#------------------------------------------------------------------------------
#$Date: 2019-11-28 18:50:51 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244339 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/87/7238767.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_7238767
loop_
_publ_author_name
'Tang, Yu'
'Yu, Biao'
_publ_section_title
;
 Identification of (phosphine)gold(i) hydrates and their equilibria in wet
 solutions
;
_journal_issue                   33
_journal_name_full               'RSC Advances'
_journal_page_first              12686
_journal_paper_doi               10.1039/c2ra22282e
_journal_volume                  2
_journal_year                    2012
_chemical_formula_sum            'C74 H60 Au4 F6 O8 P4 S2'
_chemical_formula_weight         2167.09
_space_group_IT_number           88
_space_group_name_Hall           '-I 4ad'
_space_group_name_H-M_alt        'I 41/a :2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 41/a :2'
_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                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.4779(15)
_cell_length_b                   20.4779(15)
_cell_length_c                   34.934(3)
_cell_measurement_reflns_used    9998
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      30.08
_cell_measurement_theta_min      2.81
_cell_volume                     14649(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0294
_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       45
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            71755
_diffrn_reflns_theta_full        30.53
_diffrn_reflns_theta_max         30.53
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    8.200
_exptl_absorpt_correction_T_max  0.4944
_exptl_absorpt_correction_T_min  0.2908
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.965
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             8240
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.688
_refine_diff_density_min         -2.117
_refine_diff_density_rms         0.230
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         11209
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0843
_refine_ls_R_factor_gt           0.0547
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0773P)²+357.8608P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1462
_refine_ls_wR_factor_ref         0.1713
_reflns_number_gt                8179
_reflns_number_total             11209
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ra22282e.txt
_cod_data_source_block           mo_dm12197_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Tetragonal' was changed to
'tetragonal' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        14649.4(19)
_cod_original_sg_symbol_H-M      I4(1)/a
_cod_database_code               7238767
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y+1/4, x+3/4, z+3/4'
'y+1/4, -x+1/4, z+1/4'
'-x, -y+1/2, z'
'x+1/2, y+1/2, z+1/2'
'-y+3/4, x+5/4, z+5/4'
'y+3/4, -x+3/4, z+3/4'
'-x+1/2, -y+1, z+1/2'
'-x, -y, -z'
'y-1/4, -x-3/4, -z-3/4'
'-y-1/4, x-1/4, -z-1/4'
'x, y-1/2, -z'
'-x+1/2, -y+1/2, -z+1/2'
'y+1/4, -x-1/4, -z-1/4'
'-y+1/4, x+1/4, -z+1/4'
'x+1/2, y, -z+1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.064075(15) 0.688351(15) 0.347955(9) 0.02981(9) Uani 1 1 d . . .
Au2 Au 0.072554(17) 0.301766(18) 0.152531(9) 0.03663(10) Uani 1 1 d . . .
P1 P 0.13869(11) 0.61723(12) 0.36694(7) 0.0337(5) Uani 1 1 d . . .
P2 P 0.15461(12) 0.36516(11) 0.13523(7) 0.0361(5) Uani 1 1 d . . .
O1 O 0.0000 0.7500 0.3216(2) 0.0331(18) Uani 1 2 d S . .
O2 O 0.0000 0.2500 0.1782(3) 0.076(5) Uani 1 2 d S . .
