# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_Au24Pt(TBBT)18
_database_code_depnum_ccdc_archive 'CCDC 1944945'
loop_
_audit_author_name
_audit_author_address
'Sakiat Hossain'
;Tokyo university of science
Japan
;
_audit_update_record             
;
2019-08-10 deposited with the CCDC.	2019-10-16 downloaded from the CCDC.
;
_audit_creation_date             2018-10-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '1(C180 H72 Au24 Pt1 S18)'
_chemical_formula_sum            'C180 H234 Au24 Pt S18'
_chemical_formula_weight         7733.58
_chemical_melting_point          ?
_chemical_oxdiff_formula         Au24PtS18C180H234
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   26.9072(2)
_cell_length_b                   26.9072(2)
_cell_length_c                   24.2457(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     15202.1(3)
_cell_formula_units_Z            3.00006
_cell_measurement_reflns_used    73312
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      73.2940
_cell_measurement_theta_min      2.6450
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    35.022
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52777
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.20a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.534
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             10242
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.6
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0720
_diffrn_reflns_av_unetI/netI     0.0183
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            117032
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.602
_diffrn_reflns_theta_min         2.630
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -33.00  27.00   0.50    2.01    --    0.00 -38.00-120.00  120
  2  ω    -26.00  12.00   0.50    2.01    --    0.00  77.00  90.00   76
  3  ω    -34.00  25.00   0.50    2.01    --    0.00  77.00  30.00  118
  4  ω     20.00  47.00   0.50    2.01    --    0.00  38.00 -60.00   54
  5  ω     47.00  83.00   0.50    2.01    --    0.00  77.00  30.00   72
  6  ω     58.00  88.00   0.50    2.01    --    0.00  38.00 -60.00   60
  7  ω     -7.00  19.00   0.50    2.01    --    0.00 -38.00  30.00   52
  8  ω    -88.00 -18.00   0.50    2.01    --    0.00 -38.00  30.00  140
  9  ω    -87.00 -47.00   0.50    2.01    --    0.00 -38.00-120.00   80
 10  ω     22.00  86.00   0.50    2.01    --    0.00  77.00  90.00  128
 11  ω    -22.00  67.00   0.50    2.01    --    0.00  57.00-180.00  178
 12  ω    -15.00  44.00   0.50    2.01    --   18.00 -53.00 -12.71  118
 13  ω    -71.00 -31.00   0.50    2.01    --   18.00 -53.00 -12.71   80
 14  ω    -67.00 -24.00   0.50    2.01    --   22.00 -51.00 155.14   86
 15  ω      4.00  49.00   0.50    2.01    --   22.00 -51.00 155.14   90
 16  ω     69.00  94.00   0.50   10.00    --   98.20  61.00  90.00   50
 17  ω    156.00 186.00   0.50   10.00    --   98.20  82.00   0.00   60
 18  ω    155.00 188.00   0.50   10.00    --   98.20  82.00-150.00   66
 19  ω     63.00  88.00   0.50   10.00    --   98.20  82.00   0.00   50
 20  ω     69.00  95.00   0.50   10.00    --   98.20  61.00  60.00   52
 21  ω     64.00  89.00   0.50   10.00    --   98.20  77.00-120.00   50
 22  ω     63.00  89.00   0.50   10.00    --   98.20  82.00-150.00   52
 23  ω     64.00  89.00   0.50   10.00    --   98.20  77.00-150.00   50
 24  ω    132.00 184.00   0.50   10.00    --   98.20  61.00  60.00  104
 25  ω     63.00  91.00   0.50   10.00    --   98.20  82.00 -90.00   56
 26  ω     72.00 188.00   0.50   10.00    --   98.20  45.00   0.00  232
 27  ω     64.00  97.00   0.50   10.00    --   98.20  77.00  90.00   66
 28  ω    163.00 188.00   0.50   10.00    --   98.20  77.00  90.00   50
 29  ω     64.00  89.00   0.50   10.00    --   98.20  77.00  60.00   50
 30  ω     72.00 188.00   0.50   10.00    --   98.20  45.00 -30.00  232
 31  ω     62.00  89.00   0.50   10.00    --   98.20  82.00 -30.00   54
 32  ω     62.00  87.00   0.50   10.00    --   98.20  82.00-180.00   50
 33  ω    156.00 185.00   0.50   10.00    --   98.20  82.00 150.00   58
 34  ω     61.00 129.00   0.50   10.00    --   98.20 -82.00  60.00  136
