7) Uani 1 1 d . . . . .
C1 C 0.7416(6) 0.3683(3) 0.9850(4) 0.017(2) Uani 1 1 d . U . . .
H1A H 0.693759 0.371964 0.964429 0.020 Uiso 1 1 calc R . . . .
H1B H 0.746385 0.391485 1.012478 0.020 Uiso 1 1 calc R . . . .
C2 C 0.5980(6) 0.3245(4) 0.8335(4) 0.017(3) Uani 1 1 d . U . . .
H2A H 0.564122 0.340605 0.807921 0.020 Uiso 1 1 calc R . . . .
H2B H 0.603899 0.294635 0.819581 0.020 Uiso 1 1 calc R . . . .
C3 C 0.9308(7) 0.3137(4) 0.5800(4) 0.017(2) Uani 1 1 d . U . . .
C4 C 0.6974(7) 0.4266(4) 0.5494(4) 0.018(2) Uani 1 1 d . U . . .
H4A H 0.746893 0.415323 0.559852 0.021 Uiso 1 1 calc R . . . .
H4B H 0.702488 0.454470 0.530086 0.021 Uiso 1 1 calc R . . . .
C5 C 0.5784(7) 0.0431(4) 0.5936(5) 0.024(3) Uani 1 1 d . U . . .
H5A H 0.592904 0.056390 0.560091 0.028 Uiso 1 1 calc R . . . .
H5B H 0.616784 0.022075 0.606254 0.028 Uiso 1 1 calc R . . . .
C6 C 0.9905(6) 0.4383(4) 0.7485(4) 0.018(3) Uani 1 1 d . U . . .
H6A H 0.979116 0.467786 0.761527 0.022 Uiso 1 1 calc R . . . .
H6B H 1.029515 0.425803 0.773371 0.022 Uiso 1 1 calc R . . . .
C7 C 0.4594(7) 0.3173(4) 0.6686(5) 0.023(2) Uani 1 1 d . U . . .
C8 C 0.4841(7) 0.4705(4) 0.8654(4) 0.021(3) Uani 1 1 d . U . . .
H8A H 0.469753 0.439639 0.869959 0.026 Uiso 1 1 calc R . . . .
H8B H 0.524090 0.477155 0.892901 0.026 Uiso 1 1 calc R . . . .
C9 C 1.0975(7) 0.0690(4) 0.7635(4) 0.023(2) Uani 1 1 d . U . . .
H9 H 1.093016 0.096182 0.745493 0.027 Uiso 1 1 calc R . . . .
C10 C 0.7443(7) 0.3230(4) 1.0127(4) 0.018(2) Uani 1 1 d . U . . .
C11 C 0.8027(6) 0.3733(3) 0.9471(4) 0.014(2) Uani 1 1 d . U . . .
H11A H 0.801235 0.348260 0.922097 0.017 Uiso 1 1 calc R . . . .
H11B H 0.850499 0.372877 0.968211 0.017 Uiso 1 1 calc R . . . .
C12 C 0.3953(7) 0.0955(4) 0.6851(5) 0.023(3) Uani 1 1 d . U . . .
H12 H 0.399834 0.107813 0.650830 0.027 Uiso 1 1 calc R . . . .
C13 C 0.5526(7) 0.5555(4) 1.0015(4) 0.018(2) Uani 1 1 d . U . . .
H13 H 0.548158 0.528715 1.019931 0.022 Uiso 1 1 calc R . . . .
C14 C 0.4480(7) 0.0357(4) 0.5469(4) 0.019(2) Uani 1 1 d . U . . .
H14 H 0.453478 0.063619 0.531336 0.023 Uiso 1 1 calc R . . . .
C15 C 0.9562(7) 0.2974(4) 0.9229(4) 0.016(2) Uani 1 1 d . U . . .
C16 C 0.5115(7) 0.4763(3) 0.8102(4) 0.015(2) Uani 1 1 d . U . . .
H16A H 0.537184 0.504575 0.808589 0.018 Uiso 1 1 calc R . . . .
H16B H 0.469619 0.476616 0.782920 0.018 Uiso 1 1 calc R . . . .
C17 C 0.4195(7) 0.4997(4) 0.8736(5) 0.026(2) Uani 1 1 d . U . . .
C18 C 0.5057(7) 0.0185(3) 0.5819(4) 0.016(2) Uani 1 1 d . U . . .
C19 C 1.0294(7) 0.2412(4) 0.7300(5) 0.022(2) Uani 1 1 d . U . . .
H19A H 1.051243 0.269140 0.719386 0.026 Uiso 1 1 calc R . . . .
H19B H 1.003934 0.247125 0.762471 0.026 Uiso 1 1 calc R . . . .
C20 C 1.0922(7) 0.2095(4) 0.7455(5) 0.019(2) Uani 1 1 d . U . . .
C21 C 1.1424(8) 0.4369(4) 0.6529(5) 0.033(3) Uani 1 1 d . U . . .
H21 H 1.135266 0.465556 0.639064 0.040 Uiso 1 1 calc R . . . .
C22 C 0.7433(7) 0.1436(4) 0.4323(5) 0.029(3) Uani 1 1 d . U . . .
H22 H 0.773032 0.128448 0.458748 0.035 Uiso 1 1 calc R . . . .
C23 C 0.9964(7) 0.3364(4) 0.9306(5) 0.023(3) Uani 1 1 d . U . . .
H23 H 1.014204 0.350752 0.900854 0.027 Uiso 1 1 calc R . . . .
C24 C 0.9707(7) 0.2279(3) 0.6846(4) 0.018(2) Uani 1 1 d . U . . .
H24A H 0.995261 0.222616 0.651578 0.022 Uiso 1 1 calc R . . . .
H24B H 0.936825 0.252740 0.677652 0.022 Uiso 1 1 calc R . . . .
C25 C 0.6154(7) 0.6000(4) 0.9406(5) 0.023(3) Uani 1 1 d . U . . .
H25 H 0.653697 0.604168 0.917995 0.028 Uiso 1 1 calc R . . . .
C26 C 0.6127(7) 0.5612(3) 0.9706(4) 0.017(2) Uani 1 1 d . U . . .
C27 C 0.8925(7) 0.5441(4) 0.6404(4) 0.024(3) Uani 1 1 d . U . . .
H27A H 0.894810 0.513179 0.629321 0.029 Uiso 1 1 calc R . . . .
H27B H 0.940746 0.552281 0.657751 0.029 Uiso 1 1 calc R . . . .
C28 C 0.5078(8) 0.2464(4) 0.8931(4) 0.025(3) Uani 1 1 d . U . . .
H28 H 0.555267 0.234761 0.900291 0.030 Uiso 1 1 calc R . . . .
C29 C 0.9763(7) 0.0856(4) 0.8010(5) 0.020(2) Uani 1 1 d . U . . .
H29A H 0.957866 0.080995 0.836571 0.024 Uiso 1 1 calc R . . . .
H29B H 0.992732 0.116249 0.799308 0.024 Uiso 1 1 calc R . . . .
C30 C 1.0569(7) 0.2882(4) 0.5786(4) 0.023(2) Uani 1 1 d . U . . .
H30 H 1.106963 0.291056 0.590384 0.027 Uiso 1 1 calc R . . . .
C31 C 1.0105(7) 0.3543(4) 0.9827(5) 0.026(3) Uani 1 1 d . U . . .
H31 H 1.037732 0.380458 0.987398 0.031 Uiso 1 1 calc R . . . .
C32 C 0.7382(7) 0.2830(4) 0.9834(5) 0.024(3) Uani 1 1 d . U . . .
H32 H 0.730257 0.284517 0.945600 0.028 Uiso 1 1 calc R . . . .
C33 C 1.0881(7) 0.4177(4) 0.6831(4) 0.021(2) Uani 1 1 d . U . . .
C34 C 0.3833(7) 0.0125(4) 0.5351(5) 0.026(3) Uani 1 1 d . U . . .
H34 H 0.346263 0.024507 0.511001 0.031 Uiso 1 1 calc R . . . .
C35 C 0.8899(7) 0.0678(4) 0.9498(5) 0.024(3) Uani 1 1 d . U . . .
H35 H 0.880288 0.060432 0.913192 0.029 Uiso 1 1 calc R . . . .
C36 C 0.6743(7) 0.5262(3) 0.9713(4) 0.019(2) Uani 1 1 d . U . . .
H36A H 0.704222 0.528951 1.005719 0.022 Uiso 1 1 calc R . . . .
H36B H 0.650853 0.497097 0.971147 0.022 Uiso 1 1 calc R . . . .
C37 C 0.9426(7) 0.2767(4) 0.8670(4) 0.023(3) Uani 1 1 d . U . . .
H37A H 0.980132 0.287416 0.843974 0.028 Uiso 1 1 calc R . . . .
H37B H 0.948085 0.244687 0.870186 0.028 Uiso 1 1 calc R . . . .
C38 C 0.5731(7) 0.0799(3) 0.6369(4) 0.017(3) Uani 1 1 d . U . . .
H38A H 0.575137 0.066868 0.673012 0.020 Uiso 1 1 calc R . . . .
H38B H 0.526378 0.095823 0.630504 0.020 Uiso 1 1 calc R . . . .
C39 C 0.8726(7) 0.3457(3) 0.5986(4) 0.020(2) Uani 1 1 d . U . . .
H39A H 0.831947 0.347873 0.570364 0.023 Uiso 1 1 calc R . . . .
H39B H 0.894574 0.375069 0.603426 0.023 Uiso 1 1 calc R . . . .
C40 C 0.9851(7) 0.3340(4) 1.0262(5) 0.023(3) Uani 1 1 d . U . . .
H40 H 0.993815 0.346141 1.060903 0.028 Uiso 1 1 calc R . . . .
C41 C 0.3728(7) -0.0281(4) 0.5583(5) 0.024(3) Uani 1 1 d . U . . .
H41 H 0.328402 -0.043458 0.550575 0.029 Uiso 1 1 calc R . . . .
C42 C 1.0057(7) 0.3181(4) 0.5958(4) 0.020(2) Uani 1 1 d . U . . .
H42 H 1.021852 0.341544 0.618359 0.024 Uiso 1 1 calc R . . . .
C43 C 0.9302(7) 0.2763(4) 0.9687(5) 0.023(3) Uani 1 1 d . U . . .
H43 H 0.902895 0.250038 0.964914 0.028 Uiso 1 1 calc R . . . .
C44 C 0.4606(7) 0.3568(4) 0.6967(4) 0.020(2) Uani 1 1 d . U . . .
H44 H 0.495927 0.377920 0.688947 0.025 Uiso 1 1 calc R . . . .
C45 C 0.7191(7) 0.1871(4) 0.4428(5) 0.023(2) Uani 1 1 d . U . . .
C46 C 0.5049(8) 0.6265(4) 0.9768(5) 0.027(3) Uani 1 1 d . U . . .
H46 H 0.469434 0.648682 0.979716 0.032 Uiso 1 1 calc R . . . .
C47 C 0.4283(7) 0.3087(4) 0.8772(5) 0.030(3) Uani 1 1 d . U . . .
H47 H 0.420836 0.339337 0.874785 0.035 Uiso 1 1 calc R . . . .
C48 C 0.7401(8) 0.2086(4) 0.4963(4) 0.025(3) Uani 1 1 d . U . . .
H48A H 0.738943 0.240795 0.492612 0.031 Uiso 1 1 calc R . . . .
H48B H 0.789854 0.199744 0.509928 0.031 Uiso 1 1 calc R . . . .
C49 C 0.4997(7) 0.2921(4) 0.8859(4) 0.021(2) Uani 1 1 d . U . . .
C50 C 0.4006(6) 0.1227(4) 0.7310(5) 0.018(2) Uani 1 1 d . U . . .
C51 C 1.2065(8) 0.4140(5) 0.6434(5) 0.034(3) Uani 1 1 d . U . . .
H51 H 1.242807 0.428000 0.624730 0.041 Uiso 1 1 calc R . . . .
C52 C 0.6560(7) 0.3937(4) 0.5125(4) 0.021(2) Uani 1 1 d . U . . .
C53 C 1.0508(7) 0.0149(4) 0.8239(4) 0.020(2) Uani 1 1 d . U . . .
H53 H 1.014788 0.005383 0.846310 0.025 Uiso 1 1 calc R . . . .
C54 C 1.1118(7) -0.0109(4) 0.8181(5) 0.025(3) Uani 1 1 d . U . . .
H54 H 1.116029 -0.038170 0.835929 0.030 Uiso 1 1 calc R . . . .
C55 C 0.4942(7) -0.0234(4) 0.6057(4) 0.019(2) Uani 1 1 d . U . . .
H55 H 0.530955 -0.035649 0.629900 0.023 Uiso 1 1 calc R . . . .
C56 C 0.7432(7) 0.2426(4) 1.0070(5) 0.025(3) Uani 1 1 d . U . . .
H56 H 0.737463 0.216913 0.986060 0.030 Uiso 1 1 calc R . . . .
C57 C 0.4991(7) 0.5875(4) 1.0061(4) 0.022(3) Uani 1 1 d . U . . .
H57 H 0.460219 0.583159 1.028242 0.027 Uiso 1 1 calc R . . . .
C58 C 0.9461(8) 0.2951(4) 1.0186(5) 0.027(3) Uani 1 1 d . U . . .
H58 H 0.929680 0.280788 1.048973 0.033 Uiso 1 1 calc R . . . .
C59 C 1.1026(8) 0.3744(4) 0.7028(5) 0.028(3) Uani 1 1 d . U . . .
H59 H 1.069188 0.360737 0.724371 0.033 Uiso 1 1 calc R . . . .
C60 C 0.8693(7) 0.1479(3) 0.9241(4) 0.021(3) Uani 1 1 d . U . . .
H60A H 0.904913 0.145789 0.896724 0.025 Uiso 1 1 calc R . . . .
H60B H 0.875682 0.176761 0.941613 0.025 Uiso 1 1 calc R . . . .
C61 C 1.0182(7) 0.4421(4) 0.6931(5) 0.025(3) Uani 1 1 d . U . . .
H61A H 1.025882 0.473396 0.685733 0.030 Uiso 1 1 calc R . . . .
H61B H 0.979158 0.431631 0.666749 0.030 Uiso 1 1 calc R . . . .
C62 C 0.9081(8) 0.0347(4) 0.9873(5) 0.031(3) Uani 1 1 d . U . . .
H62 H 0.912191 0.005337 0.976036 0.037 Uiso 1 1 calc R . . . .
C63 C 0.3582(7) 0.3353(4) 0.7465(5) 0.034(3) Uani 1 1 d . U . . .
H63 H 0.323535 0.341519 0.771528 0.041 Uiso 1 1 calc R . . . .