C37 C 0.01231(19) 0.7131(2) 0.21820(11) 0.0457(9) Uani 0.50 1 d P . 1
F1 F -0.0135(4) 0.6778(5) 0.1828(2) 0.078(3) Uani 0.50 1 d P A 1
F2 F -0.0187(5) 0.6849(7) 0.2530(3) 0.131(5) Uani 0.50 1 d P B 1
F3 F 0.0852(3) 0.7124(6) 0.2173(4) 0.117(4) Uani 0.50 1 d P C 1
C38 C 0.0248(2) 0.2780(2) 0.27854(15) 0.0557(11) Uani 0.50 1 d P . 1
F4 F -0.0188(6) 0.3337(5) 0.2684(4) 0.122(4) Uani 0.50 1 d P . 1
F5 F 0.0678(7) 0.2803(8) 0.3131(4) 0.194(6) Uani 0.50 1 d P D 1
F6 F 0.0458(6) 0.2334(5) 0.2462(3) 0.113(3) Uani 0.50 1 d P . 1
S1 S 0.01231(19) 0.7131(2) 0.21820(11) 0.0457(9) Uani 0.50 1 d PDU . 2
O3 O -0.0135(4) 0.6778(5) 0.1828(2) 0.078(3) Uani 0.50 1 d PDU E 2
O4 O -0.0187(5) 0.6849(7) 0.2530(3) 0.131(5) Uani 0.50 1 d PDU F 2
O5 O 0.0852(3) 0.7124(6) 0.2173(4) 0.117(4) Uani 0.50 1 d PDU G 2
S2 S 0.0248(2) 0.2780(2) 0.27854(15) 0.0557(11) Uani 0.50 1 d PDU . 2
O6 O -0.0188(6) 0.3337(5) 0.2684(4) 0.122(4) Uani 0.50 1 d PDU . 2
O7 O 0.0678(7) 0.2803(8) 0.3131(4) 0.194(6) Uani 0.50 1 d PDU H 2
O8 O 0.0458(6) 0.2334(5) 0.2462(3) 0.113(3) Uani 0.50 1 d PDU . 2
C1 C 0.1262(4) 0.5772(4) 0.4124(2) 0.0330(17) Uani 1 1 d . . .
C2 C 0.0967(4) 0.6101(4) 0.4421(3) 0.0363(18) Uani 1 1 d . . .
H2A H 0.0833 0.6541 0.4387 0.044 Uiso 1 1 calc R . .
C3 C 0.0866(5) 0.5788(6) 0.4772(3) 0.047(2) Uani 1 1 d . . .
H3A H 0.0657 0.6013 0.4975 0.056 Uiso 1 1 calc R . .
C4 C 0.1067(5) 0.5157(6) 0.4822(3) 0.047(2) Uani 1 1 d . . .
H4A H 0.1000 0.4948 0.5061 0.057 Uiso 1 1 calc R . .
C5 C 0.1367(5) 0.4820(5) 0.4527(3) 0.045(2) Uani 1 1 d . . .
H5A H 0.1503 0.4382 0.4565 0.054 Uiso 1 1 calc R . .
C6 C 0.1470(4) 0.5121(5) 0.4175(3) 0.040(2) Uani 1 1 d . . .
H6A H 0.1678 0.4892 0.3972 0.048 Uiso 1 1 calc R . .
C7 C 0.1396(6) 0.5526(5) 0.3312(3) 0.043(2) Uani 1 1 d . . .
C8 C 0.0829(6) 0.5173(6) 0.3252(4) 0.058(3) Uani 1 1 d . . .
H8A H 0.0454 0.5257 0.3404 0.069 Uiso 1 1 calc R . .
C9 C 0.0807(9) 0.4694(6) 0.2969(4) 0.074(4) Uani 1 1 d . . .
H9A H 0.0424 0.4440 0.2932 0.089 Uiso 1 1 calc R . .
C10 C 0.1356(11) 0.4594(7) 0.2740(4) 0.088(6) Uani 1 1 d . . .
H10A H 0.1341 0.4281 0.2540 0.106 Uiso 1 1 calc R . .
C11 C 0.1920(9) 0.4944(7) 0.2801(4) 0.075(5) Uani 1 1 d . . .
H11A H 0.2292 0.4865 0.2646 0.090 Uiso 1 1 calc R . .
C12 C 0.1947(7) 0.5410(5) 0.3087(3) 0.056(3) Uani 1 1 d . . .
H12A H 0.2338 0.5649 0.3130 0.067 Uiso 1 1 calc R . .
C13 C 0.2198(5) 0.6522(5) 0.3676(3) 0.040(2) Uani 1 1 d . . .
C14 C 0.2358(6) 0.6974(5) 0.3387(3) 0.047(2) Uani 1 1 d . . .
H14A H 0.2042 0.7105 0.3204 0.056 Uiso 1 1 calc R . .
C15 C 0.2988(6) 0.7226(5) 0.3376(4) 0.055(3) Uani 1 1 d . . .
H15A H 0.3105 0.7522 0.3178 0.066 Uiso 1 1 calc R . .
C16 C 0.3443(6) 0.7054(7) 0.3645(5) 0.078(5) Uani 1 1 d . . .
