#------------------------------------------------------------------------------
#$Date: 2019-11-03 12:54:19 +0200 (Sun, 03 Nov 2019) $
#$Revision: 221457 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/83/4128334.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_4128334
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            'C115 H206 Au24 Pt S18'
_chemical_formula_weight         7088.15
_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                111.431(3)
_cell_angle_beta                 116.420(2)
_cell_angle_gamma                94.089(2)
_cell_formula_units_Z            1
_cell_length_a                   16.139(6)
_cell_length_b                   16.956(6)
_cell_length_c                   17.758(7)
_cell_measurement_reflns_used    9911
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      2.1
_cell_volume                     3888(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_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  0.0806
_diffrn_reflns_av_unetI/netI     0.0907
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            46996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.359
_diffrn_reflns_theta_min         2.252
_diffrn_source                   'Rotating anode'
_exptl_absorpt_coefficient_mu    23.707
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.545
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   DTABSCOR
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    3.027
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             3158
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.608
_refine_diff_density_min         -3.285
_refine_diff_density_rms         0.359
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     770
_refine_ls_number_reflns         14202
_refine_ls_number_restraints     692
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0518
_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)+(0.0470P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1107
_refine_ls_wR_factor_ref         0.1187
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11185
_reflns_number_total             14202
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b08055_si_002.cif
_cod_data_source_block           shelxs_sq
_cod_database_code               4128334
_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 -0.00664(4) 0.46992(4) 0.14083(4) 0.02845(15) Uani 1 1 d . . . . .
Au2 Au 0.15246(4) 0.60281(4) 0.18152(4) 0.02562(14) Uani 1 1 d . . . . .
Au3 Au 0.12481(4) 0.41390(4) 0.08331(4) 0.02719(14) Uani 1 1 d . . . . .
Au4 Au -0.08782(4) 0.33072(4) -0.03832(4) 0.02640(14) Uani 1 1 d . . . . .
Au5 Au -0.18616(4) 0.46663(4) -0.03240(4) 0.03096(15) Uani 1 1 d . . . . .
Au6 Au -0.02110(4) 0.64918(4) 0.11755(4) 0.02545(14) Uani 1 1 d . . . . .
Au7 Au 0.07492(4) 0.66489(4) 0.32354(4) 0.02803(15) Uani 1 1 d . . . . .
Au8 Au 0.16339(4) 0.80715(4) 0.25784(4) 0.02713(15) Uani 1 1 d . . . . .
Au9 Au 0.02868(5) 0.27731(4) 0.12107(4) 0.04474(19) Uani 1 1 d . . . . .
Au10 Au -0.19159(5) 0.33144(4) 0.06610(4) 0.03813(17) Uani 1 1 d . . . . .
Au11 Au -0.25389(4) 0.63135(4) 0.01175(4) 0.03641(17) Uani 1 1 d . . . . .
Au12 Au 0.34380(5) 0.53790(4) 0.21991(5) 0.04566(19) Uani 1 1 d . . . . .
Pt1 Pt 0.000000 0.500000 0.000000 0.01899(17) Uani 1 2 d S . P . .
S1 S 0.0218(3) 0.5215(3) 0.2946(2) 0.0319(9) Uani 1 1 d . . . . .
S2 S 0.1180(3) 0.8139(2) 0.3649(3) 0.0296(9) Uani 1 1 d . . . . .
S3 S 0.2150(3) 0.8015(3) 0.1553(3) 0.0448(12) Uani 1 1 d . . . . .
S4 S 0.1836(3) 0.3138(3) 0.1467(3) 0.0428(11) Uani 1 1 d . . . . .
S5 S -0.1152(4) 0.2322(3) 0.1116(3) 0.0491(12) Uani 1 1 d . . . . .
S6 S -0.2746(3) 0.4299(3) 0.0308(3) 0.0404(11) Uani 1 1 d . . . . .
S7 S -0.1252(3) 0.7170(3) 0.1625(3) 0.0304(9) Uani 1 1 d . . . . .
S8 S 0.2987(3) 0.6293(3) 0.3195(3) 0.0532(13) Uani 1 1 d . . . . .
S9 S 0.3970(3) 0.4456(3) 0.1300(3) 0.0507(13) Uani 1 1 d . . . . .
C1A C -0.0924(11) 0.5142(9) 0.2943(10) 0.035(3) Uani 1 1 d . . . . .
H1A H -0.135545 0.453414 0.246595 0.042 Uiso 1 1 calc R U . . .
C1B C -0.0718(12) 0.5221(10) 0.3898(10) 0.041(4) Uani 1 1 d . . . . .
H1B1 H -0.040370 0.476803 0.402599 0.049 Uiso 1 1 calc R U . . .
H1B2 H -0.027588 0.581002 0.439744 0.049 Uiso 1 1 calc R U . . .
C1C C -0.1656(12) 0.5095(12) 0.3899(11) 0.052(4) Uani 1 1 d . . . . .
H1C1 H -0.205415 0.447787 0.345765 0.063 Uiso 1 1 calc R U . . .
H1C2 H -0.151252 0.519297 0.453424 0.063 Uiso 1 1 calc R U . . .
C1D C -0.2226(13) 0.5707(12) 0.3625(11) 0.056(4) Uani 1 1 d . . . . .
H1D1 H -0.284928 0.556583 0.359487 0.067 Uiso 1 1 calc R U . . .
H1D2 H -0.186647 0.632429 0.410333 0.067 Uiso 1 1 calc R U . . .
C1E C -0.2401(11) 0.5612(12) 0.2708(11) 0.051(5) Uani 1 1 d . . . . .
H1E1 H -0.274285 0.604227 0.255328 0.061 Uiso 1 1 calc R U . . .
H1E2 H -0.282237 0.501206 0.222081 0.061 Uiso 1 1 calc R U . . .
C1F C -0.1451(10) 0.5765(10) 0.2694(11) 0.036(3) Uani 1 1 d . . . . .
H1F1 H -0.159729 0.567874 0.206104 0.043 Uiso 1 1 calc R U . . .
H1F2 H -0.104590 0.637848 0.314779 0.043 Uiso 1 1 calc R U . . .
C2A C 0.2251(15) 0.8689(12) 0.4860(11) 0.057(4) Uani 1 1 d . U . . .
H2A H 0.278547 0.842412 0.486062 0.069 Uiso 1 1 calc R U . A 1
C2BA C 0.253(2) 0.9603(18) 0.5047(18) 0.070(5) Uani 0.7 1 d . U P B 1
H2B1 H 0.195313 0.982902 0.489132 0.085 Uiso 0.7 1 calc R U P B 1
H2B2 H 0.278576 0.964428 0.464732 0.085 Uiso 0.7 1 calc R U P B 1
C2BB C 0.216(5) 0.933(4) 0.565(4) 0.068(5) Uani 0.3 1 d . U P B 2
H2BB H 0.155764 0.952585 0.546842 0.081 Uiso 0.6 1 calc R U P B 2
C2C C 0.3318(16) 1.0184(14) 0.6118(13) 0.089(4) Uani 1 1 d D U . . .
H2C1 H 0.395429 1.009728 0.622626 0.107 Uiso 1 1 calc R U . B 1
H2C2 H 0.336224 1.081616 0.628523 0.107 Uiso 1 1 calc R U . B 1
C2D C 0.3051(16) 0.9918(13) 0.6741(13) 0.081(4) Uani 1 1 d D U . . .
