#------------------------------------------------------------------------------
#$Date: 2019-11-03 12:52:20 +0200 (Sun, 03 Nov 2019) $
#$Revision: 221451 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/83/4128328.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4128328
loop_
_publ_author_name
'Takano, Shinjiro'
'Ito, Shun'
'Tsukuda, Tatsuya'
_publ_section_title
;
 Efficient and Selective Conversion of Phosphine-Protected
 (MAu₈)²⁺ (M = Pd, Pt) Superatoms to
 Thiolate-Protected (MAu₁₂)⁶⁺ or Alkynyl-Protected
 (MAu₁₂)⁴⁺ Superatoms via Hydride Doping.
;
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15994
_journal_page_last               16002
_journal_paper_doi               10.1021/jacs.9b08055
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C72 H198 Au24 Pt S18 Si18'
_chemical_formula_weight         7069.28
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                103.8290(10)
_cell_angle_beta                 112.0140(10)
_cell_angle_gamma                107.2410(10)
_cell_formula_units_Z            1
_cell_length_a                   16.883(3)
_cell_length_b                   16.927(3)
_cell_length_c                   17.005(3)
_cell_measurement_reflns_used    10570
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      2.0
_cell_volume                     3952.2(12)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku AFC11 with Saturn724+'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0628
_diffrn_reflns_av_unetI/netI     0.0748
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            39106
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.347
_diffrn_reflns_theta_min         2.038
_diffrn_source                   'Rotating anode'
_exptl_absorpt_coefficient_mu    23.452
_exptl_absorpt_correction_T_max  0.568
_exptl_absorpt_correction_T_min  0.121
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    2.970
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             3144
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.163
_refine_diff_density_min         -3.183
_refine_diff_density_rms         0.314
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     673
_refine_ls_number_reflns         14385
_refine_ls_number_restraints     190
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0355
_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)+(0.0083P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0604
_refine_ls_wR_factor_ref         0.0638
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12309
_reflns_number_total             14385
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b08055_si_006.cif
_cod_data_source_block           shelxs_a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        3952.4(10)
_cod_database_code               4128328
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.33824(2) 0.41505(3) 0.51153(2) 0.01368(9) Uani 1 1 d . . . . .
Au2 Au 0.52097(2) 0.53688(2) 0.67683(2) 0.01280(9) Uani 1 1 d . . . . .
Au3 Au 0.48720(3) 0.36691(3) 0.56892(2) 0.01441(9) Uani 1 1 d . . . . .
Au4 Au 0.38323(2) 0.32300(2) 0.37670(2) 0.01265(8) Uani 1 1 d . . . . .
Au5 Au 0.32378(3) 0.45705(3) 0.35746(2) 0.01591(9) Uani 1 1 d . . . . .
Au6 Au 0.42376(3) 0.60897(3) 0.55794(2) 0.01563(9) Uani 1 1 d . . . . .
Au7 Au 0.38518(3) 0.37672(3) 0.69573(2) 0.01621(9) Uani 1 1 d . . . . .
Au8 Au 0.62918(3) 0.43332(3) 0.77066(2) 0.01551(9) Uani 1 1 d . . . . .
Au9 Au 0.47684(3) 0.19851(3) 0.42610(2) 0.01703(9) Uani 1 1 d . . . . .
Au10 Au 0.44853(3) 0.26337(3) 0.23260(2) 0.01636(9) Uani 1 1 d . . . . .
Au11 Au 0.16579(3) 0.27563(3) 0.30421(2) 0.01633(9) Uani 1 1 d . . . . .
Au12 Au 0.18717(3) 0.48052(3) 0.44264(2) 0.01547(9) Uani 1 1 d . . . . .
Pt1 Pt 0.500000 0.500000 0.500000 0.00981(11) Uani 1 2 d S . P . .
S1 S 0.25197(17) 0.38002(18) 0.59221(16) 0.0180(6) Uani 1 1 d . . . . .
S2 S 0.51030(17) 0.36351(17) 0.80020(16) 0.0170(6) Uani 1 1 d . . . . .
S3 S 0.75960(17) 0.49734(17) 0.75400(16) 0.0171(6) Uani 1 1 d . . . . .
S4 S 0.50460(18) 0.23528(17) 0.57650(16) 0.0184(6) Uani 1 1 d . . . . .
S5 S 0.44458(18) 0.14281(17) 0.27440(16) 0.0202(6) Uani 1 1 d . . . . .
S6 S 0.44250(16) 0.37211(16) 0.17284(15) 0.0161(5) Uani 1 1 d . . . . .
S7 S 0.24078(17) 0.19267(16) 0.26198(16) 0.0179(6) Uani 1 1 d . . . . .
S8 S 0.07144(16) 0.34149(17) 0.33021(16) 0.0172(6) Uani 1 1 d . . . . .
S9 S 0.28884(16) 0.62759(17) 0.54658(16) 0.0157(5) Uani 1 1 d . . . . .
Si1 Si 0.1085(2) 0.2154(2) 0.5945(2) 0.0374(9) Uani 1 1 d . . . . .
Si2 Si 0.64256(19) 0.4219(2) 1.00745(18) 0.0200(7) Uani 1 1 d . . . . .
Si3 Si 0.8297(2) 0.3454(2) 0.7565(2) 0.0338(8) Uani 1 1 d . . . . .
Si4 Si 0.3959(6) 0.0481(7) 0.5648(6) 0.026(2) Uani 0.6 1 d D . P A 1
Si4B Si 0.3872(11) 0.0635(11) 0.5946(9) 0.028(3) Uani 0.4 1 d D . P A 2
Si5 Si 0.5215(2) 0.0638(2) 0.15333(19) 0.0240(7) Uani 1 1 d . . . . .
Si6 Si 0.2636(2) 0.2339(2) -0.01163(18) 0.0226(7) Uani 1 1 d . . . . .
Si8 Si -0.04572(19) 0.2626(2) 0.11246(18) 0.0222(7) Uani 1 1 d . . . . .
Si9 Si 0.1815(2) 0.6351(2) 0.65768(19) 0.0225(7) Uani 1 1 d . . . . .
C1A C 0.1592(7) 0.2657(7) 0.5262(6) 0.029(3) Uani 1 1 d . . . . .
H1A1 H 0.184799 0.226783 0.500894 0.035 Uiso 1 1 calc R U . . .
H1A2 H 0.107216 0.265297 0.473352 0.035 Uiso 1 1 calc R U . . .
C1B C 0.0956(9) 0.3009(9) 0.6730(9) 0.069(5) Uani 1 1 d . . . . .
H1B1 H 0.054031 0.323388 0.636884 0.104 Uiso 1 1 calc R U . . .
H1B2 H 0.067996 0.273770 0.706841 0.104 Uiso 1 1 calc R U . . .
H1B3 H 0.157788 0.350935 0.716797 0.104 Uiso 1 1 calc R U . . .
C1C C 0.1862(8) 0.1725(8) 0.6610(8) 0.053(4) Uani 1 1 d . . . . .
