#------------------------------------------------------------------------------
#$Date: 2016-09-10 02:33:59 +0300 (Sat, 10 Sep 2016) $
#$Revision: 186412 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/00/7040049.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_7040049
loop_
_publ_author_name
'Nagashima, Eri'
'Yoshida, Takuya'
'Matsunaga, Satoshi'
'Nomiya, Kenji'
_publ_section_title
;
 The effect of counteranions on the molecular structures of
 phosphanegold(i) cluster cations formed by polyoxometalate (POM)-mediated
 clusterization.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13565
_journal_page_last               13575
_journal_paper_doi               10.1039/c6dt02670b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C164 H144 Au8 Cl32 F6 Mo12 O50 P10'
_chemical_formula_weight         7199.90
_chemical_name_common            3-PMo12PF6
_chemical_name_systematic        '[{(AuLCl)4(μ4-O)}]2[α-PMo12O40]PF6'
_space_group_IT_number           85
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-07-18 deposited with the CCDC.
2016-07-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   22.6489(7)
_cell_length_b                   22.6489(7)
_cell_length_c                   23.3214(9)
_cell_measurement_reflns_used    21461
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.4855
_cell_measurement_theta_min      3.0861
_cell_volume                     11963.2(7)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2008)'
_computing_molecular_graphics    'Yadokari-XG (Wakita, Nemoto et al., 2009)'
_computing_publication_material  'Yadokari-XG (Wakita, Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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     0.71075
_diffrn_reflns_av_R_equivalents  0.0772
_diffrn_reflns_av_sigmaI/netI    0.0360
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            162854
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    5.980
_exptl_absorpt_correction_T_max  0.8898
_exptl_absorpt_correction_T_min  0.4296
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC Inc., 2008)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.999
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             6824
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: CH2Cl2/Et2O'
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.552
_refine_diff_density_min         -1.683
_refine_diff_density_rms         0.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     619
_refine_ls_number_reflns         13675
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0824
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+158.9269P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2822
_refine_ls_wR_factor_ref         0.2888
_reflns_number_gt                12739
_reflns_number_total             13675
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt02670b1.cif
_cod_data_source_block           1505182
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7040046--7040049.cif.
;
_cod_original_sg_symbol_H-M      P4/n
_cod_database_code               7040049
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mo1 Mo 0.20262(7) 0.09993(5) 0.81187(5) 0.0521(4) Uani 1 1 d .
Mo2 Mo 0.15083(6) 0.19949(6) 0.70472(6) 0.0514(3) Uani 1 1 d .
Mo3 Mo 0.15164(6) 0.19868(6) 0.91883(6) 0.0512(4) Uani 1 1 d .
O1 O 0.2628(5) 0.0996(7) 0.7559(6) 0.079(4) Uani 1 1 d .
O2 O 0.2248(5) 0.1716(7) 0.6763(6) 0.080(5) Uani 1 1 d .
O3 O 0.1059(5) 0.1762(6) 0.6529(5) 0.064(3) Uani 1 1 d .
O4 O 0.1808(7) 0.0306(5) 0.8105(6) 0.076(4) Uani 1 1 d .
O5 O 0.1050(6) 0.1754(6) 0.9691(5) 0.071(4) Uani 1 1 d .
O6 O 0.0975(7) 0.2376(5) 0.8687(7) 0.086(5) Uani 1 1 d .
O7 O 0.1531(5) 0.1337(8) 0.8676(5) 0.081(5) Uani 1 1 d .
O8 O 0.1526(5) 0.1338(7) 0.7556(6) 0.076(4) Uani 1 1 d .
O9 O 0.2254(6) 0.1720(7) 0.9469(6) 0.078(4) Uani 1 1 d .
P1 P 0.2500 0.2500 0.8117(2) 0.0274(11) Uani 1 4 d S
O10 O 0.2342(7) 0.1980(7) 0.8513(6) 0.026(3) Uani 0.50 1 d P
O11 O 0.2328(6) 0.1980(6) 0.7742(6) 0.023(3) Uani 0.50 1 d P
P2 P 0.22468(14) 0.06894(13) 0.51790(14) 0.0336(6) Uani 1 1 d .