 35  ω     10.00  36.00   0.50   10.00    --   98.20 -82.00  60.00   52
 36  ω     62.00  87.00   0.50   10.00    --   98.20  82.00 150.00   50
 37  ω     64.00  89.00   0.50   10.00    --   98.20  77.00  30.00   50
 38  ω    152.00 187.00   0.50   10.00    --   98.20  61.00 -90.00   70
 39  ω      9.00  36.00   0.50   10.00    --   98.20 -82.00 -90.00   54
 40  ω     64.00  89.00   0.50   10.00    --   98.20  77.00 150.00   50
 41  ω     64.00  89.00   0.50   10.00    --   98.20  77.00   0.00   50
 42  ω     64.00  89.00   0.50   10.00    --   98.20  77.00-180.00   50
 43  ω     64.00 118.00   0.50   10.00    --   98.20  77.00 -90.00  108
 44  ω    151.00 188.00   0.50   10.00    --   98.20  77.00 -90.00   74
 45  ω     64.00  89.00   0.50   10.00    --   98.20  77.00 -60.00   50
 46  ω     62.00  87.00   0.50   10.00    --   98.20  82.00  90.00   50
 47  ω     40.00 132.00   0.50   10.00    --   98.20 -82.00-150.00  184
 48  ω     64.00  89.00   0.50   10.00    --   98.20  77.00 -30.00   50
 49  ω     69.00 110.00   0.50   10.00    --   98.20  61.00  30.00   82
 50  ω    146.00 188.00   0.50   10.00    --   98.20  61.00  30.00   84
 51  ω     72.00 101.00   0.50   10.00    --   98.20  45.00 -90.00   58
 52  ω    119.00 178.00   0.50   10.00    --   98.20  45.00 -90.00  118
 53  ω     62.00  87.00   0.50   10.00    --   98.20  82.00  30.00   50
 54  ω     73.00 187.00   0.50   10.00    --   98.20  45.00  90.00  228
 55  ω     62.00  87.00   0.50   10.00    --   98.20  82.00-120.00   50
 56  ω     62.00  88.00   0.50   10.00    --   98.20  82.00  60.00   52
 57  ω    162.00 187.00   0.50   10.00    --   98.20  82.00  60.00   50
 58  ω     41.00 127.00   0.50   10.00    --   98.20 -82.00   0.00  172
 59  ω     72.00 188.00   0.50   10.00    --   98.20  45.00 120.00  232
 60  ω     69.00  96.00   0.50   10.00    --   98.20  61.00-150.00   54
 61  ω    120.00 178.00   0.50   10.00    --   98.20  61.00-150.00  116
 62  ω     62.00  92.00   0.50   10.00    --   98.20  82.00 120.00   60
 63  ω     69.00  99.00   0.50   10.00    --   98.20  61.00 -90.00   60
 64  ω     72.00 113.00   0.50   10.00    --   98.20  45.00-180.00   82
 65  ω    150.00 178.00   0.50   10.00    --   98.20  82.00 -60.00   56
 66  ω    162.00 188.00   0.50   10.00    --   98.20  61.00-120.00   52
 67  ω     69.00  95.00   0.50   10.00    --   98.20  61.00-120.00   52
 68  ω    130.00 187.00   0.50   10.00    --   98.20  45.00 150.00  114
 69  ω     72.00  98.00   0.50   10.00    --   98.20  45.00 150.00   52
 70  ω    125.00 160.00   0.50   10.00    --   98.20  45.00  30.00   70
 71  ω    160.00 187.00   0.50   10.00    --   98.20  61.00-180.00   54
 72  ω     69.00 114.00   0.50   10.00    --   98.20  61.00-180.00   90
 73  ω    125.00 167.00   0.50   10.00    --   98.20  45.00-180.00   84
 74  ω     60.00 119.00   0.50   10.00    --   98.20 -82.00 150.00  118
 75  ω     74.00 104.00   0.50   10.00    --   98.20  45.00-120.00   60
 76  ω    109.00 187.00   0.50   10.00    --   98.20  45.00-120.00  156
 77  ω     72.00  99.00   0.50   10.00    --   98.20  45.00  30.00   54
 78  ω     64.00  89.00   0.50   10.00    --   98.20  77.00 120.00   50
 79  ω    160.00 187.00   0.50   10.00    --   98.20  61.00  90.00   54
 80  ω     67.00 125.00   0.50   10.00    --   98.20 -82.00 -90.00  116
 81  ω     62.00  96.00   0.50   10.00    --   98.20  82.00 -60.00   68
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0468488000
_diffrn_orient_matrix_UB_12      0.0292337000
_diffrn_orient_matrix_UB_13      0.0443669000
_diffrn_orient_matrix_UB_21      -0.0458228000
_diffrn_orient_matrix_UB_22      -0.0066117000
_diffrn_orient_matrix_UB_23      0.0420884000
_diffrn_orient_matrix_UB_31      -0.0086966000
_diffrn_orient_matrix_UB_32      -0.0589229000
_diffrn_orient_matrix_UB_33      0.0172772000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6280
_reflns_number_total             6802
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.20a (Rigaku OD, 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    SIR-92
_refine_diff_density_max         1.429
_refine_diff_density_min         -2.026
_refine_diff_density_rms         0.246
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     384