H1C1 H 0.192679 0.127131 0.618831 0.079 Uiso 1 1 calc R U . . .
H1C2 H 0.248647 0.222237 0.704867 0.079 Uiso 1 1 calc R U . . .
H1C3 H 0.158855 0.145072 0.694911 0.079 Uiso 1 1 calc R U . . .
C1D C -0.0105(8) 0.1216(9) 0.5107(9) 0.081(5) Uani 1 1 d . U . . .
H1D1 H -0.051372 0.145136 0.475544 0.121 Uiso 1 1 calc R U . . .
H1D2 H -0.004290 0.076261 0.468158 0.121 Uiso 1 1 calc R U . . .
H1D3 H -0.038288 0.093997 0.544124 0.121 Uiso 1 1 calc R U . . .
C2A C 0.5434(6) 0.4346(7) 0.9163(6) 0.021(2) Uani 1 1 d . . . . .
H2A1 H 0.487467 0.418217 0.926033 0.025 Uiso 1 1 calc R U . . .
H2A2 H 0.564778 0.498280 0.923429 0.025 Uiso 1 1 calc R U . . .
C2B C 0.7594(7) 0.4843(7) 1.0177(6) 0.029(3) Uani 1 1 d . . . . .
H2B1 H 0.758293 0.459440 0.958788 0.043 Uiso 1 1 calc R U . . .
H2B2 H 0.772877 0.548104 1.033460 0.043 Uiso 1 1 calc R U . . .
H2B3 H 0.808719 0.478269 1.066266 0.043 Uiso 1 1 calc R U . . .
C2C C 0.6458(7) 0.4698(8) 1.1198(6) 0.036(3) Uani 1 1 d . . . . .
H2C1 H 0.584385 0.437222 1.114922 0.053 Uiso 1 1 calc R U . . .
H2C2 H 0.695242 0.463788 1.168188 0.053 Uiso 1 1 calc R U . . .
H2C3 H 0.659400 0.533624 1.135382 0.053 Uiso 1 1 calc R U . . .
C2D C 0.6131(7) 0.2989(6) 0.9718(6) 0.026(3) Uani 1 1 d . . . . .
H2D1 H 0.551444 0.266625 0.966602 0.039 Uiso 1 1 calc R U . . .
H2D2 H 0.610723 0.275674 0.912000 0.039 Uiso 1 1 calc R U . . .
H2D3 H 0.661671 0.290172 1.018220 0.039 Uiso 1 1 calc R U . . .
C3A C 0.7707(7) 0.4032(6) 0.6889(6) 0.020(2) Uani 1 1 d . . . . .
H3A1 H 0.806764 0.424973 0.658070 0.024 Uiso 1 1 calc R U . . .
H3A2 H 0.706624 0.357934 0.639894 0.024 Uiso 1 1 calc R U . . .
C3B C 0.7499(8) 0.2786(8) 0.7896(8) 0.055(4) Uani 1 1 d . . . . .
H3B1 H 0.690363 0.235265 0.734026 0.083 Uiso 1 1 calc R U . . .
H3B2 H 0.779670 0.246175 0.822119 0.083 Uiso 1 1 calc R U . . .
H3B3 H 0.737077 0.318724 0.830212 0.083 Uiso 1 1 calc R U . . .
C3C C 0.9428(8) 0.4279(8) 0.8597(8) 0.071(5) Uani 1 1 d . . . . .
H3C1 H 0.984315 0.462839 0.840715 0.106 Uiso 1 1 calc R U . . .
H3C2 H 0.930717 0.468630 0.900597 0.106 Uiso 1 1 calc R U . . .
H3C3 H 0.973310 0.396081 0.892504 0.106 Uiso 1 1 calc R U . . .
C3D C 0.8533(10) 0.2719(10) 0.6762(10) 0.085(5) Uani 1 1 d . . . . .
H3D1 H 0.895948 0.309142 0.659721 0.128 Uiso 1 1 calc R U . . .
H3D2 H 0.882834 0.237925 0.706342 0.128 Uiso 1 1 calc R U . . .
H3D3 H 0.793645 0.229819 0.620162 0.128 Uiso 1 1 calc R U . . .
C4A C 0.3939(7) 0.1637(7) 0.5705(7) 0.029(3) Uani 1 1 d . . . . .
H4A1 H 0.338490 0.155069 0.514982 0.035 Uiso 1 1 calc R U . A 1
H4A2 H 0.389626 0.192617 0.625745 0.035 Uiso 1 1 calc R U . A 1
C4B C 0.3773(17) -0.0199(15) 0.4517(10) 0.047(6) Uani 0.65 1 d D U P A 1
H4B1 H 0.429924 0.010708 0.442203 0.071 Uiso 0.65 1 calc R U P A 1
H4B2 H 0.374034 -0.079096 0.450083 0.071 Uiso 0.65 1 calc R U P A 1
H4B3 H 0.317915 -0.027535 0.402776 0.071 Uiso 0.65 1 calc R U P A 1
C4BB C 0.386(3) -0.017(3) 0.498(2) 0.047(6) Uani 0.35 1 d D U P A 2
H4B4 H 0.382651 -0.071779 0.508799 0.070 Uiso 0.35 1 calc R U P A 2
H4B5 H 0.331311 -0.031243 0.440175 0.070 Uiso 0.35 1 calc R U P A 2
H4B6 H 0.444324 0.010789 0.495274 0.070 Uiso 0.35 1 calc R U P A 2
C4C C 0.297(2) -0.008(2) 0.585(3) 0.056(9) Uani 0.65 1 d D U P A 1
H4C1 H 0.307787 0.028815 0.645790 0.084 Uiso 0.65 1 calc R U P A 1
H4C2 H 0.236945 -0.015895 0.537002 0.084 Uiso 0.65 1 calc R U P A 1
H4C3 H 0.293065 -0.067456 0.584309 0.084 Uiso 0.65 1 calc R U P A 1
C4CB C 0.278(4) 0.010(4) 0.603(6) 0.056(9) Uani 0.35 1 d D U P A 2
H4C4 H 0.277168 -0.043310 0.615677 0.084 Uiso 0.35 1 calc R U P A 2
H4C5 H 0.277794 0.053288 0.652482 0.084 Uiso 0.35 1 calc R U P A 2
H4C6 H 0.222259 -0.007240 0.544030 0.084 Uiso 0.35 1 calc R U P A 2
C4D C 0.5134(12) 0.0693(13) 0.6581(12) 0.046(6) Uani 0.6 1 d D U P A 1
H4D1 H 0.523184 0.105475 0.718215 0.068 Uiso 0.6 1 calc R U P A 1
H4D2 H 0.514391 0.011665 0.658002 0.068 Uiso 0.6 1 calc R U P A 1
H4D3 H 0.563898 0.101779 0.646906 0.068 Uiso 0.6 1 calc R U P A 1
C4DB C 0.4947(18) 0.100(2) 0.7044(16) 0.045(6) Uani 0.4 1 d D U P A 2
H4D4 H 0.494234 0.047475 0.720325 0.068 Uiso 0.4 1 calc R U P A 2
H4D5 H 0.550818 0.125002 0.697576 0.068 Uiso 0.4 1 calc R U P A 2
H4D6 H 0.496222 0.145165 0.753549 0.068 Uiso 0.4 1 calc R U P A 2
C5A C 0.5447(7) 0.1229(7) 0.2738(6) 0.022(2) Uani 1 1 d . . . . .