Au1 Au 0.23722(2) 0.16129(2) 0.54595(2) 0.03493(17) Uani 1 1 d .
O12 O 0.2500 0.2500 0.5722(6) 0.023(3) Uani 1 4 d S
C1 C 0.1722(5) 0.0638(5) 0.4588(5) 0.033(2) Uani 1 1 d .
C2 C 0.1390(6) 0.0118(6) 0.4505(5) 0.039(3) Uani 1 1 d .
H1 H 0.1434 -0.0205 0.4761 0.046 Uiso 1 1 calc R
C3 C 0.1006(7) 0.0081(8) 0.4058(7) 0.050(3) Uani 1 1 d .
H2 H 0.0758 -0.0255 0.4018 0.060 Uiso 1 1 calc R
C4 C 0.0977(7) 0.0542(8) 0.3658(7) 0.052(4) Uani 1 1 d .
C5 C 0.1302(8) 0.1060(9) 0.3741(7) 0.060(4) Uani 1 1 d .
H3 H 0.1264 0.1382 0.3482 0.073 Uiso 1 1 calc R
C6 C 0.1679(7) 0.1096(7) 0.4207(6) 0.048(3) Uani 1 1 d .
H4 H 0.1910 0.1441 0.4263 0.057 Uiso 1 1 calc R
C7 C 0.2003(5) 0.0184(6) 0.5755(5) 0.035(2) Uani 1 1 d .
C8 C 0.1688(7) 0.0425(7) 0.6200(7) 0.052(4) Uani 1 1 d .
H5 H 0.1603 0.0836 0.6209 0.062 Uiso 1 1 calc R
C9 C 0.1497(8) 0.0055(10) 0.6638(7) 0.065(5) Uani 1 1 d .
H6 H 0.1286 0.0216 0.6953 0.078 Uiso 1 1 calc R
C10 C 0.1609(9) -0.0535(10) 0.6620(8) 0.069(5) Uani 1 1 d .
C11 C 0.1942(9) -0.0769(10) 0.6158(10) 0.077(6) Uani 1 1 d .
H7 H 0.2025 -0.1180 0.6143 0.093 Uiso 1 1 calc R
C12 C 0.2145(6) -0.0402(6) 0.5734(7) 0.046(3) Uani 1 1 d .
H8 H 0.2380 -0.0552 0.5430 0.055 Uiso 1 1 calc R
C13 C 0.2918(5) 0.0361(5) 0.4905(6) 0.037(3) Uani 1 1 d .
C14 C 0.2937(6) 0.0079(6) 0.4377(6) 0.041(3) Uani 1 1 d .
H9 H 0.2597 0.0069 0.4138 0.049 Uiso 1 1 calc R
C15 C 0.3461(6) -0.0188(7) 0.4203(6) 0.045(3) Uani 1 1 d .
H10 H 0.3479 -0.0385 0.3844 0.054 Uiso 1 1 calc R
C16 C 0.3956(5) -0.0169(6) 0.4548(6) 0.040(3) Uani 1 1 d .
C17 C 0.3946(6) 0.0138(6) 0.5063(6) 0.044(3) Uani 1 1 d .
H11 H 0.4295 0.0179 0.5285 0.053 Uiso 1 1 calc R
C18 C 0.3425(6) 0.0383(6) 0.5247(6) 0.043(3) Uani 1 1 d .
H12 H 0.3408 0.0569 0.5612 0.052 Uiso 1 1 calc R
Cl1 Cl 0.0492(2) 0.0504(3) 0.30897(18) 0.0741(13) Uani 1 1 d .
Cl2 Cl 0.1361(3) -0.1005(4) 0.7145(3) 0.101(2) Uani 1 1 d .