_refine_ls_number_reflns         6802
_refine_ls_number_restraints     630
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0427
_refine_ls_restrained_S_all      1.027
_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)+(0.0634P)²+387.1036P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1255
_refine_ls_wR_factor_ref         0.1271
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C31-C32 \\sim C31-C33 \\sim C32-C33 \\sim C33A-C32A \\sim C33A-C31A \\sim
C32A-C31A
 with sigma of 0.04
 C1-C00G \\sim C1-C31 \\sim C1-C32 \\sim C1-C33 \\sim C1-C33A \\sim C1-C32A
\\sim C1-C31A
 with sigma of 0.02
 C17-C21 \\sim C17-C22 \\sim C21-C22 \\sim C17A-C21A \\sim C17A-C22A \\sim
C21A-C22A
 with sigma of 0.04
 C15-C00C \\sim C15-C17 \\sim C15-C21 \\sim C15-C22 \\sim C15-C17A \\sim
C15-C21A \\sim C15-C22A
 with sigma of 0.02
 C27-C30 \\sim C27-C29 \\sim C30-C29 \\sim C30A-C29A \\sim C30A-C27A \\sim
C29A-C27A
 with sigma of 0.04
 C28-C00J \\sim C28-C27 \\sim C28-C30 \\sim C28-C29 \\sim C28-C30A \\sim
C28-C29A \\sim C28-C27A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C009 \\sim C8 \\sim C00I \\sim C00C \\sim C9 \\sim C11 \\sim C00A \\sim C00E
\\sim C00D \\sim C00J \\sim C26 \\sim C25 \\sim C00B \\sim C00H \\sim C4 \\sim
C00G \\sim C6 \\sim C00F \\sim C27 \\sim C28 \\sim C30 \\sim C15 \\sim C17
\\sim C29 \\sim C21 \\sim C22: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.08
C31 \\sim C1 \\sim C33 \\sim C32: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08
C1 \\sim C31 \\sim C32A \\sim C32 \\sim C33A \\sim C33 \\sim C31A: within 1.7A
with sigma of 0.04 and sigma for terminal atoms of 0.08
C15 \\sim C22 \\sim C22A \\sim C17A \\sim C17 \\sim C21 \\sim C21A: within 1.7A
with sigma of 0.04 and sigma for terminal atoms of 0.08
C29 \\sim C27A \\sim C27 \\sim C28 \\sim C29A \\sim C30 \\sim C30A: within 1.7A
with sigma of 0.04 and sigma for terminal atoms of 0.08
4. Rigid body (RIGU) restrains
 C009, C8, C00I, C00C, C9, C11, C00A, C00E, C00D, C00J, C26, C25, C00B, C00H,
 C4, C00G, C6, C00F, C27, C28, C30, C15, C17, C29, C21, C22
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C33, C1, C31, C32
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1, C31, C32A, C32, C33A, C33, C31A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C21, C15, C21A, C17, C17A, C22, C22A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C33A)=Sof(C32A)=Sof(C31A)=1-FVAR(1)
 Sof(C31)=Sof(C32)=Sof(C33)=FVAR(1)
 Sof(C17A)=Sof(C21A)=Sof(C22A)=1-FVAR(2)
 Sof(C17)=Sof(C21)=Sof(C22)=FVAR(2)
 Sof(C30A)=Sof(C29A)=Sof(C27A)=1-FVAR(3)
 Sof(C27)=Sof(C30)=Sof(C29)=FVAR(3)
6.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C00I(H00I), C9(H9), C11(H11), C00E(H00E), C00D(H00D), C26(H26),
 C25(H25), C00H(H00H), C4(H4), C6(H6), C00F(H00F)
6.b Fitted hexagon refined as free rotating group:
 C009(C8,C00I,C00C,C9,C11), C00A(C00E,C00D,C00J,C26,C25), C00B(C00H,C4,C00G,C6,
 C00F)
;
_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 0.333333 0.666667 0.666667 0.0461(2) Uani 1 6 d S T P . .
Au2 Au 0.43850(2) 0.67700(2) 0.69040(2) 0.05342(13) Uani 1 1 d . . . . .
Au1 Au 0.32341(2) 0.72263(2) 0.57408(2) 0.05345(13) Uani 1 1 d . . . . .
Au3 Au 0.53222(2) 0.75386(2) 0.60138(2) 0.06768(15) Uani 1 1 d . . . . .
Au4 Au 0.44704(2) 0.79113(2) 0.51631(2) 0.06758(15) Uani 1 1 d . . . . .
S1 S 0.36588(13) 0.79859(12) 0.50799(11) 0.0659(6) Uani 1 1 d . . . . .
S2 S 0.53840(11) 0.71022(12) 0.68082(13) 0.0665(6) Uani 1 1 d . . . . .
S3 S 0.53370(14) 0.79363(13) 0.51719(14) 0.0750(7) Uani 1 1 d . . . . .
C009 C 0.3425(4) 0.7830(4) 0.4389(3) 0.071(3) Uani 1 1 d . U . . .
C8 C 0.3571(4) 0.7524(4) 0.4026(4) 0.096(4) Uani 1 1 d G U . . .
H8 H 0.379190 0.736833 0.414715 0.115 Uiso 1 1 calc R . . . .
C00I C 0.3386(5) 0.7450(5) 0.3481(3) 0.114(5) Uani 1 1 d G U . . .
H00I H 0.348344 0.724495 0.323801 0.137 Uiso 1 1 calc R . . . .
C00C C 0.3055(5) 0.7682(5) 0.3300(3) 0.116(5) Uani 1 1 d DG U . . .
C9 C 0.2910(5) 0.7989(5) 0.3663(4) 0.120(5) Uani 1 1 d G U . . .
H9 H 0.268841 0.814416 0.354137 0.144 Uiso 1 1 calc R . . . .
C11 C 0.3094(5) 0.8063(5) 0.4207(4) 0.101(4) Uani 1 1 d G U . . .
H11 H 0.299687 0.826754 0.445051 0.122 Uiso 1 1 calc R . . . .