H2D1 H 0.357946 1.026908 0.739939 0.097 Uiso 1 1 calc R U . B 1
H2D2 H 0.246853 1.010281 0.669490 0.097 Uiso 1 1 calc R U . B 1
C2EA C 0.287(3) 0.904(2) 0.657(2) 0.064(5) Uani 0.6 1 d . U P B 1
H2E1 H 0.269676 0.895272 0.701053 0.076 Uiso 0.6 1 calc R U P B 1
H2E2 H 0.344497 0.882148 0.663504 0.076 Uiso 0.6 1 calc R U P B 1
C2EB C 0.359(4) 0.870(3) 0.623(3) 0.072(7) Uani 0.4 1 d . U P B 2
H2E3 H 0.419930 0.888819 0.624929 0.108 Uiso 0.4 1 calc R U P B 2
H2E4 H 0.370593 0.839409 0.662887 0.108 Uiso 0.4 1 calc R U P B 2
C2FA C 0.201(2) 0.8544(18) 0.5536(16) 0.060(4) Uani 0.7 1 d . U P B 1
H2F1 H 0.183567 0.790354 0.535319 0.072 Uiso 0.7 1 calc R U P B 1
H2F2 H 0.144389 0.875698 0.549854 0.072 Uiso 0.7 1 calc R U P B 1
C2FB C 0.278(5) 0.807(4) 0.519(4) 0.062(6) Uani 0.3 1 d . U P B 2
H2F3 H 0.305545 0.777966 0.480015 0.075 Uiso 0.3 1 calc R U P B 2
H2F4 H 0.234075 0.761062 0.516829 0.075 Uiso 0.3 1 calc R U P B 2
C3A C 0.2128(19) 0.9032(15) 0.1373(16) 0.087(5) Uani 1 1 d . U . . .
H3A H 0.217822 0.887019 0.079669 0.105 Uiso 1 1 calc R U . C 1
C3BA C 0.127(3) 0.918(2) 0.112(2) 0.091(6) Uani 0.7 1 d . U P D 1
H3B1 H 0.114073 0.930926 0.164506 0.109 Uiso 0.7 1 calc R U P D 1
H3B2 H 0.076469 0.864806 0.057368 0.109 Uiso 0.7 1 calc R U P D 1
C3BB C 0.196(6) 0.985(5) 0.216(5) 0.092(6) Uani 0.3 1 d . U P D 2
H3B3 H 0.254710 1.034314 0.267731 0.137 Uiso 0.3 1 calc R U P D 2
H3B4 H 0.156029 0.965386 0.238406 0.137 Uiso 0.3 1 calc R U P D 2
C3C C 0.1206(19) 0.9958(15) 0.0877(16) 0.109(6) Uani 1 1 d . U . . .
H3C1 H 0.060293 1.011439 0.079763 0.130 Uiso 1 1 calc R U . D 1
H3C2 H 0.120150 0.979433 0.027933 0.130 Uiso 1 1 calc R U . D 1
C3D C 0.2093(19) 1.0763(16) 0.1683(17) 0.107(6) Uani 1 1 d . U . . .
H3D1 H 0.206982 1.125611 0.150829 0.128 Uiso 1 1 calc R U . E 1
H3D2 H 0.204968 1.095938 0.225880 0.128 Uiso 1 1 calc R U . E 1
C3EA C 0.291(3) 1.0594(19) 0.186(2) 0.096(6) Uani 0.7 1 d D U P D 1
H3E1 H 0.343281 1.111809 0.240742 0.115 Uiso 0.7 1 calc R U P D 1
H3E2 H 0.299137 1.047750 0.131742 0.115 Uiso 0.7 1 calc R U P D 1
C3FA C 0.299(3) 0.9740(19) 0.210(2) 0.093(6) Uani 0.7 1 d D U P D 1
H3F1 H 0.356317 0.955981 0.210860 0.112 Uiso 0.7 1 calc R U P D 1
H3F2 H 0.305199 0.989364 0.271687 0.112 Uiso 0.7 1 calc R U P D 1
C3EB C 0.271(6) 1.016(5) 0.110(5) 0.093(6) Uani 0.3 1 d . U P D 2
H3E3 H 0.232138 0.992856 0.041451 0.111 Uiso 0.3 1 calc R U P D 2
H3E4 H 0.334889 1.054019 0.133269 0.111 Uiso 0.3 1 calc R U P D 2
C3FB C 0.284(6) 0.938(5) 0.139(5) 0.088(6) Uani 0.3 1 d . U P D 2
H3F3 H 0.297156 0.892444 0.095257 0.105 Uiso 0.3 1 calc R U P D 2
H3F4 H 0.340062 0.960738 0.202618 0.105 Uiso 0.3 1 calc R U P D 2
C4A C 0.2579(13) 0.3754(11) 0.2758(10) 0.044(5) Uani 1 1 d . . . . .
H4A H 0.316214 0.416438 0.290085 0.053 Uiso 1 1 calc R U . . .
C4B C 0.2937(14) 0.3080(13) 0.3141(11) 0.064(6) Uani 1 1 d . . . . .
H4B1 H 0.238548 0.265796 0.302266 0.076 Uiso 1 1 calc R U . . .
H4B2 H 0.325995 0.274361 0.282581 0.076 Uiso 1 1 calc R U . . .
C4C C 0.3647(16) 0.3604(16) 0.4199(13) 0.092(8) Uani 1 1 d . . . . .
H4C1 H 0.386978 0.318880 0.446772 0.110 Uiso 1 1 calc R U . . .
H4C2 H 0.421608 0.399094 0.430580 0.110 Uiso 1 1 calc R U . . .
C4D C 0.3181(15) 0.4167(14) 0.4700(11) 0.067(6) Uani 1 1 d . . . . .
H4D1 H 0.365450 0.449764 0.538018 0.081 Uiso 1 1 calc R U . . .
H4D2 H 0.262698 0.378097 0.461779 0.081 Uiso 1 1 calc R U . . .
C4E C 0.2837(13) 0.4815(12) 0.4294(11) 0.057(5) Uani 1 1 d . . . . .
H4E1 H 0.251599 0.516622 0.460189 0.069 Uiso 1 1 calc R U . . .
H4E2 H 0.339471 0.522636 0.440888 0.069 Uiso 1 1 calc R U . . .
C4F C 0.2136(12) 0.4297(12) 0.3247(11) 0.051(5) Uani 1 1 d . . . . .
H4F1 H 0.156777 0.390870 0.314149 0.062 Uiso 1 1 calc R U . . .
H4F2 H 0.191109 0.471174 0.297981 0.062 Uiso 1 1 calc R U . . .
C5A C -0.0805(13) 0.2734(11) 0.2363(10) 0.053(4) Uani 1 1 d . . . . .
H5A H -0.051275 0.338748 0.268987 0.064 Uiso 1 1 calc R U . . .
C5B C -0.1713(14) 0.2526(13) 0.2431(11) 0.063(5) Uani 1 1 d . . . . .
H5B1 H -0.205584 0.188871 0.204374 0.076 Uiso 1 1 calc R U . . .
H5B2 H -0.215662 0.286166 0.219269 0.076 Uiso 1 1 calc R U . . .
C5C C -0.1399(15) 0.2788(12) 0.3474(11) 0.069(5) Uani 1 1 d . . . . .
H5C1 H -0.196871 0.260008 0.351207 0.083 Uiso 1 1 calc R U . . .
H5C2 H -0.114662 0.343801 0.383727 0.083 Uiso 1 1 calc R U . . .
C5D C -0.0613(16) 0.2360(13) 0.3920(12) 0.077(6) Uani 1 1 d . . . . .