H16A H 0.3873 0.7224 0.3629 0.093 Uiso 1 1 calc R . .
C17 C 0.3277(6) 0.6635(9) 0.3938(5) 0.091(6) Uani 1 1 d . . .
H17A H 0.3591 0.6525 0.4128 0.109 Uiso 1 1 calc R . .
C18 C 0.2653(5) 0.6372(7) 0.3958(4) 0.074(5) Uani 1 1 d . . .
H18A H 0.2538 0.6091 0.4163 0.089 Uiso 1 1 calc R . .
C19 C 0.1280(4) 0.4494(4) 0.1346(3) 0.0370(19) Uani 1 1 d . . .
C20 C 0.1411(4) 0.4912(5) 0.1040(3) 0.040(2) Uani 1 1 d . . .
H20A H 0.1661 0.4761 0.0829 0.048 Uiso 1 1 calc R . .
C21 C 0.1178(5) 0.5544(5) 0.1043(3) 0.043(2) Uani 1 1 d . . .
H21A H 0.1261 0.5826 0.0833 0.051 Uiso 1 1 calc R . .
C22 C 0.0816(5) 0.5765(5) 0.1358(3) 0.047(2) Uani 1 1 d . . .
H22A H 0.0661 0.6203 0.1363 0.056 Uiso 1 1 calc R . .
C23 C 0.0685(5) 0.5360(5) 0.1659(3) 0.047(2) Uani 1 1 d . . .
H23A H 0.0436 0.5514 0.1870 0.056 Uiso 1 1 calc R . .
C24 C 0.0915(5) 0.4722(5) 0.1656(3) 0.048(2) Uani 1 1 d . . .
H24A H 0.0825 0.4440 0.1866 0.057 Uiso 1 1 calc R . .
C25 C 0.1950(6) 0.3504(4) 0.0900(3) 0.048(3) Uani 1 1 d . . .
C26 C 0.1606(7) 0.3241(5) 0.0595(3) 0.058(3) Uani 1 1 d . . .
H26A H 0.1157 0.3132 0.0619 0.070 Uiso 1 1 calc R . .
C27 C 0.1935(9) 0.3142(5) 0.0254(3) 0.077(5) Uani 1 1 d . . .
H27A H 0.1705 0.2961 0.0043 0.093 Uiso 1 1 calc R . .
C28 C 0.2586(10) 0.3295(6) 0.0210(5) 0.094(7) Uani 1 1 d . . .
H28A H 0.2801 0.3222 -0.0027 0.113 Uiso 1 1 calc R . .
C29 C 0.2916(9) 0.3552(7) 0.0513(5) 0.088(6) Uani 1 1 d . . .
H29A H 0.3363 0.3665 0.0484 0.105 Uiso 1 1 calc R . .
C30 C 0.2612(7) 0.3654(6) 0.0861(4) 0.067(4) Uani 1 1 d . . .
H30A H 0.2851 0.3824 0.1072 0.080 Uiso 1 1 calc R . .
C31 C 0.2178(4) 0.3572(4) 0.1712(3) 0.040(2) Uani 1 1 d . . .
C32 C 0.2448(5) 0.4103(5) 0.1901(3) 0.042(2) Uani 1 1 d . . .
H32A H 0.2304 0.4534 0.1846 0.051 Uiso 1 1 calc R . .
C33 C 0.2931(5) 0.3992(6) 0.2172(3) 0.049(2) Uani 1 1 d . . .
H33A H 0.3126 0.4352 0.2299 0.059 Uiso 1 1 calc R . .
C34 C 0.3133(5) 0.3364(6) 0.2258(4) 0.055(3) Uani 1 1 d . . .
H34A H 0.3448 0.3293 0.2453 0.066 Uiso 1 1 calc R . .
C35 C 0.2875(6) 0.2842(6) 0.2061(5) 0.066(4) Uani 1 1 d . . .
H35A H 0.3034 0.2413 0.2107 0.079 Uiso 1 1 calc R . .
C36 C 0.2390(5) 0.2944(5) 0.1798(4) 0.058(3) Uani 1 1 d . . .
H36A H 0.2195 0.2581 0.1673 0.070 Uiso 1 1 calc R . .
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'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 '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 170.6(2) . .