H5A1 H 0.558266 0.085795 0.309653 0.026 Uiso 1 1 calc R U . . .
H5A2 H 0.601228 0.181180 0.304462 0.026 Uiso 1 1 calc R U . . .
C5B C 0.5136(7) 0.1395(7) 0.0889(6) 0.030(3) Uani 1 1 d . . . . .
H5B1 H 0.573693 0.193514 0.120642 0.045 Uiso 1 1 calc R U . . .
H5B2 H 0.500463 0.107493 0.025957 0.045 Uiso 1 1 calc R U . . .
H5B3 H 0.462576 0.156920 0.086300 0.045 Uiso 1 1 calc R U . . .
C5C C 0.4075(7) -0.0384(7) 0.0929(7) 0.038(3) Uani 1 1 d . . . . .
H5C1 H 0.355967 -0.020693 0.086820 0.056 Uiso 1 1 calc R U . . .
H5C2 H 0.396372 -0.072362 0.031371 0.056 Uiso 1 1 calc R U . . .
H5C3 H 0.410021 -0.076226 0.128505 0.056 Uiso 1 1 calc R U . . .
C5D C 0.6222(8) 0.0334(8) 0.1666(7) 0.043(3) Uani 1 1 d . . . . .
H5D1 H 0.681437 0.088382 0.198597 0.065 Uiso 1 1 calc R U . . .
H5D2 H 0.625866 -0.004053 0.202578 0.065 Uiso 1 1 calc R U . . .
H5D3 H 0.612217 -0.000188 0.105444 0.065 Uiso 1 1 calc R U . . .
C6A C 0.3149(6) 0.3333(6) 0.1007(6) 0.017(2) Uani 1 1 d . . . . .
H6A1 H 0.303101 0.383561 0.086734 0.020 Uiso 1 1 calc R U . . .
H6A2 H 0.282061 0.316054 0.135680 0.020 Uiso 1 1 calc R U . . .
C6B C 0.1519(7) 0.2332(7) -0.0951(6) 0.035(3) Uani 1 1 d . . . . .
H6B1 H 0.167139 0.289429 -0.104835 0.053 Uiso 1 1 calc R U . . .
H6B2 H 0.122463 0.182032 -0.154102 0.053 Uiso 1 1 calc R U . . .
H6B3 H 0.108040 0.227952 -0.069773 0.053 Uiso 1 1 calc R U . . .
C6C C 0.2367(7) 0.1280(7) 0.0081(7) 0.035(3) Uani 1 1 d . . . . .
H6C1 H 0.192245 0.121925 0.032751 0.052 Uiso 1 1 calc R U . . .
H6C2 H 0.208403 0.076555 -0.050470 0.052 Uiso 1 1 calc R U . . .
H6C3 H 0.295234 0.129658 0.052374 0.052 Uiso 1 1 calc R U . . .
C6D C 0.3478(7) 0.2486(7) -0.0585(7) 0.034(3) Uani 1 1 d . . . . .
H6D1 H 0.360698 0.304852 -0.068232 0.051 Uiso 1 1 calc R U . . .
H6D2 H 0.406927 0.250933 -0.014583 0.051 Uiso 1 1 calc R U . . .
H6D3 H 0.320096 0.197830 -0.117427 0.051 Uiso 1 1 calc R U . . .
C7A C 0.2231(7) 0.1081(7) 0.3106(7) 0.035(2) Uani 1 1 d D U . . .
H7A1 H 0.232056 0.136625 0.373203 0.042 Uiso 1 1 calc R U . B 1
H7A2 H 0.271386 0.084683 0.316598 0.042 Uiso 1 1 calc R U . B 1
Si7 Si 0.1016(5) 0.0111(5) 0.2373(6) 0.0342(18) Uani 0.6 1 d D U P C 1
C7B C 0.0499(11) -0.0024(12) 0.1158(8) 0.044(3) Uani 0.6 1 d D U P C 1
H7B1 H 0.044097 0.052684 0.111993 0.065 Uiso 0.6 1 calc R U P C 1
H7B2 H 0.090784 -0.013685 0.090541 0.065 Uiso 0.6 1 calc R U P C 1
H7B3 H -0.012886 -0.053333 0.080187 0.065 Uiso 0.6 1 calc R U P C 1
C7C C 0.0249(10) 0.0385(12) 0.2871(13) 0.047(4) Uani 0.55 1 d D U P C 1
H7C1 H 0.052041 0.045813 0.351798 0.070 Uiso 0.55 1 calc R U P C 1
H7C2 H 0.021962 0.094573 0.283288 0.070 Uiso 0.55 1 calc R U P C 1
H7C3 H -0.039066 -0.010595 0.251821 0.070 Uiso 0.55 1 calc R U P C 1
C7D C 0.1135(13) -0.0938(9) 0.2466(14) 0.048(3) Uani 0.55 1 d D U P C 1
H7D1 H 0.141070 -0.085658 0.311581 0.071 Uiso 0.55 1 calc R U P C 1
H7D2 H 0.050902 -0.144980 0.211362 0.071 Uiso 0.55 1 calc R U P C 1
H7D3 H 0.154572 -0.105332 0.221716 0.071 Uiso 0.55 1 calc R U P C 1
Si7B Si 0.1317(8) -0.0030(9) 0.2384(9) 0.040(3) Uani 0.4 1 d D U P C 2
C7BB C 0.0277(12) 0.0037(17) 0.1532(15) 0.044(3) Uani 0.4 1 d D U P C 2
H7B4 H -0.022784 -0.057188 0.113269 0.065 Uiso 0.4 1 calc R U P C 2
H7B5 H 0.004974 0.039141 0.186197 0.065 Uiso 0.4 1 calc R U P C 2
H7B6 H 0.046437 0.032537 0.115498 0.065 Uiso 0.4 1 calc R U P C 2
C7CB C 0.0945(15) -0.0560(14) 0.3111(15) 0.047(3) Uani 0.45 1 d D U P C 2
H7C4 H 0.044283 -0.117048 0.271748 0.071 Uiso 0.45 1 calc R U P C 2
H7C5 H 0.148810 -0.058621 0.357256 0.071 Uiso 0.45 1 calc R U P C 2
H7C6 H 0.070982 -0.019893 0.342389 0.071 Uiso 0.45 1 calc R U P C 2
C7DB C 0.1809(15) -0.0668(13) 0.1799(15) 0.051(5) Uani 0.45 1 d D U P C 2
H7D4 H 0.132417 -0.128458 0.139443 0.077 Uiso 0.45 1 calc R U P C 2
H7D5 H 0.200371 -0.037112 0.143056 0.077 Uiso 0.45 1 calc R U P C 2
H7D6 H 0.235737 -0.068392 0.226482 0.077 Uiso 0.45 1 calc R U P C 2
C8A C 0.0199(6) 0.3624(6) 0.2273(6) 0.019(2) Uani 1 1 d . . . . .