Cl3 Cl 0.46057(15) -0.04914(16) 0.43169(18) 0.0497(8) Uani 1 1 d .
P3 P 0.13561(14) 0.10420(14) 0.10572(15) 0.0358(7) Uani 1 1 d .
Au2 Au 0.19521(2) 0.17915(2) 0.08675(2) 0.03374(17) Uani 1 1 d .
O13 O 0.2500 0.2500 0.0652(8) 0.030(3) Uani 1 4 d S
C19 C 0.0627(6) 0.1301(6) 0.1228(6) 0.038(3) Uani 1 1 d .
C20 C 0.0318(7) 0.1613(10) 0.0825(8) 0.070(6) Uani 1 1 d .
H13 H 0.0473 0.1660 0.0450 0.084 Uiso 1 1 calc R
C21 C -0.0239(8) 0.1868(11) 0.0972(8) 0.080(7) Uani 1 1 d .
H14 H -0.0459 0.2082 0.0695 0.096 Uiso 1 1 calc R
C22 C -0.0456(5) 0.1798(6) 0.1525(6) 0.040(3) Uani 1 1 d .
C23 C -0.0142(8) 0.1515(9) 0.1939(7) 0.060(4) Uani 1 1 d .
H15 H -0.0287 0.1484 0.2320 0.072 Uiso 1 1 calc R
C24 C 0.0399(8) 0.1271(9) 0.1782(7) 0.060(4) Uani 1 1 d .
H16 H 0.0624 0.1074 0.2068 0.072 Uiso 1 1 calc R
Cl4 Cl -0.11287(17) 0.21101(19) 0.1698(2) 0.0613(10) Uani 1 1 d .
C25 C 0.1606(6) 0.0600(6) 0.1660(5) 0.037(3) Uani 1 1 d .
C26 C 0.1963(6) 0.0842(6) 0.2072(6) 0.041(3) Uani 1 1 d .
H17 H 0.2072 0.1246 0.2042 0.050 Uiso 1 1 calc R
C27 C 0.2167(7) 0.0519(8) 0.2525(7) 0.056(4) Uani 1 1 d .
H18 H 0.2411 0.0694 0.2809 0.067 Uiso 1 1 calc R
C28 C 0.2006(8) -0.0076(7) 0.2562(7) 0.054(4) Uani 1 1 d .
C29 C 0.1635(7) -0.0335(6) 0.2165(6) 0.046(3) Uani 1 1 d .
H19 H 0.1523 -0.0738 0.2201 0.056 Uiso 1 1 calc R
C30 C 0.1426(5) 0.0010(5) 0.1705(6) 0.037(3) Uani 1 1 d .
H20 H 0.1166 -0.0156 0.1429 0.044 Uiso 1 1 calc R
Cl5 Cl 0.2269(2) -0.0514(2) 0.31217(17) 0.0670(12) Uani 1 1 d .
C31 C 0.1325(6) 0.0539(6) 0.0462(5) 0.034(2) Uani 1 1 d .
C32 C 0.1818(7) 0.0488(6) 0.0120(7) 0.049(3) Uani 1 1 d .
H21 H 0.2150 0.0734 0.0192 0.059 Uiso 1 1 calc R
C33 C 0.1839(8) 0.0085(7) -0.0326(8) 0.054(4) Uani 1 1 d .
H22 H 0.2185 0.0048 -0.0554 0.065 Uiso 1 1 calc R
C34 C 0.1356(9) -0.0262(7) -0.0437(7) 0.060(4) Uani 1 1 d .
C35 C 0.0857(9) -0.0228(8) -0.0114(8) 0.065(5) Uani 1 1 d .
H23 H 0.0529 -0.0477 -0.0191 0.078 Uiso 1 1 calc R
C36 C 0.0839(7) 0.0183(9) 0.0335(7) 0.059(4) Uani 1 1 d .
H24 H 0.0490 0.0220 0.0557 0.071 Uiso 1 1 calc R
Cl6 Cl 0.1397(3) -0.0780(3) -0.0986(2) 0.0945(19) Uani 1 1 d .