O1 Au1 Au1 76.04(18) . 14_466
P1 Au1 Au1 111.66(6) . 14_466
O1 Au1 Au1 76.04(18) . 11_666
P1 Au1 Au1 111.35(7) . 11_666
Au1 Au1 Au1 69.509(11) 14_466 11_666
O2 Au2 P2 169.5(3) . .
O2 Au2 Au2 75.8(2) . 15
P2 Au2 Au2 111.13(7) . 15
O2 Au2 Au2 75.8(2) . 10_566
P2 Au2 Au2 113.71(6) . 10_566
Au2 Au2 Au2 69.079(11) 15 10_566
C1 P1 C13 107.4(4) . .
C1 P1 C7 105.9(4) . .
C13 P1 C7 106.8(5) . .
C1 P1 Au1 117.7(3) . .
C13 P1 Au1 112.2(3) . .
C7 P1 Au1 106.3(3) . .
C19 P2 C25 106.6(4) . .
C19 P2 C31 108.0(4) . .
C25 P2 C31 105.3(5) . .
C19 P2 Au2 109.6(3) . .
C25 P2 Au2 119.3(4) . .
C31 P2 Au2 107.5(3) . .
Au1 O1 Au1 126.3(4) 4_565 .
Au2 O2 Au2 127.7(6) 4 .
F2 C37 F3 116.2(7) . .
F2 C37 F1 109.2(6) . .
F3 C37 F1 108.9(6) . .
F2 C37 C37 103.5(7) . 4_565
F3 C37 C37 109.0(6) . 4_565
F1 C37 C37 109.9(4) . 4_565
F4 C38 F5 121.4(7) . .
F4 C38 F6 116.9(7) . .
F5 C38 F6 117.0(7) . .
F4 C38 C38 100.1(7) . 4
F5 C38 C38 114.4(8) . 4
F6 C38 C38 74.8(6) . 4
F4 C38 F6 58.9(6) . 4
F5 C38 F6 163.2(10) . 4
F6 C38 F6 71.9(8) . 4
C38 C38 F6 52.2(4) 4 4
C38 F4 F6 71.4(6) . 4
C38 F6 F4 93.2(7) . 4
C38 F6 C38 53.0(5) . 4
F4 F6 C38 49.7(5) 4 4
C2 C1 C6 120.1(8) . .
C2 C1 P1 120.1(7) . .
C6 C1 P1 119.8(7) . .
C1 C2 C3 120.0(9) . .
C1 C2 H2A 120.0 . .
C3 C2 H2A 120.0 . .
C4 C3 C2 120.1(9) . .
C4 C3 H3A 120.0 . .
C2 C3 H3A 120.0 . .
C3 C4 C5 120.6(9) . .
C3 C4 H4A 119.7 . .
C5 C4 H4A 119.7 . .
C4 C5 C6 120.3(9) . .
C4 C5 H5A 119.8 . .
C6 C5 H5A 119.8 . .
C5 C6 C1 118.8(9) . .
C5 C6 H6A 120.6 . .
C1 C6 H6A 120.6 . .
C8 C7 C12 120.3(10) . .
C8 C7 P1 118.5(8) . .
C12 C7 P1 121.2(9) . .
C7 C8 C9 120.2(13) . .
C7 C8 H8A 119.9 . .
C9 C8 H8A 119.9 . .
C8 C9 C10 118.9(15) . .
C8 C9 H9A 120.6 . .
C10 C9 H9A 120.6 . .
C11 C10 C9 120.8(13) . .
C11 C10 H10A 119.6 . .
C9 C10 H10A 119.6 . .
C10 C11 C12 120.4(14) . .
C10 C11 H11A 119.8 . .
C12 C11 H11A 119.8 . .
C11 C12 C7 119.4(14) . .
C11 C12 H12A 120.3 . .
C7 C12 H12A 120.3 . .
C18 C13 C14 119.7(10) . .
C18 C13 P1 122.6(8) . .
C14 C13 P1 117.7(8) . .
C15 C14 C13 118.8(11) . .
C15 C14 H14A 120.6 . .
C13 C14 H14A 120.6 . .
C16 C15 C14 121.0(10) . .
C16 C15 H15A 119.5 . .
C14 C15 H15A 119.5 . .
