#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/85/1518520.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_1518520
loop_
_publ_author_name
'Yoshida, Takuya'
'Yasuda, Yuta'
'Nagashima, Eri'
'Arai, Hidekazu'
'Matsunaga, Satoshi'
'Nomiya, Kenji'
_publ_section_title
;
 Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by
 Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and
 Phosphanes
;
_journal_issue                   4
_journal_name_full               Inorganics
_journal_page_first              660
_journal_paper_doi               10.3390/inorganics2040660
_journal_volume                  2
_journal_year                    2014
_chemical_formula_sum            'C168 H168 Au8 O46 P8 Si W12'
_chemical_formula_weight         6980.81
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   20.478(3)
_cell_length_b                   20.478(3)
_cell_length_c                   36.726(7)
_cell_measurement_reflns_used    15305
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.4855
_cell_measurement_theta_min      3.0894
_cell_volume                     13338(4)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_sigmaI/netI    0.0273
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            70079
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    14.448
_exptl_absorpt_correction_T_max  0.4312
_exptl_absorpt_correction_T_min  0.1358
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2008)'
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    2.607
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             9594
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.453
_refine_diff_density_min         -4.333
_refine_diff_density_rms         0.307
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.311
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         6739
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.311
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0547
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+1648.7844P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1212
_refine_ls_wR_factor_ref         0.1217
_reflns_number_gt                6569
_reflns_number_total             6739
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            3.cif
_cod_data_source_block           ty001rr-3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/MDPI/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 2935 2014-11-11 08:27:57Z andrius 
;
_cod_original_cell_volume        13337(4)
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               1518520
loop_
_symmetry_equiv_pos_as_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'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Au1 Au 0.6667 0.3333 0.060159(19) 0.01326(16) Uani 1 3 d S
Au2 Au 0.54918(2) 0.26466(2) 0.003474(11) 0.01158(11) Uani 1 1 d .
C1 C 0.7482(6) 0.4141(6) 0.1399(3) 0.013(2) Uani 1 1 d .
C2 C 0.7427(7) 0.4490(7) 0.1709(3) 0.019(2) Uani 1 1 d .
H2 H 0.6949 0.4321 0.1819 0.023 Uiso 1 1 calc R
C3 C 0.8080(7) 0.5097(7) 0.1864(4) 0.025(3) Uani 1 1 d .
C4 C 0.8776(8) 0.5327(7) 0.1706(4) 0.026(3) Uani 1 1 d .
H4 H 0.9218 0.5732 0.1811 0.031 Uiso 1 1 calc R
C5 C 0.8832(7) 0.4974(8) 0.1400(4) 0.027(3) Uani 1 1 d .
H5 H 0.9317 0.5129 0.1302 0.033 Uiso 1 1 calc R
C6 C 0.8189(7) 0.4385(8) 0.1226(3) 0.023(3) Uani 1 1 d .
H6 H 0.8228 0.4164 0.1006 0.027 Uiso 1 1 calc R
C7 C 0.8015(9) 0.5489(9) 0.2199(4) 0.037(3) Uani 1 1 d .
H7A H 0.8357 0.5497 0.2388 0.055 Uiso 1 1 calc R
H7B H 0.7495 0.5216 0.2290 0.055 Uiso 1 1 calc R
H7C H 0.8150 0.6007 0.2137 0.055 Uiso 1 1 calc R
C8 C 0.3636(6) 0.1703(6) -0.0251(3) 0.015(2) Uani 1 1 d .
C9 C 0.2848(7) 0.1360(8) -0.0203(3) 0.024(3) Uani 1 1 d .
H9 H 0.2649 0.1275 0.0037 0.029 Uiso 1 1 calc R
C10 C 0.2356(8) 0.1145(8) -0.0495(4) 0.028(3) Uani 1 1 d .
C11 C 0.2666(7) 0.1281(8) -0.0851(3) 0.025(3) Uani 1 1 d .
H11 H 0.2344 0.1147 -0.1057 0.030 Uiso 1 1 calc R
C12 C 0.3441(7) 0.1611(7) -0.0898(3) 0.020(2) Uani 1 1 d .
H12 H 0.3641 0.1693 -0.1137 0.024 Uiso 1 1 calc R
C13 C 0.3922(7) 0.1819(6) -0.0606(3) 0.017(2) Uani 1 1 d .
H13 H 0.4450 0.2042 -0.0645 0.020 Uiso 1 1 calc R
C14 C 0.1523(9) 0.0780(14) -0.0445(5) 0.061(6) Uani 1 1 d .