C00A C 0.5436(4) 0.6496(3) 0.6577(3) 0.068(2) Uani 1 1 d . U . . .
C00E C 0.5097(3) 0.6141(4) 0.6153(3) 0.081(3) Uani 1 1 d G U . . .
H00E H 0.485289 0.623107 0.595997 0.097 Uiso 1 1 calc R . . . .
C00D C 0.5121(4) 0.5652(3) 0.6016(3) 0.081(3) Uani 1 1 d G U . . .
H00D H 0.489418 0.541502 0.573232 0.097 Uiso 1 1 calc R . . . .
C00J C 0.5485(5) 0.5518(4) 0.6304(4) 0.092(3) Uani 1 1 d DG U . . .
C26 C 0.5825(5) 0.5873(5) 0.6729(4) 0.119(5) Uani 1 1 d G U . . .
H26 H 0.606843 0.578290 0.692142 0.143 Uiso 1 1 calc R . . . .
C25 C 0.5800(4) 0.6362(4) 0.6865(4) 0.108(5) Uani 1 1 d G U . . .
H25 H 0.602714 0.659896 0.714908 0.129 Uiso 1 1 calc R . . . .
C00B C 0.5881(3) 0.8681(3) 0.5182(4) 0.078(3) Uani 1 1 d . U . . .
C00H C 0.6451(3) 0.8817(3) 0.5221(5) 0.092(4) Uani 1 1 d G U . . .
H00H H 0.653860 0.852792 0.528234 0.110 Uiso 1 1 calc R . . . .
C4 C 0.6889(3) 0.9383(4) 0.5168(5) 0.095(4) Uani 1 1 d G U . . .
H4 H 0.726978 0.947334 0.519465 0.114 Uiso 1 1 calc R . . . .
C00G C 0.6757(3) 0.9814(3) 0.5077(5) 0.089(4) Uani 1 1 d DG U . . .
C6 C 0.6188(4) 0.9679(3) 0.5038(5) 0.098(4) Uani 1 1 d G U . . .
H6 H 0.610004 0.996797 0.497618 0.118 Uiso 1 1 calc R . . . .
C00F C 0.5750(3) 0.9113(4) 0.5090(5) 0.091(4) Uani 1 1 d G U . . .
H00F H 0.536885 0.902254 0.506387 0.109 Uiso 1 1 calc R . . . .
C27 C 0.515(2) 0.463(2) 0.5653(13) 0.105(10) Uani 0.64(14) 1 d D U . A 1
C28 C 0.5442(7) 0.4921(6) 0.6207(5) 0.113(5) Uani 1 1 d D U . . .
C30 C 0.6078(14) 0.506(3) 0.622(2) 0.128(11) Uani 0.64(14) 1 d D U . A 1
C15 C 0.2843(8) 0.7594(8) 0.2687(6) 0.146(6) Uani 1 1 d D U . . .
C17 C 0.2214(11) 0.7079(13) 0.2700(15) 0.134(10) Uani 0.72(4) 1 d D U . B 1
C29 C 0.512(3) 0.4525(19) 0.6705(18) 0.169(15) Uani 0.64(14) 1 d D U . A 1
C21 C 0.289(2) 0.8152(13) 0.2455(14) 0.212(15) Uani 0.72(4) 1 d D U . B 1
C22 C 0.3212(14) 0.7402(19) 0.2341(12) 0.182(12) Uani 0.72(4) 1 d D U . B 1
C1 C 0.7233(5) 1.0459(5) 0.5026(8) 0.115(5) Uani 1 1 d D U . . .
C31 C 0.7824(10) 1.0572(14) 0.5235(15) 0.115(10) Uani 0.60(3) 1 d D U . C 1
C32 C 0.7295(13) 1.0599(12) 0.4392(10) 0.127(9) Uani 0.60(3) 1 d D U . C 1
C33 C 0.7053(14) 1.0859(12) 0.5304(18) 0.159(13) Uani 0.60(3) 1 d D U . C 1
C33A C 0.7064(19) 1.0797(17) 0.463(2) 0.142(15) Uani 0.40(3) 1 d D U . C 2
C32A C 0.7804(13) 1.050(2) 0.484(2) 0.126(14) Uani 0.40(3) 1 d D U . C 2
C31A C 0.731(2) 1.0712(16) 0.5621(12) 0.137(13) Uani 0.40(3) 1 d D U . C 2
C17A C 0.243(3) 0.6951(13) 0.254(3) 0.144(19) Uani 0.28(4) 1 d D U . B 2
C21A C 0.250(3) 0.793(3) 0.263(3) 0.147(15) Uani 0.28(4) 1 d D U . B 2
C22A C 0.3382(18) 0.788(4) 0.231(2) 0.148(18) Uani 0.28(4) 1 d D U . B 2
C30A C 0.529(4) 0.478(4) 0.5585(15) 0.097(16) Uani 0.36(14) 1 d D U . A 2
C29A C 0.598(3) 0.488(4) 0.636(3) 0.126(18) Uani 0.36(14) 1 d D U . A 2
C27A C 0.492(3) 0.448(2) 0.656(4) 0.14(2) Uani 0.36(14) 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
Pt01 Au2 2.7622(4) 2_665 ?
Pt01 Au2 2.7622(4) 3_565 ?
Pt01 Au2 2.7622(4) 13_566 ?