C15 C16 C17 120.2(11) . .
C15 C16 H16A 119.9 . .
C17 C16 H16A 119.9 . .
C16 C17 C18 120.3(12) . .
C16 C17 H17A 119.9 . .
C18 C17 H17A 119.9 . .
C17 C18 C13 119.9(11) . .
C17 C18 H18A 120.1 . .
C13 C18 H18A 120.1 . .
C20 C19 C24 119.6(9) . .
C20 C19 P2 122.4(7) . .
C24 C19 P2 118.0(7) . .
C21 C20 C19 120.2(9) . .
C21 C20 H20A 119.9 . .
C19 C20 H20A 119.9 . .
C20 C21 C22 119.5(9) . .
C20 C21 H21A 120.2 . .
C22 C21 H21A 120.2 . .
C23 C22 C21 120.7(10) . .
C23 C22 H22A 119.6 . .
C21 C22 H22A 119.6 . .
C22 C23 C24 120.0(9) . .
C22 C23 H23A 120.0 . .
C24 C23 H23A 120.0 . .
C23 C24 C19 120.0(10) . .
C23 C24 H24A 120.0 . .
C19 C24 H24A 120.0 . .
C26 C25 C30 120.3(10) . .
C26 C25 P2 120.2(9) . .
C30 C25 P2 119.5(10) . .
C27 C26 C25 118.0(13) . .
C27 C26 H26A 121.0 . .
C25 C26 H26A 121.0 . .
C28 C27 C26 122.3(15) . .
C28 C27 H27A 118.8 . .
C26 C27 H27A 118.8 . .
C29 C28 C27 118.8(12) . .
C29 C28 H28A 120.6 . .
C27 C28 H28A 120.6 . .
C28 C29 C30 121.3(15) . .
C28 C29 H29A 119.4 . .
C30 C29 H29A 119.4 . .
C29 C30 C25 119.3(15) . .
C29 C30 H30A 120.3 . .
C25 C30 H30A 120.3 . .
C32 C31 C36 119.9(11) . .
C32 C31 P2 122.9(8) . .
C36 C31 P2 117.2(8) . .
C31 C32 C33 118.7(10) . .
C31 C32 H32A 120.6 . .
C33 C32 H32A 120.6 . .
C34 C33 C32 120.8(10) . .
C34 C33 H33A 119.6 . .
C32 C33 H33A 119.6 . .
C35 C34 C33 120.0(12) . .
C35 C34 H34A 120.0 . .
C33 C34 H34A 120.0 . .
C36 C35 C34 119.5(11) . .
C36 C35 H35A 120.2 . .
C34 C35 H35A 120.2 . .
C35 C36 C31 120.9(11) . .
C35 C36 H36A 119.5 . .
C31 C36 H36A 119.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 O1 2.041(4) .
Au1 P1 2.213(2) .
Au1 Au1 3.1939(5) 14_466
Au1 Au1 3.1939(5) 11_666
Au2 O2 2.033(5) .
Au2 P2 2.208(2) .
Au2 Au2 3.2191(6) 15
Au2 Au2 3.2191(6) 10_566
P1 C1 1.806(9) .
P1 C13 1.808(10) .
P1 C7 1.819(10) .
P2 C19 1.810(9) .
P2 C25 1.810(10) .
P2 C31 1.812(11) .
O1 Au1 2.041(4) 4_565
O2 Au2 2.033(5) 4
C37 F2 1.487(7) .
C37 F3 1.493(7) .
C37 F1 1.526(7) .
C37 C37 1.593(9) 4_565
C38 F4 1.491(8) .
C38 F5 1.496(8) .
C38 F6 1.516(8) .
C38 C38 1.534(10) 4
C38 F6 1.852(12) 4
F4 F6 1.673(18) 4
F6 F4 1.673(18) 4
F6 C38 1.852(12) 4
C1 C2 1.376(12) .
C1 C6 1.410(13) .
C2 C3 1.400(14) .
C2 H2A 0.9500 .
C3 C4 1.367(15) .
C3 H3A 0.9500 .
C4 C5 1.382(15) .
C4 H4A 0.9500 .
C5 C6 1.394(13) .
C5 H5A 0.9500 .
C6 H6A 0.9500 .
C7 C8 1.383(17) .