P4 P 0.2500 0.2500 0.3077(5) 0.065(2) Uani 1 4 d S
F1 F 0.1839(6) 0.2324(7) 0.3108(10) 0.133(8) Uani 1 1 d .
F2 F 0.2500 0.2500 0.241(2) 0.177(19) Uani 1 4 d S
F3 F 0.2500 0.2500 0.3737(16) 0.152(15) Uani 1 4 d S
C37 C 0.672(3) 0.183(2) 0.417(2) 0.26(4) Uani 1 1 d .
H25 H 0.6587 0.1723 0.3781 0.314 Uiso 1 1 calc R
H26 H 0.7160 0.1836 0.4158 0.314 Uiso 1 1 calc R
Cl7 Cl 0.6516(9) 0.2511(7) 0.4276(8) 0.233(7) Uani 1 1 d .
Cl8 Cl 0.6532(6) 0.1319(6) 0.4590(6) 0.178(5) Uani 1 1 d .
O14 O 0.5988(11) 0.0413(10) 0.1244(10) 0.125(7) Uiso 1 1 d .
C38 C 0.5879(13) -0.0186(13) 0.1396(13) 0.102(8) Uiso 1 1 d .
H27 H 0.6223 -0.0347 0.1607 0.123 Uiso 1 1 calc R
H28 H 0.5821 -0.0426 0.1046 0.123 Uiso 1 1 calc R
C39 C 0.5338(14) -0.0218(14) 0.1765(12) 0.107(8) Uiso 1 1 d .
H29 H 0.5256 -0.0631 0.1861 0.161 Uiso 1 1 calc R
H30 H 0.5002 -0.0051 0.1557 0.161 Uiso 1 1 calc R
H31 H 0.5404 0.0007 0.2119 0.161 Uiso 1 1 calc R
C40 C 0.649(2) 0.048(2) 0.091(2) 0.179(18) Uiso 1 1 d .
H32 H 0.6431 0.0276 0.0534 0.215 Uiso 1 1 calc R
H33 H 0.6834 0.0302 0.1100 0.215 Uiso 1 1 calc R
C41 C 0.661(3) 0.121(3) 0.079(2) 0.21(2) Uiso 1 1 d .
H34 H 0.6968 0.1261 0.0552 0.310 Uiso 1 1 calc R
H35 H 0.6674 0.1413 0.1158 0.310 Uiso 1 1 calc R
H36 H 0.6274 0.1387 0.0593 0.310 Uiso 1 1 calc R
O15 O 0.3105(14) -0.0986(13) 0.7298(12) 0.164(10) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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
O4 Mo1 O7 102.9(8) . .
O4 Mo1 O1 101.6(8) . .
O7 Mo1 O1 155.6(8) . .
O4 Mo1 O6 101.5(7) . 3
O7 Mo1 O6 87.4(5) . 3
O1 Mo1 O6 88.1(6) . 3
O4 Mo1 O8 101.1(7) . .
O7 Mo1 O8 87.6(6) . .
O1 Mo1 O8 87.3(5) . .
O6 Mo1 O8 157.3(8) 3 .
O4 Mo1 O11 158.2(6) . .
O7 Mo1 O11 92.6(7) . .
O1 Mo1 O11 63.9(6) . .
O6 Mo1 O11 94.4(7) 3 .
O8 Mo1 O11 63.7(6) . .
O4 Mo1 O10 159.6(6) . .
O7 Mo1 O10 63.6(6) . .
O1 Mo1 O10 92.9(6) . .
O6 Mo1 O10 64.3(6) 3 .
O8 Mo1 O10 93.8(6) . .
O11 Mo1 O10 42.2(5) . .
O3 Mo2 O1 103.2(7) . 4
O3 Mo2 O2 100.6(7) . 4
O1 Mo2 O2 87.9(5) 4 4
O3 Mo2 O8 102.6(7) . .