C64 C 0.7921(7) 0.1450(3) 0.8966(4) 0.017(3) Uani 1 1 d . U . . .
H64A H 0.756240 0.145420 0.923942 0.021 Uiso 1 1 calc R . . . .
H64B H 0.786482 0.117161 0.876792 0.021 Uiso 1 1 calc R . . . .
C65 C 0.8856(7) 0.1122(4) 0.9659(4) 0.018(2) Uani 1 1 d . U . . .
C66 C 0.5955(7) 0.3028(4) 0.6540(4) 0.020(3) Uani 1 1 d . U . . .
H66A H 0.609882 0.330855 0.671304 0.023 Uiso 1 1 calc R . . . .
H66B H 0.628532 0.297299 0.625513 0.023 Uiso 1 1 calc R . . . .
C67 C 1.0418(7) 0.0558(4) 0.7961(4) 0.020(2) Uani 1 1 d . U . . .
C68 C 1.1065(8) 0.1967(4) 0.7999(5) 0.025(3) Uani 1 1 d . U . . .
H68 H 1.074758 0.206201 0.825528 0.030 Uiso 1 1 calc R . . . .
C69 C 0.4259(8) 0.5444(4) 0.8841(5) 0.036(3) Uani 1 1 d . U . . .
H69 H 0.472742 0.557534 0.887328 0.044 Uiso 1 1 calc R . . . .
C70 C 0.8204(7) 0.5608(4) 0.5512(5) 0.024(3) Uani 1 1 d . U . . .
H70 H 0.792512 0.535176 0.555750 0.029 Uiso 1 1 calc R . . . .
C71 C 0.5166(7) 0.3065(4) 0.6287(5) 0.022(2) Uani 1 1 d . U . . .
H71A H 0.503038 0.278597 0.610730 0.027 Uiso 1 1 calc R . . . .
H71B H 0.514942 0.329492 0.600862 0.027 Uiso 1 1 calc R . . . .
C72 C 0.3831(7) 0.0496(4) 0.6900(5) 0.027(3) Uani 1 1 d . U . . .
H72 H 0.380427 0.031699 0.659113 0.032 Uiso 1 1 calc R . . . .
C73 C 0.4291(7) -0.0463(4) 0.5935(4) 0.023(3) Uani 1 1 d . U . . .
H73 H 0.422478 -0.074157 0.608824 0.027 Uiso 1 1 calc R . . . .
C74 C 0.6832(8) 0.1446(4) 0.3418(5) 0.036(3) Uani 1 1 d . U . . .
H74 H 0.671900 0.130567 0.308463 0.043 Uiso 1 1 calc R . . . .
C75 C 0.4157(7) 0.1716(3) 0.7255(5) 0.019(2) Uani 1 1 d . U . . .
H75A H 0.374844 0.188280 0.738797 0.023 Uiso 1 1 calc R . . . .
H75B H 0.417886 0.178720 0.687164 0.023 Uiso 1 1 calc R . . . .
C76 C 0.8667(7) 0.2872(3) 0.8399(4) 0.017(3) Uani 1 1 d . U . . .
H76A H 0.860627 0.319231 0.837072 0.021 Uiso 1 1 calc R . . . .
H76B H 0.828912 0.275886 0.862280 0.021 Uiso 1 1 calc R . . . .
C77 C 0.9072(7) 0.2791(4) 0.5448(4) 0.022(2) Uani 1 1 d . U . . .
H77 H 0.857105 0.275747 0.533364 0.026 Uiso 1 1 calc R . . . .
C78 C 0.7648(7) 0.2783(4) 1.0934(5) 0.031(3) Uani 1 1 d . U . . .
H78 H 0.774187 0.276617 1.131106 0.038 Uiso 1 1 calc R . . . .
C79 C 0.3750(7) 0.0311(4) 0.7399(5) 0.030(3) Uani 1 1 d . U . . .
H79 H 0.366120 0.000743 0.742891 0.036 Uiso 1 1 calc R . . . .
C80 C 0.6776(7) 0.2084(4) 0.4011(5) 0.029(3) Uani 1 1 d . U . . .
H80 H 0.661159 0.237293 0.406760 0.035 Uiso 1 1 calc R . . . .
C81 C 0.6134(7) 0.4052(4) 0.4665(4) 0.025(3) Uani 1 1 d . U . . .
H81 H 0.612183 0.434822 0.455583 0.030 Uiso 1 1 calc R . . . .
C82 C 0.3944(7) 0.1025(4) 0.7814(5) 0.021(3) Uani 1 1 d . U . . .
H82 H 0.399838 0.119647 0.812998 0.025 Uiso 1 1 calc R . . . .
C83 C 1.1592(7) 0.0428(4) 0.7570(5) 0.027(3) Uani 1 1 d . U . . .
H83 H 1.194681 0.051548 0.733744 0.033 Uiso 1 1 calc R . . . .
C84 C 0.7260(6) 0.5267(3) 0.9267(4) 0.014(2) Uani 1 1 d . U . . .
H84A H 0.768533 0.507794 0.936613 0.017 Uiso 1 1 calc R . . . .
H84B H 0.743869 0.556753 0.921690 0.017 Uiso 1 1 calc R . . . .
C85 C 0.4131(7) 0.3668(4) 0.7353(5) 0.032(3) Uani 1 1 d . U . . .
H85 H 0.416722 0.393755 0.753811 0.038 Uiso 1 1 calc R . . . .
C86 C 0.3802(7) 0.0574(4) 0.7853(5) 0.029(3) Uani 1 1 d . U . . .
H86 H 0.374061 0.044823 0.819234 0.034 Uiso 1 1 calc R . . . .
C87 C 0.3630(8) 0.5703(5) 0.8900(5) 0.039(3) Uani 1 1 d . U . . .
H87 H 0.368538 0.600404 0.898193 0.047 Uiso 1 1 calc R . . . .
C88 C 1.0342(7) 0.2545(4) 0.5445(5) 0.026(3) Uani 1 1 d . U . . .
H88 H 1.068896 0.234493 0.532683 0.031 Uiso 1 1 calc R . . . .
C89 C 1.1657(8) 0.3517(4) 0.6905(5) 0.035(3) Uani 1 1 d . U . . .
H89 H 1.172812 0.322632 0.702792 0.042 Uiso 1 1 calc R . . . .
C90 C 1.1402(7) 0.1957(4) 0.7076(5) 0.026(3) Uani 1 1 d . U . . .
H90 H 1.132303 0.204301 0.671276 0.032 Uiso 1 1 calc R . . . .
C91 C 0.8347(7) 0.5492(3) 0.6806(5) 0.021(3) Uani 1 1 d . U . . .
H91A H 0.785392 0.546278 0.662038 0.025 Uiso 1 1 calc R . . . .
H91B H 0.838584 0.578470 0.697241 0.025 Uiso 1 1 calc R . . . .
C92 C 0.3473(8) 0.4806(4) 0.8672(5) 0.033(3) Uani 1 1 d . U . . .
H92 H 0.342043 0.450490 0.858977 0.040 Uiso 1 1 calc R . . . .
C93 C 0.4072(7) 0.2860(4) 0.6803(5) 0.030(3) Uani 1 1 d . U . . .
H93 H 0.405378 0.258789 0.662120 0.036 Uiso 1 1 calc R . . . .
C94 C 0.7574(7) 0.2400(4) 1.0648(5) 0.028(3) Uani 1 1 d . U . . .
H94 H 0.761397 0.212581 1.082378 0.034 Uiso 1 1 calc R . . . .
C95 C 0.6582(7) 0.3485(4) 0.5260(5) 0.023(3) Uani 1 1 d . U . . .
H95 H 0.688731 0.339131 0.556031 0.027 Uiso 1 1 calc R . . . .
C96 C 0.9162(7) 0.6123(4) 0.5847(5) 0.025(3) Uani 1 1 d . U . . .
H96 H 0.952788 0.621069 0.611304 0.030 Uiso 1 1 calc R . . . .
C97 C 1.1674(8) 0.0026(4) 0.7864(5) 0.031(3) Uani 1 1 d . U . . .
H97 H 1.209914 -0.014722 0.784482 0.037 Uiso 1 1 calc R . . . .
C98 C 0.7591(7) 0.3203(4) 1.0691(5) 0.025(3) Uani 1 1 d . U . . .
H98 H 0.764986 0.345930 1.090113 0.030 Uiso 1 1 calc R . . . .
C99 C 0.8753(7) 0.5730(4) 0.5904(5) 0.021(2) Uani 1 1 d . U . . .
C100 C 0.5662(7) 0.3225(4) 0.8891(4) 0.024(3) Uani 1 1 d . U . . .
H10A H 0.603679 0.311447 0.916266 0.029 Uiso 1 1 calc R . . . .
H10B H 0.551649 0.352085 0.899977 0.029 Uiso 1 1 calc R . . . .
C101 C 0.8460(7) 0.6246(4) 0.4984(5) 0.027(3) Uani 1 1 d . U . . .
H101 H 0.836094 0.641710 0.467161 0.033 Uiso 1 1 calc R . . . .
C102 C 0.9001(8) 0.6382(4) 0.5371(5) 0.029(3) Uani 1 1 d . U . . .
H102 H 0.926175 0.664415 0.532110 0.035 Uiso 1 1 calc R . . . .
C103 C 0.9597(8) 0.2498(4) 0.5271(5) 0.027(3) Uani 1 1 d . U . . .
H103 H 0.944730 0.226782 0.503392 0.033 Uiso 1 1 calc R . . . .
C104 C 0.6573(7) 0.4345(4) 0.5991(4) 0.021(3) Uani 1 1 d . U . . .
H10C H 0.648912 0.406080 0.616268 0.026 Uiso 1 1 calc R . . . .
H10D H 0.608955 0.447281 0.588128 0.026 Uiso 1 1 calc R . . . .
C105 C 0.9204(9) 0.0458(4) 1.0421(5) 0.039(3) Uani 1 1 d . U . . .
H105 H 0.932612 0.023740 1.067778 0.047 Uiso 1 1 calc R . . . .
C106 C 0.4891(7) 0.1865(4) 0.7570(5) 0.023(3) Uani 1 1 d . U . . .
H10E H 0.485243 0.182457 0.795800 0.028 Uiso 1 1 calc R . . . .
H10F H 0.497256 0.217870 0.750409 0.028 Uiso 1 1 calc R . . . .
C107 C 0.9139(7) 0.0787(4) 0.7587(5) 0.022(3) Uani 1 1 d . U . . .
H10G H 0.902882 0.047209 0.755395 0.026 Uiso 1 1 calc R . . . .
H10H H 0.928511 0.089170 0.723781 0.026 Uiso 1 1 calc R . . . .
C108 C 0.7232(8) 0.1234(5) 0.3830(5) 0.038(3) Uani 1 1 d . U . . .
H108 H 0.737636 0.094121 0.377846 0.045 Uiso 1 1 calc R . . . .
C109 C 0.6159(7) 0.3172(4) 0.4958(5) 0.027(3) Uani 1 1 d . U . . .
H109 H 0.617564 0.287551 0.506570 0.032 Uiso 1 1 calc R . . . .
C110 C 0.2833(8) 0.5068(4) 0.8730(5) 0.038(3) Uani 1 1 d . U . . .
H110 H 0.236117 0.494122 0.869738 0.045 Uiso 1 1 calc R . . . .
C111 C 0.8067(7) 0.5868(4) 0.5049(5) 0.026(3) Uani 1 1 d . U . . .
H111 H 0.770247 0.578253 0.478003 0.031 Uiso 1 1 calc R . . . .
C112 C 0.3574(8) 0.2949(4) 0.7191(5) 0.035(3) Uani 1 1 d . U . . .
H112 H 0.322795 0.273311 0.726960 0.042 Uiso 1 1 calc R . . . .
C113 C 1.2146(8) 0.1572(4) 0.7787(5) 0.029(3) Uani 1 1 d . U . . .
H113 H 1.256544 0.140402 0.789638 0.035 Uiso 1 1 calc R . . . .
C114 C 0.3670(8) 0.2800(4) 0.8721(5) 0.036(3) Uani 1 1 d . U . . .
H114 H 0.319335 0.291342 0.864367 0.043 Uiso 1 1 calc R . . . .
C115 C 0.6824(7) 0.1931(4) 0.5359(4) 0.021(3) Uani 1 1 d . U . . .
H11C H 0.686677 0.161138 0.541298 0.025 Uiso 1 1 calc R . . . .
H11D H 0.632553 0.199382 0.519970 0.025 Uiso 1 1 calc R . . . .
C116 C 0.9146(9) 0.0892(4) 1.0582(5) 0.041(3) Uani 1 1 d . U . . .
H116 H 0.920901 0.096450 1.095013 0.049 Uiso 1 1 calc R . . . .
C117 C 0.8994(8) 0.1222(4) 1.0198(5) 0.028(3) Uani 1 1 d . U . . .
H117 H 0.898547 0.151733 1.030903 0.033 Uiso 1 1 calc R . . . .
C118 C 0.5610(7) 0.6333(4) 0.9438(5) 0.026(3) Uani 1 1 d . U . . .
H118 H 0.563325 0.659467 0.923807 0.031 Uiso 1 1 calc R . . . .
C119 C 1.2176(8) 0.3708(5) 0.6611(5) 0.036(3) Uani 1 1 d . U . . .
H119 H 1.259780 0.355127 0.653007 0.044 Uiso 1 1 calc R . . . .
C120 C 0.4482(8) 0.2180(4) 0.8898(5) 0.033(3) Uani 1 1 d . U . . .
H120 H 0.455336 0.187610 0.895319 0.040 Uiso 1 1 calc R . . . .
C121 C 0.3774(8) 0.2348(4) 0.8784(5) 0.033(3) Uani 1 1 d . U . . .
H121 H 0.336833 0.215679 0.874993 0.040 Uiso 1 1 calc R . . . .
C122 C 0.8787(8) 0.3916(4) 0.4621(5) 0.037(3) Uani 1 1 d . U . . .
H122 H 0.905770 0.366704 0.474288 0.045 Uiso 1 1 calc R . . . .
C123 C 0.2925(8) 0.5520(5) 0.8838(5) 0.036(3) Uani 1 1 d . U . . .
H123 H 0.251130 0.570029 0.886798 0.044 Uiso 1 1 calc R . . . .
C124 C 0.5722(8) 0.3292(4) 0.4508(5) 0.030(3) Uani 1 1 d . U . . .
H124 H 0.543671 0.308150 0.430850 0.036 Uiso 1 1 calc R . . . .
C125 C 0.7750(8) 0.4214(4) 0.4061(5) 0.036(3) Uani 1 1 d . U . . .
H125 H 0.733529 0.417439 0.381595 0.043 Uiso 1 1 calc R . . . .