Pt01 Au2 2.7620(4) 14_456 ?
Pt01 Au2 2.7622(4) 15_556 ?
Pt01 Au2 2.7622(4) . ?
Pt01 Au1 2.7893(4) . ?
Pt01 Au1 2.7894(4) 13_566 ?
Pt01 Au1 2.7894(4) 14_456 ?
Pt01 Au1 2.7894(4) 3_565 ?
Pt01 Au1 2.7894(4) 2_665 ?
Pt01 Au1 2.7895(4) 15_556 ?
Au2 Au2 2.9366(5) 15_556 ?
Au2 Au2 2.9364(5) 14_456 ?
Au2 Au1 2.8224(6) 13_566 ?
Au2 Au1 2.9588(6) 14_456 ?
Au2 Au1 3.0100(6) 3_565 ?
Au2 Au3 3.2312(6) 14_456 ?
Au2 Au3 3.1748(6) . ?
Au2 Au4 3.1127(6) 14_456 ?
Au2 S2 2.382(3) . ?
Au1 Au1 2.8676(7) 2_665 ?
Au1 Au1 2.8676(7) 3_565 ?
Au1 Au3 3.1824(6) 2_665 ?
Au1 Au4 3.2083(6) . ?
Au1 Au4 3.0250(6) 2_665 ?
Au1 S1 2.391(3) . ?
Au3 S2 2.304(3) . ?
Au3 S3 2.296(3) . ?
Au4 S1 2.300(3) . ?
Au4 S3 2.299(3) . ?
S1 C009 1.765(7) . ?
S2 C00A 1.795(7) . ?
S3 C00B 1.797(7) . ?
C009 C8 1.3900 . ?
C009 C11 1.3900 . ?
C8 H8 0.9300 . ?
C8 C00I 1.3900 . ?
C00I H00I 0.9300 . ?
C00I C00C 1.3900 . ?
C00C C9 1.3900 . ?
C00C C15 1.566(14) . ?
C9 H9 0.9300 . ?
C9 C11 1.3900 . ?
C11 H11 0.9300 . ?
C00A C00E 1.3900 . ?
C00A C25 1.3900 . ?
C00E H00E 0.9300 . ?
C00E C00D 1.3900 . ?
C00D H00D 0.9300 . ?
C00D C00J 1.3900 . ?
C00J C26 1.3900 . ?
C00J C28 1.568(12) . ?
C26 H26 0.9300 . ?
C26 C25 1.3900 . ?
C25 H25 0.9300 . ?
C00B C00H 1.3900 . ?
C00B C00F 1.3900 . ?
C00H H00H 0.9300 . ?
C00H C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C00G 1.3900 . ?
C00G C6 1.3900 . ?
C00G C1 1.563(12) . ?
C6 H6 0.9300 . ?
C6 C00F 1.3900 . ?
C00F H00F 0.9300 . ?
C27 C28 1.554(16) . ?
C28 C30 1.557(16) . ?
C28 C29 1.556(16) . ?
C28 C30A 1.558(17) . ?
C28 C29A 1.552(17) . ?
C28 C27A 1.561(17) . ?
C15 C17 1.562(17) . ?
C15 C21 1.550(17) . ?
C15 C22 1.573(18) . ?
C15 C17A 1.557(19) . ?
C15 C21A 1.575(19) . ?
C15 C22A 1.557(19) . ?
C1 C31 1.550(16) . ?
C1 C32 1.570(17) . ?
C1 C33 1.539(16) . ?
C1 C33A 1.533(17) . ?
C1 C32A 1.553(17) . ?
C1 C31A 1.565(17) . ?

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 Pt01 Au2 64.219(6) 2_665 13_566 ?
Au2 Pt01 Au2 115.783(6) 15_556 14_456 ?
Au2 Pt01 Au2 64.224(6) 15_556 . ?
Au2 Pt01 Au2 64.220(6) 3_565 14_456 ?
Au2 Pt01 Au2 180.0 13_566 . ?
Au2 Pt01 Au2 115.778(6) 3_565 . ?
Au2 Pt01 Au2 64.218(6) 2_665 15_556 ?
Au2 Pt01 Au2 115.779(6) 2_665 3_565 ?
Au2 Pt01 Au2 115.776(6) 13_566 15_556 ?
Au2 Pt01 Au2 115.780(6) 2_665 . ?
Au2 Pt01 Au2 180.0 3_565 15_556 ?
Au2 Pt01 Au2 64.222(6) 13_566 3_565 ?
Au2 Pt01 Au2 180.0 2_665 14_456 ?
Au2 Pt01 Au2 115.780(6) 13_566 14_456 ?
Au2 Pt01 Au2 64.221(6) 14_456 . ?
Au2 Pt01 Au1 64.410(12) . 14_456 ?
Au2 Pt01 Au1 61.111(12) 3_565 15_556 ?
Au2 Pt01 Au1 115.588(12) 13_566 14_456 ?
Au2 Pt01 Au1 118.888(12) 13_566 13_566 ?
Au2 Pt01 Au1 114.338(12) . 15_556 ?
Au2 Pt01 Au1 115.592(12) 3_565 . ?
Au2 Pt01 Au1 115.593(12) 2_665 3_565 ?
Au2 Pt01 Au1 64.407(12) 15_556 . ?