O1 Mo2 O8 88.4(6) 4 .
O2 Mo2 O8 156.8(7) 4 .
O3 Mo2 O2 100.4(7) . .
O1 Mo2 O2 156.4(7) 4 .
O2 Mo2 O2 87.8(8) 4 .
O8 Mo2 O2 86.5(5) . .
O3 Mo2 O11 159.0(6) . .
O1 Mo2 O11 93.1(6) 4 .
O2 Mo2 O11 93.2(6) 4 .
O8 Mo2 O11 64.2(6) . .
O2 Mo2 O11 64.1(5) . .
O3 Mo2 O11 159.3(6) . 4
O1 Mo2 O11 64.4(6) 4 4
O2 Mo2 O11 64.0(6) 4 4
O8 Mo2 O11 93.9(6) . 4
O2 Mo2 O11 93.1(6) . 4
O11 Mo2 O11 41.6(6) . 4
O5 Mo3 O9 102.5(8) . .
O5 Mo3 O7 102.1(7) . .
O9 Mo3 O7 87.4(5) . .
O5 Mo3 O9 101.4(7) . 4
O9 Mo3 O9 87.3(8) . 4
O7 Mo3 O9 156.5(7) . 4
O5 Mo3 O6 99.8(8) . .
O9 Mo3 O6 157.7(7) . .
O7 Mo3 O6 89.1(6) . .
O9 Mo3 O6 87.1(5) 4 .
O5 Mo3 O10 158.4(6) . 4
O9 Mo3 O10 92.4(6) . 4
O7 Mo3 O10 94.0(6) . 4
O9 Mo3 O10 63.4(6) 4 4
O6 Mo3 O10 65.9(6) . 4
O5 Mo3 O10 159.7(6) . .
O9 Mo3 O10 63.0(6) . .
O7 Mo3 O10 64.9(6) . .
O9 Mo3 O10 92.4(6) 4 .
O6 Mo3 O10 95.7(7) . .
O10 Mo3 O10 41.8(7) 4 .
Mo2 O1 Mo1 140.3(9) 3 .
Mo2 O2 Mo2 138.9(8) 3 .
Mo1 O6 Mo3 137.7(9) 4 .
Mo1 O7 Mo3 139.7(9) . .
Mo1 O8 Mo2 139.5(8) . .
Mo3 O9 Mo3 139.2(8) . 3
O11 P1 O11 70.5(6) 2 4
O11 P1 O11 109.5(11) 2 .
O11 P1 O11 70.5(6) 4 .
O11 P1 O11 70.5(6) 2 3
O11 P1 O11 109.5(11) 4 3
O11 P1 O11 70.5(6) . 3
O11 P1 O10 111.2(8) 2 4
O11 P1 O10 72.1(8) 4 4
O11 P1 O10 109.3(8) . 4
O11 P1 O10 178.0(8) 3 4
O11 P1 O10 109.3(8) 2 3
O11 P1 O10 178.0(8) 4 3
O11 P1 O10 111.2(8) . 3
O11 P1 O10 72.1(8) 3 3
O10 P1 O10 106.3(11) 4 3
O11 P1 O10 72.1(8) 2 2
O11 P1 O10 109.3(8) 4 2
O11 P1 O10 178.0(8) . 2
O11 P1 O10 111.2(8) 3 2
O10 P1 O10 68.9(6) 4 2
O10 P1 O10 68.9(6) 3 2
O11 P1 O10 178.0(8) 2 .
O11 P1 O10 111.2(8) 4 .
O11 P1 O10 72.1(8) . .
O11 P1 O10 109.3(8) 3 .
O10 P1 O10 68.9(6) 4 .
O10 P1 O10 68.9(6) 3 .
O10 P1 O10 106.3(11) 2 .
P1 O10 O10 55.5(3) . 4
P1 O10 O10 55.5(3) . 3
O10 O10 O10 89.999(8) 4 3
P1 O10 O11 53.5(6) . .