C126 C 0.8172(9) 0.3858(5) 0.4251(6) 0.042(3) Uani 1 1 d . U . . .
H126 H 0.804256 0.357300 0.413106 0.050 Uiso 1 1 calc R . . . .
C127 C 0.6594(7) 0.1882(5) 0.3509(5) 0.034(3) Uani 1 1 d . U . . .
H127 H 0.631659 0.203562 0.323478 0.041 Uiso 1 1 calc R . . . .
C128 C 0.8414(7) 0.3311(3) 0.6524(4) 0.019(3) Uani 1 1 d . U . . .
H12A H 0.880346 0.332227 0.681902 0.023 Uiso 1 1 calc R . . . .
H12B H 0.823125 0.300787 0.649114 0.023 Uiso 1 1 calc R . . . .
C129 C 0.7964(8) 0.4634(4) 0.4245(5) 0.037(3) Uani 1 1 d . U . . .
H129 H 0.769044 0.488097 0.412007 0.044 Uiso 1 1 calc R . . . .
C130 C 0.5710(7) 0.3739(4) 0.4350(5) 0.026(3) Uani 1 1 d . U . . .
H130 H 0.542432 0.382892 0.403764 0.032 Uiso 1 1 calc R . . . .
C131 C 1.1664(8) 0.1704(4) 0.8162(5) 0.028(3) Uani 1 1 d . U . . .
H131 H 1.174364 0.161607 0.852441 0.034 Uiso 1 1 calc R . . . .
C132 C 0.8572(9) 0.4692(4) 0.4610(5) 0.039(3) Uani 1 1 d . U . . .
H132 H 0.869762 0.497858 0.472623 0.047 Uiso 1 1 calc R . . . .
C133 C 0.9013(8) 0.4333(4) 0.4814(5) 0.034(3) Uani 1 1 d . U . . .
C134 C 1.2003(7) 0.1690(4) 0.7247(5) 0.029(3) Uani 1 1 d . U . . .
H134 H 1.231591 0.158805 0.699157 0.035 Uiso 1 1 calc R . . . .
C135 C 0.9669(9) 0.4409(4) 0.5187(5) 0.047(4) Uani 1 1 d . U . . .
H13A H 0.981164 0.413590 0.536923 0.070 Uiso 1 1 calc GR . . . .
H13B H 0.955895 0.462900 0.545217 0.070 Uiso 1 1 calc GR . . . .
H13C H 1.007008 0.451262 0.498579 0.070 Uiso 1 1 calc GR . . . .


_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 Au5 3.2689(6) . ?
Pt1 Au9 3.2252(7) . ?
Pt1 S00E 2.339(3) . ?
Pt1 S00F 2.316(3) . ?
Pt1 S00K 2.335(3) . ?
Pt1 S00M 2.349(3) . ?
Pt2 Au7 3.2606(7) . ?
Pt2 S00H 2.337(3) . ?
Pt2 S00J 2.336(3) . ?
Pt2 S00O 2.337(3) . ?
Pt2 S00R 2.329(3) . ?
Pt3 Au3 3.2161(6) . ?
Pt3 Au6 3.2304(7) . ?
Pt3 S00D 2.323(3) . ?
Pt3 S00L 2.350(3) . ?
Pt3 S00N 2.334(3) . ?
Pt3 S00S 2.340(3) . ?
Pt4 Au2 3.2811(6) . ?
Pt4 Au8 3.2798(7) . ?
Pt4 S00G 2.337(3) . ?
Pt4 S00I 2.343(3) . ?
Pt4 S00P 2.326(3) . ?
Pt4 S00Q 2.318(3) . ?
Au2 Au4 2.9486(6) 2_656 ?
Au2 Au6 3.1612(7) . ?
Au2 S00I 2.317(3) . ?
Au2 S00N 2.305(3) . ?
Au3 Au5 2.8793(6) . ?
Au3 Au6 3.3442(6) . ?
Au3 Au8 3.2671(7) . ?
Au3 S00D 2.321(3) . ?
Au3 S00P 2.308(3) . ?
Au4 Au7 3.3580(6) . ?
Au4 Au9 3.1757(6) . ?
Au4 S00J 2.308(3) . ?
Au4 S00K 2.313(3) . ?
Au5 Au7 3.2069(6) . ?
Au5 S00F 2.318(3) . ?
Au5 S00R 2.319(3) . ?
Au6 S00L 2.322(3) . ?
Au6 S00Q 2.295(3) . ?
Au7 S00H 2.306(3) . ?
Au7 S00M 2.294(3) . ?
Au8 S00G 2.317(3) . ?
Au8 S00S 2.299(3) . ?
Au9 S00E 2.335(3) . ?
Au9 S00O 2.308(3) . ?
S00D C128 1.811(11) . ?
S00E C24 1.831(10) . ?
S00F C76 1.832(11) . ?
S00G C11 1.825(10) . ?
S00H C106 1.810(12) . ?
S00I C84 1.849(11) . ?
S00J C38 1.854(11) . ?
S00K C107 1.819(12) . ?
S00L C104 1.839(11) . ?
S00M C64 1.838(10) . ?
S00N C91 1.838(11) . ?
S00O C115 1.834(10) . ?
S00P C2 1.828(11) . ?
S00Q C16 1.822(10) . ?
S00R C66 1.826(11) . ?
S00S C6 1.829(12) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C10 1.522(14) . ?
C1 C11 1.507(14) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C100 1.528(14) . ?
C3 C39 1.522(15) . ?
C3 C42 1.383(16) . ?
C3 C77 1.396(15) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C52 1.499(15) . ?
C4 C104 1.490(14) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C18 1.512(16) . ?
C5 C38 1.542(14) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C61 1.492(14) . ?
C7 C44 1.370(15) . ?
C7 C71 1.516(16) . ?
C7 C93 1.378(16) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C16 1.491(13) . ?
C8 C17 1.487(16) . ?
C9 H9 0.9300 . ?
C9 C67 1.392(16) . ?
C9 C83 1.383(16) . ?
C10 C32 1.400(15) . ?
C10 C98 1.393(15) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12 0.9300 . ?
C12 C50 1.392(15) . ?
C12 C72 1.401(15) . ?
C13 H13 0.9300 . ?
C13 C26 1.384(15) . ?
C13 C57 1.374(15) . ?
C14 H14 0.9300 . ?
C14 C18 1.397(16) . ?
C14 C34 1.369(16) . ?
C15 C23 1.381(15) . ?
C15 C37 1.513(14) . ?
C15 C43 1.404(15) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C69 1.369(16) . ?
C17 C92 1.421(18) . ?
C18 C55 1.412(14) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C20 1.505(16) . ?
C19 C24 1.528(16) . ?
C20 C68 1.396(15) . ?
C20 C90 1.386(16) . ?
C21 H21 0.9300 . ?
C21 C33 1.401(16) . ?
C21 C51 1.381(18) . ?
C22 H22 0.9300 . ?
C22 C45 1.405(16) . ?
C22 C108 1.377(16) . ?
C23 H23 0.9300 . ?
C23 C31 1.394(15) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 H25 0.9300 . ?
C25 C26 1.381(15) . ?
C25 C118 1.408(16) . ?
C26 C36 1.530(15) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C91 1.501(15) . ?
C27 C99 1.516(15) . ?
C28 H28 0.9300 . ?
C28 C49 1.390(15) . ?
C28 C120 1.370(17) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C67 1.495(16) . ?
C29 C107 1.484(16) . ?
C30 H30 0.9300 . ?
C30 C42 1.379(15) . ?
C30 C88 1.356(16) . ?
C31 H31 0.9300 . ?
C31 C40 1.344(16) . ?
C32 H32 0.9300 . ?
C32 C56 1.346(15) . ?
C33 C59 1.407(15) . ?
C33 C61 1.494(16) . ?
C34 H34 0.9300 . ?
C34 C41 1.366(15) . ?
C35 H35 0.9300 . ?
C35 C62 1.377(15) . ?
C35 C65 1.395(14) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 C84 1.496(14) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C37 C76 1.508(16) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 C128 1.542(14) . ?
C40 H40 0.9300 . ?
C40 C58 1.369(16) . ?
C41 H41 0.9300 . ?
C41 C73 1.392(16) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C43 C58 1.361(15) . ?
C44 H44 0.9300 . ?
C44 C85 1.363(16) . ?
C45 C48 1.490(15) . ?
C45 C80 1.378(17) . ?
C46 H46 0.9300 . ?
C46 C57 1.383(15) . ?
C46 C118 1.363(16) . ?
C47 H47 0.9300 . ?
C47 C49 1.382(17) . ?
C47 C114 1.401(18) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C48 C115 1.553(15) . ?
C49 C100 1.503(16) . ?
C50 C75 1.502(14) . ?
C50 C82 1.393(14) . ?
C51 H51 0.9300 . ?
C51 C119 1.378(17) . ?
C52 C81 1.359(16) . ?
C52 C95 1.398(15) . ?
C53 H53 0.9300 . ?
C53 C54 1.361(16) . ?
C53 C67 1.409(14) . ?
C54 H54 0.9300 . ?
C54 C97 1.379(17) . ?
C55 H55 0.9300 . ?
C55 C73 1.374(16) . ?
C56 H56 0.9300 . ?
C56 C94 1.428(16) . ?
C57 H57 0.9300 . ?
C58 H58 0.9300 . ?
C59 H59 0.9300 . ?
C59 C89 1.379(17) . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C60 C64 1.500(16) . ?
C60 C65 1.499(14) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 H62 0.9300 . ?
C62 C105 1.388(16) . ?
C63 H63 0.9300 . ?
C63 C85 1.412(17) . ?
C63 C112 1.388(17) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C65 C117 1.361(15) . ?
C66 H66A 0.9700 . ?
C66 H66B 0.9700 . ?
C66 C71 1.510(16) . ?
C68 H68 0.9300 . ?
C68 C131 1.372(17) . ?
C69 H69 0.9300 . ?
C69 C87 1.393(18) . ?
C70 H70 0.9300 . ?
C70 C99 1.375(17) . ?
C70 C111 1.389(15) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C72 H72 0.9300 . ?
C72 C79 1.365(16) . ?
C73 H73 0.9300 . ?
C74 H74 0.9300 . ?
C74 C108 1.353(19) . ?
C74 C127 1.402(17) . ?
C75 H75A 0.9700 . ?
C75 H75B 0.9700 . ?
C75 C106 1.545(16) . ?
C76 H76A 0.9700 . ?
C76 H76B 0.9700 . ?
C77 H77 0.9300 . ?
C77 C103 1.388(16) . ?
C78 H78 0.9300 . ?
C78 C94 1.348(16) . ?
C78 C98 1.396(16) . ?
C79 H79 0.9300 . ?
C79 C86 1.365(16) . ?
C80 H80 0.9300 . ?
C80 C127 1.392(16) . ?
C81 H81 0.9300 . ?
C81 C130 1.405(16) . ?
C82 H82 0.9300 . ?
C82 C86 1.385(14) . ?
C83 H83 0.9300 . ?
C83 C97 1.409(16) . ?
C84 H84A 0.9700 . ?
C84 H84B 0.9700 . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C87 H87 0.9300 . ?
C87 C123 1.382(19) . ?
C88 H88 0.9300 . ?
C88 C103 1.385(17) . ?
C89 H89 0.9300 . ?
C89 C119 1.356(18) . ?
C90 H90 0.9300 . ?
C90 C134 1.386(17) . ?
C91 H91A 0.9700 . ?
C91 H91B 0.9700 . ?
C92 H92 0.9300 . ?
C92 C110 1.414(17) . ?
C93 H93 0.9300 . ?
C93 C112 1.390(17) . ?
C94 H94 0.9300 . ?
C95 H95 0.9300 . ?
C95 C109 1.388(16) . ?
C96 H96 0.9300 . ?
C96 C99 1.407(16) . ?
C96 C102 1.416(16) . ?
C97 H97 0.9300 . ?
C98 H98 0.9300 . ?
C100 H10A 0.9700 . ?
C100 H10B 0.9700 . ?
C101 H101 0.9300 . ?
C101 C102 1.368(18) . ?
C101 C111 1.355(16) . ?
C102 H102 0.9300 . ?
C103 H103 0.9300 . ?
C104 H10C 0.9700 . ?
C104 H10D 0.9700 . ?
C105 H105 0.9300 . ?
C105 C116 1.368(16) . ?
C106 H10E 0.9700 . ?
C106 H10F 0.9700 . ?
C107 H10G 0.9700 . ?
C107 H10H 0.9700 . ?
C108 H108 0.9300 . ?
C109 H109 0.9300 . ?
C109 C124 1.355(17) . ?
C110 H110 0.9300 . ?
C110 C123 1.391(17) . ?
C111 H111 0.9300 . ?
C112 H112 0.9300 . ?
C113 H113 0.9300 . ?
C113 C131 1.377(16) . ?
C113 C134 1.379(16) . ?
C114 H114 0.9300 . ?
C114 C121 1.375(16) . ?
C115 H11C 0.9700 . ?
C115 H11D 0.9700 . ?
C116 H116 0.9300 . ?
C116 C117 1.382(16) . ?
C117 H117 0.9300 . ?
C118 H118 0.9300 . ?
C119 H119 0.9300 . ?
C120 H120 0.9300 . ?
C120 C121 1.381(18) . ?
C121 H121 0.9300 . ?
C122 H122 0.9300 . ?
C122 C126 1.39(2) . ?
C122 C133 1.389(17) . ?
C123 H123 0.9300 . ?
C124 H124 0.9300 . ?
C124 C130 1.398(16) . ?
C125 H125 0.9300 . ?
C125 C126 1.372(18) . ?
C125 C129 1.385(17) . ?
C126 H126 0.9300 . ?
C127 H127 0.9300 . ?
C128 H12A 0.9700 . ?
C128 H12B 0.9700 . ?
C129 H129 0.9300 . ?
C129 C132 1.37(2) . ?
C130 H130 0.9300 . ?
C131 H131 0.9300 . ?
C132 H132 0.9300 . ?
C132 C133 1.408(18) . ?
C133 C135 1.46(2) . ?
C134 H134 0.9300 . ?
C135 H13A 0.9600 . ?
C135 H13B 0.9600 . ?
C135 H13C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au9 Pt1 Au5 63.098(13) . . ?
S00E Pt1 Au5 101.96(7) . . ?
S00E Pt1 Au9 46.31(8) . . ?
S00E Pt1 S00M 174.10(11) . . ?
S00F Pt1 Au5 45.16(8) . . ?
S00F Pt1 Au9 81.71(7) . . ?
S00F Pt1 S00E 91.56(10) . . ?
S00F Pt1 S00K 172.00(11) . . ?
S00F Pt1 S00M 88.82(10) . . ?
S00K Pt1 Au5 126.93(8) . . ?