H5D1 H -0.039954 0.258079 0.459463 0.092 Uiso 1 1 calc R U . . .
H5D2 H -0.089062 0.171240 0.361241 0.092 Uiso 1 1 calc R U . . .
C5E C 0.0239(16) 0.2569(13) 0.3819(13) 0.079(6) Uani 1 1 d . . . . .
H5E1 H 0.070607 0.225806 0.407574 0.095 Uiso 1 1 calc R U . . .
H5E2 H 0.056169 0.321104 0.418945 0.095 Uiso 1 1 calc R U . . .
C5F C -0.0048(14) 0.2298(11) 0.2805(11) 0.059(5) Uani 1 1 d . U . . .
H5F1 H -0.031315 0.164810 0.244508 0.071 Uiso 1 1 calc R U . . .
H5F2 H 0.052854 0.247087 0.277107 0.071 Uiso 1 1 calc R U . . .
C6A C -0.3972(12) 0.3693(14) -0.0634(13) 0.061(4) Uani 1 1 d . U . . .
H6A H -0.415094 0.382296 -0.118412 0.074 Uiso 1 1 calc R U . F 1
C6CA C -0.5259(18) 0.219(2) -0.1693(19) 0.072(5) Uani 0.7 1 d . U P G 1
H6C1 H -0.534270 0.218998 -0.227862 0.086 Uiso 0.7 1 calc R U P G 1
H6C2 H -0.537397 0.156256 -0.180481 0.086 Uiso 0.7 1 calc R U P G 1
C6BA C -0.4194(17) 0.2657(19) -0.0933(18) 0.064(5) Uani 0.7 1 d . U P G 1
H6B1 H -0.377753 0.240935 -0.117639 0.077 Uiso 0.7 1 calc R U P G 1
H6B2 H -0.404639 0.255619 -0.037715 0.077 Uiso 0.7 1 calc R U P G 1
C6CB C -0.527(4) 0.294(5) -0.205(4) 0.074(5) Uani 0.3 1 d . U P G 2
H6C3 H -0.548588 0.252833 -0.270837 0.089 Uiso 0.3 1 calc R U P G 2
H6C4 H -0.543337 0.349763 -0.204010 0.089 Uiso 0.3 1 calc R U P G 2
C6BB C -0.424(4) 0.312(5) -0.145(4) 0.067(5) Uani 0.3 1 d . U P G 2
H6B3 H -0.408724 0.256522 -0.143456 0.080 Uiso 0.3 1 calc R U P G 2
H6B4 H -0.388844 0.332998 -0.171207 0.080 Uiso 0.3 1 calc R U P G 2
C6D C -0.5893(14) 0.2444(13) -0.1585(14) 0.082(5) Uani 1 1 d D U . . .
H6D1 H -0.606798 0.214023 -0.127283 0.098 Uiso 1 1 calc R U . G 1
H6D2 H -0.646492 0.225311 -0.221396 0.098 Uiso 1 1 calc R U . G 1
C6E C -0.5694(13) 0.3438(14) -0.1021(14) 0.090(5) Uani 1 1 d D U . . .
H6E1 H -0.607855 0.353619 -0.070654 0.107 Uiso 1 1 calc R U . . .
H6E2 H -0.589789 0.371506 -0.145418 0.107 Uiso 1 1 calc R U . . .
C6F C -0.4608(12) 0.3880(15) -0.0273(14) 0.083(5) Uani 1 1 d . U . . .
H6F1 H -0.449864 0.452749 0.002397 0.099 Uiso 1 1 calc R U . . .
H6F2 H -0.444135 0.368094 0.022257 0.099 Uiso 1 1 calc R U . . .
C7A C -0.1079(11) 0.8293(9) 0.1701(10) 0.032(4) Uani 1 1 d . . . . .
H7A H -0.044939 0.867791 0.227956 0.038 Uiso 1 1 calc R U . . .
C7B C -0.1047(11) 0.8298(10) 0.0856(10) 0.036(4) Uani 1 1 d . . . . .
H7B1 H -0.165272 0.789856 0.027184 0.043 Uiso 1 1 calc R U . . .
H7B2 H -0.050506 0.807859 0.082520 0.043 Uiso 1 1 calc R U . . .
C7C C -0.0916(13) 0.9254(11) 0.0936(11) 0.048(5) Uani 1 1 d . . . . .
H7C1 H -0.029514 0.965205 0.150090 0.058 Uiso 1 1 calc R U . . .
H7C2 H -0.092002 0.925247 0.037682 0.058 Uiso 1 1 calc R U . . .
C7D C -0.1745(13) 0.9559(11) 0.1006(10) 0.053(5) Uani 1 1 d . . . . .
H7D1 H -0.169564 1.015387 0.102827 0.064 Uiso 1 1 calc R U . . .
H7D2 H -0.235611 0.915455 0.043247 0.064 Uiso 1 1 calc R U . . .
C7E C -0.1780(13) 0.9597(11) 0.1822(11) 0.051(5) Uani 1 1 d . . . . .
H7E1 H -0.233747 0.980265 0.182634 0.061 Uiso 1 1 calc R U . . .
H7E2 H -0.118570 1.002237 0.240231 0.061 Uiso 1 1 calc R U . . .
C7F C -0.1875(10) 0.8658(10) 0.1799(10) 0.035(4) Uani 1 1 d . . . . .
H7F1 H -0.183730 0.869982 0.238501 0.042 Uiso 1 1 calc R U . . .
H7F2 H -0.250905 0.825244 0.126477 0.042 Uiso 1 1 calc R U . . .
C8A C 0.3711(17) 0.7432(15) 0.3786(17) 0.112(7) Uani 1 1 d . U . . .
H8A H 0.329466 0.782284 0.387860 0.134 Uiso 1 1 calc R U . . .
C8B C 0.4571(16) 0.7717(15) 0.4661(17) 0.129(7) Uani 1 1 d . U . . .
H8B1 H 0.496766 0.731866 0.455273 0.155 Uiso 1 1 calc R U . . .
H8B2 H 0.438377 0.760295 0.508037 0.155 Uiso 1 1 calc R U . . .
C8C C 0.5231(17) 0.8647(15) 0.5214(17) 0.125(7) Uani 1 1 d . U . . .
H8C1 H 0.493966 0.905940 0.550709 0.149 Uiso 1 1 calc R U . . .
H8C2 H 0.585910 0.867645 0.571648 0.149 Uiso 1 1 calc R U . . .
C8D C 0.5365(18) 0.8881(16) 0.4550(17) 0.126(7) Uani 1 1 d . U . . .
H8D1 H 0.560543 0.953312 0.485123 0.151 Uiso 1 1 calc R U . . .
H8D2 H 0.589426 0.865095 0.450058 0.151 Uiso 1 1 calc R U . . .
C8E C 0.4585(16) 0.8616(15) 0.3590(16) 0.122(7) Uani 1 1 d . U . . .
H8E1 H 0.484995 0.870216 0.320954 0.147 Uiso 1 1 calc R U . . .
H8E2 H 0.412831 0.897556 0.359175 0.147 Uiso 1 1 calc R U . . .
C8F C 0.4061(16) 0.7621(15) 0.3170(17) 0.116(7) Uani 1 1 d . U . . .
H8F1 H 0.349956 0.743452 0.253599 0.139 Uiso 1 1 calc R U . . .
H8F2 H 0.450605 0.726458 0.310417 0.139 Uiso 1 1 calc R U . . .
C9A C 0.4250(12) 0.3625(11) 0.1743(12) 0.055(4) Uani 1 1 d . U . . .