Au2 Pt01 Au1 118.886(12) 15_556 15_556 ?
Au2 Pt01 Au1 114.336(12) 14_456 . ?
Au2 Pt01 Au1 65.662(12) 3_565 2_665 ?
Au2 Pt01 Au1 118.890(12) . . ?
Au2 Pt01 Au1 61.110(12) 14_456 2_665 ?
Au2 Pt01 Au1 64.405(12) 2_665 15_556 ?
Au2 Pt01 Au1 65.660(12) 13_566 15_556 ?
Au2 Pt01 Au1 65.664(12) 2_665 . ?
Au2 Pt01 Au1 65.661(12) 15_556 14_456 ?
Au2 Pt01 Au1 61.111(12) 13_566 . ?
Au2 Pt01 Au1 118.890(12) 3_565 3_565 ?
Au2 Pt01 Au1 61.111(12) . 13_566 ?
Au2 Pt01 Au1 61.108(12) 2_665 14_456 ?
Au2 Pt01 Au1 64.409(12) 13_566 2_665 ?
Au2 Pt01 Au1 114.335(12) 2_665 13_566 ?
Au2 Pt01 Au1 114.339(12) 15_556 2_665 ?
Au2 Pt01 Au1 115.593(12) 14_456 15_556 ?
Au2 Pt01 Au1 115.593(12) . 2_665 ?
Au2 Pt01 Au1 64.407(12) 3_565 13_566 ?
Au2 Pt01 Au1 114.339(12) 13_566 3_565 ?
Au2 Pt01 Au1 114.337(12) 3_565 14_456 ?
Au2 Pt01 Au1 61.113(12) 15_556 3_565 ?
Au2 Pt01 Au1 65.664(12) 14_456 13_566 ?
Au2 Pt01 Au1 65.663(12) . 3_565 ?
Au2 Pt01 Au1 64.408(12) 14_456 3_565 ?
Au2 Pt01 Au1 118.892(12) 14_456 14_456 ?
Au2 Pt01 Au1 118.890(12) 2_665 2_665 ?
Au2 Pt01 Au1 115.594(12) 15_556 13_566 ?
Au1 Pt01 Au1 61.864(14) . 2_665 ?
Au1 Pt01 Au1 180.0 . 13_566 ?
Au1 Pt01 Au1 61.863(14) 15_556 14_456 ?
Au1 Pt01 Au1 118.135(14) . 15_556 ?
Au1 Pt01 Au1 118.135(14) . 14_456 ?
Au1 Pt01 Au1 118.136(14) 14_456 3_565 ?
Au1 Pt01 Au1 118.136(14) 13_566 2_665 ?
Au1 Pt01 Au1 118.135(14) 15_556 2_665 ?
Au1 Pt01 Au1 180.0 15_556 3_565 ?
Au1 Pt01 Au1 61.864(14) . 3_565 ?
Au1 Pt01 Au1 61.864(14) 15_556 13_566 ?
Au1 Pt01 Au1 180.0 14_456 2_665 ?
Au1 Pt01 Au1 61.865(14) 2_665 3_565 ?
Au1 Pt01 Au1 118.137(14) 13_566 3_565 ?
Au1 Pt01 Au1 61.865(14) 14_456 13_566 ?
Pt01 Au2 Au2 57.887(3) . 15_556 ?
Pt01 Au2 Au2 57.887(3) . 14_456 ?
Pt01 Au2 Au1 58.241(11) . 14_456 ?
Pt01 Au2 Au1 57.603(11) . 3_565 ?
Pt01 Au2 Au1 59.919(11) . 13_566 ?
Pt01 Au2 Au3 111.346(16) . . ?
Pt01 Au2 Au3 109.716(15) . 14_456 ?
Pt01 Au2 Au4 111.494(16) . 14_456 ?
Au2 Au2 Au2 105.638(17) 14_456 15_556 ?
Au2 Au2 Au1 59.661(16) 14_456 3_565 ?
Au2 Au2 Au1 108.374(12) 14_456 14_456 ?
Au2 Au2 Au1 56.654(16) 15_556 3_565 ?
Au2 Au2 Au1 61.400(12) 15_556 14_456 ?
Au2 Au2 Au3 112.69(2) 14_456 . ?
Au2 Au2 Au3 63.703(17) 15_556 . ?
Au2 Au2 Au3 61.743(15) 14_456 14_456 ?
Au2 Au2 Au3 166.927(16) 15_556 14_456 ?
Au2 Au2 Au4 116.94(2) 14_456 14_456 ?
Au2 Au2 Au4 118.12(2) 15_556 14_456 ?
Au1 Au2 Au2 62.986(13) 13_566 14_456 ?
Au1 Au2 Au2 109.294(13) 13_566 15_556 ?
Au1 Au2 Au1 106.589(18) 14_456 3_565 ?
Au1 Au2 Au1 59.419(18) 13_566 14_456 ?
Au1 Au2 Au1 110.225(19) 13_566 3_565 ?
Au1 Au2 Au3 61.866(15) 3_565 . ?
Au1 Au2 Au3 171.24(2) 13_566 . ?
Au1 Au2 Au3 63.004(15) 13_566 14_456 ?
Au1 Au2 Au3 117.695(18) 14_456 . ?