H14A H 0.1337 0.0292 -0.0323 0.091 Uiso 1 1 calc R
H14B H 0.1280 0.0702 -0.0683 0.091 Uiso 1 1 calc R
H14C H 0.1407 0.1105 -0.0296 0.091 Uiso 1 1 calc R
C15 C 0.3951(6) 0.1239(6) 0.0441(3) 0.015(2) Uani 1 1 d .
C16 C 0.4153(7) 0.1374(7) 0.0812(3) 0.020(2) Uani 1 1 d .
H16 H 0.4428 0.1877 0.0900 0.024 Uiso 1 1 calc R
C17 C 0.3954(7) 0.0773(7) 0.1052(3) 0.021(2) Uani 1 1 d .
C18 C 0.3544(7) 0.0039(7) 0.0920(3) 0.023(3) Uani 1 1 d .
H18 H 0.3383 -0.0376 0.1082 0.027 Uiso 1 1 calc R
C19 C 0.3367(8) -0.0086(7) 0.0547(4) 0.026(3) Uani 1 1 d .
H19 H 0.3107 -0.0589 0.0457 0.032 Uiso 1 1 calc R
C20 C 0.3564(7) 0.0506(7) 0.0306(3) 0.022(3) Uani 1 1 d .
H20 H 0.3438 0.0414 0.0055 0.027 Uiso 1 1 calc R
C21 C 0.4150(9) 0.0905(9) 0.1452(4) 0.034(3) Uani 1 1 d .
H21A H 0.4148 0.0463 0.1555 0.052 Uiso 1 1 calc R
H21B H 0.3778 0.0990 0.1579 0.052 Uiso 1 1 calc R
H21C H 0.4652 0.1349 0.1481 0.052 Uiso 1 1 calc R
C22 C 0.4039(6) 0.2693(7) 0.0379(3) 0.016(2) Uani 1 1 d .
C23 C 0.4539(7) 0.3470(7) 0.0337(3) 0.020(2) Uani 1 1 d .
H23 H 0.4972 0.3644 0.0187 0.024 Uiso 1 1 calc R
C24 C 0.4396(8) 0.3985(7) 0.0516(3) 0.023(3) Uani 1 1 d .
C25 C 0.3732(8) 0.3702(8) 0.0730(4) 0.028(3) Uani 1 1 d .
H25 H 0.3619 0.4046 0.0849 0.033 Uiso 1 1 calc R
C26 C 0.3250(8) 0.2946(9) 0.0768(4) 0.033(3) Uani 1 1 d .
H26 H 0.2814 0.2772 0.0916 0.039 Uiso 1 1 calc R
C27 C 0.3392(7) 0.2432(8) 0.0595(4) 0.026(3) Uani 1 1 d .
H27 H 0.3054 0.1906 0.0621 0.031 Uiso 1 1 calc R
C28 C 0.4952(11) 0.4823(8) 0.0490(5) 0.043(4) Uani 1 1 d .
H28A H 0.5406 0.4903 0.0362 0.064 Uiso 1 1 calc R
H28B H 0.5087 0.5038 0.0735 0.064 Uiso 1 1 calc R
H28C H 0.4722 0.5069 0.0355 0.064 Uiso 1 1 calc R
O1 O 0.6667 0.3333 0.0023(4) 0.010(2) Uani 1 3 d S
O2 O 0.6285(6) 0.5661(5) 0.8351(2) 0.027(2) Uani 1 1 d .
O3 O 0.5604(6) 0.3919(5) 0.9500(4) 0.044(3) Uani 1 1 d .
O4 O 0.7466(7) 0.5390(12) 0.8414(4) 0.093(7) Uani 1 1 d .
O5 O 0.6240(7) 0.4646(7) 0.8847(4) 0.084(7) Uani 1 1 d .
O6 O 0.5061(8) 0.3263(7) 0.8828(4) 0.092(7) Uani 1 1 d .
O7 O 0.5810(5) 0.2796(5) 0.9234(3) 0.033(2) Uani 1 1 d .
O8 O 0.6997(8) 0.4202(8) 0.8153(4) 0.057(3) Uani 1 1 d .
O9 O 0.6667 0.3333 0.7928(7) 0.056(6) Uani 1 3 d S
P1 P 0.6667 0.3333 0.12052(13) 0.0127(9) Uani 1 3 d S
P2 P 0.42614(16) 0.20422(16) 0.01395(8) 0.0138(5) Uani 1 1 d .
Si1 Si 0.6667 0.3333 0.8333 0.0078(12) Uani 1 6 d S
W1 W 0.64137(3) 0.49176(3) 0.835055(17) 0.02709(15) Uani 1 1 d .