S00K Pt1 Au9 93.19(7) . . ?
S00K Pt1 S00E 89.31(9) . . ?
S00K Pt1 S00M 89.51(10) . . ?
S00M Pt1 Au5 74.23(7) . . ?
S00M Pt1 Au9 128.02(7) . . ?
S00H Pt2 Au7 45.01(7) . . ?
S00H Pt2 S00O 170.88(11) . . ?
S00J Pt2 Au7 99.88(7) . . ?
S00J Pt2 S00H 89.13(9) . . ?
S00J Pt2 S00O 89.59(10) . . ?
S00O Pt2 Au7 126.50(7) . . ?
S00R Pt2 Au7 75.07(7) . . ?
S00R Pt2 S00H 89.83(10) . . ?
S00R Pt2 S00J 173.68(11) . . ?
S00R Pt2 S00O 90.45(10) . . ?
Au3 Pt3 Au6 62.499(14) . . ?
S00D Pt3 Au3 46.15(7) . . ?
S00D Pt3 Au6 84.25(8) . . ?
S00D Pt3 S00L 89.84(10) . . ?
S00D Pt3 S00N 173.74(10) . . ?
S00D Pt3 S00S 89.88(10) . . ?
S00L Pt3 Au3 98.85(7) . . ?
S00L Pt3 Au6 45.89(7) . . ?
S00N Pt3 Au3 127.64(7) . . ?
S00N Pt3 Au6 91.69(8) . . ?
S00N Pt3 S00L 90.75(10) . . ?
S00N Pt3 S00S 88.88(10) . . ?
S00S Pt3 Au3 76.73(7) . . ?
S00S Pt3 Au6 128.16(7) . . ?
S00S Pt3 S00L 174.02(10) . . ?
Au8 Pt4 Au2 62.306(14) . . ?
S00G Pt4 Au2 82.64(7) . . ?
S00G Pt4 Au8 44.95(7) . . ?
S00G Pt4 S00I 91.83(10) . . ?
S00I Pt4 Au2 44.93(7) . . ?
S00I Pt4 Au8 99.62(8) . . ?
S00P Pt4 Au2 128.28(7) . . ?
S00P Pt4 Au8 75.89(8) . . ?
S00P Pt4 S00G 88.75(10) . . ?
S00P Pt4 S00I 172.93(10) . . ?
S00Q Pt4 Au2 93.29(7) . . ?
S00Q Pt4 Au8 127.83(7) . . ?
S00Q Pt4 S00G 172.77(10) . . ?
S00Q Pt4 S00I 89.45(10) . . ?
S00Q Pt4 S00P 89.12(10) . . ?
Au4 Au2 Pt4 136.991(19) 2_656 . ?
Au4 Au2 Au6 121.56(2) 2_656 . ?
Au6 Au2 Pt4 62.363(15) . . ?
S00I Au2 Pt4 45.57(6) . . ?
S00I Au2 Au4 91.47(7) . 2_656 ?
S00I Au2 Au6 84.46(7) . . ?
S00N Au2 Pt4 128.00(7) . . ?
S00N Au2 Au4 95.01(7) . 2_656 ?
S00N Au2 Au6 94.02(7) . . ?
S00N Au2 S00I 173.14(10) . . ?
Pt3 Au3 Au6 58.960(15) . . ?
Pt3 Au3 Au8 62.963(14) . . ?
Au5 Au3 Pt3 133.119(19) . . ?
Au5 Au3 Au6 147.46(2) . . ?
Au5 Au3 Au8 124.920(19) . . ?
Au8 Au3 Au6 87.595(16) . . ?
S00D Au3 Pt3 46.19(7) . . ?
S00D Au3 Au5 91.39(7) . . ?
S00D Au3 Au6 81.70(7) . . ?
S00D Au3 Au8 102.34(7) . . ?
S00P Au3 Pt3 130.58(7) . . ?
S00P Au3 Au5 92.57(7) . . ?
S00P Au3 Au6 94.27(7) . . ?
S00P Au3 Au8 76.38(8) . . ?
S00P Au3 S00D 175.84(10) . . ?
Au2 Au4 Au7 124.370(18) 2_646 . ?
Au2 Au4 Au9 146.73(2) 2_646 . ?
Au9 Au4 Au7 88.693(16) . . ?
S00J Au4 Au2 96.90(7) . 2_646 ?
S00J Au4 Au7 97.80(7) . . ?
S00J Au4 Au9 80.33(7) . . ?
S00J Au4 S00K 172.44(9) . . ?
S00K Au4 Au2 90.30(7) . 2_646 ?
S00K Au4 Au7 76.12(7) . . ?
S00K Au4 Au9 94.89(7) . . ?
Au3 Au5 Pt1 132.95(2) . . ?
Au3 Au5 Au7 140.362(19) . . ?
Au7 Au5 Pt1 62.567(15) . . ?
S00F Au5 Pt1 45.12(6) . . ?
S00F Au5 Au3 88.68(7) . . ?
S00F Au5 Au7 102.15(7) . . ?
S00F Au5 S00R 175.77(10) . . ?
S00R Au5 Pt1 131.58(7) . . ?
S00R Au5 Au3 94.99(7) . . ?
S00R Au5 Au7 76.32(7) . . ?
Pt3 Au6 Au3 58.541(13) . . ?
Au2 Au6 Pt3 65.903(15) . . ?
Au2 Au6 Au3 93.357(17) . . ?
S00L Au6 Pt3 46.62(8) . . ?
S00L Au6 Au2 87.75(8) . . ?
S00L Au6 Au3 95.98(7) . . ?
S00Q Au6 Pt3 133.36(8) . . ?
S00Q Au6 Au2 96.94(7) . . ?
S00Q Au6 Au3 81.15(7) . . ?
S00Q Au6 S00L 174.62(10) . . ?
Pt2 Au7 Au4 60.062(14) . . ?
Au5 Au7 Pt2 62.889(13) . . ?
Au5 Au7 Au4 92.005(16) . . ?
S00H Au7 Pt2 45.78(7) . . ?
S00H Au7 Au4 76.80(7) . . ?
S00H Au7 Au5 103.23(7) . . ?
S00M Au7 Pt2 132.19(7) . . ?
S00M Au7 Au4 100.14(7) . . ?
S00M Au7 Au5 76.17(7) . . ?
S00M Au7 S00H 176.89(10) . . ?
Au3 Au8 Pt4 64.074(15) . . ?
S00G Au8 Pt4 45.44(7) . . ?
S00G Au8 Au3 102.00(8) . . ?
S00S Au8 Pt4 132.59(8) . . ?
S00S Au8 Au3 76.15(8) . . ?
S00S Au8 S00G 177.99(11) . . ?
Au4 Au9 Pt1 65.187(14) . . ?
S00E Au9 Pt1 46.43(7) . . ?
S00E Au9 Au4 84.92(7) . . ?
S00O Au9 Pt1 130.91(7) . . ?
S00O Au9 Au4 99.85(7) . . ?
S00O Au9 S00E 172.78(10) . . ?
Au3 S00D Pt3 87.66(9) . . ?
C128 S00D Pt3 111.7(4) . . ?
C128 S00D Au3 111.9(4) . . ?
Au9 S00E Pt1 87.26(10) . . ?
C24 S00E Pt1 113.7(4) . . ?
C24 S00E Au9 99.5(4) . . ?
Pt1 S00F Au5 89.72(10) . . ?
C76 S00F Pt1 110.9(4) . . ?
C76 S00F Au5 110.8(4) . . ?
Au8 S00G Pt4 89.61(10) . . ?
C11 S00G Pt4 111.4(4) . . ?
C11 S00G Au8 107.1(3) . . ?
Au7 S00H Pt2 89.21(10) . . ?
C106 S00H Pt2 112.1(4) . . ?
C106 S00H Au7 106.7(4) . . ?
Au2 S00I Pt4 89.50(10) . . ?
C84 S00I Pt4 111.8(4) . . ?
C84 S00I Au2 106.7(4) . . ?
Au4 S00J Pt2 91.04(10) . . ?
C38 S00J Pt2 110.6(4) . . ?
C38 S00J Au4 111.7(4) . . ?
Au4 S00K Pt1 95.77(10) . . ?
C107 S00K Pt1 111.3(4) . . ?
C107 S00K Au4 110.2(4) . . ?
Au6 S00L Pt3 87.49(9) . . ?
C104 S00L Pt3 112.7(4) . . ?
C104 S00L Au6 99.5(4) . . ?
Au7 S00M Pt1 92.82(10) . . ?
C64 S00M Pt1 109.2(4) . . ?
C64 S00M Au7 107.3(4) . . ?
Au2 S00N Pt3 97.10(11) . . ?
C91 S00N Pt3 108.5(4) . . ?
C91 S00N Au2 111.5(4) . . ?
Au9 S00O Pt2 92.02(10) . . ?
C115 S00O Pt2 109.8(4) . . ?
C115 S00O Au9 109.9(4) . . ?
Au3 S00P Pt4 97.10(10) . . ?
C2 S00P Pt4 113.4(4) . . ?
C2 S00P Au3 107.0(3) . . ?
Au6 S00Q Pt4 92.68(11) . . ?
C16 S00Q Pt4 112.7(4) . . ?
C16 S00Q Au6 107.6(3) . . ?
Au5 S00R Pt2 93.10(11) . . ?
C66 S00R Pt2 112.3(4) . . ?
C66 S00R Au5 105.3(4) . . ?
Au8 S00S Pt3 93.74(11) . . ?
C6 S00S Pt3 108.6(4) . . ?
C6 S00S Au8 109.2(4) . . ?
H1A C1 H1B 108.0 . . ?
C10 C1 H1A 109.3 . . ?
C10 C1 H1B 109.3 . . ?
C11 C1 H1A 109.3 . . ?
C11 C1 H1B 109.3 . . ?
C11 C1 C10 111.5(9) . . ?
S00P C2 H2A 109.8 . . ?
S00P C2 H2B 109.8 . . ?
H2A C2 H2B 108.2 . . ?
C100 C2 S00P 109.6(7) . . ?
C100 C2 H2A 109.8 . . ?
C100 C2 H2B 109.8 . . ?
C42 C3 C39 122.5(10) . . ?
C42 C3 C77 119.2(11) . . ?
C77 C3 C39 118.3(11) . . ?
H4A C4 H4B 108.1 . . ?
C52 C4 H4A 109.5 . . ?
C52 C4 H4B 109.5 . . ?
C104 C4 H4A 109.5 . . ?
C104 C4 H4B 109.5 . . ?
C104 C4 C52 110.5(10) . . ?
H5A C5 H5B 107.9 . . ?
C18 C5 H5A 109.1 . . ?
C18 C5 H5B 109.1 . . ?
C18 C5 C38 112.3(9) . . ?
C38 C5 H5A 109.1 . . ?
C38 C5 H5B 109.1 . . ?
S00S C6 H6A 109.1 . . ?
S00S C6 H6B 109.1 . . ?
H6A C6 H6B 107.9 . . ?
C61 C6 S00S 112.4(8) . . ?
C61 C6 H6A 109.1 . . ?
C61 C6 H6B 109.1 . . ?
C44 C7 C71 121.9(11) . . ?
C44 C7 C93 118.0(12) . . ?
C93 C7 C71 120.0(11) . . ?
H8A C8 H8B 107.9 . . ?
C16 C8 H8A 109.2 . . ?
C16 C8 H8B 109.2 . . ?
C17 C8 H8A 109.2 . . ?
C17 C8 H8B 109.2 . . ?
C17 C8 C16 112.0(9) . . ?
C67 C9 H9 119.0 . . ?
C83 C9 H9 119.0 . . ?
C83 C9 C67 122.0(11) . . ?
C32 C10 C1 122.5(10) . . ?
C98 C10 C1 119.7(10) . . ?
C98 C10 C32 117.6(10) . . ?
S00G C11 H11A 109.3 . . ?
S00G C11 H11B 109.3 . . ?
C1 C11 S00G 111.7(7) . . ?
C1 C11 H11A 109.3 . . ?
C1 C11 H11B 109.3 . . ?
H11A C11 H11B 107.9 . . ?
C50 C12 H12 119.7 . . ?
C50 C12 C72 120.5(11) . . ?
C72 C12 H12 119.7 . . ?
C26 C13 H13 118.5 . . ?
C57 C13 H13 118.5 . . ?
C57 C13 C26 123.0(11) . . ?
C18 C14 H14 119.2 . . ?
C34 C14 H14 119.2 . . ?
C34 C14 C18 121.5(11) . . ?
C23 C15 C37 121.2(10) . . ?
C23 C15 C43 118.6(10) . . ?
C43 C15 C37 120.2(11) . . ?
S00Q C16 H16A 109.5 . . ?
S00Q C16 H16B 109.5 . . ?
C8 C16 S00Q 110.7(7) . . ?
C8 C16 H16A 109.5 . . ?
C8 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C69 C17 C8 123.4(12) . . ?
C69 C17 C92 118.7(12) . . ?
C92 C17 C8 117.9(11) . . ?
C14 C18 C5 121.9(10) . . ?
C14 C18 C55 117.3(11) . . ?
C55 C18 C5 120.8(11) . . ?
H19A C19 H19B 107.0 . . ?
C20 C19 H19A 107.6 . . ?
C20 C19 H19B 107.6 . . ?
C20 C19 C24 118.8(9) . . ?
C24 C19 H19A 107.6 . . ?
C24 C19 H19B 107.6 . . ?
C68 C20 C19 119.7(10) . . ?
C90 C20 C19 121.1(11) . . ?
C90 C20 C68 119.0(12) . . ?
C33 C21 H21 119.5 . . ?
C51 C21 H21 119.5 . . ?
C51 C21 C33 121.0(13) . . ?
C45 C22 H22 119.8 . . ?
C108 C22 H22 119.8 . . ?
C108 C22 C45 120.4(12) . . ?
C15 C23 H23 119.7 . . ?
C15 C23 C31 120.5(11) . . ?
C31 C23 H23 119.7 . . ?
S00E C24 H24A 108.6 . . ?
S00E C24 H24B 108.6 . . ?
C19 C24 S00E 114.8(8) . . ?
C19 C24 H24A 108.6 . . ?
C19 C24 H24B 108.6 . . ?
H24A C24 H24B 107.5 . . ?
C26 C25 H25 119.5 . . ?
C26 C25 C118 121.0(11) . . ?
C118 C25 H25 119.5 . . ?
C13 C26 C36 120.6(10) . . ?
C25 C26 C13 117.4(11) . . ?
C25 C26 C36 122.0(10) . . ?
H27A C27 H27B 108.0 . . ?
C91 C27 H27A 109.3 . . ?
C91 C27 H27B 109.3 . . ?
C91 C27 C99 111.6(10) . . ?
C99 C27 H27A 109.3 . . ?