H8A1 H 0.071261 0.408863 0.226448 0.022 Uiso 1 1 calc R U . . .
H8A2 H -0.024357 0.388113 0.232359 0.022 Uiso 1 1 calc R U . . .
C8B C -0.1345(7) 0.2882(7) 0.0297(6) 0.034(3) Uani 1 1 d . . . . .
H8B1 H -0.101836 0.344463 0.025826 0.051 Uiso 1 1 calc R U . . .
H8B2 H -0.168810 0.238995 -0.031483 0.051 Uiso 1 1 calc R U . . .
H8B3 H -0.179277 0.294678 0.051505 0.051 Uiso 1 1 calc R U . . .
C8C C 0.0400(7) 0.2533(7) 0.0706(7) 0.035(3) Uani 1 1 d . . . . .
H8C1 H 0.070896 0.309902 0.066329 0.053 Uiso 1 1 calc R U . . .
H8C2 H 0.087847 0.241304 0.114018 0.053 Uiso 1 1 calc R U . . .
H8C3 H 0.006356 0.203945 0.009619 0.053 Uiso 1 1 calc R U . . .
C8D C -0.1052(7) 0.1568(7) 0.1213(7) 0.037(3) Uani 1 1 d . . . . .
H8D1 H -0.149913 0.162751 0.143356 0.055 Uiso 1 1 calc R U . . .
H8D2 H -0.139306 0.107084 0.060469 0.055 Uiso 1 1 calc R U . . .
H8D3 H -0.057815 0.144443 0.164868 0.055 Uiso 1 1 calc R U . . .
C9A C 0.2909(6) 0.6277(6) 0.6549(6) 0.019(2) Uani 1 1 d . . . . .
H9A1 H 0.348339 0.679622 0.707469 0.023 Uiso 1 1 calc R U . . .
H9A2 H 0.293601 0.571911 0.661667 0.023 Uiso 1 1 calc R U . . .
C9B C 0.1367(8) 0.6982(8) 0.5902(8) 0.042(3) Uani 1 1 d . . . . .
H9B1 H 0.117873 0.666772 0.525248 0.063 Uiso 1 1 calc R U . . .
H9B2 H 0.081896 0.702228 0.595209 0.063 Uiso 1 1 calc R U . . .
H9B3 H 0.186578 0.758973 0.614562 0.063 Uiso 1 1 calc R U . . .
C9C C 0.0904(7) 0.5183(7) 0.6146(7) 0.032(3) Uani 1 1 d . . . . .
H9C1 H 0.071471 0.485790 0.549852 0.048 Uiso 1 1 calc R U . . .
H9C2 H 0.116605 0.487163 0.651686 0.048 Uiso 1 1 calc R U . . .
H9C3 H 0.035043 0.520614 0.619623 0.048 Uiso 1 1 calc R U . . .
C9D C 0.2163(7) 0.6953(8) 0.7792(7) 0.044(4) Uani 1 1 d . . . . .
H9D1 H 0.240103 0.662665 0.815660 0.065 Uiso 1 1 calc R U . . .
H9D2 H 0.265972 0.756112 0.803073 0.065 Uiso 1 1 calc R U . . .
H9D3 H 0.161289 0.699367 0.783720 0.065 Uiso 1 1 calc R U . . .
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
S1 Au1 Au3 108.48(6) . .
S1 Au1 Pt1 154.22(6) . .
Au3 Au1 Pt1 59.677(15) . .
S1 Au1 Au5 141.85(6) . .
Au3 Au1 Au5 108.311(16) . .
Pt1 Au1 Au5 59.436(11) . .
S1 Au1 Au4 139.47(7) . .
Au3 Au1 Au4 59.766(15) . .
Pt1 Au1 Au4 57.866(12) . .
Au5 Au1 Au4 57.823(15) . .
S1 Au1 Au6 111.52(7) . .
Au3 Au1 Au6 106.117(18) . .
Pt1 Au1 Au6 57.259(10) . .
Au5 Au1 Au6 66.755(15) . .
Au4 Au1 Au6 109.001(16) . .
S1 Au1 Au2 96.18(6) . .
Au3 Au1 Au2 58.008(16) . .
Pt1 Au1 Au2 58.038(14) . .
Au5 Au1 Au2 111.633(18) . .
Au4 Au1 Au2 105.706(19) . .
Au6 Au1 Au2 58.234(13) . .
S1 Au1 Au12 77.06(6) . .
Au3 Au1 Au12 174.064(17) . .
Pt1 Au1 Au12 114.399(17) . .
Au5 Au1 Au12 66.669(13) . .
Au4 Au1 Au12 117.522(17) . .
Au6 Au1 Au12 69.284(16) . .
Au2 Au1 Au12 120.075(19) . .
S1 Au1 Au7 45.84(6) . .
Au3 Au1 Au7 64.896(13) . .
Pt1 Au1 Au7 112.711(14) . .
Au5 Au1 Au7 172.109(17) . .
Au4 Au1 Au7 118.368(18) . .
Au6 Au1 Au7 110.393(16) . .
Au2 Au1 Au7 61.761(14) . .
Au12 Au1 Au7 119.852(15) . .
S1 Au1 Au11 96.45(6) . .
Au3 Au1 Au11 112.865(18) . .
Pt1 Au1 Au11 109.217(16) . .
Au5 Au1 Au11 59.742(15) . .
Au4 Au1 Au11 61.104(16) . .
Au6 Au1 Au11 120.777(16) . .
Au2 Au1 Au11 166.434(16) . .
Au12 Au1 Au11 67.860(15) . .
Au7 Au1 Au11 125.775(17) . .
S6 Au2 Au3 143.22(6) 2_666 .
S6 Au2 Pt1 156.54(6) 2_666 .
Au3 Au2 Pt1 59.781(11) . .
S6 Au2 Au6 104.81(6) 2_666 .
Au3 Au2 Au6 108.218(18) . .
Pt1 Au2 Au6 58.220(12) . .
S6 Au2 Au5 117.53(6) 2_666 2_666
Au3 Au2 Au5 68.977(15) . 2_666
Pt1 Au2 Au5 58.905(10) . 2_666
Au6 Au2 Au5 104.479(17) . 2_666
S6 Au2 Au1 130.94(6) 2_666 .
Au3 Au2 Au1 58.047(14) . .
Pt1 Au2 Au1 58.288(13) . .
Au6 Au2 Au1 60.740(16) . .
Au5 Au2 Au1 111.532(19) 2_666 .