C7 C12 1.397(15) .
C8 C9 1.393(17) .
C8 H8A 0.9500 .
C9 C10 1.40(2) .
C9 H9A 0.9500 .
C10 C11 1.37(2) .
C10 H10A 0.9500 .
C11 C12 1.383(18) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C18 1.389(16) .
C13 C14 1.409(13) .
C14 C15 1.389(16) .
C14 H14A 0.9500 .
C15 C16 1.37(2) .
C15 H15A 0.9500 .
C16 C17 1.381(18) .
C16 H16A 0.9500 .
C17 C18 1.386(16) .
C17 H17A 0.9500 .
C18 H18A 0.9500 .
C19 C20 1.395(13) .
C19 C24 1.398(13) .
C20 C21 1.379(14) .
C20 H20A 0.9500 .
C21 C22 1.403(14) .
C21 H21A 0.9500 .
C22 C23 1.366(15) .
C22 H22A 0.9500 .
C23 C24 1.389(14) .
C23 H23A 0.9500 .
C24 H24A 0.9500 .
C25 C26 1.386(17) .
C25 C30 1.396(17) .
C26 C27 1.384(15) .
C26 H26A 0.9500 .
C27 C28 1.38(2) .
C27 H27A 0.9500 .
C28 C29 1.36(3) .
C28 H28A 0.9500 .
C29 C30 1.382(17) .
C29 H29A 0.9500 .
C30 H30A 0.9500 .
C31 C32 1.386(13) .
C31 C36 1.389(14) .
C32 C33 1.387(15) .
C32 H32A 0.9500 .
C33 C34 1.384(16) .
C33 H33A 0.9500 .
C34 C35 1.377(17) .
C34 H34A 0.9500 .
C35 C36 1.368(18) .
C35 H35A 0.9500 .
C36 H36A 0.9500 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 Au1 P1 C1 -152.6(4) . .
Au1 Au1 P1 C1 -8.8(4) 14_466 .
Au1 Au1 P1 C1 66.8(3) 11_666 .
O1 Au1 P1 C13 82.1(6) . .
Au1 Au1 P1 C13 -134.1(4) 14_466 .
Au1 Au1 P1 C13 -58.5(4) 11_666 .
O1 Au1 P1 C7 -34.3(6) . .
Au1 Au1 P1 C7 109.6(4) 14_466 .
Au1 Au1 P1 C7 -174.9(4) 11_666 .
O2 Au2 P2 C19 -74.2(6) . .
Au2 Au2 P2 C19 55.9(4) 15 .
Au2 Au2 P2 C19 131.5(4) 10_566 .
O2 Au2 P2 C25 162.7(6) . .
Au2 Au2 P2 C25 -67.3(5) 15 .
Au2 Au2 P2 C25 8.4(5) 10_566 .
O2 Au2 P2 C31 43.0(6) . .
Au2 Au2 P2 C31 173.1(3) 15 .
Au2 Au2 P2 C31 -111.3(3) 10_566 .
P1 Au1 O1 Au1 -178.5(4) . 4_565
Au1 Au1 O1 Au1 35.97(3) 14_466 4_565
Au1 Au1 O1 Au1 -35.97(3) 11_666 4_565
P2 Au2 O2 Au2 168.4(5) . 4
Au2 Au2 O2 Au2 35.79(4) 15 4
Au2 Au2 O2 Au2 -35.79(4) 10_566 4
F5 C38 F4 F6 -160.3(11) . 4
F6 C38 F4 F6 44.5(11) . 4
C38 C38 F4 F6 -33.4(6) 4 4
F4 C38 F6 F4 -125.4(6) . 4
F5 C38 F6 F4 78.3(12) . 4
C38 C38 F6 F4 -31.6(6) 4 4
F6 C38 F6 F4 -86.2(9) 4 4
F4 C38 F6 C38 -93.7(8) . 4
F5 C38 F6 C38 110.0(10) . 4
F6 C38 F6 C38 -54.6(5) 4 4
C13 P1 C1 C2 93.4(8) . .
C7 P1 C1 C2 -152.9(8) . .
Au1 P1 C1 C2 -34.3(8) . .
C13 P1 C1 C6 -86.2(8) . .
C7 P1 C1 C6 27.5(9) . .