W2 W 0.59271(2) 0.37319(2) 0.911602(11) 0.01228(11) Uani 1 1 d .
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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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'
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
O1 Au1 P1 180.0 . .
O1 Au1 Au2 45.162(14) . 3_665
P1 Au1 Au2 134.838(14) . 3_665
O1 Au1 Au2 45.163(14) . 2_655
P1 Au1 Au2 134.837(14) . 2_655
Au2 Au1 Au2 75.77(2) 3_665 2_655
O1 Au1 Au2 45.161(14) . .
P1 Au1 Au2 134.839(14) . .
Au2 Au1 Au2 75.77(2) 3_665 .
Au2 Au1 Au2 75.77(2) 2_655 .
O1 Au2 P2 169.3(3) . .
O1 Au2 Au1 46.0(4) . .
P2 Au2 Au1 124.88(8) . .
C2 C1 C6 121.2(11) . .
C2 C1 P1 121.5(9) . .
C6 C1 P1 117.3(9) . .
C1 C2 C3 120.1(12) . .
C1 C2 H2 119.9 . .
C3 C2 H2 119.9 . .
C4 C3 C2 119.5(12) . .
C4 C3 C7 120.6(12) . .
C2 C3 C7 119.9(13) . .
C5 C4 C3 120.4(12) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C4 C5 C6 122.1(12) . .
C4 C5 H5 119.0 . .
C6 C5 H5 119.0 . .
C5 C6 C1 116.6(11) . .
C5 C6 H6 121.7 . .
C1 C6 H6 121.7 . .
C3 C7 H7A 109.5 . .
C3 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C3 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C13 C8 C9 118.4(11) . .
C13 C8 P2 121.1(9) . .
C9 C8 P2 120.3(9) . .
C10 C9 C8 122.1(12) . .
C10 C9 H9 119.0 . .
C8 C9 H9 119.0 . .
C9 C10 C11 118.0(12) . .
C9 C10 C14 122.1(13) . .
C11 C10 C14 119.9(13) . .
C12 C11 C10 120.0(11) . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
C13 C12 C11 121.6(11) . .
C13 C12 H12 119.2 . .
C11 C12 H12 119.2 . .
C12 C13 C8 119.9(11) . .
C12 C13 H13 120.0 . .
C8 C13 H13 120.0 . .
C10 C14 H14A 109.5 . .
C10 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C10 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C20 C15 C16 120.6(11) . .
C20 C15 P2 120.9(9) . .
C16 C15 P2 118.4(9) . .
C17 C16 C15 120.6(11) . .
C17 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
C18 C17 C16 118.9(12) . .
C18 C17 C21 119.7(11) . .
C16 C17 C21 121.4(12) . .
C17 C18 C19 119.8(12) . .
C17 C18 H18 120.1 . .
C19 C18 H18 120.1 . .
C20 C19 C18 121.7(12) . .
C20 C19 H19 119.2 . .
C18 C19 H19 119.2 . .
C19 C20 C15 118.4(11) . .
C19 C20 H20 120.8 . .
C15 C20 H20 120.8 . .
C17 C21 H21A 109.5 . .
C17 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C17 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C27 C22 C23 120.5(11) . .
C27 C22 P2 121.7(9) . .
C23 C22 P2 117.8(9) . .
C24 C23 C22 119.8(12) . .
C24 C23 H23 120.1 . .
C22 C23 H23 120.1 . .
C23 C24 C25 118.2(12) . .
C23 C24 C28 120.3(13) . .
C25 C24 C28 121.5(12) . .
C26 C25 C24 121.5(12) . .
C26 C25 H25 119.3 . .
C24 C25 H25 119.3 . .
C25 C26 C27 120.6(13) . .
C25 C26 H26 119.7 . .
C27 C26 H26 119.7 . .
C26 C27 C22 119.4(13) . .
C26 C27 H27 120.3 . .
C22 C27 H27 120.3 . .
C24 C28 H28A 109.5 . .
C24 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C24 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
Au2 O1 Au2 119.96(3) 3_665 .
Au2 O1 Au2 119.96(3) 3_665 2_655
Au2 O1 Au2 119.96(3) . 2_655
Au2 O1 Au1 88.8(4) 3_665 .
Au2 O1 Au1 88.8(4) . .
Au2 O1 Au1 88.8(4) 2_655 .
W1 O4 W1 137.6(9) . 17_556
W1 O5 W2 134.9(10) . .
W2 O6 W1 136.9(11) . 18_546
W2 O7 W2 138.6(6) . 2_655
Si1 O8 O9 51.0(8) . .