S6 Au2 Au4 100.54(6) 2_666 2_666
Au3 Au2 Au4 110.953(19) . 2_666
Pt1 Au2 Au4 57.187(11) . 2_666
Au6 Au2 Au4 56.362(15) . 2_666
Au5 Au2 Au4 56.587(13) 2_666 2_666
Au1 Au2 Au4 105.654(18) . 2_666
S6 Au2 Au10 46.91(6) 2_666 2_666
Au3 Au2 Au10 169.859(16) . 2_666
Pt1 Au2 Au10 110.206(14) . 2_666
Au6 Au2 Au10 62.580(15) . 2_666
Au5 Au2 Au10 108.084(16) 2_666 2_666
Au1 Au2 Au10 116.467(17) . 2_666
Au4 Au2 Au10 60.995(15) 2_666 2_666
S6 Au2 Au7 86.69(6) 2_666 .
Au3 Au2 Au7 65.549(16) . .
Pt1 Au2 Au7 114.271(14) . .
Au6 Au2 Au7 113.712(18) . .
Au5 Au2 Au7 127.328(18) 2_666 .
Au1 Au2 Au7 63.298(15) . .
Au4 Au2 Au7 168.825(16) 2_666 .
Au10 Au2 Au7 121.032(18) 2_666 .
S6 Au2 Au8 87.29(6) 2_666 .
Au3 Au2 Au8 60.929(15) . .
Pt1 Au2 Au8 109.574(15) . .
Au6 Au2 Au8 167.705(17) . .
Au5 Au2 Au8 67.098(15) 2_666 .
Au1 Au2 Au8 112.885(18) . .
Au4 Au2 Au8 120.013(18) 2_666 .
Au10 Au2 Au8 127.670(16) 2_666 .
Au7 Au2 Au8 68.445(17) . .
S4 Au3 Pt1 151.47(6) . .
S4 Au3 Au2 142.97(6) . .
Pt1 Au3 Au2 60.242(15) . .
S4 Au3 Au1 136.26(6) . .
Pt1 Au3 Au1 60.407(12) . .
Au2 Au3 Au1 63.944(14) . .
S4 Au3 Au4 104.23(6) . .
Pt1 Au3 Au4 59.079(12) . .
Au2 Au3 Au4 112.640(17) . .
Au1 Au3 Au4 62.769(13) . .
S4 Au3 Au8 78.49(6) . .
Pt1 Au3 Au8 113.932(16) . .
Au2 Au3 Au8 65.915(14) . .
Au1 Au3 Au8 122.358(17) . .
Au4 Au3 Au8 169.352(18) . .
S4 Au3 Au6 96.18(6) . 2_666
Pt1 Au3 Au6 55.455(11) . 2_666
Au2 Au3 Au6 107.267(17) . 2_666
Au1 Au3 Au6 106.026(17) . 2_666
Au4 Au3 Au6 55.260(15) . 2_666
Au8 Au3 Au6 114.46(2) . 2_666
S4 Au3 Au9 46.27(6) . .
Pt1 Au3 Au9 107.741(17) . .
Au2 Au3 Au9 166.076(17) . .
Au1 Au3 Au9 117.962(17) . .
Au4 Au3 Au9 61.107(14) . .
Au8 Au3 Au9 117.658(17) . .
Au6 Au3 Au9 58.815(14) 2_666 .
S4 Au3 Au5 116.89(6) . 2_666
Pt1 Au3 Au5 54.988(12) . 2_666
Au2 Au3 Au5 56.942(15) . 2_666
Au1 Au3 Au5 106.85(2) . 2_666
Au4 Au3 Au5 105.122(15) . 2_666
Au8 Au3 Au5 64.907(13) . 2_666
Au6 Au3 Au5 60.364(13) 2_666 2_666
Au9 Au3 Au5 111.159(17) . 2_666
S4 Au3 Au7 95.73(6) . .
Pt1 Au3 Au7 112.587(15) . .
Au2 Au3 Au7 63.028(14) . .
Au1 Au3 Au7 64.027(15) . .
Au4 Au3 Au7 120.222(19) . .
Au8 Au3 Au7 69.198(17) . .
Au6 Au3 Au7 168.035(17) 2_666 .
Au9 Au3 Au7 130.807(16) . .
Au5 Au3 Au7 114.592(16) 2_666 .
S7 Au4 Au6 140.25(6) . 2_666
S7 Au4 Pt1 158.88(6) . .
Au6 Au4 Pt1 59.466(11) 2_666 .
S7 Au4 Au5 99.83(6) . .
Au6 Au4 Au5 109.529(18) 2_666 .
Pt1 Au4 Au5 60.154(15) . .
S7 Au4 Au3 128.72(6) . .
Au6 Au4 Au3 66.976(14) 2_666 .
Pt1 Au4 Au3 59.100(11) . .
Au5 Au4 Au3 107.488(17) . .
S7 Au4 Au1 106.77(6) . .
Au6 Au4 Au1 111.083(17) 2_666 .
Pt1 Au4 Au1 58.565(13) . .
Au5 Au4 Au1 59.146(14) . .
Au3 Au4 Au1 57.465(15) . .
S7 Au4 Au2 120.29(6) . 2_666
Au6 Au4 Au2 59.369(14) 2_666 2_666
Pt1 Au4 Au2 57.621(14) . 2_666
Au5 Au4 Au2 59.552(16) . 2_666
Au3 Au4 Au2 110.951(17) . 2_666
Au1 Au4 Au2 106.225(18) . 2_666
S7 Au4 Au9 89.11(6) . .
Au6 Au4 Au9 63.464(15) 2_666 .
Pt1 Au4 Au9 110.751(17) . .
Au5 Au4 Au9 170.883(17) . .
Au3 Au4 Au9 64.904(13) . .
Au1 Au4 Au9 116.652(17) . .
Au2 Au4 Au9 117.257(19) 2_666 .
S7 Au4 Au10 80.83(6) . .
Au6 Au4 Au10 63.983(15) 2_666 .
Pt1 Au4 Au10 111.557(16) . .
Au5 Au4 Au10 111.465(16) . .
Au3 Au4 Au10 124.747(19) . .
Au1 Au4 Au10 168.359(17) . .
Au2 Au4 Au10 62.133(15) 2_666 .
Au9 Au4 Au10 71.516(15) . .
S7 Au4 Au11 46.61(6) . .
Au6 Au4 Au11 171.087(18) 2_666 .
Pt1 Au4 Au11 112.940(15) . .
Au5 Au4 Au11 61.563(14) . .
Au3 Au4 Au11 114.188(15) . .
Au1 Au4 Au11 64.906(14) . .
Au2 Au4 Au11 113.235(16) 2_666 .
Au9 Au4 Au11 125.349(17) . .
Au10 Au4 Au11 118.279(16) . .
S3 Au5 Au4 142.31(6) 2_666 .
S3 Au5 Pt1 144.66(6) 2_666 .
Au4 Au5 Pt1 59.713(12) . .
S3 Au5 Au1 145.60(6) 2_666 .
Au4 Au5 Au1 63.031(14) . .
Pt1 Au5 Au1 59.738(13) . .