H9A H 0.372610 0.342344 0.184275 0.066 Uiso 1 1 calc R U . . .
C9B C 0.4362(13) 0.2825(11) 0.1063(13) 0.055(4) Uani 1 1 d . U . . .
H9B1 H 0.373859 0.251583 0.046606 0.066 Uiso 1 1 calc R U . . .
H9B2 H 0.484284 0.302903 0.092327 0.066 Uiso 1 1 calc R U . . .
C9C C 0.4681(13) 0.2191(12) 0.1479(13) 0.065(4) Uani 1 1 d . U . . .
H9C1 H 0.418322 0.196073 0.158626 0.078 Uiso 1 1 calc R U . . .
H9C2 H 0.475504 0.168556 0.103289 0.078 Uiso 1 1 calc R U . . .
C9D C 0.5625(15) 0.2645(13) 0.2395(14) 0.087(5) Uani 1 1 d . U . . .
H9D1 H 0.582754 0.221795 0.265025 0.105 Uiso 1 1 calc R U . . .
H9D2 H 0.612658 0.286211 0.228494 0.105 Uiso 1 1 calc R U . . .
C9E C 0.5531(16) 0.3406(14) 0.3093(15) 0.099(6) Uani 1 1 d . U . . .
H9E1 H 0.615918 0.369792 0.368724 0.119 Uiso 1 1 calc R U . . .
H9E2 H 0.505364 0.318599 0.322812 0.119 Uiso 1 1 calc R U . . .
C9F C 0.5196(14) 0.4108(13) 0.2693(14) 0.093(6) Uani 1 1 d . U . . .
H9F1 H 0.509411 0.458738 0.313941 0.111 Uiso 1 1 calc R U . . .
H9F2 H 0.569855 0.437164 0.261157 0.111 Uiso 1 1 calc R U . . .
C10A C 0.1702(12) 1.1256(12) 0.4596(11) 0.034(7) Uiso 0.5 1 d G . P . .
C10B C 0.2158(11) 1.1900(11) 0.5521(11) 0.026(7) Uiso 0.5 1 d DG . P . .
H10B H 0.276679 1.229749 0.578899 0.031 Uiso 0.5 1 calc R U P . .
C10C C 0.1722(13) 1.1961(12) 0.6054(10) 0.057(10) Uiso 0.5 1 d G . P . .
H10C H 0.203405 1.240120 0.668700 0.068 Uiso 0.5 1 calc R U P . .
C10D C 0.0831(14) 1.1379(14) 0.5662(13) 0.031(7) Uiso 0.5 1 d G . P . .
H10D H 0.053359 1.142138 0.602704 0.037 Uiso 0.5 1 calc R U P . .
C10E C 0.0375(11) 1.0736(13) 0.4737(14) 0.091(15) Uiso 0.5 1 d G . P . .
H10E H -0.023413 1.033781 0.446907 0.110 Uiso 0.5 1 calc R U P . .
C10F C 0.0810(12) 1.0674(11) 0.4204(10) 0.037(8) Uiso 0.5 1 d DG . P . .
H10F H 0.049860 1.023409 0.357103 0.045 Uiso 0.5 1 calc R U P . .
C10G C 0.211(2) 1.119(2) 0.4001(18) 0.059(10) Uiso 0.5 1 d D . P . .
H10A H 0.167743 1.069551 0.337917 0.088 Uiso 0.5 1 calc R U P . .
H10G H 0.217360 1.173834 0.394156 0.088 Uiso 0.5 1 calc R U P . .
H10H H 0.273985 1.108607 0.428020 0.088 Uiso 0.5 1 calc R U P . .
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'
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 Pt1 150.84(10) . .
S1 Au1 Au4 148.49(10) . .
Pt1 Au1 Au4 60.49(3) . .
S1 Au1 Au3 125.48(10) . .
Pt1 Au1 Au3 59.581(19) . .
Au4 Au1 Au3 64.35(3) . .
S1 Au1 Au2 97.20(10) . .
Pt1 Au1 Au2 58.305(17) . .
Au4 Au1 Au2 111.93(3) . .
Au3 Au1 Au2 61.11(3) . .
S1 Au1 Au10 90.95(10) . .
Pt1 Au1 Au10 112.34(3) . .
Au4 Au1 Au10 61.46(2) . .
Au3 Au1 Au10 117.84(4) . .
Au2 Au1 Au10 170.29(3) . .
S1 Au1 Au5 126.88(10) . .
Pt1 Au1 Au5 55.55(3) . .
Au4 Au1 Au5 58.08(3) . .
Au3 Au1 Au5 107.42(4) . .
Au2 Au1 Au5 104.71(3) . .
Au10 Au1 Au5 65.96(3) . .
S1 Au1 Au6 99.07(10) . .
Pt1 Au1 Au6 54.762(14) . .
Au4 Au1 Au6 107.50(3) . .
Au3 Au1 Au6 103.74(2) . .
Au2 Au1 Au6 54.13(3) . .
Au10 Au1 Au6 119.42(3) . .
Au5 Au1 Au6 60.53(2) . .
S1 Au1 Au9 95.47(10) . .
Pt1 Au1 Au9 109.23(2) . .
Au4 Au1 Au9 61.38(3) . .
Au3 Au1 Au9 61.17(2) . .
Au2 Au1 Au9 116.55(3) . .
Au10 Au1 Au9 67.62(3) . .
Au5 Au1 Au9 115.53(2) . .
Au6 Au1 Au9 163.59(3) . .
S1 Au1 Au7 44.17(10) . .
Pt1 Au1 Au7 106.70(4) . .
Au4 Au1 Au7 165.53(3) . .
Au3 Au1 Au7 116.62(3) . .
Au2 Au1 Au7 60.99(3) . .
Au10 Au1 Au7 123.57(3) . .
Au5 Au1 Au7 109.93(3) . .
Au6 Au1 Au7 58.03(3) . .
Au9 Au1 Au7 132.65(3) . .
S8 Au2 Pt1 154.30(11) . .
S8 Au2 Au5 106.37(12) . 2_565
Pt1 Au2 Au5 59.62(3) . 2_565
S8 Au2 Au6 143.17(11) . .
Pt1 Au2 Au6 59.87(2) . .
Au5 Au2 Au6 108.29(3) 2_565 .
S8 Au2 Au3 96.11(11) . .
Pt1 Au2 Au3 58.346(18) . .
Au5 Au2 Au3 58.31(2) 2_565 .
Au6 Au2 Au3 112.44(3) . .
S8 Au2 Au1 112.75(14) . .
Pt1 Au2 Au1 58.19(3) . .
Au5 Au2 Au1 106.39(3) 2_565 .
Au6 Au2 Au1 68.47(3) . .
Au3 Au2 Au1 57.76(3) . .
S8 Au2 Au4 136.75(14) . 2_565
Pt1 Au2 Au4 58.42(3) . 2_565
Au5 Au2 Au4 60.25(3) 2_565 2_565
Au6 Au2 Au4 57.30(2) . 2_565
Au3 Au2 Au4 106.75(3) . 2_565
Au1 Au2 Au4 110.50(3) . 2_565
S8 Au2 Au7 83.03(12) . .
Pt1 Au2 Au7 110.19(4) . .
Au5 Au2 Au7 169.81(3) 2_565 .
Au6 Au2 Au7 63.57(3) . .
Au3 Au2 Au7 117.70(3) . .
Au1 Au2 Au7 65.52(3) . .
Au4 Au2 Au7 115.56(3) 2_565 .
S8 Au2 Au8 91.77(11) . .