C99 C27 H27B 109.3 . . ?
C49 C28 H28 118.8 . . ?
C120 C28 H28 118.8 . . ?
C120 C28 C49 122.3(13) . . ?
H29A C29 H29B 107.5 . . ?
C67 C29 H29A 108.6 . . ?
C67 C29 H29B 108.6 . . ?
C107 C29 H29A 108.6 . . ?
C107 C29 H29B 108.6 . . ?
C107 C29 C67 114.8(9) . . ?
C42 C30 H30 120.0 . . ?
C88 C30 H30 120.0 . . ?
C88 C30 C42 120.0(12) . . ?
C23 C31 H31 119.7 . . ?
C40 C31 C23 120.6(12) . . ?
C40 C31 H31 119.7 . . ?
C10 C32 H32 118.3 . . ?
C56 C32 C10 123.4(11) . . ?
C56 C32 H32 118.3 . . ?
C21 C33 C59 116.3(12) . . ?
C21 C33 C61 121.4(11) . . ?
C59 C33 C61 122.2(11) . . ?
C14 C34 H34 119.6 . . ?
C41 C34 C14 120.7(12) . . ?
C41 C34 H34 119.6 . . ?
C62 C35 H35 119.5 . . ?
C62 C35 C65 121.0(11) . . ?
C65 C35 H35 119.5 . . ?
C26 C36 H36A 107.7 . . ?
C26 C36 H36B 107.7 . . ?
H36A C36 H36B 107.1 . . ?
C84 C36 C26 118.6(9) . . ?
C84 C36 H36A 107.7 . . ?
C84 C36 H36B 107.7 . . ?
C15 C37 H37A 109.0 . . ?
C15 C37 H37B 109.0 . . ?
H37A C37 H37B 107.8 . . ?
C76 C37 C15 113.0(9) . . ?
C76 C37 H37A 109.0 . . ?
C76 C37 H37B 109.0 . . ?
S00J C38 H38A 110.1 . . ?
S00J C38 H38B 110.1 . . ?
C5 C38 S00J 108.2(8) . . ?
C5 C38 H38A 110.1 . . ?
C5 C38 H38B 110.1 . . ?
H38A C38 H38B 108.4 . . ?
C3 C39 H39A 109.1 . . ?
C3 C39 H39B 109.1 . . ?
C3 C39 C128 112.7(9) . . ?
H39A C39 H39B 107.8 . . ?
C128 C39 H39A 109.1 . . ?
C128 C39 H39B 109.1 . . ?
C31 C40 H40 120.6 . . ?
C31 C40 C58 118.8(11) . . ?
C58 C40 H40 120.6 . . ?
C34 C41 H41 120.3 . . ?
C34 C41 C73 119.4(12) . . ?
C73 C41 H41 120.3 . . ?
C3 C42 H42 119.5 . . ?
C30 C42 C3 121.0(11) . . ?
C30 C42 H42 119.5 . . ?
C15 C43 H43 120.8 . . ?
C58 C43 C15 118.4(12) . . ?
C58 C43 H43 120.8 . . ?
C7 C44 H44 118.1 . . ?
C85 C44 C7 123.8(12) . . ?
C85 C44 H44 118.1 . . ?
C22 C45 C48 120.4(11) . . ?
C80 C45 C22 117.0(11) . . ?
C80 C45 C48 122.6(11) . . ?
C57 C46 H46 119.0 . . ?
C118 C46 H46 119.0 . . ?
C118 C46 C57 121.9(12) . . ?
C49 C47 H47 119.6 . . ?
C49 C47 C114 120.7(12) . . ?
C114 C47 H47 119.6 . . ?
C45 C48 H48A 110.4 . . ?
C45 C48 H48B 110.4 . . ?
C45 C48 C115 106.7(10) . . ?
H48A C48 H48B 108.6 . . ?
C115 C48 H48A 110.4 . . ?
C115 C48 H48B 110.4 . . ?
C28 C49 C100 121.2(12) . . ?
C47 C49 C28 117.6(12) . . ?
C47 C49 C100 121.3(11) . . ?
C12 C50 C75 120.1(10) . . ?
C82 C50 C12 117.5(11) . . ?
C82 C50 C75 122.3(10) . . ?
C21 C51 H51 119.4 . . ?
C119 C51 C21 121.2(13) . . ?
C119 C51 H51 119.4 . . ?
C81 C52 C4 123.9(11) . . ?
C81 C52 C95 116.5(11) . . ?
C95 C52 C4 119.5(10) . . ?
C54 C53 H53 119.8 . . ?
C54 C53 C67 120.5(12) . . ?
C67 C53 H53 119.8 . . ?
C53 C54 H54 119.2 . . ?
C53 C54 C97 121.6(11) . . ?
C97 C54 H54 119.2 . . ?
C18 C55 H55 119.8 . . ?
C73 C55 C18 120.5(11) . . ?
C73 C55 H55 119.8 . . ?
C32 C56 H56 120.6 . . ?
C32 C56 C94 118.7(11) . . ?
C94 C56 H56 120.6 . . ?
C13 C57 C46 117.8(11) . . ?
C13 C57 H57 121.1 . . ?
C46 C57 H57 121.1 . . ?
C40 C58 H58 118.5 . . ?
C43 C58 C40 123.1(12) . . ?
C43 C58 H58 118.5 . . ?
C33 C59 H59 119.5 . . ?
C89 C59 C33 121.1(13) . . ?
C89 C59 H59 119.5 . . ?
H60A C60 H60B 107.8 . . ?
C64 C60 H60A 109.0 . . ?
C64 C60 H60B 109.0 . . ?
C65 C60 H60A 109.0 . . ?
C65 C60 H60B 109.0 . . ?
C65 C60 C64 113.1(10) . . ?
C6 C61 C33 117.4(10) . . ?
C6 C61 H61A 107.9 . . ?
C6 C61 H61B 107.9 . . ?
C33 C61 H61A 107.9 . . ?
C33 C61 H61B 107.9 . . ?
H61A C61 H61B 107.2 . . ?
C35 C62 H62 120.4 . . ?
C35 C62 C105 119.2(11) . . ?
C105 C62 H62 120.4 . . ?
C85 C63 H63 121.0 . . ?
C112 C63 H63 121.0 . . ?
C112 C63 C85 118.0(13) . . ?
S00M C64 H64A 109.4 . . ?
S00M C64 H64B 109.4 . . ?
C60 C64 S00M 111.0(8) . . ?
C60 C64 H64A 109.4 . . ?
C60 C64 H64B 109.4 . . ?
H64A C64 H64B 108.0 . . ?
C35 C65 C60 120.1(10) . . ?
C117 C65 C35 118.5(10) . . ?
C117 C65 C60 121.4(10) . . ?
S00R C66 H66A 109.1 . . ?
S00R C66 H66B 109.1 . . ?
H66A C66 H66B 107.8 . . ?
C71 C66 S00R 112.5(8) . . ?
C71 C66 H66A 109.1 . . ?
C71 C66 H66B 109.1 . . ?
C9 C67 C29 119.2(10) . . ?
C9 C67 C53 117.8(11) . . ?
C53 C67 C29 122.9(11) . . ?
C20 C68 H68 119.3 . . ?
C131 C68 C20 121.3(12) . . ?
C131 C68 H68 119.3 . . ?
C17 C69 H69 119.7 . . ?
C17 C69 C87 120.7(14) . . ?
C87 C69 H69 119.7 . . ?
C99 C70 H70 120.1 . . ?
C99 C70 C111 119.8(12) . . ?
C111 C70 H70 120.1 . . ?
C7 C71 H71A 108.6 . . ?
C7 C71 H71B 108.6 . . ?
C66 C71 C7 114.6(10) . . ?
C66 C71 H71A 108.6 . . ?
C66 C71 H71B 108.6 . . ?
H71A C71 H71B 107.6 . . ?
C12 C72 H72 119.8 . . ?
C79 C72 C12 120.5(12) . . ?
C79 C72 H72 119.8 . . ?
C41 C73 H73 119.7 . . ?
C55 C73 C41 120.6(11) . . ?
C55 C73 H73 119.7 . . ?
C108 C74 H74 121.0 . . ?
C108 C74 C127 118.0(12) . . ?
C127 C74 H74 121.0 . . ?
C50 C75 H75A 109.0 . . ?
C50 C75 H75B 109.0 . . ?
C50 C75 C106 113.0(9) . . ?
H75A C75 H75B 107.8 . . ?
C106 C75 H75A 109.0 . . ?
C106 C75 H75B 109.0 . . ?
S00F C76 H76A 109.4 . . ?
S00F C76 H76B 109.4 . . ?
C37 C76 S00F 111.3(8) . . ?
C37 C76 H76A 109.4 . . ?
C37 C76 H76B 109.4 . . ?
H76A C76 H76B 108.0 . . ?
C3 C77 H77 120.5 . . ?
C103 C77 C3 119.0(12) . . ?
C103 C77 H77 120.5 . . ?
C94 C78 H78 118.5 . . ?
C94 C78 C98 123.0(12) . . ?
C98 C78 H78 118.5 . . ?
C72 C79 H79 120.2 . . ?
C72 C79 C86 119.7(12) . . ?
C86 C79 H79 120.2 . . ?
C45 C80 H80 119.0 . . ?
C45 C80 C127 122.1(12) . . ?
C127 C80 H80 119.0 . . ?
C52 C81 H81 118.8 . . ?
C52 C81 C130 122.5(11) . . ?
C130 C81 H81 118.8 . . ?
C50 C82 H82 119.5 . . ?
C86 C82 C50 121.1(11) . . ?
C86 C82 H82 119.5 . . ?
C9 C83 H83 120.6 . . ?
C9 C83 C97 118.7(12) . . ?
C97 C83 H83 120.6 . . ?
S00I C84 H84A 109.7 . . ?
S00I C84 H84B 109.7 . . ?
C36 C84 S00I 109.9(8) . . ?
C36 C84 H84A 109.7 . . ?
C36 C84 H84B 109.7 . . ?
H84A C84 H84B 108.2 . . ?
C44 C85 C63 118.7(12) . . ?
C44 C85 H85 120.7 . . ?
C63 C85 H85 120.7 . . ?
C79 C86 C82 120.7(12) . . ?
C79 C86 H86 119.7 . . ?
C82 C86 H86 119.7 . . ?
C69 C87 H87 119.5 . . ?
C123 C87 C69 121.1(14) . . ?
C123 C87 H87 119.5 . . ?
C30 C88 H88 119.8 . . ?
C30 C88 C103 120.3(12) . . ?
C103 C88 H88 119.8 . . ?
C59 C89 H89 119.2 . . ?
C119 C89 C59 121.7(13) . . ?
C119 C89 H89 119.2 . . ?
C20 C90 H90 120.5 . . ?
C20 C90 C134 119.0(12) . . ?
C134 C90 H90 120.5 . . ?
S00N C91 H91A 109.9 . . ?
S00N C91 H91B 109.9 . . ?
C27 C91 S00N 109.1(8) . . ?
C27 C91 H91A 109.9 . . ?
C27 C91 H91B 109.9 . . ?
H91A C91 H91B 108.3 . . ?
C17 C92 H92 119.6 . . ?
C110 C92 C17 120.8(13) . . ?
C110 C92 H92 119.6 . . ?
C7 C93 H93 119.9 . . ?
C7 C93 C112 120.2(12) . . ?
C112 C93 H93 119.9 . . ?
C56 C94 H94 120.8 . . ?
C78 C94 C56 118.4(11) . . ?
C78 C94 H94 120.8 . . ?
C52 C95 H95 119.1 . . ?
C109 C95 C52 121.8(12) . . ?
C109 C95 H95 119.1 . . ?
C99 C96 H96 121.0 . . ?
C99 C96 C102 118.0(12) . . ?
C102 C96 H96 121.0 . . ?
C54 C97 C83 119.3(12) . . ?
C54 C97 H97 120.4 . . ?
C83 C97 H97 120.4 . . ?
C10 C98 C78 118.8(11) . . ?
C10 C98 H98 120.6 . . ?
C78 C98 H98 120.6 . . ?
C70 C99 C27 120.4(11) . . ?
C70 C99 C96 120.5(11) . . ?
C96 C99 C27 119.2(12) . . ?
C2 C100 H10A 109.8 . . ?
C2 C100 H10B 109.8 . . ?
C49 C100 C2 109.4(9) . . ?
C49 C100 H10A 109.8 . . ?
C49 C100 H10B 109.8 . . ?
H10A C100 H10B 108.2 . . ?
C102 C101 H101 119.3 . . ?
C111 C101 H101 119.3 . . ?
C111 C101 C102 121.3(12) . . ?
C96 C102 H102 120.1 . . ?
C101 C102 C96 119.9(12) . . ?
C101 C102 H102 120.1 . . ?
C77 C103 C88 120.5(11) . . ?
C77 C103 H103 119.7 . . ?
C88 C103 H103 119.7 . . ?
S00L C104 H10C 108.6 . . ?
S00L C104 H10D 108.6 . . ?
C4 C104 S00L 114.6(8) . . ?
C4 C104 H10C 108.6 . . ?
C4 C104 H10D 108.6 . . ?
H10C C104 H10D 107.6 . . ?
C62 C105 H105 120.0 . . ?
C116 C105 C62 119.9(11) . . ?
C116 C105 H105 120.0 . . ?
S00H C106 H10E 109.4 . . ?
S00H C106 H10F 109.4 . . ?
C75 C106 S00H 111.2(8) . . ?
C75 C106 H10E 109.4 . . ?
C75 C106 H10F 109.4 . . ?
H10E C106 H10F 108.0 . . ?
S00K C107 H10G 109.4 . . ?
S00K C107 H10H 109.4 . . ?
C29 C107 S00K 111.0(8) . . ?
C29 C107 H10G 109.4 . . ?
C29 C107 H10H 109.4 . . ?
H10G C107 H10H 108.0 . . ?
C22 C108 H108 118.7 . . ?
C74 C108 C22 122.6(14) . . ?
C74 C108 H108 118.7 . . ?
C95 C109 H109 119.5 . . ?
C124 C109 C95 121.1(12) . . ?
C124 C109 H109 119.5 . . ?
C92 C110 H110 120.8 . . ?
C123 C110 C92 118.4(14) . . ?
C123 C110 H110 120.8 . . ?
C70 C111 H111 119.8 . . ?
C101 C111 C70 120.5(13) . . ?
C101 C111 H111 119.8 . . ?
C63 C112 C93 121.3(13) . . ?
C63 C112 H112 119.3 . . ?
C93 C112 H112 119.3 . . ?
C131 C113 H113 120.3 . . ?
C131 C113 C134 119.4(13) . . ?
C134 C113 H113 120.3 . . ?
C47 C114 H114 120.1 . . ?