S3 Au5 Au2 101.59(6) 2_666 2_666
Au4 Au5 Au2 63.861(14) . 2_666
Pt1 Au5 Au2 58.942(15) . 2_666
Au1 Au5 Au2 112.535(16) . 2_666
S3 Au5 Au11 99.35(6) 2_666 .
Au4 Au5 Au11 65.471(18) . .
Pt1 Au5 Au11 115.859(16) . .
Au1 Au5 Au11 67.574(14) . .
Au2 Au5 Au11 120.139(19) 2_666 .
S3 Au5 Au6 110.75(6) 2_666 .
Au4 Au5 Au6 106.503(17) . .
Pt1 Au5 Au6 54.495(11) . .
Au1 Au5 Au6 58.298(16) . .
Au2 Au5 Au6 103.079(16) 2_666 .
Au11 Au5 Au6 120.243(16) . .
S3 Au5 Au3 90.04(6) 2_666 2_666
Au4 Au5 Au3 105.044(19) . 2_666
Pt1 Au5 Au3 54.642(11) . 2_666
Au1 Au5 Au3 106.142(15) . 2_666
Au2 Au5 Au3 54.082(14) 2_666 2_666
Au11 Au5 Au3 170.091(17) . 2_666
Au6 Au5 Au3 58.208(12) . 2_666
S3 Au5 Au12 85.90(6) 2_666 .
Au4 Au5 Au12 116.006(16) . .
Pt1 Au5 Au12 109.041(18) . .
Au1 Au5 Au12 59.769(13) . .
Au2 Au5 Au12 166.998(16) 2_666 .
Au11 Au5 Au12 68.247(16) . .
Au6 Au5 Au12 64.113(14) . .
Au3 Au5 Au12 115.973(18) 2_666 .
S3 Au5 Au8 43.50(6) 2_666 2_666
Au4 Au5 Au8 120.742(17) . 2_666
Pt1 Au5 Au8 104.746(16) . 2_666
Au1 Au5 Au8 161.077(17) . 2_666
Au2 Au5 Au8 60.651(12) 2_666 2_666
Au11 Au5 Au8 131.348(16) . 2_666
Au6 Au5 Au8 104.555(19) . 2_666
Au3 Au5 Au8 55.124(12) 2_666 2_666
Au12 Au5 Au8 122.796(16) . 2_666
S9 Au6 Pt1 148.32(6) . .
S9 Au6 Au4 151.14(6) . 2_666
Pt1 Au6 Au4 60.358(14) . 2_666
S9 Au6 Au2 125.33(6) . .
Pt1 Au6 Au2 59.536(14) . .
Au4 Au6 Au2 64.268(15) 2_666 .
S9 Au6 Au1 94.57(6) . .
Pt1 Au6 Au1 58.780(14) . .
Au4 Au6 Au1 112.101(17) 2_666 .
Au2 Au6 Au1 61.027(15) . .
S9 Au6 Au9 92.56(6) . 2_666
Pt1 Au6 Au9 111.280(17) . 2_666
Au4 Au6 Au9 63.258(13) 2_666 2_666
Au2 Au6 Au9 121.409(17) . 2_666
Au1 Au6 Au9 168.095(17) . 2_666
S9 Au6 Au3 126.50(6) . 2_666
Pt1 Au6 Au3 56.233(12) . 2_666
Au4 Au6 Au3 57.765(14) 2_666 2_666
Au2 Au6 Au3 107.709(18) . 2_666
Au1 Au6 Au3 106.076(15) . 2_666
Au9 Au6 Au3 62.042(12) 2_666 2_666
S9 Au6 Au10 94.96(6) . 2_666
Pt1 Au6 Au10 111.940(16) . 2_666
Au4 Au6 Au10 63.589(13) 2_666 2_666
Au2 Au6 Au10 63.411(16) . 2_666
Au1 Au6 Au10 117.440(16) . 2_666
Au9 Au6 Au10 71.301(14) 2_666 2_666
Au3 Au6 Au10 116.228(18) 2_666 2_666
S9 Au6 Au5 96.07(6) . .
Pt1 Au6 Au5 55.600(12) . .
Au4 Au6 Au5 108.018(15) 2_666 .
Au2 Au6 Au5 104.492(19) . .
Au1 Au6 Au5 54.947(13) . .
Au9 Au6 Au5 114.797(17) 2_666 .
Au3 Au6 Au5 61.427(15) 2_666 .
Au10 Au6 Au5 167.094(17) 2_666 .
S1 Au7 S2 175.26(9) . .
S1 Au7 Au2 92.22(6) . .
S2 Au7 Au2 92.52(6) . .
S1 Au7 Au1 48.15(6) . .
S2 Au7 Au1 135.52(6) . .
Au2 Au7 Au1 54.941(11) . .
S1 Au7 Au3 97.32(6) . .
S2 Au7 Au3 85.55(6) . .
Au2 Au7 Au3 51.423(13) . .
Au1 Au7 Au3 51.077(13) . .
S3 Au8 S2 172.74(9) . .
S3 Au8 Au3 95.19(6) . .
S2 Au8 Au3 90.46(6) . .
S3 Au8 Au2 94.51(6) . .
S2 Au8 Au2 92.52(6) . .
Au3 Au8 Au2 53.155(13) . .
S3 Au8 Au5 44.58(6) . 2_666
S2 Au8 Au5 142.67(6) . 2_666
Au3 Au8 Au5 59.971(15) . 2_666
Au2 Au8 Au5 52.253(13) . 2_666
S4 Au9 S5 172.55(9) . .
S4 Au9 Au4 98.76(7) . .
S5 Au9 Au4 87.17(7) . .
S4 Au9 Au6 97.62(6) . 2_666
S5 Au9 Au6 89.54(7) . 2_666
Au4 Au9 Au6 53.279(16) . 2_666
S4 Au9 Au3 47.68(6) . .
S5 Au9 Au3 139.34(7) . .
Au4 Au9 Au3 53.988(14) . .
Au6 Au9 Au3 59.142(15) 2_666 .
S5 Au10 S6 173.26(8) . .
S5 Au10 Au4 86.12(6) . .
S6 Au10 Au4 98.33(6) . .
S5 Au10 Au6 88.33(6) . 2_666
S6 Au10 Au6 98.39(6) . 2_666
Au4 Au10 Au6 52.427(15) . 2_666
S5 Au10 Au2 137.69(6) . 2_666
S6 Au10 Au2 48.65(6) . 2_666
Au4 Au10 Au2 56.869(11) . 2_666
Au6 Au10 Au2 54.010(12) 2_666 2_666
S8 Au11 S7 171.96(8) . .
S8 Au11 Au5 92.63(6) . .
S7 Au11 Au5 94.12(6) . .
S8 Au11 Au4 139.18(6) . .
S7 Au11 Au4 48.84(6) . .
Au5 Au11 Au4 52.965(13) . .
S8 Au11 Au1 88.95(6) . .
S7 Au11 Au1 98.62(6) . .
Au5 Au11 Au1 52.684(12) . .
Au4 Au11 Au1 53.990(12) . .
S8 Au12 S9 172.21(9) . .