Pt1 Au2 Au8 113.55(2) . .
Au5 Au2 Au8 115.86(2) 2_565 .
Au6 Au2 Au8 62.00(2) . .
Au3 Au2 Au8 171.32(2) . .
Au1 Au2 Au8 122.09(3) . .
Au4 Au2 Au8 64.78(3) 2_565 .
Au7 Au2 Au8 66.813(18) . .
S8 Au2 Au12 45.85(11) . .
Pt1 Au2 Au12 112.17(3) . .
Au5 Au2 Au12 62.33(3) 2_565 .
Au6 Au2 Au12 170.61(3) . .
Au3 Au2 Au12 63.08(2) . .
Au1 Au2 Au12 112.54(4) . .
Au4 Au2 Au12 114.99(3) 2_565 .
Au7 Au2 Au12 125.68(3) . .
Au8 Au2 Au12 121.30(3) . .
S4 Au3 Pt1 160.85(12) . .
S4 Au3 Au5 139.23(12) . 2_565
Pt1 Au3 Au5 59.67(3) . 2_565
S4 Au3 Au1 106.52(11) . .
Pt1 Au3 Au1 59.36(3) . .
Au5 Au3 Au1 109.39(3) 2_565 .
S4 Au3 Au6 119.04(10) . 2_565
Pt1 Au3 Au6 58.94(2) . 2_565
Au5 Au3 Au6 68.79(3) 2_565 2_565
Au1 Au3 Au6 105.16(3) . 2_565
S4 Au3 Au2 129.13(10) . .
Pt1 Au3 Au2 58.25(2) . .
Au5 Au3 Au2 58.54(3) 2_565 .
Au1 Au3 Au2 61.14(2) . .
Au6 Au3 Au2 111.71(3) 2_565 .
S4 Au3 Au4 104.10(12) . .
Pt1 Au3 Au4 57.99(3) . .
Au5 Au3 Au4 111.17(3) 2_565 .
Au1 Au3 Au4 57.30(3) . .
Au6 Au3 Au4 56.202(18) 2_565 .
Au2 Au3 Au4 106.45(3) . .
S4 Au3 Au9 47.55(12) . .
Pt1 Au3 Au9 113.40(4) . .
Au5 Au3 Au9 172.53(3) 2_565 .
Au1 Au3 Au9 66.60(3) . .
Au6 Au3 Au9 105.66(3) 2_565 .
Au2 Au3 Au9 121.38(3) . .
Au4 Au3 Au9 61.39(3) . .
S4 Au3 Au11 85.37(11) . 2_565
Pt1 Au3 Au11 108.41(3) . 2_565
Au5 Au3 Au11 60.57(3) 2_565 2_565
Au1 Au3 Au11 167.77(3) . 2_565
Au6 Au3 Au11 65.53(3) 2_565 2_565
Au2 Au3 Au11 113.66(3) . 2_565
Au4 Au3 Au11 117.82(4) . 2_565
Au9 Au3 Au11 122.47(3) . 2_565
S4 Au3 Au12 85.20(12) . .
Pt1 Au3 Au12 112.05(3) . .
Au5 Au3 Au12 62.38(3) 2_565 .
Au1 Au3 Au12 115.33(4) . .
Au6 Au3 Au12 123.99(3) 2_565 .
Au2 Au3 Au12 63.03(2) . .
Au4 Au3 Au12 169.28(3) . .
Au9 Au3 Au12 124.83(3) . .
Au11 Au3 Au12 67.60(3) 2_565 .
S3 Au4 Au6 104.68(10) 2_565 2_565
S3 Au4 Au1 146.03(10) 2_565 .
Au6 Au4 Au1 109.29(4) 2_565 .
S3 Au4 Pt1 144.50(11) 2_565 .
Au6 Au4 Pt1 60.086(18) 2_565 .
Au1 Au4 Pt1 59.50(3) . .
S3 Au4 Au5 103.25(13) 2_565 .
Au6 Au4 Au5 106.80(3) 2_565 .
Au1 Au4 Au5 66.86(3) . .
Pt1 Au4 Au5 58.21(3) . .
S3 Au4 Au2 86.91(11) 2_565 2_565
Au6 Au4 Au2 58.71(3) 2_565 2_565
Au1 Au4 Au2 110.51(4) . 2_565
Pt1 Au4 Au2 57.62(2) . 2_565
Au5 Au4 Au2 57.07(2) . 2_565
S3 Au4 Au3 146.61(12) 2_565 .
Au6 Au4 Au3 60.02(3) 2_565 .
Au1 Au4 Au3 58.35(2) . .
Pt1 Au4 Au3 57.293(17) . .
Au5 Au4 Au3 109.53(3) . .
Au2 Au4 Au3 105.44(3) 2_565 .
S3 Au4 Au10 82.24(10) 2_565 .
Au6 Au4 Au10 172.97(3) 2_565 .
Au1 Au4 Au10 63.80(3) . .
Pt1 Au4 Au10 113.47(2) . .
Au5 Au4 Au10 69.84(3) . .
Au2 Au4 Au10 121.32(3) 2_565 .
Au3 Au4 Au10 114.72(4) . .
S3 Au4 Au9 102.28(11) 2_565 .
Au6 Au4 Au9 108.73(4) 2_565 .
Au1 Au4 Au9 67.01(4) . .
Pt1 Au4 Au9 112.87(3) . .
Au5 Au4 Au9 128.59(3) . .
Au2 Au4 Au9 166.41(3) 2_565 .
Au3 Au4 Au9 61.50(2) . .
Au10 Au4 Au9 70.42(4) . .
S3 Au4 Au8 44.09(10) 2_565 2_565
Au6 Au4 Au8 60.87(3) 2_565 2_565
Au1 Au4 Au8 169.04(3) . 2_565
Pt1 Au4 Au8 109.69(3) . 2_565
Au5 Au4 Au8 109.98(3) . 2_565
Au2 Au4 Au8 61.00(3) 2_565 2_565
Au3 Au4 Au8 115.47(2) . 2_565
Au10 Au4 Au8 125.88(3) . 2_565
Au9 Au4 Au8 119.41(4) . 2_565
S6 Au5 Pt1 140.98(10) . .
S6 Au5 Au3 148.18(12) . 2_565
Pt1 Au5 Au3 60.079(17) . 2_565
S6 Au5 Au2 142.41(11) . 2_565
Pt1 Au5 Au2 59.929(18) . 2_565
Au3 Au5 Au2 63.15(3) 2_565 2_565
S6 Au5 Au4 98.93(12) . .
Pt1 Au5 Au4 59.34(2) . .
Au3 Au5 Au4 112.43(3) 2_565 .
Au2 Au5 Au4 62.67(2) 2_565 .
S6 Au5 Au11 81.81(12) . .
Pt1 Au5 Au11 113.32(3) . .
Au3 Au5 Au11 66.38(3) 2_565 .
Au2 Au5 Au11 122.88(3) 2_565 .
Au4 Au5 Au11 168.59(3) . .
S6 Au5 Au1 85.30(11) . .
Pt1 Au5 Au1 55.72(2) . .
Au3 Au5 Au1 107.86(3) 2_565 .
Au2 Au5 Au1 105.61(4) 2_565 .
Au4 Au5 Au1 55.05(2) . .
Au11 Au5 Au1 113.88(3) . .
S6 Au5 Au12 103.79(10) . 2_565
Pt1 Au5 Au12 115.09(3) . 2_565
Au3 Au5 Au12 65.68(3) 2_565 2_565
Au2 Au5 Au12 65.57(4) 2_565 2_565
Au4 Au5 Au12 119.80(3) . 2_565
Au11 Au5 Au12 70.68(3) . 2_565
Au1 Au5 Au12 170.54(3) . 2_565
S6 Au5 Au6 110.35(11) . .