Si1 O8 W2 125.6(7) . 17_556
O9 O8 W2 74.6(9) . 17_556
Si1 O8 W1 117.9(7) . 17_556
O9 O8 W1 131.4(7) . 17_556
W2 O8 W1 97.6(5) 17_556 17_556
Si1 O8 W1 117.4(7) . .
O9 O8 W1 134.2(7) . .
W2 O8 W1 97.8(6) 17_556 .
W1 O8 W1 94.2(5) 17_556 .
Si1 O9 O8 62.1(9) . 3_665
Si1 O9 O8 62.1(9) . 2_655
O8 O9 O8 99.9(11) 3_665 2_655
Si1 O9 O8 62.1(9) . .
O8 O9 O8 99.9(11) 3_665 .
O8 O9 O8 99.9(11) 2_655 .
Si1 O9 W2 124.1(5) . 17_556
O8 O9 W2 130.5(5) 3_665 17_556
O8 O9 W2 127.4(5) 2_655 17_556
O8 O9 W2 62.0(6) . 17_556
Si1 O9 W2 124.1(5) . 18_546
O8 O9 W2 127.4(5) 3_665 18_546
O8 O9 W2 62.0(6) 2_655 18_546
O8 O9 W2 130.5(5) . 18_546
W2 O9 W2 91.6(7) 17_556 18_546
Si1 O9 W2 124.1(5) . 16_656
O8 O9 W2 62.0(6) 3_665 16_656
O8 O9 W2 130.5(5) 2_655 16_656
O8 O9 W2 127.4(5) . 16_656
W2 O9 W2 91.6(7) 17_556 16_656
W2 O9 W2 91.6(7) 18_546 16_656
C1 P1 C1 105.5(4) 2_655 .
C1 P1 C1 105.5(4) 2_655 3_665
C1 P1 C1 105.5(4) . 3_665
C1 P1 Au1 113.2(4) 2_655 .
C1 P1 Au1 113.2(4) . .
C1 P1 Au1 113.2(4) 3_665 .
C8 P2 C15 106.0(5) . .
C8 P2 C22 105.8(5) . .
C15 P2 C22 105.4(5) . .
C8 P2 Au2 117.7(4) . .
C15 P2 Au2 113.4(4) . .
C22 P2 Au2 107.7(4) . .
O9 Si1 O9 179.995(2) 16_656 .
O9 Si1 O8 66.9(5) 16_656 18_546
O9 Si1 O8 113.1(5) . 18_546
O9 Si1 O8 66.9(5) 16_656 16_656
O9 Si1 O8 113.1(5) . 16_656
O8 Si1 O8 105.6(5) 18_546 16_656
O9 Si1 O8 113.1(5) 16_656 .
O9 Si1 O8 66.9(5) . .
O8 Si1 O8 74.4(5) 18_546 .
O8 Si1 O8 179.996(5) 16_656 .
O9 Si1 O8 66.9(5) 16_656 17_556
O9 Si1 O8 113.1(5) . 17_556
O8 Si1 O8 105.6(5) 18_546 17_556
O8 Si1 O8 105.6(5) 16_656 17_556
O8 Si1 O8 74.4(5) . 17_556
O9 Si1 O8 113.1(5) 16_656 3_665
O9 Si1 O8 66.9(5) . 3_665
O8 Si1 O8 179.996(8) 18_546 3_665
O8 Si1 O8 74.4(5) 16_656 3_665
O8 Si1 O8 105.6(5) . 3_665
O8 Si1 O8 74.4(5) 17_556 3_665
O9 Si1 O8 113.1(5) 16_656 2_655
O9 Si1 O8 66.9(5) . 2_655
O8 Si1 O8 74.4(5) 18_546 2_655
O8 Si1 O8 74.4(5) 16_656 2_655
O8 Si1 O8 105.6(5) . 2_655
O8 Si1 O8 179.994(4) 17_556 2_655
O8 Si1 O8 105.6(5) 3_665 2_655
O2 W1 O4 101.1(7) . .
O2 W1 O5 100.1(6) . .
O4 W1 O5 91.8(7) . .
O2 W1 O4 100.0(7) . 18_546
O4 W1 O4 158.6(12) . 18_546
O5 W1 O4 88.2(5) . 18_546
O2 W1 O6 99.9(7) . 17_556
O4 W1 O6 86.9(5) . 17_556
O5 W1 O6 159.9(8) . 17_556
O4 W1 O6 85.9(7) 18_546 17_556
O2 W1 O8 155.1(5) . 18_546
O4 W1 O8 97.1(8) . 18_546
O5 W1 O8 62.3(6) . 18_546
O4 W1 O8 64.1(6) 18_546 18_546
O6 W1 O8 97.9(7) 17_556 18_546
O2 W1 O8 154.6(5) . .