O10 O10 O11 89.5(7) 4 .
O10 O10 O11 90.9(7) 3 .
P1 O10 Mo3 125.0(8) . 3
O10 O10 Mo3 132.6(4) 4 3
O10 O10 Mo3 69.6(7) 3 3
O11 O10 Mo3 131.3(8) . 3
P1 O10 Mo3 124.1(8) . .
O10 O10 Mo3 68.6(7) 4 .
O10 O10 Mo3 132.2(4) 3 .
O11 O10 Mo3 129.1(9) . .
Mo3 O10 Mo3 93.6(5) 3 .
P1 O10 Mo1 121.7(7) . .
O10 O10 Mo1 130.4(9) 4 .
O10 O10 Mo1 131.9(9) 3 .
O11 O10 Mo1 68.2(6) . .
Mo3 O10 Mo1 91.9(5) 3 .
Mo3 O10 Mo1 91.3(5) . .
P1 O11 O11 54.7(3) . 4
P1 O11 O11 54.7(3) . 3
O11 O11 O11 90.003(7) 4 3
P1 O11 O10 54.4(7) . .
O11 O11 O10 90.5(6) 4 .
O11 O11 O10 89.1(7) 3 .
P1 O11 Mo2 124.3(7) . .
O11 O11 Mo2 69.5(7) 4 .
O11 O11 Mo2 131.9(4) 3 .
O10 O11 Mo2 132.1(9) . .
P1 O11 Mo2 123.6(8) . 3
O11 O11 Mo2 131.6(4) 4 3
O11 O11 Mo2 68.9(7) 3 3
O10 O11 Mo2 130.0(8) . 3
Mo2 O11 Mo2 92.4(5) . 3
P1 O11 Mo1 124.0(8) . .
O11 O11 Mo1 132.5(9) 4 .
O11 O11 Mo1 130.3(9) 3 .
O10 O11 Mo1 69.6(7) . .
Mo2 O11 Mo1 92.2(5) . .
Mo2 O11 Mo1 90.9(4) 3 .
C13 P2 C1 104.7(6) . .
C13 P2 C7 104.7(6) . .
C1 P2 C7 108.4(6) . .
C13 P2 Au1 112.7(4) . .
C1 P2 Au1 111.6(4) . .
C7 P2 Au1 114.1(4) . .
O12 Au1 P2 179.4(3) . .
O12 Au1 Au1 47.40(11) . 4
P2 Au1 Au1 132.91(9) . 4
O12 Au1 Au1 47.40(11) . 3
P2 Au1 Au1 132.05(8) . 3
Au1 Au1 Au1 90.003(1) 4 3
Au1 O12 Au1 146.4(8) 2 .
Au1 O12 Au1 85.2(2) 2 4
Au1 O12 Au1 85.2(2) . 4
Au1 O12 Au1 85.2(2) 2 3
Au1 O12 Au1 85.2(2) . 3
Au1 O12 Au1 146.4(8) 4 3
C6 C1 C2 120.3(13) . .
C6 C1 P2 119.3(10) . .
C2 C1 P2 120.3(10) . .
C3 C2 C1 119.9(14) . .
C2 C3 C4 119.5(14) . .
C5 C4 C3 120.6(13) . .
C5 C4 Cl1 118.8(13) . .
C3 C4 Cl1 120.3(12) . .
C6 C5 C4 118.7(16) . .
C1 C6 C5 120.6(15) . .
C12 C7 C8 122.4(13) . .
C12 C7 P2 120.3(10) . .
C8 C7 P2 117.3(11) . .
C7 C8 C9 118.5(16) . .
C10 C9 C8 120.8(18) . .
C9 C10 C11 119.3(17) . .
C9 C10 Cl2 121.8(17) . .
C11 C10 Cl2 118.9(17) . .
C12 C11 C10 119.9(19) . .
C7 C12 C11 119.0(16) . .
C14 C13 C18 119.8(12) . .
C14 C13 P2 121.9(10) . .