Au1 Au2 Au3 117.389(18) 14_456 14_456 ?
Au1 Au2 Au3 114.492(18) 3_565 14_456 ?
Au1 Au2 Au4 169.046(19) 3_565 14_456 ?
Au1 Au2 Au4 63.737(14) 14_456 14_456 ?
Au1 Au2 Au4 61.053(15) 13_566 14_456 ?
Au3 Au2 Au3 122.718(17) . 14_456 ?
Au4 Au2 Au3 68.670(16) 14_456 14_456 ?
Au4 Au2 Au3 126.257(19) 14_456 . ?
S2 Au2 Pt01 157.57(7) . . ?
S2 Au2 Au2 102.41(7) . 15_556 ?
S2 Au2 Au2 126.68(8) . 14_456 ?
S2 Au2 Au1 142.42(7) . 13_566 ?
S2 Au2 Au1 124.84(7) . 14_456 ?
S2 Au2 Au1 103.78(8) . 3_565 ?
S2 Au2 Au3 88.82(7) . 14_456 ?
S2 Au2 Au3 46.34(7) . . ?
S2 Au2 Au4 86.56(7) . 14_456 ?
Pt01 Au1 Au2 56.733(11) . 2_665 ?
Pt01 Au1 Au2 58.971(11) . 13_566 ?
Pt01 Au1 Au2 57.351(11) . 15_556 ?
Pt01 Au1 Au1 59.069(7) . 2_665 ?
Pt01 Au1 Au1 59.068(7) . 3_565 ?
Pt01 Au1 Au3 110.389(16) . 2_665 ?
Pt01 Au1 Au4 108.051(15) . . ?
Pt01 Au1 Au4 113.350(17) . 2_665 ?
Au2 Au1 Au2 108.05(2) 13_566 15_556 ?
Au2 Au1 Au2 60.358(10) 13_566 2_665 ?
Au2 Au1 Au2 58.932(10) 15_556 2_665 ?
Au2 Au1 Au1 62.659(17) 13_566 2_665 ?
Au2 Au1 Au1 110.138(15) 13_566 3_565 ?
Au2 Au1 Au3 61.612(15) 2_665 2_665 ?
Au2 Au1 Au3 64.786(15) 13_566 2_665 ?
Au2 Au1 Au3 111.866(18) 15_556 2_665 ?
Au2 Au1 Au4 117.414(18) 2_665 2_665 ?
Au2 Au1 Au4 170.70(2) 15_556 2_665 ?
Au2 Au1 Au4 166.993(19) 13_566 . ?
Au2 Au1 Au4 64.217(15) 13_566 2_665 ?
Au2 Au1 Au4 113.097(17) 2_665 . ?
Au2 Au1 Au4 60.468(14) 15_556 . ?
Au1 Au1 Au2 106.377(14) 2_665 15_556 ?
Au1 Au1 Au2 106.087(12) 3_565 2_665 ?
Au1 Au1 Au2 57.925(16) 3_565 15_556 ?
Au1 Au1 Au2 108.830(12) 2_665 2_665 ?
Au1 Au1 Au1 60.0 2_665 3_565 ?
Au1 Au1 Au3 121.89(2) 2_665 2_665 ?
Au1 Au1 Au3 167.699(13) 3_565 2_665 ?
Au1 Au1 Au4 65.913(18) 2_665 2_665 ?
Au1 Au1 Au4 112.829(16) 2_665 . ?
Au1 Au1 Au4 118.513(17) 3_565 2_665 ?
Au1 Au1 Au4 59.402(17) 3_565 . ?
Au3 Au1 Au4 123.649(18) 2_665 . ?
Au4 Au1 Au3 70.378(16) 2_665 2_665 ?
Au4 Au1 Au4 126.51(2) 2_665 . ?
S1 Au1 Pt01 150.12(7) . . ?
S1 Au1 Au2 114.46(7) . 2_665 ?
S1 Au1 Au2 146.27(8) . 13_566 ?
S1 Au1 Au2 93.12(7) . 15_556 ?
S1 Au1 Au1 136.56(7) . 2_665 ?
S1 Au1 Au1 103.31(8) . 3_565 ?
S1 Au1 Au3 83.23(8) . 2_665 ?
S1 Au1 Au4 45.67(8) . . ?
S1 Au1 Au4 96.13(7) . 2_665 ?
Au2 Au3 Au2 54.559(14) . 15_556 ?
Au2 Au3 Au1 56.521(13) . 3_565 ?
Au1 Au3 Au2 52.208(13) 3_565 15_556 ?
S2 Au3 Au2 95.98(7) . 15_556 ?
S2 Au3 Au2 48.40(7) . . ?
S2 Au3 Au1 100.66(7) . 3_565 ?
S3 Au3 Au2 136.98(8) . . ?
S3 Au3 Au2 91.25(8) . 15_556 ?
S3 Au3 Au1 82.61(8) . 3_565 ?
S3 Au3 S2 172.61(11) . . ?
Au2 Au4 Au1 55.792(13) 15_556 . ?
Au1 Au4 Au2 54.731(13) 3_565 15_556 ?
Au1 Au4 Au1 54.684(17) 3_565 . ?
S1 Au4 Au2 91.04(7) . 15_556 ?
S1 Au4 Au1 48.04(7) . . ?