Pt1 Au5 Au6 55.08(2) . .
Au3 Au5 Au6 57.07(3) 2_565 .
Au2 Au5 Au6 106.30(3) 2_565 .
Au4 Au5 Au6 105.64(4) . .
Au11 Au5 Au6 63.78(3) . .
Au1 Au5 Au6 61.23(3) . .
Au12 Au5 Au6 116.68(3) 2_565 .
S6 Au5 Au10 43.06(11) . .
Pt1 Au5 Au10 103.99(2) . .
Au3 Au5 Au10 163.47(3) 2_565 .
Au2 Au5 Au10 114.44(3) 2_565 .
Au4 Au5 Au10 56.65(3) . .
Au11 Au5 Au10 121.50(3) . .
Au1 Au5 Au10 56.10(3) . .
Au12 Au5 Au10 129.61(3) 2_565 .
Au6 Au5 Au10 111.37(4) . .
S7 Au6 Au4 139.56(10) . 2_565
S7 Au6 Pt1 147.37(10) . .
Au4 Au6 Pt1 60.57(3) 2_565 .
S7 Au6 Au2 144.77(10) . .
Au4 Au6 Au2 63.99(3) 2_565 .
Pt1 Au6 Au2 59.48(2) . .
S7 Au6 Au3 102.89(10) . 2_565
Au4 Au6 Au3 63.78(3) 2_565 2_565
Pt1 Au6 Au3 58.67(2) . 2_565
Au2 Au6 Au3 112.27(2) . 2_565
S7 Au6 Au8 96.89(10) . .
Au4 Au6 Au8 68.00(3) 2_565 .
Pt1 Au6 Au8 115.74(3) . .
Au2 Au6 Au8 64.95(3) . .
Au3 Au6 Au8 125.08(3) 2_565 .
S7 Au6 Au7 81.56(10) . .
Au4 Au6 Au7 121.76(3) 2_565 .
Pt1 Au6 Au7 110.14(3) . .
Au2 Au6 Au7 63.881(19) . .
Au3 Au6 Au7 164.83(3) 2_565 .
Au8 Au6 Au7 67.89(2) . .
S7 Au6 Au5 92.92(10) . .
Au4 Au6 Au5 105.60(3) 2_565 .
Pt1 Au6 Au5 54.51(3) . .
Au2 Au6 Au5 105.47(3) . .
Au3 Au6 Au5 54.14(2) 2_565 .
Au8 Au6 Au5 169.93(2) . .
Au7 Au6 Au5 111.59(3) . .
S7 Au6 Au1 113.19(10) . .
Au4 Au6 Au1 107.11(2) 2_565 .
Pt1 Au6 Au1 54.35(3) . .
Au2 Au6 Au1 57.40(2) . .
Au3 Au6 Au1 102.94(3) 2_565 .
Au8 Au6 Au1 115.20(3) . .
Au7 Au6 Au1 62.276(19) . .
Au5 Au6 Au1 58.23(3) . .
S7 Au6 Au11 44.65(10) . .
Au4 Au6 Au11 121.29(4) 2_565 .
Pt1 Au6 Au11 105.36(2) . .
Au2 Au6 Au11 160.72(3) . .
Au3 Au6 Au11 61.753(19) 2_565 .
Au8 Au6 Au11 134.13(3) . .
Au7 Au6 Au11 116.57(2) . .
Au5 Au6 Au11 55.63(2) . .
Au1 Au6 Au11 104.70(2) . .
S1 Au7 S2 172.01(13) . .
S1 Au7 Au6 101.67(9) . .
S2 Au7 Au6 82.63(9) . .
S1 Au7 Au2 91.40(9) . .
S2 Au7 Au2 96.54(9) . .
Au6 Au7 Au2 52.55(3) . .
S1 Au7 Au1 45.25(9) . .
S2 Au7 Au1 140.94(9) . .
Au6 Au7 Au1 59.70(3) . .
Au2 Au7 Au1 53.50(2) . .
S3 Au8 S2 177.72(15) . .
S3 Au8 Au6 97.33(10) . .
S2 Au8 Au6 84.39(10) . .
S3 Au8 Au2 83.21(11) . .
S2 Au8 Au2 96.70(10) . .
Au6 Au8 Au2 53.05(2) . .
S3 Au8 Au4 46.46(10) . 2_565
S2 Au8 Au4 135.08(10) . 2_565
Au6 Au8 Au4 51.130(19) . 2_565
Au2 Au8 Au4 54.222(19) . 2_565
S5 Au9 S4 171.27(14) . .
S5 Au9 Au4 86.85(11) . .
S4 Au9 Au4 101.84(10) . .
S5 Au9 Au3 138.74(11) . .
S4 Au9 Au3 49.44(10) . .
Au4 Au9 Au3 57.11(3) . .
S5 Au9 Au1 90.79(12) . .
S4 Au9 Au1 95.27(10) . .
Au4 Au9 Au1 51.61(2) . .
Au3 Au9 Au1 52.23(3) . .
S6 Au10 S5 173.78(15) . .
S6 Au10 Au4 96.74(10) . .
S5 Au10 Au4 89.47(11) . .
S6 Au10 Au1 87.48(11) . .
S5 Au10 Au1 95.86(12) . .
Au4 Au10 Au1 54.74(3) . .
S6 Au10 Au5 43.99(10) . .
S5 Au10 Au5 142.04(12) . .
Au4 Au10 Au5 53.52(2) . .
Au1 Au10 Au5 57.93(2) . .
S9 Au11 S7 171.35(14) 2_565 .
S9 Au11 Au5 88.29(11) 2_565 .
S7 Au11 Au5 98.26(10) . .
S9 Au11 Au3 93.16(12) 2_565 2_565
S7 Au11 Au3 95.29(10) . 2_565
Au5 Au11 Au3 53.044(19) . 2_565
S9 Au11 Au6 142.84(11) 2_565 .
S7 Au11 Au6 45.72(9) . .
Au5 Au11 Au6 60.59(2) . .
Au3 Au11 Au6 52.72(3) 2_565 .
S9 Au12 S8 175.80(16) . .
S9 Au12 Au5 86.11(12) . 2_565
S8 Au12 Au5 98.08(10) . 2_565
S9 Au12 Au2 136.38(11) . .
S8 Au12 Au2 47.59(10) . .
Au5 Au12 Au2 52.10(2) 2_565 .
S9 Au12 Au3 92.59(11) . .
S8 Au12 Au3 89.76(12) . .
Au5 Au12 Au3 51.94(2) 2_565 .
Au2 Au12 Au3 53.89(3) . .
Au5 Pt1 Au5 180.00(3) 2_565 .
Au5 Pt1 Au1 111.271(18) 2_565 .
Au5 Pt1 Au1 68.729(18) . .
Au5 Pt1 Au1 68.728(18) 2_565 2_565
Au5 Pt1 Au1 111.272(18) . 2_565
Au1 Pt1 Au1 180.0 . 2_565
Au5 Pt1 Au2 60.45(3) 2_565 .
Au5 Pt1 Au2 119.55(3) . .
Au1 Pt1 Au2 63.50(3) . .
Au1 Pt1 Au2 116.50(3) 2_565 .