C18 C13 P2 118.3(10) . .
C13 C14 C15 119.0(13) . .
C16 C15 C14 120.6(13) . .
C15 C16 C17 120.5(12) . .
C15 C16 Cl3 119.7(11) . .
C17 C16 Cl3 119.7(10) . .
C18 C17 C16 119.1(13) . .
C17 C18 C13 120.9(13) . .
C19 P3 C31 110.0(6) . .
C19 P3 C25 107.1(6) . .
C31 P3 C25 105.1(6) . .
C19 P3 Au2 110.8(4) . .
C31 P3 Au2 110.8(4) . .
C25 P3 Au2 112.8(4) . .
O13 Au2 P3 177.5(5) . .
O13 Au2 Au2 46.66(11) . 4
P3 Au2 Au2 133.11(9) . 4
O13 Au2 Au2 46.66(11) . 3
P3 Au2 Au2 134.60(9) . 3
Au2 Au2 Au2 90.0 4 3
Au2 O13 Au2 86.7(2) 4 2
Au2 O13 Au2 86.7(2) 4 .
Au2 O13 Au2 152.1(9) 2 .
Au2 O13 Au2 152.2(9) 4 3
Au2 O13 Au2 86.7(2) 2 3
Au2 O13 Au2 86.7(2) . 3
C20 C19 C24 118.2(14) . .
C20 C19 P3 119.1(11) . .
C24 C19 P3 122.1(11) . .
C19 C20 C21 119.7(15) . .
C22 C21 C20 119.3(15) . .
C23 C22 C21 121.9(13) . .
C23 C22 Cl4 119.2(11) . .
C21 C22 Cl4 118.9(12) . .
C22 C23 C24 117.4(14) . .
C19 C24 C23 123.4(15) . .
C26 C25 C30 119.9(13) . .
C26 C25 P3 120.5(10) . .
C30 C25 P3 119.6(10) . .
C27 C26 C25 121.9(13) . .
C26 C27 C28 118.5(14) . .
C29 C28 C27 121.7(15) . .
C29 C28 Cl5 117.9(13) . .
C27 C28 Cl5 120.4(13) . .
C28 C29 C30 118.7(14) . .
C25 C30 C29 119.2(13) . .
C32 C31 C36 117.9(13) . .
C32 C31 P3 118.0(10) . .
C36 C31 P3 124.2(11) . .
C31 C32 C33 121.2(13) . .
C34 C33 C32 119.4(16) . .
C35 C34 C33 121.8(16) . .
C35 C34 Cl6 119.4(14) . .
C33 C34 Cl6 118.8(15) . .
C34 C35 C36 118.4(16) . .
C31 C36 C35 121.3(15) . .
F3 P4 F2 180.000(8) . .
F3 P4 F1 87.3(10) . 3
F2 P4 F1 92.7(10) . 3
F3 P4 F1 87.3(10) . .
F2 P4 F1 92.7(10) . .
F1 P4 F1 89.87(10) 3 .
F3 P4 F1 87.3(10) . 2
F2 P4 F1 92.7(10) . 2
F1 P4 F1 89.87(9) 3 2
F1 P4 F1 174.6(19) . 2
F3 P4 F1 87.3(10) . 4
F2 P4 F1 92.7(10) . 4
F1 P4 F1 174.6(19) 3 4
F1 P4 F1 89.87(9) . 4
F1 P4 F1 89.87(9) 2 4
Cl8 C37 Cl7 122(3) . .
C40 O14 C38 113(3) . .
O14 C38 C39 109(3) . .
O14 C40 C41 109(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O4 1.646(12) .
Mo1 O7 1.880(11) .
Mo1 O1 1.889(12) .
Mo1 O6 1.894(13) 3
Mo1 O8 1.896(12) .
Mo1 O11 2.485(14) .
Mo1 O10 2.509(15) .
Mo2 O3 1.666(11) .
Mo2 O1 1.869(13) 4
Mo2 O2 1.897(12) 4
Mo2 O8 1.904(12) .