S8 Au12 Au1 95.25(7) . .
S9 Au12 Au1 92.46(6) . .
S8 Au12 Au5 88.67(6) . .
S9 Au12 Au5 95.06(6) . .
Au1 Au12 Au5 53.563(14) . .
Au6 Pt1 Au6 180.0 2_666 .
Au6 Pt1 Au4 119.824(16) 2_666 2_666
Au6 Pt1 Au4 60.176(15) . 2_666
Au6 Pt1 Au4 60.177(15) 2_666 .
Au6 Pt1 Au4 119.823(15) . .
Au4 Pt1 Au4 180.0 2_666 .
Au6 Pt1 Au3 111.690(14) 2_666 2_666
Au6 Pt1 Au3 68.311(14) . 2_666
Au4 Pt1 Au3 61.821(15) 2_666 2_666
Au4 Pt1 Au3 118.179(15) . 2_666
Au6 Pt1 Au3 68.310(14) 2_666 .
Au6 Pt1 Au3 111.690(14) . .
Au4 Pt1 Au3 118.179(15) 2_666 .
Au4 Pt1 Au3 61.821(15) . .
Au3 Pt1 Au3 180.0 2_666 .
Au6 Pt1 Au5 110.096(14) 2_666 .
Au6 Pt1 Au5 69.905(14) . .
Au4 Pt1 Au5 119.867(12) 2_666 .
Au4 Pt1 Au5 60.133(13) . .
Au3 Pt1 Au5 70.370(12) 2_666 .
Au3 Pt1 Au5 109.631(12) . .
Au6 Pt1 Au5 69.904(15) 2_666 2_666
Au6 Pt1 Au5 110.096(14) . 2_666
Au4 Pt1 Au5 60.133(13) 2_666 2_666
Au4 Pt1 Au5 119.867(12) . 2_666
Au3 Pt1 Au5 109.630(13) 2_666 2_666
Au3 Pt1 Au5 70.370(13) . 2_666
Au5 Pt1 Au5 180.0 . 2_666
Au6 Pt1 Au2 62.244(11) 2_666 2_666
Au6 Pt1 Au2 117.757(11) . 2_666
Au4 Pt1 Au2 114.809(12) 2_666 2_666
Au4 Pt1 Au2 65.192(11) . 2_666
Au3 Pt1 Au2 59.978(12) 2_666 2_666
Au3 Pt1 Au2 120.021(13) . 2_666
Au5 Pt1 Au2 62.153(13) . 2_666
Au5 Pt1 Au2 117.846(13) 2_666 2_666
Au6 Pt1 Au2 117.755(11) 2_666 .
Au6 Pt1 Au2 62.244(11) . .
Au4 Pt1 Au2 65.192(12) 2_666 .
Au4 Pt1 Au2 114.807(12) . .
Au3 Pt1 Au2 120.023(13) 2_666 .
Au3 Pt1 Au2 59.977(12) . .
Au5 Pt1 Au2 117.848(14) . .
Au5 Pt1 Au2 62.153(13) 2_666 .
Au2 Pt1 Au2 180.0 2_666 .
Au6 Pt1 Au1 63.961(15) 2_666 2_666
Au6 Pt1 Au1 116.039(15) . 2_666
Au4 Pt1 Au1 63.570(13) 2_666 2_666
Au4 Pt1 Au1 116.432(13) . 2_666
Au3 Pt1 Au1 59.915(12) 2_666 2_666
Au3 Pt1 Au1 120.085(12) . 2_666
Au5 Pt1 Au1 119.174(15) . 2_666
Au5 Pt1 Au1 60.825(15) 2_666 2_666
Au2 Pt1 Au1 63.675(11) 2_666 2_666
Au2 Pt1 Au1 116.326(11) . 2_666
Au6 Pt1 Au1 116.039(15) 2_666 .
Au6 Pt1 Au1 63.961(15) . .
Au4 Pt1 Au1 116.430(12) 2_666 .
Au4 Pt1 Au1 63.569(12) . .
Au3 Pt1 Au1 120.086(12) 2_666 .
Au3 Pt1 Au1 59.915(12) . .
Au5 Pt1 Au1 60.827(15) . .
Au5 Pt1 Au1 119.175(15) 2_666 .
Au2 Pt1 Au1 116.326(11) 2_666 .
Au2 Pt1 Au1 63.674(11) . .
Au1 Pt1 Au1 180.0 2_666 .
C1A S1 Au7 108.8(4) . .
C1A S1 Au1 109.4(3) . .
Au7 S1 Au1 86.01(8) . .
C2A S2 Au8 106.0(3) . .
C2A S2 Au7 108.9(3) . .
Au8 S2 Au7 100.93(9) . .
C3A S3 Au8 105.2(3) . .
C3A S3 Au5 104.6(3) . 2_666
Au8 S3 Au5 91.92(9) . 2_666
C4A S4 Au9 106.2(3) . .
C4A S4 Au3 104.5(3) . .
Au9 S4 Au3 86.05(8) . .
C5A S5 Au9 107.5(3) . .
C5A S5 Au10 106.4(3) . .
Au9 S5 Au10 103.46(10) . .
C6A S6 Au10 102.6(3) . .
C6A S6 Au2 105.5(3) . 2_666
Au10 S6 Au2 84.44(8) . 2_666
C7A S7 Au11 103.9(4) . .
C7A S7 Au4 107.9(3) . .
Au11 S7 Au4 84.55(8) . .
C8A S8 Au11 103.7(3) . .
C8A S8 Au12 105.0(3) . .
Au11 S8 Au12 99.52(9) . .
C9A S9 Au12 103.5(3) . .
C9A S9 Au6 103.5(3) . .
Au12 S9 Au6 93.51(9) . .
C1C Si1 C1B 110.1(6) . .
C1C Si1 C1D 110.1(6) . .
C1B Si1 C1D 109.0(7) . .
C1C Si1 C1A 109.8(5) . .
C1B Si1 C1A 110.2(5) . .
C1D Si1 C1A 107.7(5) . .
C2B Si2 C2C 109.0(5) . .
C2B Si2 C2D 110.1(5) . .
C2C Si2 C2D 111.6(5) . .
C2B Si2 C2A 111.5(4) . .
C2C Si2 C2A 107.0(5) . .
C2D Si2 C2A 107.6(4) . .
C3B Si3 C3C 110.7(6) . .
C3B Si3 C3D 111.2(7) . .
C3C Si3 C3D 109.4(7) . .
C3B Si3 C3A 109.8(5) . .
C3C Si3 C3A 111.0(5) . .
C3D Si3 C3A 104.7(5) . .
C4B Si4 C4C 110.7(15) . .
C4B Si4 C4D 109.6(10) . .
C4C Si4 C4D 111.8(15) . .
C4B Si4 C4A 112.0(9) . .
C4C Si4 C4A 104.2(12) . .
C4D Si4 C4A 108.5(8) . .
C4A Si4B C4DB 106.5(13) . .
C4A Si4B C4BB 106.9(17) . .