O4 W1 O8 64.1(6) . .
O5 W1 O8 100.9(7) . .
O4 W1 O8 94.8(8) 18_546 .
O6 W1 O8 60.5(6) 17_556 .
O8 W1 O8 50.2(7) 18_546 .
O3 W2 O7 100.2(5) . .
O3 W2 O6 102.2(8) . .
O7 W2 O6 90.1(5) . .
O3 W2 O5 100.7(7) . .
O7 W2 O5 158.8(7) . .
O6 W2 O5 88.8(4) . .
O3 W2 O7 100.1(6) . 3_665
O7 W2 O7 89.0(5) . 3_665
O6 W2 O7 157.5(8) . 3_665
O5 W2 O7 84.0(5) . 3_665
O3 W2 O8 159.5(6) . 18_546
O7 W2 O8 95.6(5) . 18_546
O6 W2 O8 64.5(7) . 18_546
O5 W2 O8 65.0(7) . 18_546
O7 W2 O8 93.2(5) 3_665 18_546
O3 W2 O9 157.1(7) . 16_656
O7 W2 O9 64.9(5) . 16_656
O6 W2 O9 95.3(8) . 16_656
O5 W2 O9 94.2(7) . 16_656
O7 W2 O9 64.1(4) 3_665 16_656
O8 W2 O9 43.3(6) 18_546 16_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 O1 2.124(13) .
Au1 P1 2.217(5) .
Au1 Au2 2.9522(7) 3_665
Au1 Au2 2.9523(7) 2_655
Au1 Au2 2.9524(7) .
Au2 O1 2.0939(6) .
Au2 P2 2.216(3) .
C1 C2 1.380(16) .
C1 C6 1.423(16) .
C1 P1 1.807(11) .
C2 C3 1.412(16) .
C2 H2 0.9500 .
C3 C4 1.38(2) .
C3 C7 1.512(19) .
C4 C5 1.372(19) .
C4 H4 0.9500 .
C5 C6 1.418(19) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C13 1.402(16) .
C8 C9 1.413(16) .
C8 P2 1.813(12) .
C9 C10 1.382(18) .
C9 H9 0.9500 .
C10 C11 1.417(18) .
C10 C14 1.492(19) .
C11 C12 1.390(18) .
C11 H11 0.9500 .
C12 C13 1.370(17) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C20 1.391(17) .
C15 C16 1.412(16) .
C15 P2 1.815(11) .
C16 C17 1.398(17) .
C16 H16 0.9500 .
C17 C18 1.392(18) .
C17 C21 1.509(18) .
C18 C19 1.409(18) .
C18 H18 0.9500 .
C19 C20 1.388(18) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C27 1.401(16) .
C22 C23 1.405(17) .
C22 P2 1.832(12) .
C23 C24 1.392(17) .
C23 H23 0.9500 .
C24 C25 1.420(19) .
C24 C28 1.51(2) .
C25 C26 1.36(2) .
C25 H25 0.9500 .
C26 C27 1.381(19) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
O1 Au2 2.0939(6) 3_665
O1 Au2 2.0940(6) 2_655
O2 W1 1.670(9) .
O3 W2 1.682(10) .
O4 W1 1.883(12) .
O4 W1 1.907(12) 17_556
O5 W1 1.888(14) .
O5 W2 1.921(10) .
O6 W2 1.866(11) .
O6 W1 1.929(15) 18_546
O7 W2 1.860(9) .
O7 W2 1.932(9) 2_655
O8 Si1 1.692(15) .
O8 O9 1.760(18) .
O8 W2 2.265(15) 17_556
O8 W1 2.408(14) 17_556
O8 W1 2.418(13) .
O9 Si1 1.49(3) .
O9 O8 1.760(18) 3_665
O9 O8 1.760(18) 2_655
O9 W2 2.474(14) 17_556
O9 W2 2.474(14) 18_546
O9 W2 2.474(14) 16_656
P1 C1 1.807(11) 2_655
P1 C1 1.807(11) 3_665
Si1 O9 1.49(3) 16_656
Si1 O8 1.692(15) 18_546
Si1 O8 1.692(15) 16_656
Si1 O8 1.692(15) 17_556
Si1 O8 1.692(15) 3_665
Si1 O8 1.692(15) 2_655
W1 O4 1.907(12) 18_546
W1 O6 1.929(15) 17_556
W1 O8 2.408(14) 18_546
W2 O7 1.932(9) 3_665
W2 O8 2.265(15) 18_546
W2 O9 2.474(14) 16_656