Au1 P1 C1 C6 146.1(6) . .
C6 C1 C2 C3 -0.9(14) . .
P1 C1 C2 C3 179.5(7) . .
C1 C2 C3 C4 0.9(15) . .
C2 C3 C4 C5 -0.5(17) . .
C3 C4 C5 C6 0.2(17) . .
C4 C5 C6 C1 -0.3(15) . .
C2 C1 C6 C5 0.6(14) . .
P1 C1 C6 C5 -179.7(7) . .
C1 P1 C7 C8 65.3(9) . .
C13 P1 C7 C8 179.5(8) . .
Au1 P1 C7 C8 -60.6(8) . .
C1 P1 C7 C12 -118.4(8) . .
C13 P1 C7 C12 -4.2(9) . .
Au1 P1 C7 C12 115.7(8) . .
C12 C7 C8 C9 0.7(16) . .
P1 C7 C8 C9 177.0(9) . .
C7 C8 C9 C10 -2.2(18) . .
C8 C9 C10 C11 2(2) . .
C9 C10 C11 C12 -1(2) . .
C10 C11 C12 C7 -0.4(19) . .
C8 C7 C12 C11 0.7(16) . .
P1 C7 C12 C11 -175.6(9) . .
C1 P1 C13 C18 11.5(12) . .
C7 P1 C13 C18 -101.7(11) . .
Au1 P1 C13 C18 142.3(10) . .
C1 P1 C13 C14 -166.9(8) . .
C7 P1 C13 C14 79.9(9) . .
Au1 P1 C13 C14 -36.2(9) . .
C18 C13 C14 C15 4.5(17) . .
P1 C13 C14 C15 -176.9(8) . .
C13 C14 C15 C16 -1.8(18) . .
C14 C15 C16 C17 -1(2) . .
C15 C16 C17 C18 1(3) . .
C16 C17 C18 C13 1(3) . .
C14 C13 C18 C17 -4(2) . .
P1 C13 C18 C17 177.2(14) . .
C25 P2 C19 C20 -2.1(10) . .
C31 P2 C19 C20 110.7(9) . .
Au2 P2 C19 C20 -132.5(7) . .
C25 P2 C19 C24 176.1(9) . .
C31 P2 C19 C24 -71.1(9) . .
Au2 P2 C19 C24 45.8(9) . .
C24 C19 C20 C21 -0.5(15) . .
P2 C19 C20 C21 177.7(8) . .
C19 C20 C21 C22 0.9(15) . .
C20 C21 C22 C23 -1.0(17) . .
C21 C22 C23 C24 0.7(18) . .
C22 C23 C24 C19 -0.2(18) . .
C20 C19 C24 C23 0.1(16) . .
P2 C19 C24 C23 -178.2(9) . .
C19 P2 C25 C26 -94.4(9) . .
C31 P2 C25 C26 150.9(8) . .
Au2 P2 C25 C26 30.2(10) . .
C19 P2 C25 C30 85.9(10) . .
C31 P2 C25 C30 -28.7(10) . .
Au2 P2 C25 C30 -149.5(8) . .
C30 C25 C26 C27 -0.8(16) . .
P2 C25 C26 C27 179.5(8) . .
C25 C26 C27 C28 0.0(18) . .
C26 C27 C28 C29 0(2) . .
C27 C28 C29 C30 1(2) . .
C28 C29 C30 C25 -2(2) . .
C26 C25 C30 C29 1.6(18) . .
P2 C25 C30 C29 -178.7(10) . .
C19 P2 C31 C32 -7.9(9) . .
C25 P2 C31 C32 105.8(8) . .
Au2 P2 C31 C32 -126.0(7) . .
C19 P2 C31 C36 171.9(8) . .
C25 P2 C31 C36 -74.5(9) . .
Au2 P2 C31 C36 53.7(9) . .
C36 C31 C32 C33 0.5(15) . .
P2 C31 C32 C33 -179.8(7) . .
C31 C32 C33 C34 -1.3(16) . .
C32 C33 C34 C35 3.2(17) . .
C33 C34 C35 C36 -4(2) . .
C34 C35 C36 C31 4(2) . .
C32 C31 C36 C35 -1.7(18) . .
P2 C31 C36 C35 178.6(10) . .