S1 Au4 Au1 101.00(7) . 3_565 ?
S3 Au4 Au2 94.26(8) . 15_556 ?
S3 Au4 Au1 139.28(8) . . ?
S3 Au4 Au1 86.22(8) . 3_565 ?
S3 Au4 S1 172.66(10) . . ?
Au4 S1 Au1 86.30(10) . . ?
C009 S1 Au1 118.2(3) . . ?
C009 S1 Au4 107.7(3) . . ?
Au3 S2 Au2 85.27(10) . . ?
C00A S2 Au2 106.0(3) . . ?
C00A S2 Au3 105.1(3) . . ?
Au3 S3 Au4 102.33(12) . . ?
C00B S3 Au3 108.8(4) . . ?
C00B S3 Au4 106.3(3) . . ?
C8 C009 S1 124.7(6) . . ?
C8 C009 C11 120.0 . . ?
C11 C009 S1 115.2(6) . . ?
C009 C8 H8 120.0 . . ?
C00I C8 C009 120.0 . . ?
C00I C8 H8 120.0 . . ?
C8 C00I H00I 120.0 . . ?
C00C C00I C8 120.0 . . ?
C00C C00I H00I 120.0 . . ?
C00I C00C C15 120.0(11) . . ?
C9 C00C C00I 120.0 . . ?
C9 C00C C15 120.0(11) . . ?
C00C C9 H9 120.0 . . ?
C00C C9 C11 120.0 . . ?
C11 C9 H9 120.0 . . ?
C009 C11 H11 120.0 . . ?
C9 C11 C009 120.0 . . ?
C9 C11 H11 120.0 . . ?
C00E C00A S2 122.1(5) . . ?
C00E C00A C25 120.0 . . ?
C25 C00A S2 117.7(5) . . ?
C00A C00E H00E 120.0 . . ?
C00A C00E C00D 120.0 . . ?
C00D C00E H00E 120.0 . . ?
C00E C00D H00D 120.0 . . ?
C00J C00D C00E 120.0 . . ?
C00J C00D H00D 120.0 . . ?
C00D C00J C26 120.0 . . ?
C00D C00J C28 119.3(8) . . ?
C26 C00J C28 120.1(8) . . ?
C00J C26 H26 120.0 . . ?
C25 C26 C00J 120.0 . . ?
C25 C26 H26 120.0 . . ?
C00A C25 H25 120.0 . . ?
C26 C25 C00A 120.0 . . ?
C26 C25 H25 120.0 . . ?
C00H C00B S3 118.0(5) . . ?
C00H C00B C00F 120.0 . . ?
C00F C00B S3 121.6(5) . . ?
C00B C00H H00H 120.0 . . ?
C4 C00H C00B 120.0 . . ?
C4 C00H H00H 120.0 . . ?
C00H C4 H4 120.0 . . ?
C00G C4 C00H 120.0 . . ?
C00G C4 H4 120.0 . . ?
C4 C00G C6 120.0 . . ?
C4 C00G C1 122.1(7) . . ?
C6 C00G C1 117.9(7) . . ?
C00G C6 H6 120.0 . . ?
C00F C6 C00G 120.0 . . ?
C00F C6 H6 120.0 . . ?
C00B C00F H00F 120.0 . . ?
C6 C00F C00B 120.0 . . ?
C6 C00F H00F 120.0 . . ?
C27 C28 C00J 114(2) . . ?
C27 C28 C30 110.2(16) . . ?
C27 C28 C29 111.0(17) . . ?
C30 C28 C00J 104(2) . . ?
C29 C28 C00J 109(2) . . ?
C29 C28 C30 108.5(16) . . ?
C30A C28 C00J 106(2) . . ?
C30A C28 C27A 108(2) . . ?
C29A C28 C00J 116(3) . . ?
C29A C28 C30A 110.1(19) . . ?
C29A C28 C27A 109.2(19) . . ?
C27A C28 C00J 106(2) . . ?
C00C C15 C22 108.2(17) . . ?
C00C C15 C21A 105(3) . . ?
C17 C15 C00C 105.5(17) . . ?
C17 C15 C22 107.5(15) . . ?
C21 C15 C00C 110.6(18) . . ?
C21 C15 C17 113.0(17) . . ?
C21 C15 C22 111.7(16) . . ?
C17A C15 C00C 112(2) . . ?
C17A C15 C21A 109.2(19) . . ?
C22A C15 C00C 108(3) . . ?
C22A C15 C17A 112(2) . . ?
C22A C15 C21A 109.3(18) . . ?
C00G C1 C32 105.9(15) . . ?
C00G C1 C31A 105.5(18) . . ?
C31 C1 C00G 112.4(15) . . ?
C31 C1 C32 107.4(15) . . ?
C33 C1 C00G 111.9(15) . . ?
C33 C1 C31 111.8(16) . . ?
C33 C1 C32 107.0(15) . . ?
C33A C1 C00G 112.8(19) . . ?
C33A C1 C32A 111.2(18) . . ?
C33A C1 C31A 109.3(17) . . ?
C32A C1 C00G 109.2(19) . . ?
C32A C1 C31A 108.7(18) . . ?

_shelx_SHELXL_version_number     2018/3
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.774
_oxdiff_exptl_absorpt_empirical_full_min 0.427