Au5 Pt1 Au2 119.55(3) 2_565 2_565
Au5 Pt1 Au2 60.45(3) . 2_565
Au1 Pt1 Au2 116.50(3) . 2_565
Au1 Pt1 Au2 63.50(3) 2_565 2_565
Au2 Pt1 Au2 180.0 . 2_565
Au5 Pt1 Au3 60.25(2) 2_565 .
Au5 Pt1 Au3 119.74(2) . .
Au1 Pt1 Au3 61.05(2) . .
Au1 Pt1 Au3 118.94(2) 2_565 .
Au2 Pt1 Au3 63.40(3) . .
Au2 Pt1 Au3 116.60(3) 2_565 .
Au5 Pt1 Au3 119.74(3) 2_565 2_565
Au5 Pt1 Au3 60.26(2) . 2_565
Au1 Pt1 Au3 118.95(2) . 2_565
Au1 Pt1 Au3 61.05(2) 2_565 2_565
Au2 Pt1 Au3 116.60(3) . 2_565
Au2 Pt1 Au3 63.40(3) 2_565 2_565
Au3 Pt1 Au3 180.0 . 2_565
Au5 Pt1 Au6 109.59(2) 2_565 .
Au5 Pt1 Au6 70.41(2) . .
Au1 Pt1 Au6 70.89(3) . .
Au1 Pt1 Au6 109.11(3) 2_565 .
Au2 Pt1 Au6 60.65(3) . .
Au2 Pt1 Au6 119.35(3) 2_565 .
Au3 Pt1 Au6 117.61(3) . .
Au3 Pt1 Au6 62.39(3) 2_565 .
Au5 Pt1 Au6 70.41(2) 2_565 2_565
Au5 Pt1 Au6 109.59(2) . 2_565
Au1 Pt1 Au6 109.11(3) . 2_565
Au1 Pt1 Au6 70.89(3) 2_565 2_565
Au2 Pt1 Au6 119.35(3) . 2_565
Au2 Pt1 Au6 60.65(3) 2_565 2_565
Au3 Pt1 Au6 62.39(3) . 2_565
Au3 Pt1 Au6 117.61(3) 2_565 2_565
Au6 Pt1 Au6 180.0 . 2_565
Au5 Pt1 Au4 117.549(19) 2_565 .
Au5 Pt1 Au4 62.451(19) . .
Au1 Pt1 Au4 60.02(2) . .
Au1 Pt1 Au4 119.982(19) 2_565 .
Au2 Pt1 Au4 116.04(2) . .
Au2 Pt1 Au4 63.96(2) 2_565 .
Au3 Pt1 Au4 64.71(3) . .
Au3 Pt1 Au4 115.29(3) 2_565 .
Au6 Pt1 Au4 120.66(3) . .
Au6 Pt1 Au4 59.34(3) 2_565 .
Au5 Pt1 Au4 62.452(19) 2_565 2_565
Au5 Pt1 Au4 117.55(2) . 2_565
Au1 Pt1 Au4 119.983(19) . 2_565
Au1 Pt1 Au4 60.018(19) 2_565 2_565
Au2 Pt1 Au4 63.96(2) . 2_565
Au2 Pt1 Au4 116.04(2) 2_565 2_565
Au3 Pt1 Au4 115.29(3) . 2_565
Au3 Pt1 Au4 64.71(3) 2_565 2_565
Au6 Pt1 Au4 59.34(3) . 2_565
Au6 Pt1 Au4 120.66(3) 2_565 2_565
Au4 Pt1 Au4 180.0 . 2_565
C1A S1 Au7 105.2(5) . .
C1A S1 Au1 110.6(5) . .
Au7 S1 Au1 90.58(13) . .
C2A S2 Au8 110.0(6) . .
C2A S2 Au7 107.8(6) . .
Au8 S2 Au7 99.02(14) . .
C3A S3 Au8 110.7(8) . .
C3A S3 Au4 119.0(8) . 2_565
Au8 S3 Au4 89.46(14) . 2_565
C4A S4 Au9 103.0(6) . .
C4A S4 Au3 109.1(5) . .
Au9 S4 Au3 83.01(13) . .
C5A S5 Au9 102.6(6) . .
C5A S5 Au10 104.2(6) . .
Au9 S5 Au10 99.37(16) . .
C6A S6 Au10 109.0(7) . .
C6A S6 Au5 108.7(6) . .
Au10 S6 Au5 92.95(15) . .
C7A S7 Au11 103.5(5) . .
C7A S7 Au6 109.0(5) . .
Au11 S7 Au6 89.63(13) . .
C8A S8 Au12 111.6(9) . .
C8A S8 Au2 111.1(8) . .
Au12 S8 Au2 86.56(14) . .
C9A S9 Au12 105.3(6) . .
C9A S9 Au11 103.3(6) . 2_565
Au12 S9 Au11 100.98(16) . 2_565
C1F C1A C1B 111.8(13) . .
C1F C1A S1 116.0(10) . .
C1B C1A S1 107.7(11) . .
C1C C1B C1A 109.3(13) . .
C1D C1C C1B 113.4(14) . .
C1E C1D C1C 110.1(16) . .
C1D C1E C1F 111.9(14) . .
C1A C1F C1E 109.9(13) . .
C2BA C2A C2FA 115.3(19) . .
C2BB C2A C2FB 108(3) . .
C2BA C2A S2 104.9(15) . .
C2FA C2A S2 110.1(15) . .
C2BB C2A S2 119(3) . .
C2FB C2A S2 115(3) . .
C2A C2BA C2C 110(2) . .
C2A C2BB C2D 125(5) . .
C2A C2BB C2C 93(4) . .
C2D C2BB C2C 51(2) . .
C2D C2C C2BA 109.9(18) . .
C2D C2C C2BB 55.9(18) . .
C2EA C2D C2C 119(2) . .
C2C C2D C2BB 73(2) . .
C2C C2D C2EB 83.4(17) . .
C2BB C2D C2EB 78(3) . .
C2D C2EA C2FA 104(2) . .
C2FB C2EB C2D 107(4) . .
C2A C2FA C2EA 112(2) . .
C2A C2FB C2EB 103(4) . .
C3BA C3A C3FA 120(3) . .
C3FB C3A C3BB 106(5) . .
C3FB C3A S3 117(4) . .
C3BA C3A S3 112(2) . .
C3FA C3A S3 111.7(19) . .
C3BB C3A S3 113(3) . .
C3A C3BA C3C 112(3) . .
C3A C3BB C3C 75(3) . .
C3BA C3C C3D 109(2) . .
C3D C3C C3BB 65(2) . .
C3EA C3D C3C 113(3) . .
C3C C3D C3EB 83(3) . .
C3D C3EA C3FA 113(3) . .
C3A C3FA C3EA 108(2) . .
C3FB C3EB C3D 104(5) . .
C3A C3FB C3EB 114(7) . .
C4F C4A C4B 111.5(14) . .
C4F C4A S4 116.9(11) . .
C4B C4A S4 107.5(11) . .
C4C C4B C4A 107.5(16) . .
C4D C4C C4B 111.4(16) . .
C4C C4D C4E 109.8(15) . .
C4F C4E C4D 108.8(15) . .
C4A C4F C4E 112.0(14) . .
C5F C5A C5B 112.3(14) . .
C5F C5A S5 108.0(13) . .
C5B C5A S5 109.5(11) . .
C5A C5B C5C 109.0(15) . .
C5B C5C C5D 112.2(17) . .
C5E C5D C5C 111.5(15) . .
C5D C5E C5F 111.9(17) . .
C5E C5F C5A 111.2(16) . .
C6BB C6A C6F 124(3) . .
C6F C6A C6BA 98.0(17) . .