C121 C114 C47 119.8(13) . . ?
C121 C114 H114 120.1 . . ?
S00O C115 H11C 109.5 . . ?
S00O C115 H11D 109.5 . . ?
C48 C115 S00O 110.7(8) . . ?
C48 C115 H11C 109.5 . . ?
C48 C115 H11D 109.5 . . ?
H11C C115 H11D 108.1 . . ?
C105 C116 H116 120.0 . . ?
C105 C116 C117 120.0(12) . . ?
C117 C116 H116 120.0 . . ?
C65 C117 C116 121.3(11) . . ?
C65 C117 H117 119.4 . . ?
C116 C117 H117 119.4 . . ?
C25 C118 H118 120.6 . . ?
C46 C118 C25 118.7(11) . . ?
C46 C118 H118 120.6 . . ?
C51 C119 H119 120.7 . . ?
C89 C119 C51 118.5(13) . . ?
C89 C119 H119 120.7 . . ?
C28 C120 H120 120.3 . . ?
C28 C120 C121 119.4(12) . . ?
C121 C120 H120 120.3 . . ?
C114 C121 C120 120.0(13) . . ?
C114 C121 H121 120.0 . . ?
C120 C121 H121 120.0 . . ?
C126 C122 H122 118.8 . . ?
C126 C122 C133 122.3(14) . . ?
C133 C122 H122 118.8 . . ?
C87 C123 C110 120.3(14) . . ?
C87 C123 H123 119.9 . . ?
C110 C123 H123 119.9 . . ?
C109 C124 H124 120.7 . . ?
C109 C124 C130 118.5(12) . . ?
C130 C124 H124 120.7 . . ?
C126 C125 H125 121.1 . . ?
C126 C125 C129 117.7(15) . . ?
C129 C125 H125 121.1 . . ?
C122 C126 H126 119.4 . . ?
C125 C126 C122 121.2(14) . . ?
C125 C126 H126 119.4 . . ?
C74 C127 H127 120.1 . . ?
C80 C127 C74 119.7(12) . . ?
C80 C127 H127 120.1 . . ?
S00D C128 H12A 110.0 . . ?
S00D C128 H12B 110.0 . . ?
C39 C128 S00D 108.6(7) . . ?
C39 C128 H12A 110.0 . . ?
C39 C128 H12B 110.0 . . ?
H12A C128 H12B 108.3 . . ?
C125 C129 H129 119.4 . . ?
C132 C129 C125 121.1(14) . . ?
C132 C129 H129 119.4 . . ?
C81 C130 H130 120.2 . . ?
C124 C130 C81 119.5(12) . . ?
C124 C130 H130 120.2 . . ?
C68 C131 C113 119.7(12) . . ?
C68 C131 H131 120.2 . . ?
C113 C131 H131 120.2 . . ?
C129 C132 H132 118.8 . . ?
C129 C132 C133 122.4(13) . . ?
C133 C132 H132 118.8 . . ?
C122 C133 C132 115.2(14) . . ?
C122 C133 C135 124.0(13) . . ?
C132 C133 C135 120.8(13) . . ?
C90 C134 H134 119.2 . . ?
C113 C134 C90 121.6(12) . . ?
C113 C134 H134 119.2 . . ?
C133 C135 H13A 109.5 . . ?
C133 C135 H13B 109.5 . . ?
C133 C135 H13C 109.5 . . ?
H13A C135 H13B 109.5 . . ?
H13A C135 H13C 109.5 . . ?
H13B C135 H13C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Au4Pt2(SCH2PhCl)8
_database_code_depnum_ccdc_archive 'CCDC 1956252'
loop_
_audit_author_name
_audit_author_address
'Sakiat Hossain'
;Tokyo university of science
Japan
;
_audit_update_record             
;
2019-09-27 deposited with the CCDC.	2019-12-23 downloaded from the CCDC.
;
_audit_creation_date             2019-09-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(Au8 C112 Cl16 Pt4 S16)'
_chemical_formula_sum            'C56 Au4 Cl8 Pt2 S8'
_chemical_formula_weight         2390.69
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
S S 0.1246 0.1234 '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      tetragonal
_space_group_IT_number           142
_space_group_name_H-M_alt        'I 41/a c d'
_space_group_name_Hall           '-I 4bd 2c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+1/4, x+3/4, z+1/4'
'y+1/4, -x+1/4, z+3/4'
'-x+1/2, y, -z'
'x, -y, -z+1/2'
'y+1/4, x+3/4, -z+3/4'
'-y+1/4, -x+1/4, -z+1/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+3/4, x+5/4, z+3/4'
'y+3/4, -x+3/4, z+5/4'
'-x+1, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1'
'y+3/4, x+5/4, -z+5/4'
'-y+3/4, -x+3/4, -z+3/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-1/4, -x-3/4, -z-1/4'
'-y-1/4, x-1/4, -z-3/4'
'x-1/2, -y, z'
'-x, y, z-1/2'
'-y-1/4, -x-3/4, z-3/4'
'y-1/4, x-1/4, z-1/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y+1/4, -x-1/4, -z+1/4'
'-y+1/4, x+1/4, -z-1/4'
'x, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z'
'-y+1/4, -x-1/4, z-1/4'
'y+1/4, x+1/4, z+1/4'

_cell_length_a                   30.110(7)
_cell_length_b                   30.110(7)
_cell_length_c                   15.878(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14394(8)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    3984
_cell_measurement_temperature    100
_cell_measurement_theta_max      20.83
_cell_measurement_theta_min      2.71
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    12.556
_exptl_absorpt_correction_T_max  0.7446
_exptl_absorpt_correction_T_min  0.3354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1332 before and 0.0621 after correction.
The Ratio of minimum to maximum transmission is 0.4504.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.206
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             8576
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15010
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        20.909
_diffrn_reflns_theta_max         20.909
_diffrn_reflns_theta_min         1.353
_diffrn_ambient_temperature      100
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1084
_reflns_number_total             1910
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         3.115
_refine_diff_density_min         -1.669
_refine_diff_density_rms         0.380
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         1910
_refine_ls_number_restraints     174
_refine_ls_R_factor_all          0.1480
_refine_ls_R_factor_gt           0.1038
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1301P)²+3792.4656P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3015
_refine_ls_wR_factor_ref         0.3552
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
C008 \\sim C14 \\sim C2AA \\sim C8 \\sim C1AA \\sim C3AA \\sim C009 \\sim C00B
\\sim C13 \\sim C9 \\sim C4 \\sim C1 \\sim C2 \\sim C0AA: within 1.7A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Cl00 \\sim Cl06: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02
2. Rigid body (RIGU) restrains
 C008, C14, C2AA, C8, C1AA, C3AA, C009, C00B, C13, C9, C4, C1, C2, C0AA
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl00, Cl06
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Fitted hexagon refined as free rotating group:
 C008(C14,C2AA,C8,C1AA,C3AA), C009(C00B,C13,C9,C4,C1)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_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
Au1 Au 0.500000 0.250000 0.72195(12) 0.0570(10) Uani 1 2 d S T P . .
Pt1 Pt 0.55604(6) 0.19396(6) 0.875000 0.0597(10) Uani 1 2 d S T P . .
Au2 Au 0.55408(6) 0.30408(6) 0.875000 0.0661(10) Uani 1 2 d S T P . .
S004 S 0.6077(4) 0.2509(4) 0.8920(7) 0.078(4) Uani 1 1 d . . . . .
S005 S 0.5608(5) 0.2032(5) 0.7293(7) 0.086(4) Uani 1 1 d . . . . .
Cl06 Cl 0.6247(6) 0.1658(6) 0.5478(8) 0.135(7) Uani 1 1 d . U . . .
Cl00 Cl 0.7211(9) 0.3040(11) 0.9057(14) 0.213(12) Uani 1 1 d . U . . .
C008 C 0.6877(13) 0.2362(19) 0.815(3) 0.152(12) Uani 1 1 d . U . . .
C14 C 0.6893(13) 0.194(2) 0.779(2) 0.155(13) Uani 1 1 d G U . . .
C2AA C 0.7267(19) 0.1677(14) 0.789(2) 0.156(13) Uani 1 1 d G U . . .
C8 C 0.7625(13) 0.1832(19) 0.836(3) 0.154(13) Uani 1 1 d G U . . .
C1AA C 0.7609(13) 0.225(2) 0.873(2) 0.154(13) Uani 1 1 d G U . . .
C3AA C 0.7235(19) 0.2517(14) 0.862(2) 0.153(13) Uani 1 1 d G U . . .
C009 C 0.5887(10) 0.1231(11) 0.683(2) 0.103(8) Uani 1 1 d . U . . .
C00B C 0.5905(10) 0.0916(13) 0.7471(18) 0.108(8) Uani 1 1 d G U . . .
C13 C 0.6274(13) 0.0641(11) 0.7546(18) 0.111(8) Uani 1 1 d G U . . .
C9 C 0.6625(11) 0.0682(12) 0.698(2) 0.113(8) Uani 1 1 d G U . . .
C4 C 0.6607(10) 0.0998(13) 0.6344(19) 0.112(8) Uani 1 1 d G U . . .
C1 C 0.6237(12) 0.1272(11) 0.6270(17) 0.107(8) Uani 1 1 d G U . . .
C2 C 0.646(2) 0.261(3) 0.802(3) 0.150(13) Uani 1 1 d . U . . .
C0AA C 0.5471(19) 0.1490(19) 0.670(3) 0.099(8) Uani 1 1 d . 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 Au1 3.079(4) 27_566 ?
Au1 Au2 3.348(2) . ?
Au1 Au2 3.348(2) 10_554 ?
Au1 S005 2.312(13) . ?
Au1 S005 2.312(13) 10_554 ?
Pt1 S004 2.330(13) . ?
Pt1 S004 2.330(13) 16_556 ?
Pt1 S005 2.335(11) 16_556 ?
Pt1 S005 2.335(11) . ?
Au2 S004 2.291(13) 7_546 ?
Au2 S004 2.291(13) . ?
S004 C2 1.87(5) . ?
S005 C0AA 1.93(6) . ?
Cl06 C1 1.71(3) . ?
Cl00 C3AA 1.72(5) . ?
C008 C14 1.3900 . ?
C008 C3AA 1.3900 . ?
C008 C2 1.48(7) . ?
C14 C2AA 1.3900 . ?
C2AA C8 1.3900 . ?
C8 C1AA 1.3900 . ?
C1AA C3AA 1.3900 . ?
C009 C00B 1.3900 . ?
C009 C1 1.3900 . ?
C009 C0AA 1.49(6) . ?
C00B C13 1.3900 . ?
C13 C9 1.3900 . ?
C9 C4 1.3900 . ?
C4 C1 1.3900 . ?

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
Au1 Au1 Au2 136.54(4) 27_566 . ?
Au1 Au1 Au2 136.54(4) 27_566 10_554 ?
Au2 Au1 Au2 86.92(8) 10_554 . ?
S005 Au1 Au1 92.9(3) 10_554 27_566 ?
S005 Au1 Au1 92.9(3) . 27_566 ?
S005 Au1 Au2 93.0(3) . 10_554 ?
S005 Au1 Au2 82.8(3) 10_554 10_554 ?
S005 Au1 Au2 82.8(3) . . ?
S005 Au1 Au2 93.0(3) 10_554 . ?
S005 Au1 S005 174.2(5) . 10_554 ?
S004 Pt1 S004 174.5(7) . 16_556 ?
S004 Pt1 S005 89.2(4) 16_556 16_556 ?
S004 Pt1 S005 90.6(4) 16_556 . ?
S004 Pt1 S005 89.2(4) . . ?
S004 Pt1 S005 90.6(4) . 16_556 ?
S005 Pt1 S005 175.2(7) 16_556 . ?
Au1 Au2 Au1 93.08(8) . 7_546 ?
S004 Au2 Au1 95.1(3) . . ?
S004 Au2 Au1 95.1(3) 7_546 7_546 ?
S004 Au2 Au1 85.2(3) . 7_546 ?
S004 Au2 Au1 85.2(3) 7_546 . ?
S004 Au2 S004 179.6(7) 7_546 . ?
Au2 S004 Pt1 91.7(5) . . ?
C2 S004 Pt1 117(2) . . ?
C2 S004 Au2 103(2) . . ?
Au1 S005 Pt1 94.3(4) . . ?
C0AA S005 Au1 108.8(17) . . ?
C0AA S005 Pt1 111.6(15) . . ?
C14 C008 C3AA 120.0 . . ?
C14 C008 C2 116(5) . . ?
C3AA C008 C2 124(5) . . ?
C2AA C14 C008 120.0 . . ?
C14 C2AA C8 120.0 . . ?
C1AA C8 C2AA 120.0 . . ?
C8 C1AA C3AA 120.0 . . ?
C008 C3AA Cl00 119(4) . . ?
C1AA C3AA Cl00 121(4) . . ?
C1AA C3AA C008 120.0 . . ?
C00B C009 C1 120.0 . . ?
C00B C009 C0AA 120(3) . . ?
C1 C009 C0AA 120(3) . . ?
C13 C00B C009 120.0 . . ?
C9 C13 C00B 120.0 . . ?
C4 C9 C13 120.0 . . ?
C9 C4 C1 120.0 . . ?
C009 C1 Cl06 123(2) . . ?
C4 C1 Cl06 117(2) . . ?
C4 C1 C009 120.0 . . ?
C008 C2 S004 109(4) . . ?
C009 C0AA S005 101(3) . . ?

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 S004 C2 C008 -94(5) . . . . ?
Au2 S004 C2 C008 167(5) . . . . ?
C008 C14 C2AA C8 0.0 . . . . ?
C14 C008 C3AA Cl00 179(3) . . . . ?
C14 C008 C3AA C1AA 0.0 . . . . ?
C14 C008 C2 S004 93(4) . . . . ?
C14 C2AA C8 C1AA 0.0 . . . . ?
C2AA C8 C1AA C3AA 0.0 . . . . ?
C8 C1AA C3AA Cl00 -179(3) . . . . ?
C8 C1AA C3AA C008 0.0 . . . . ?
C3AA C008 C14 C2AA 0.0 . . . . ?
C3AA C008 C2 S004 -86(5) . . . . ?
C009 C00B C13 C9 0.0 . . . . ?
C00B C009 C1 Cl06 -179(3) . . . . ?
C00B C009 C1 C4 0.0 . . . . ?
C00B C009 C0AA S005 98(3) . . . . ?
C00B C13 C9 C4 0.0 . . . . ?
C13 C9 C4 C1 0.0 . . . . ?
C9 C4 C1 Cl06 179(3) . . . . ?
C9 C4 C1 C009 0.0 . . . . ?
C1 C009 C00B C13 0.0 . . . . ?
C1 C009 C0AA S005 -88(3) . . . . ?