Mo2 O2 1.910(13) .
Mo2 O11 2.463(14) .
Mo2 O11 2.474(14) 4
Mo3 O5 1.664(11) .
Mo3 O9 1.894(13) .
Mo3 O7 1.895(13) .
Mo3 O9 1.897(13) 4
Mo3 O6 1.910(12) .
Mo3 O10 2.429(15) 4
Mo3 O10 2.445(14) .
O1 Mo2 1.869(13) 3
O2 Mo2 1.897(12) 3
O6 Mo1 1.894(13) 4
O9 Mo3 1.897(13) 3
P1 O11 1.518(14) 2
P1 O11 1.518(14) 4
P1 O11 1.519(14) .
P1 O11 1.519(14) 3
P1 O10 1.537(16) 4
P1 O10 1.537(16) 3
P1 O10 1.537(16) 2
P1 O10 1.537(16) .
O10 O10 1.74(2) 4
O10 O10 1.74(2) 3
O10 O11 1.80(2) .
O10 Mo3 2.429(15) 3
O11 O11 1.75(2) 4
O11 O11 1.75(2) 3
O11 Mo2 2.474(14) 3
P2 C13 1.809(13) .
P2 C1 1.824(13) .
P2 C7 1.849(12) .
P2 Au1 2.210(3) .
Au1 O12 2.120(4) .
Au1 Au1 2.8708(7) 4
Au1 Au1 2.8709(7) 3
O12 Au1 2.120(4) 2
O12 Au1 2.120(4) 4
O12 Au1 2.120(4) 3
C1 C6 1.37(2) .
C1 C2 1.411(18) .
C2 C3 1.36(2) .
C3 C4 1.40(2) .
C4 C5 1.40(3) .
C4 Cl1 1.725(14) .
C5 C6 1.39(2) .
C7 C12 1.366(19) .
C7 C8 1.37(2) .
C8 C9 1.39(2) .
C9 C10 1.36(3) .
C10 C11 1.42(3) .
C10 Cl2 1.716(18) .
C11 C12 1.37(2) .
C13 C14 1.386(18) .
C13 C18 1.400(18) .
C14 C15 1.394(19) .
C15 C16 1.379(19) .
C16 C17 1.388(19) .
C16 Cl3 1.730(13) .
C17 C18 1.372(19) .
P3 C19 1.796(13) .
P3 C31 1.797(13) .
P3 C25 1.815(13) .
P3 Au2 2.213(3) .
Au2 O13 2.090(4) .
Au2 Au2 2.8688(6) 4
Au2 Au2 2.8688(6) 3
O13 Au2 2.090(4) 4
O13 Au2 2.090(4) 2
O13 Au2 2.090(4) 3
C19 C20 1.37(2) .
C19 C24 1.39(2) .
C20 C21 1.43(2) .
C21 C22 1.39(2) .
C22 C23 1.36(2) .
C22 Cl4 1.727(12) .
C23 C24 1.39(2) .
C25 C26 1.372(18) .
C25 C30 1.403(17) .
C26 C27 1.37(2) .
C27 C28 1.40(2) .
C28 C29 1.38(2) .
C28 Cl5 1.744(16) .
C29 C30 1.41(2) .
C31 C32 1.376(19) .
C31 C36 1.40(2) .
C32 C33 1.39(2) .
C33 C34 1.37(2) .
C34 C35 1.36(3) .
C34 Cl6 1.739(18) .
C35 C36 1.40(2) .
P4 F3 1.54(4) .
P4 F2 1.55(5) .
P4 F1 1.551(13) 3
P4 F1 1.551(13) .
P4 F1 1.551(13) 2
P4 F1 1.551(13) 4
C37 Cl8 1.58(5) .
C37 Cl7 1.62(4) .
O14 C40 1.39(5) .
O14 C38 1.42(3) .
C38 C39 1.50(4) .
C40 C41 1.70(6) .