C6BB C6A S6 127(3) . .
C6F C6A S6 108.8(14) . .
C6BA C6A S6 112.7(14) . .
C6D C6CA C6BA 121(3) . .
C6CA C6BA C6A 110(2) . .
C6BB C6CB C6D 108(5) . .
C6A C6BB C6CB 109(6) . .
C6CA C6D C6E 118(2) . .
C6E C6D C6CB 77(3) . .
C6D C6E C6F 111.3(18) . .
C6A C6F C6E 114.3(17) . .
C7F C7A C7B 111.5(12) . .
C7F C7A S7 108.9(11) . .
C7B C7A S7 111.7(10) . .
C7A C7B C7C 110.3(12) . .
C7D C7C C7B 107.1(14) . .
C7E C7D C7C 113.8(14) . .
C7D C7E C7F 110.1(14) . .
C7A C7F C7E 110.5(13) . .
C8B C8A C8F 104(2) . .
C8B C8A S8 118(2) . .
C8F C8A S8 110.3(17) . .
C8A C8B C8C 123(2) . .
C8D C8C C8B 107(2) . .
C8E C8D C8C 123(3) . .
C8D C8E C8F 107(2) . .
C8A C8F C8E 113(2) . .
C9B C9A C9F 111.2(15) . .
C9B C9A S9 111.8(13) . .
C9F C9A S9 105.3(13) . .
C9C C9B C9A 110.9(16) . .
C9D C9C C9B 110.7(17) . .
C9E C9D C9C 110.8(16) . .
C9D C9E C9F 111(2) . .
C9A C9F C9E 108.4(16) . .
C10B C10A C10F 120.0 . .
C10B C10A C10G 122.1(10) . .
C10F C10A C10G 117.9(10) . .
C10C C10B C10A 120.0 . .
C10D C10C C10B 120.0 . .
C10C C10D C10E 120.0 . .
C10F C10E C10D 120.0 . .
C10E C10F C10A 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 S1 2.348(4) .
Au1 Pt1 2.7729(11) .
Au1 Au4 2.7877(12) .
Au1 Au3 2.8201(11) .
Au1 Au2 2.9202(12) .
Au1 Au10 3.0631(13) .
Au1 Au5 3.1274(12) .
Au1 Au6 3.2245(14) .
Au1 Au9 3.2740(15) .
Au1 Au7 3.3061(12) .
Au2 S8 2.382(4) .
Au2 Pt1 2.7763(9) .
Au2 Au5 2.7909(12) 2_565
Au2 Au6 2.8089(12) .
Au2 Au3 2.9193(13) .
Au2 Au4 2.9540(12) 2_565
Au2 Au7 3.1768(12) .
Au2 Au8 3.1845(14) .
Au2 Au12 3.2204(13) .
Au3 S4 2.392(4) .
Au3 Pt1 2.7791(8) .
Au3 Au5 2.7840(11) 2_565
Au3 Au6 2.8832(14) 2_565
Au3 Au4 2.9863(13) .
Au3 Au9 3.1254(12) .
Au3 Au11 3.1921(12) 2_565
Au3 Au12 3.2218(13) .
Au4 S3 2.388(4) 2_565
Au4 Au6 2.7662(10) 2_565
Au4 Pt1 2.8007(11) .
Au4 Au5 2.8868(11) .
Au4 Au10 2.9991(11) .
Au4 Au9 3.1221(12) .
Au4 Au8 3.2941(14) 2_565
Au5 S6 2.344(4) .
Au5 Pt1 2.7675(12) .
Au5 Au11 3.0345(13) .
Au5 Au12 3.1327(13) 2_565
Au5 Au6 3.2025(12) .
Au5 Au10 3.3704(13) .
Au6 S7 2.362(4) .
Au6 Pt1 2.7872(9) .
Au6 Au8 3.1035(11) .
Au6 Au7 3.1683(15) .
Au6 Au11 3.2982(15) .
Au7 S1 2.304(4) .
Au7 S2 2.311(4) .
Au8 S3 2.292(4) .
Au8 S2 2.294(4) .
Au9 S5 2.305(5) .
Au9 S4 2.323(5) .
Au10 S6 2.304(5) .
Au10 S5 2.325(5) .
Au11 S9 2.317(4) 2_565
Au11 S7 2.318(4) .
Au12 S9 2.308(4) .
Au12 S8 2.315(4) .
S1 C1A 1.836(15) .
S2 C2A 1.865(18) .
S3 C3A 1.86(2) .
S4 C4A 1.846(14) .
S5 C5A 1.847(16) .
S6 C6A 1.810(17) .
S7 C7A 1.851(14) .
S8 C8A 1.82(2) .
S9 C9A 1.843(18) .
C1A C1F 1.47(2) .
C1A C1B 1.526(18) .
C1B C1C 1.51(2) .
C1C C1D 1.50(2) .
C1D C1E 1.47(2) .
C1E C1F 1.550(19) .
C2A C2BA 1.45(3) .
C2A C2FA 1.51(3) .
C2A C2BB 1.51(6) .
C2A C2FB 1.52(6) .
C2BA C2C 1.58(3) .
C2BB C2D 1.65(6) .
C2BB C2C 1.91(7) .
C2C C2D 1.541(16) .
C2D C2EA 1.39(3) .
C2D C2EB 2.33(5) .
C2EA C2FA 1.57(4) .
C2EB C2FB 1.57(7) .
C3A C3FB 1.23(7) .
C3A C3BA 1.33(4) .
C3A C3FA 1.44(4) .
C3A C3BB 1.71(8) .
C3BA C3C 1.52(3) .
C3BB C3C 2.15(7) .
C3C C3D 1.56(3) .
C3D C3EA 1.29(4) .
C3D C3EB 1.85(8) .
C3EA C3FA 1.643(18) .
C3EB C3FB 1.56(9) .
C4A C4F 1.47(2) .
C4A C4B 1.55(2) .
C4B C4C 1.53(2) .
C4C C4D 1.53(2) .
C4D C4E 1.53(2) .
C4E C4F 1.52(2) .
C5A C5F 1.53(2) .
C5A C5B 1.55(2) .
C5B C5C 1.55(2) .
C5C C5D 1.56(3) .
C5D C5E 1.50(3) .
C5E C5F 1.51(2) .
C6A C6BB 1.27(6) .
C6A C6F 1.43(2) .
C6A C6BA 1.60(3) .
C6CA C6D 1.20(3) .
C6CA C6BA 1.54(3) .
C6CB C6BB 1.46(7) .
C6CB C6D 1.88(6) .
C6D C6E 1.533(17) .
C6E C6F 1.55(2) .
C7A C7F 1.515(18) .
C7A C7B 1.528(18) .
C7B C7C 1.56(2) .
C7C C7D 1.51(2) .
C7D C7E 1.45(2) .
C7E C7F 1.57(2) .
C8A C8B 1.42(3) .
C8A C8F 1.55(3) .
C8B C8C 1.51(3) .
C8C C8D 1.47(3) .
C8D C8E 1.46(3) .
C8E C8F 1.56(3) .
C9A C9B 1.54(2) .
C9A C9F 1.54(2) .
C9B C9C 1.51(2) .
C9C C9D 1.51(2) .
C9D C9E 1.50(3) .
C9E C9F 1.61(3) .
C10A C10B 1.3900 .
C10A C10F 1.3900 .
C10A C10G 1.444(15) .
C10B C10C 1.3900 .
C10C C10D 1.3900 .
C10D C10E 1.3900 .
C10E C10F 1.3900 .