C2 C008 C14 C2AA -179(4) . . . . ?
C2 C008 C3AA Cl00 -2(4) . . . . ?
C2 C008 C3AA C1AA 179(4) . . . . ?
C0AA C009 C00B C13 174(4) . . . . ?
C0AA C009 C1 Cl06 8(4) . . . . ?
C0AA C009 C1 C4 -174(4) . . . . ?

_shelx_SHELXL_version_number     2017/1
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Au4Pt2SCH2Ph(Me)3
_database_code_depnum_ccdc_archive 'CCDC 1956251'
loop_
_audit_author_name
_audit_author_address
'Sakiat Hossain'
;Tokyo university of science
Japan
;
_audit_update_record             
;
2019-09-27 deposited with the CCDC.	2019-12-23 downloaded from the CCDC.
;
_audit_creation_date             2019-09-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C80 H104 Au4 Pt2 S8'
_chemical_formula_sum            'C80 H104 Au4 Pt2 S8'
_chemical_formula_weight         2500.15
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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'
S S 0.1246 0.1234 '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                   12.5672(18)
_cell_length_b                   13.4332(19)
_cell_length_c                   14.366(2)
_cell_angle_alpha                110.0380(10)
_cell_angle_beta                 107.9820(10)
_cell_angle_gamma                103.3270(10)
_cell_volume                     2007.8(5)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9978
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.03
_cell_measurement_theta_min      2.53
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.999
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.456
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.068
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.910
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21672
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.910
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.083
_diffrn_reflns_theta_min         1.666
_diffrn_ambient_temperature      100
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.910
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8222
_reflns_number_total             8888
_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 V8.35A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.35A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.445
_refine_diff_density_min         -1.058
_refine_diff_density_rms         0.176
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         8888
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0238
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0271P)²+5.7847P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0638
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C26(H26A,H26B), C28(H28A,H28B), C35(H35A,H35B)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C10(H10), C14(H14), C16(H16), C21(H21), C23(H23), C31(H31), C32(H32)
2.c Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C20(H20A,H20B,H20C), C24(H24A,H24B,H24C), C27(H27A,H27B,
 H27C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C33(H33A,H33B,H33C), C34(H34A,
 H34B,H34C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C),
 C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Au1 Au 0.60476(2) 0.93399(2) 0.61212(2) 0.01717(5) Uani 1 1 d . . . . .
Pt1 Pt 0.50252(2) 0.85975(2) 0.34491(2) 0.01523(5) Uani 1 1 d . . . . .
Au2 Au 0.31847(2) 0.86745(2) 0.46197(2) 0.01711(5) Uani 1 1 d . . . . .
S1 S 0.31972(9) 0.99931(9) 0.61597(9) 0.0183(2) Uani 1 1 d . . . . .
S2 S 0.61155(9) 1.07353(9) 0.76438(9) 0.0185(2) Uani 1 1 d . . . . .
S3 S 0.32576(9) 0.72854(9) 0.31849(9) 0.0192(2) Uani 1 1 d . . . . .
S4 S 0.61448(9) 0.80356(9) 0.46430(9) 0.0184(2) Uani 1 1 d . . . . .
C1 C 0.6607(4) 0.6147(4) 0.5865(4) 0.0219(9) Uani 1 1 d . . . . .
C2 C 0.5957(4) 1.0638(4) 0.9482(4) 0.0205(9) Uani 1 1 d . . . . .
C3 C 0.6241(4) 0.6112(3) 0.4828(4) 0.0205(9) Uani 1 1 d . . . . .
C4 C 0.1261(4) 0.5603(4) 0.1404(4) 0.0216(9) Uani 1 1 d . . . . .
C5 C 0.6460(4) 1.2204(4) 1.1210(4) 0.0239(9) Uani 1 1 d . . . . .
H5 H 0.638571 1.289464 1.160472 0.029 Uiso 1 1 calc R . . . .
C6 C 0.6766(4) 0.5651(4) 0.4140(4) 0.0236(9) Uani 1 1 d . . . . .
C7 C 0.1071(4) 1.0044(4) 0.6261(4) 0.0191(8) Uani 1 1 d . . . . .
C8 C 0.0191(4) 0.5218(4) 0.1502(4) 0.0240(9) Uani 1 1 d . . . . .
C9 C 0.5838(4) 1.1645(4) 1.0080(4) 0.0234(9) Uani 1 1 d . . . . .
C10 C -0.0468(4) 0.8676(4) 0.6366(4) 0.0222(9) Uani 1 1 d . . . . .
H10 H -0.104670 0.792360 0.606086 0.027 Uiso 1 1 calc R . . . .
C11 C 0.5283(4) 1.0023(4) 0.8253(4) 0.0221(9) Uani 1 1 d . . . . .
H11A H 0.446109 1.003739 0.802975 0.027 Uiso 1 1 calc R . . . .
H11B H 0.520801 0.921453 0.798660 0.027 Uiso 1 1 calc R . . . .
C12 C 0.6712(4) 1.0211(4) 1.0047(4) 0.0215(9) Uani 1 1 d . . . . .
C13 C 0.1717(4) 0.4811(4) 0.0905(4) 0.0255(9) Uani 1 1 d . . . . .
C14 C -0.0411(4) 0.4041(4) 0.1098(4) 0.0266(10) Uani 1 1 d . . . . .
H14 H -0.114446 0.377655 0.115824 0.032 Uiso 1 1 calc R . . . .
C15 C 0.0048(4) 0.7995(4) 0.4769(4) 0.0248(9) Uani 1 1 d . . . . .
H15A H -0.018724 0.821955 0.417814 0.037 Uiso 1 1 calc GR . . . .
H15B H -0.058479 0.728480 0.458472 0.037 Uiso 1 1 calc GR . . . .
H15C H 0.080723 0.787573 0.486277 0.037 Uiso 1 1 calc GR . . . .
C16 C 0.7477(4) 0.5699(4) 0.6193(4) 0.0243(9) Uani 1 1 d . . . . .
H16 H 0.771935 0.571498 0.689510 0.029 Uiso 1 1 calc R . . . .
C17 C 0.0215(4) 0.8925(4) 0.5816(4) 0.0205(9) Uani 1 1 d . . . . .
C18 C 0.1231(4) 1.0879(4) 0.7256(4) 0.0224(9) Uani 1 1 d . . . . .
C19 C -0.0326(4) 0.9495(4) 0.7347(4) 0.0240(9) Uani 1 1 d . . . . .
C20 C 0.6081(5) 0.6660(4) 0.6643(4) 0.0290(10) Uani 1 1 d . . . . .
H20A H 0.623055 0.745824 0.678562 0.044 Uiso 1 1 calc GR . . . .
H20B H 0.646365 0.662649 0.733226 0.044 Uiso 1 1 calc GR . . . .
H20C H 0.520946 0.622584 0.631338 0.044 Uiso 1 1 calc GR . . . .
C21 C 0.7309(4) 1.0781(4) 1.1186(4) 0.0243(9) Uani 1 1 d . . . . .
H21 H 0.780566 1.047991 1.156283 0.029 Uiso 1 1 calc R . . . .
C22 C 0.7994(4) 0.5229(4) 0.5511(4) 0.0256(10) Uani 1 1 d . . . . .
C23 C 0.1088(4) 0.3657(4) 0.0530(4) 0.0267(10) Uani 1 1 d . . . . .
H23 H 0.139992 0.312241 0.020298 0.032 Uiso 1 1 calc R . . . .
C24 C -0.0324(5) 0.6035(5) 0.2041(4) 0.0339(11) Uani 1 1 d . . . . .
H24A H 0.028860 0.659543 0.277548 0.051 Uiso 1 1 calc GR . . . .
H24B H -0.103041 0.560740 0.209339 0.051 Uiso 1 1 calc GR . . . .
H24C H -0.056457 0.643289 0.160255 0.051 Uiso 1 1 calc GR . . . .
C25 C 0.7193(4) 1.1779(4) 1.1783(4) 0.0239(9) Uani 1 1 d . . . . .
C26 C 0.5315(4) 0.6588(4) 0.4444(4) 0.0237(9) Uani 1 1 d . . . . .
H26A H 0.482928 0.663684 0.487322 0.028 Uiso 1 1 calc R . . . .
H26B H 0.476514 0.608926 0.366225 0.028 Uiso 1 1 calc R . . . .
C27 C 0.8914(5) 0.4723(5) 0.5863(4) 0.0336(11) Uani 1 1 d . . . . .
H27A H 0.957252 0.528974 0.657293 0.050 Uiso 1 1 calc GR . . . .
H27B H 0.923877 0.450932 0.531783 0.050 Uiso 1 1 calc GR . . . .
H27C H 0.852629 0.404305 0.592706 0.050 Uiso 1 1 calc GR . . . .
C28 C 0.1828(4) 1.0318(4) 0.5685(4) 0.0213(9) Uani 1 1 d . . . . .
H28A H 0.206228 1.113602 0.585033 0.026 Uiso 1 1 calc R . . . .
H28B H 0.136096 0.985386 0.488370 0.026 Uiso 1 1 calc R . . . .
C29 C 0.6898(5) 0.9146(4) 0.9439(4) 0.0297(10) Uani 1 1 d . . . . .
H29A H 0.613219 0.848640 0.906395 0.045 Uiso 1 1 calc GR . . . .
H29B H 0.750092 0.901829 0.995915 0.045 Uiso 1 1 calc GR . . . .
H29C H 0.718015 0.924227 0.889957 0.045 Uiso 1 1 calc GR . . . .
C30 C 0.6384(5) 0.5576(4) 0.2999(4) 0.0301(10) Uani 1 1 d . . . . .
H30A H 0.555314 0.502263 0.253365 0.045 Uiso 1 1 calc GR . . . .
H30B H 0.692346 0.532795 0.268665 0.045 Uiso 1 1 calc GR . . . .
H30C H 0.642968 0.632875 0.303922 0.045 Uiso 1 1 calc GR . . . .
C31 C 0.0529(4) 1.0601(4) 0.7782(4) 0.0243(9) Uani 1 1 d . . . . .
H31 H 0.063166 1.117452 0.844990 0.029 Uiso 1 1 calc R . . . .
C32 C 0.7640(4) 0.5221(4) 0.4495(4) 0.0246(9) Uani 1 1 d . . . . .
H32 H 0.799925 0.491680 0.402991 0.029 Uiso 1 1 calc R . . . .
C33 C 0.5016(5) 1.2124(4) 0.9501(4) 0.0288(10) Uani 1 1 d . . . . .
H33A H 0.523314 1.221693 0.892825 0.043 Uiso 1 1 calc GR . . . .
H33B H 0.511017 1.286784 1.003065 0.043 Uiso 1 1 calc GR . . . .
H33C H 0.417450 1.159510 0.917032 0.043 Uiso 1 1 calc GR . . . .
C34 C 0.2175(4) 1.2081(4) 0.7787(4) 0.0280(10) Uani 1 1 d . . . . .
H34A H 0.292136 1.203944 0.772683 0.042 Uiso 1 1 calc GR . . . .
H34B H 0.233838 1.246141 0.856067 0.042 Uiso 1 1 calc GR . . . .
H34C H 0.187521 1.251666 0.741600 0.042 Uiso 1 1 calc GR . . . .
C35 C 0.1967(4) 0.6863(4) 0.1867(4) 0.0248(9) Uani 1 1 d . . . . .
H35A H 0.144913 0.730070 0.199383 0.030 Uiso 1 1 calc R . . . .
H35B H 0.226902 0.701956 0.135160 0.030 Uiso 1 1 calc R . . . .
C36 C 0.0022(4) 0.3252(4) 0.0615(4) 0.0285(10) Uani 1 1 d . . . . .
C37 C 0.7852(5) 1.2391(4) 1.3006(4) 0.0329(11) Uani 1 1 d . . . . .
H37A H 0.864883 1.294313 1.321844 0.049 Uiso 1 1 calc GR . . . .
H37B H 0.794824 1.183526 1.329151 0.049 Uiso 1 1 calc GR . . . .
H37C H 0.738923 1.279456 1.330861 0.049 Uiso 1 1 calc GR . . . .
C38 C -0.1062(5) 0.9213(5) 0.7937(5) 0.0324(11) Uani 1 1 d . . . . .
H38A H -0.177197 0.941463 0.773502 0.049 Uiso 1 1 calc GR . . . .
H38B H -0.057034 0.964701 0.872831 0.049 Uiso 1 1 calc GR . . . .
H38C H -0.132239 0.839206 0.773167 0.049 Uiso 1 1 calc GR . . . .
C39 C -0.0634(5) 0.1991(4) 0.0188(5) 0.0404(13) Uani 1 1 d . . . . .
H39A H -0.096845 0.185876 0.068727 0.061 Uiso 1 1 calc GR . . . .
H39B H -0.007024 0.159966 0.013795 0.061 Uiso 1 1 calc GR . . . .
H39C H -0.129093 0.169121 -0.053838 0.061 Uiso 1 1 calc GR . . . .
C40 C 0.2853(4) 0.5204(5) 0.0754(5) 0.0349(12) Uani 1 1 d . . . . .
H40A H 0.272335 0.557427 0.027028 0.052 Uiso 1 1 calc GR . . . .
H40B H 0.305205 0.454303 0.042736 0.052 Uiso 1 1 calc GR . . . .
H40C H 0.352074 0.574990 0.146599 0.052 Uiso 1 1 calc GR . . . .


_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 Pt1 3.3075(4) 2_676 ?
Au1 Au2 3.2865(5) . ?
Au1 Au2 3.2513(4) 2_676 ?
Au1 S2 2.3036(11) . ?
Au1 S4 2.3029(11) . ?
Pt1 Au2 3.2529(4) . ?
Pt1 S1 2.3316(11) 2_676 ?
Pt1 S2 2.3432(10) 2_676 ?
Pt1 S3 2.3240(11) . ?
Pt1 S4 2.3190(10) . ?
Au2 S1 2.3049(11) . ?
Au2 S3 2.3020(11) . ?
S1 C28 1.855(4) . ?
S2 C11 1.858(4) . ?
S3 C35 1.865(4) . ?
S4 C26 1.858(4) . ?
C1 C3 1.397(6) . ?
C1 C16 1.400(6) . ?
C1 C20 1.516(6) . ?
C2 C9 1.403(6) . ?
C2 C11 1.508(6) . ?
C2 C12 1.407(6) . ?
C3 C6 1.402(6) . ?
C3 C26 1.502(6) . ?
C4 C8 1.393(6) . ?
C4 C13 1.409(6) . ?
C4 C35 1.505(6) . ?
C5 H5 0.9500 . ?
C5 C9 1.385(6) . ?
C5 C25 1.396(6) . ?
C6 C30 1.519(7) . ?