C4DB Si4B C4BB 110.7(19) . .
C4A Si4B C4CB 112(3) . .
C4DB Si4B C4CB 111(3) . .
C4BB Si4B C4CB 110(3) . .
C5C Si5 C5D 111.1(5) . .
C5C Si5 C5B 109.3(5) . .
C5D Si5 C5B 111.6(5) . .
C5C Si5 C5A 108.3(5) . .
C5D Si5 C5A 106.0(4) . .
C5B Si5 C5A 110.4(5) . .
C6C Si6 C6D 111.2(5) . .
C6C Si6 C6B 110.3(5) . .
C6D Si6 C6B 108.9(5) . .
C6C Si6 C6A 109.7(4) . .
C6D Si6 C6A 109.9(4) . .
C6B Si6 C6A 106.8(4) . .
C8D Si8 C8C 110.5(5) . .
C8D Si8 C8B 110.5(5) . .
C8C Si8 C8B 108.5(5) . .
C8D Si8 C8A 111.9(5) . .
C8C Si8 C8A 108.6(5) . .
C8B Si8 C8A 106.7(5) . .
C9D Si9 C9B 108.6(6) . .
C9D Si9 C9C 109.0(5) . .
C9B Si9 C9C 111.9(5) . .
C9D Si9 C9A 107.0(4) . .
C9B Si9 C9A 112.1(5) . .
C9C Si9 C9A 108.1(5) . .
S1 C1A Si1 114.5(5) . .
S2 C2A Si2 111.3(5) . .
S3 C3A Si3 116.3(5) . .
Si4B C4A S4 118.5(7) . .
S4 C4A Si4 107.9(6) . .
S5 C5A Si5 112.0(5) . .
S6 C6A Si6 112.6(5) . .
Si7B C7A S7 119.7(6) . .
S7 C7A Si7 112.4(5) . .
C7B Si7 C7D 110.4(10) . .
C7B Si7 C7A 112.0(7) . .
C7D Si7 C7A 107.6(6) . .
C7B Si7 C7C 109.1(9) . .
C7D Si7 C7C 111.4(10) . .
C7A Si7 C7C 106.3(7) . .
C7A Si7B C7DB 107.2(8) . .
C7A Si7B C7BB 109.0(10) . .
C7DB Si7B C7BB 111.6(13) . .
C7A Si7B C7CB 109.1(9) . .
C7DB Si7B C7CB 111.4(12) . .
C7BB Si7B C7CB 108.4(12) . .
S8 C8A Si8 117.0(5) . .
S9 C9A Si9 110.9(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 S1 2.394(2) .
Au1 Au3 2.7743(6) .
Au1 Pt1 2.7880(5) .
Au1 Au5 2.8184(6) .
Au1 Au4 2.9260(6) .
Au1 Au6 2.9292(7) .
Au1 Au2 2.9374(6) .
Au1 Au12 3.0268(6) .
Au1 Au7 3.2058(7) .
Au1 Au11 3.2758(6) .
Au2 S6 2.379(2) 2_666
Au2 Au3 2.7731(6) .
Au2 Pt1 2.7805(5) .
Au2 Au6 2.8546(6) .
Au2 Au5 2.8699(6) 2_666
Au2 Au4 2.9885(6) 2_666
Au2 Au10 3.1549(7) 2_666
Au2 Au7 3.1614(6) .
Au2 Au8 3.1635(6) .
Au3 S4 2.359(3) .
Au3 Pt1 2.7676(5) .
Au3 Au4 2.8431(6) .
Au3 Au8 3.0287(6) .
Au3 Au6 3.0934(6) 2_666
Au3 Au9 3.1830(6) .
Au3 Au5 3.1963(6) 2_666
Au3 Au7 3.2291(6) .
Au4 S7 2.395(2) .
Au4 Au6 2.7620(7) 2_666
Au4 Pt1 2.7670(5) .
Au4 Au5 2.7788(6) .
Au4 Au9 3.0773(6) .
Au4 Au10 3.1212(6) .
Au4 Au11 3.1668(7) .
Au5 S3 2.348(2) 2_666
Au5 Pt1 2.7794(5) .
Au5 Au11 3.0610(6) .
Au5 Au6 3.1634(6) .
Au5 Au12 3.2168(6) .
Au5 Au8 3.3434(6) 2_666
Au6 S9 2.335(2) .
Au6 Pt1 2.7422(5) .
Au6 Au9 3.0829(7) 2_666
Au6 Au10 3.1317(6) 2_666
Au7 S1 2.305(2) .
Au7 S2 2.308(2) .
Au8 S3 2.303(2) .
Au8 S2 2.305(2) .
Au9 S4 2.306(2) .
Au9 S5 2.307(2) .
Au10 S5 2.307(3) .
Au10 S6 2.315(2) .
Au11 S8 2.307(3) .
Au11 S7 2.312(3) .
Au12 S8 2.310(2) .
Au12 S9 2.314(2) .
S1 C1A 1.818(10) .
S2 C2A 1.815(9) .
S3 C3A 1.814(9) .
S4 C4A 1.851(10) .
S5 C5A 1.822(10) .
S6 C6A 1.837(9) .
S7 C7A 1.822(9) .
S8 C8A 1.812(9) .
S9 C9A 1.829(9) .
Si1 C1C 1.838(11) .
Si1 C1B 1.845(13) .
Si1 C1D 1.863(12) .
Si1 C1A 1.895(9) .
Si2 C2B 1.860(10) .
Si2 C2C 1.862(9) .
Si2 C2D 1.871(10) .
Si2 C2A 1.919(9) .
Si3 C3B 1.838(11) .
Si3 C3C 1.847(11) .
Si3 C3D 1.862(13) .
Si3 C3A 1.878(10) .
Si4 C4B 1.842(14) .
Si4 C4C 1.870(15) .
Si4 C4D 1.879(14) .
Si4 C4A 1.946(15) .
Si4B C4A 1.82(2) .
Si4B C4DB 1.847(17) .
Si4B C4BB 1.850(18) .
Si4B C4CB 1.866(19) .
Si5 C5C 1.857(10) .
Si5 C5D 1.871(11) .
Si5 C5B 1.877(10) .
Si5 C5A 1.881(9) .
Si6 C6C 1.857(10) .
Si6 C6D 1.858(10) .
Si6 C6B 1.882(10) .
Si6 C6A 1.895(9) .
Si8 C8D 1.848(11) .
Si8 C8C 1.865(10) .
Si8 C8B 1.874(10) .
Si8 C8A 1.893(9) .
Si9 C9D 1.840(10) .
Si9 C9B 1.856(10) .
Si9 C9C 1.863(10) .
Si9 C9A 1.905(9) .
C7A Si7B 1.783(16) .
C7A Si7 1.888(12) .
Si7 C7B 1.841(13) .
Si7 C7D 1.881(13) .
Si7 C7C 1.898(13) .
Si7B C7DB 1.866(15) .
Si7B C7BB 1.866(15) .
Si7B C7CB 1.873(15) .