C6 C32 1.396(6) . ?
C7 C17 1.413(6) . ?
C7 C18 1.400(6) . ?
C7 C28 1.504(6) . ?
C8 C14 1.400(7) . ?
C8 C24 1.509(7) . ?
C9 C33 1.521(6) . ?
C10 H10 0.9500 . ?
C10 C17 1.395(6) . ?
C10 C19 1.385(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C21 1.395(6) . ?
C12 C29 1.513(6) . ?
C13 C23 1.386(6) . ?
C13 C40 1.513(6) . ?
C14 H14 0.9500 . ?
C14 C36 1.376(7) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15 C17 1.504(6) . ?
C16 H16 0.9500 . ?
C16 C22 1.392(7) . ?
C18 C31 1.393(6) . ?
C18 C34 1.520(6) . ?
C19 C31 1.402(7) . ?
C19 C38 1.503(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21 0.9500 . ?
C21 C25 1.391(7) . ?
C22 C27 1.513(6) . ?
C22 C32 1.383(7) . ?
C23 H23 0.9500 . ?
C23 C36 1.384(7) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C37 1.500(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C39 1.503(7) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au2 Au1 Pt1 62.096(8) . 2_676 ?
Au2 Au1 Pt1 59.459(9) 2_676 2_676 ?
Au2 Au1 Au2 90.231(8) 2_676 . ?
S2 Au1 Pt1 45.10(3) . 2_676 ?
S2 Au1 Au2 87.36(3) . 2_676 ?
S2 Au1 Au2 94.45(3) . . ?
S4 Au1 Pt1 135.94(3) . 2_676 ?
S4 Au1 Au2 89.57(3) . . ?
S4 Au1 Au2 90.05(3) . 2_676 ?
S4 Au1 S2 175.22(4) . . ?
Au2 Pt1 Au1 59.411(6) . 2_676 ?
S1 Pt1 Au1 85.41(3) 2_676 2_676 ?
S1 Pt1 Au2 130.63(3) 2_676 . ?
S1 Pt1 S2 90.49(4) 2_676 2_676 ?
S2 Pt1 Au1 44.14(3) 2_676 2_676 ?
S2 Pt1 Au2 86.67(3) 2_676 . ?
S3 Pt1 Au1 91.89(3) . 2_676 ?
S3 Pt1 Au2 45.04(3) . . ?
S3 Pt1 S1 175.60(4) . 2_676 ?
S3 Pt1 S2 89.99(4) . 2_676 ?
S4 Pt1 Au1 131.53(3) . 2_676 ?
S4 Pt1 Au2 90.12(3) . . ?
S4 Pt1 S1 89.38(4) . 2_676 ?
S4 Pt1 S2 175.65(4) . 2_676 ?
S4 Pt1 S3 89.81(4) . . ?
Au1 Au2 Au1 89.770(8) 2_676 . ?
Au1 Au2 Pt1 61.130(7) 2_676 . ?
Pt1 Au2 Au1 61.323(12) . . ?
S1 Au2 Au1 90.37(3) . 2_676 ?
S1 Au2 Au1 86.33(3) . . ?
S1 Au2 Pt1 134.81(3) . . ?
S3 Au2 Au1 90.13(3) . . ?
S3 Au2 Au1 93.75(3) . 2_676 ?
S3 Au2 Pt1 45.59(3) . . ?
S3 Au2 S1 174.56(4) . . ?
Au2 S1 Pt1 94.36(4) . 2_676 ?
C28 S1 Pt1 113.83(14) . 2_676 ?
C28 S1 Au2 106.28(16) . . ?
Au1 S2 Pt1 90.76(4) . 2_676 ?
C11 S2 Au1 108.25(15) . . ?
C11 S2 Pt1 113.50(15) . 2_676 ?
Au2 S3 Pt1 89.36(4) . . ?
C35 S3 Pt1 112.60(15) . . ?
C35 S3 Au2 110.99(16) . . ?
Au1 S4 Pt1 92.37(4) . . ?
C26 S4 Au1 107.14(16) . . ?
C26 S4 Pt1 113.32(15) . . ?
C3 C1 C16 119.4(4) . . ?
C3 C1 C20 121.4(4) . . ?
C16 C1 C20 119.2(4) . . ?
C9 C2 C11 120.3(4) . . ?
C9 C2 C12 119.1(4) . . ?
C12 C2 C11 120.6(4) . . ?
C1 C3 C6 119.7(4) . . ?
C1 C3 C26 121.1(4) . . ?
C6 C3 C26 119.2(4) . . ?
C8 C4 C13 120.0(4) . . ?
C8 C4 C35 120.7(4) . . ?
C13 C4 C35 119.3(4) . . ?
C9 C5 H5 119.2 . . ?
C9 C5 C25 121.7(4) . . ?
C25 C5 H5 119.2 . . ?
C3 C6 C30 121.7(4) . . ?
C32 C6 C3 119.6(4) . . ?
C32 C6 C30 118.7(4) . . ?
C17 C7 C28 119.8(4) . . ?
C18 C7 C17 119.5(4) . . ?
C18 C7 C28 120.7(4) . . ?
C4 C8 C14 118.8(4) . . ?
C4 C8 C24 121.8(4) . . ?
C14 C8 C24 119.4(4) . . ?
C2 C9 C33 120.6(4) . . ?
C5 C9 C2 119.9(4) . . ?
C5 C9 C33 119.5(4) . . ?
C17 C10 H10 119.1 . . ?
C19 C10 H10 119.1 . . ?
C19 C10 C17 121.8(4) . . ?
S2 C11 H11A 109.8 . . ?
S2 C11 H11B 109.8 . . ?
C2 C11 S2 109.4(3) . . ?
C2 C11 H11A 109.8 . . ?
C2 C11 H11B 109.8 . . ?
H11A C11 H11B 108.2 . . ?
C2 C12 C29 121.1(4) . . ?
C21 C12 C2 119.8(4) . . ?
C21 C12 C29 119.1(4) . . ?
C4 C13 C40 121.0(4) . . ?
C23 C13 C4 118.7(4) . . ?
C23 C13 C40 120.3(4) . . ?
C8 C14 H14 118.9 . . ?
C36 C14 C8 122.3(4) . . ?
C36 C14 H14 118.9 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C15 H15A 109.5 . . ?
C17 C15 H15B 109.5 . . ?
C17 C15 H15C 109.5 . . ?
C1 C16 H16 119.3 . . ?
C22 C16 C1 121.3(4) . . ?
C22 C16 H16 119.3 . . ?
C7 C17 C15 121.0(4) . . ?
C10 C17 C7 119.4(4) . . ?
C10 C17 C15 119.6(4) . . ?
C7 C18 C34 121.2(4) . . ?
C31 C18 C7 119.6(4) . . ?
C31 C18 C34 119.2(4) . . ?
C10 C19 C31 118.2(4) . . ?
C10 C19 C38 121.3(4) . . ?
C31 C19 C38 120.5(4) . . ?
C1 C20 H20A 109.5 . . ?
C1 C20 H20B 109.5 . . ?
C1 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C12 C21 H21 119.3 . . ?
C25 C21 C12 121.4(4) . . ?
C25 C21 H21 119.3 . . ?
C16 C22 C27 120.9(4) . . ?
C32 C22 C16 118.6(4) . . ?
C32 C22 C27 120.4(4) . . ?
C13 C23 H23 118.8 . . ?
C36 C23 C13 122.5(4) . . ?
C36 C23 H23 118.8 . . ?
C8 C24 H24A 109.5 . . ?
C8 C24 H24B 109.5 . . ?
C8 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C5 C25 C37 120.9(4) . . ?
C21 C25 C5 118.2(4) . . ?
C21 C25 C37 120.9(4) . . ?
S4 C26 H26A 110.3 . . ?
S4 C26 H26B 110.3 . . ?
C3 C26 S4 107.2(3) . . ?
C3 C26 H26A 110.3 . . ?
C3 C26 H26B 110.3 . . ?
H26A C26 H26B 108.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
S1 C28 H28A 110.0 . . ?
S1 C28 H28B 110.0 . . ?
C7 C28 S1 108.6(3) . . ?
C7 C28 H28A 110.0 . . ?
C7 C28 H28B 110.0 . . ?
H28A C28 H28B 108.3 . . ?
C12 C29 H29A 109.5 . . ?
C12 C29 H29B 109.5 . . ?
C12 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C6 C30 H30A 109.5 . . ?
C6 C30 H30B 109.5 . . ?
C6 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C18 C31 C19 121.5(4) . . ?
C18 C31 H31 119.2 . . ?
C19 C31 H31 119.2 . . ?
C6 C32 H32 119.3 . . ?
C22 C32 C6 121.4(4) . . ?
C22 C32 H32 119.3 . . ?
C9 C33 H33A 109.5 . . ?
C9 C33 H33B 109.5 . . ?
C9 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C18 C34 H34A 109.5 . . ?
C18 C34 H34B 109.5 . . ?
C18 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
S3 C35 H35A 110.3 . . ?
S3 C35 H35B 110.3 . . ?
C4 C35 S3 107.3(3) . . ?
C4 C35 H35A 110.3 . . ?
C4 C35 H35B 110.3 . . ?
H35A C35 H35B 108.5 . . ?
C14 C36 C23 117.8(4) . . ?
C14 C36 C39 121.6(5) . . ?
C23 C36 C39 120.5(5) . . ?
C25 C37 H37A 109.5 . . ?
C25 C37 H37B 109.5 . . ?
C25 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C19 C38 H38A 109.5 . . ?
C19 C38 H38B 109.5 . . ?
C19 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C13 C40 H40A 109.5 . . ?
C13 C40 H40B 109.5 . . ?
C13 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 S2 C11 C2 139.6(3) . . . . ?
Au1 S4 C26 C3 -106.3(3) . . . . ?
Pt1 S1 C28 C7 -135.6(3) 2_676 . . . ?
Pt1 S2 C11 C2 -121.3(3) 2_676 . . . ?
Pt1 S3 C35 C4 141.1(3) . . . . ?
Pt1 S4 C26 C3 153.3(3) . . . . ?
Au2 S1 C28 C7 122.0(3) . . . . ?
Au2 S3 C35 C4 -120.5(3) . . . . ?
C1 C3 C6 C30 179.0(4) . . . . ?
C1 C3 C6 C32 0.6(6) . . . . ?
C1 C3 C26 S4 99.2(4) . . . . ?
C1 C16 C22 C27 -178.7(4) . . . . ?
C1 C16 C22 C32 0.6(7) . . . . ?
C2 C12 C21 C25 -1.2(7) . . . . ?
C3 C1 C16 C22 0.7(7) . . . . ?
C3 C6 C32 C22 0.7(7) . . . . ?
C4 C8 C14 C36 0.5(7) . . . . ?
C4 C13 C23 C36 0.9(7) . . . . ?
C6 C3 C26 S4 -79.2(4) . . . . ?
C7 C18 C31 C19 1.0(6) . . . . ?
C8 C4 C13 C23 -0.7(7) . . . . ?
C8 C4 C13 C40 177.9(4) . . . . ?
C8 C4 C35 S3 101.4(4) . . . . ?
C8 C14 C36 C23 -0.4(7) . . . . ?
C8 C14 C36 C39 179.8(5) . . . . ?
C9 C2 C11 S2 80.9(4) . . . . ?
C9 C2 C12 C21 1.2(6) . . . . ?
C9 C2 C12 C29 -178.4(4) . . . . ?
C9 C5 C25 C21 1.4(7) . . . . ?
C9 C5 C25 C37 -179.5(4) . . . . ?
C10 C19 C31 C18 -0.6(6) . . . . ?
C11 C2 C9 C5 180.0(4) . . . . ?
C11 C2 C9 C33 0.8(6) . . . . ?
C11 C2 C12 C21 -178.7(4) . . . . ?
C11 C2 C12 C29 1.7(6) . . . . ?
C12 C2 C9 C5 0.0(6) . . . . ?
C12 C2 C9 C33 -179.1(4) . . . . ?
C12 C2 C11 S2 -99.2(4) . . . . ?
C12 C21 C25 C5 -0.1(7) . . . . ?
C12 C21 C25 C37 -179.2(4) . . . . ?
C13 C4 C8 C14 0.0(7) . . . . ?
C13 C4 C8 C24 179.4(4) . . . . ?
C13 C4 C35 S3 -76.1(5) . . . . ?
C13 C23 C36 C14 -0.3(7) . . . . ?
C13 C23 C36 C39 179.5(5) . . . . ?
C16 C1 C3 C6 -1.3(6) . . . . ?
C16 C1 C3 C26 -179.7(4) . . . . ?
C16 C22 C32 C6 -1.3(7) . . . . ?
C17 C7 C18 C31 -1.2(6) . . . . ?
C17 C7 C18 C34 177.6(4) . . . . ?
C17 C7 C28 S1 -87.5(4) . . . . ?
C17 C10 C19 C31 0.3(6) . . . . ?
C17 C10 C19 C38 -179.5(4) . . . . ?
C18 C7 C17 C10 0.9(6) . . . . ?
C18 C7 C17 C15 -177.9(4) . . . . ?
C18 C7 C28 S1 90.6(4) . . . . ?
C19 C10 C17 C7 -0.5(6) . . . . ?
C19 C10 C17 C15 178.3(4) . . . . ?
C20 C1 C3 C6 178.8(4) . . . . ?
C20 C1 C3 C26 0.4(6) . . . . ?
C20 C1 C16 C22 -179.4(4) . . . . ?
C24 C8 C14 C36 -178.8(5) . . . . ?
C25 C5 C9 C2 -1.4(7) . . . . ?
C25 C5 C9 C33 177.8(4) . . . . ?
C26 C3 C6 C30 -2.6(6) . . . . ?
C26 C3 C6 C32 179.1(4) . . . . ?
C27 C22 C32 C6 178.0(4) . . . . ?
C28 C7 C17 C10 178.9(4) . . . . ?
C28 C7 C17 C15 0.1(6) . . . . ?
C28 C7 C18 C31 -179.2(4) . . . . ?
C28 C7 C18 C34 -0.4(6) . . . . ?
C29 C12 C21 C25 178.4(4) . . . . ?
C30 C6 C32 C22 -177.8(4) . . . . ?
C34 C18 C31 C19 -177.7(4) . . . . ?
C35 C4 C8 C14 -177.5(4) . . . . ?
C35 C4 C8 C24 1.9(7) . . . . ?
C35 C4 C13 C23 176.8(4) . . . . ?
C35 C4 C13 C40 -4.6(7) . . . . ?
C38 C19 C31 C18 179.3(4) . . . . ?
C40 C13 C23 C36 -177.7(5) . . . . ?

_shelx_SHELXL_version_number     2017/1
_olex2_submission_special_instructions 'No special instructions were received'
