#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:51:24 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179158 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/19/4311987.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_4311987
loop_
_publ_author_name
'Chi-Kwan Li'
'Xiao-Xia Lu'
'Keith Man-Chung Wong'
'Chui-Ling Chan'
'Nianyong Zhu'
'Vivian Wing-Wah Yam'
_publ_section_title
;
 Molecular Design of Luminescence Ion Probes for Various Cations Based on
 Weak Gold(I)...Gold(I) Interactions in Dinuclear Gold(I) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7421
_journal_page_last               7430
_journal_paper_doi               10.1021/ic049094u
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C53 H84 Au2 O10 P2 S2'
_chemical_formula_sum            'C53 H84 Au2 O10 P2 S2'
_chemical_formula_weight         1401.19
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 91.52(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.772(3)
_cell_length_b                   19.956(4)
_cell_length_c                   16.459(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     5835.3(19)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku AFC7R four-circle'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_sigmaI/netI    0.0860
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10643
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    5.201
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2808
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.784
_refine_diff_density_min         -0.703
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     512
_refine_ls_number_reflns         10253
_refine_ls_number_restraints     362
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.1406
_refine_ls_R_factor_gt           0.0396
_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)+(0.0789P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1136
_refine_ls_wR_factor_ref         0.1530
_reflns_number_gt                4476
_reflns_number_total             10253
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049094usi20040709_052741.cif
_cod_data_source_block           afc688a
_cod_database_code               4311987
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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 0.04852(2) 0.188927(19) 0.75871(2) 0.07050(15) Uani 1 1 d . . .
Au2 Au 0.17081(3) 0.31229(2) 0.75945(2) 0.07678(16) Uani 1 1 d . . .
S1 S -0.00133(19) 0.19523(15) 0.62894(16) 0.0893(9) Uani 1 1 d . . .
S2 S 0.21733(19) 0.2933(2) 0.63267(16) 0.1048(11) Uani 1 1 d . . .
P1 P 0.09324(17) 0.17732(13) 0.88828(14) 0.0683(7) Uani 1 1 d . . .
P2 P 0.13024(18) 0.33188(14) 0.88653(15) 0.0737(8) Uani 1 1 d . . .
C1 C 0.1127(6) 0.2550(5) 0.9437(5) 0.069(3) Uani 1 1 d . . .
H1A H 0.1563 0.2472 0.9791 0.083 Uiso 1 1 calc R . .
H1B H 0.0705 0.2635 0.9783 0.083 Uiso 1 1 calc R . .
C2 C 0.1816(6) 0.1298(5) 0.8964(5) 0.074(3) Uani 1 1 d . . .
H2 H 0.1980 0.1292 0.9537 0.088 Uiso 1 1 calc R . .
C3 C 0.1685(7) 0.0564(5) 0.8691(8) 0.101(4) Uani 1 1 d . . .
H3A H 0.1319 0.0357 0.9038 0.121 Uiso 1 1 calc R . .
H3B H 0.1482 0.0559 0.8138 0.121 Uiso 1 1 calc R . .
C4 C 0.2394(8) 0.0172(6) 0.8732(9) 0.118(5) Uani 1 1 d . . .
H4A H 0.2295 -0.0273 0.8516 0.142 Uiso 1 1 calc R . .
H4B H 0.2552 0.0122 0.9297 0.142 Uiso 1 1 calc R . .
C5 C 0.3040(8) 0.0486(7) 0.8265(8) 0.116(5) Uani 1 1 d . . .
H5A H 0.3497 0.0230 0.8364 0.139 Uiso 1 1 calc R . .
H5B H 0.2921 0.0474 0.7687 0.139 Uiso 1 1 calc R . .
C6 C 0.3166(7) 0.1207(8) 0.8533(8) 0.116(4) Uani 1 1 d . . .
H6A H 0.3542 0.1410 0.8195 0.139 Uiso 1 1 calc R . .
H6B H 0.3359 0.1211 0.9090 0.139 Uiso 1 1 calc R . .
C7 C 0.2440(7) 0.1626(6) 0.8477(7) 0.092(3) Uani 1 1 d . . .
H7A H 0.2539 0.2072 0.8686 0.111 Uiso 1 1 calc R . .
H7B H 0.2276 0.1667 0.7912 0.111 Uiso 1 1 calc R . .
C8 C 0.0249(6) 0.1321(5) 0.9513(5) 0.070(3) Uani 1 1 d . . .
H8 H 0.0176 0.0877 0.9271 0.084 Uiso 1 1 calc R . .
C9 C -0.0505(7) 0.1663(6) 0.9497(7) 0.091(3) Uani 1 1 d . . .
H9A H -0.0691 0.1697 0.8939 0.109 Uiso 1 1 calc R . .
H9B H -0.0449 0.2113 0.9711 0.109 Uiso 1 1 calc R . .
C10 C -0.1089(7) 0.1273(7) 1.0008(7) 0.106(4) Uani 1 1 d . . .
H10A H -0.1556 0.1522 1.0021 0.128 Uiso 1 1 calc R . .
H10B H -0.1193 0.0841 0.9758 0.128 Uiso 1 1 calc R . .
C11 C -0.0783(8) 0.1174(6) 1.0855(7) 0.100(4) Uani 1 1 d . . .
H11A H -0.1142 0.0917 1.1161 0.120 Uiso 1 1 calc R . .
H11B H -0.0725 0.1607 1.1116 0.120 Uiso 1 1 calc R . .
C12 C -0.0032(8) 0.0814(6) 1.0881(7) 0.102(4) Uani 1 1 d . . .
H12A H -0.0092 0.0368 1.0655 0.123 Uiso 1 1 calc R . .
H12B H 0.0148 0.0771 1.1439 0.123 Uiso 1 1 calc R . .
C13 C 0.0545(6) 0.1213(5) 1.0385(5) 0.081(3) Uani 1 1 d . . .
H13A H 0.0639 0.1644 1.0642 0.097 Uiso 1 1 calc R . .
H13B H 0.1017 0.0970 1.0378 0.097 Uiso 1 1 calc R . .
C14 C 0.0435(7) 0.3794(5) 0.8906(6) 0.079(3) Uani 1 1 d . . .
H14 H 0.0270 0.3783 0.9469 0.094 Uiso 1 1 calc R . .
C15 C 0.0538(9) 0.4530(7) 0.8675(9) 0.131(5) Uani 1 1 d . . .
H15A H 0.0744 0.4558 0.8135 0.157 Uiso 1 1 calc R . .
H15B H 0.0894 0.4739 0.9053 0.157 Uiso 1 1 calc R . .
C16 C -0.0236(10) 0.4922(7) 0.8687(10) 0.143(6) Uani 1 1 d . . .
H16A H -0.0413 0.4946 0.9238 0.171 Uiso 1 1 calc R . .
H16B H -0.0167 0.5375 0.8490 0.171 Uiso 1 1 calc R . .
C17 C -0.0796(10) 0.4570(8) 0.8164(8) 0.144(6) Uani 1 1 d . . .
H17A H -0.0627 0.4570 0.7608 0.172 Uiso 1 1 calc R . .
H17B H -0.1271 0.4809 0.8175 0.172 Uiso 1 1 calc R . .
C18 C -0.0915(9) 0.3869(8) 0.8429(9) 0.136(5) Uani 1 1 d . . .
H18A H -0.1295 0.3658 0.8083 0.163 Uiso 1 1 calc R . .
H18B H -0.1089 0.3864 0.8983 0.163 Uiso 1 1 calc R . .
C19 C -0.0183(7) 0.3490(6) 0.8382(8) 0.106(4) Uani 1 1 d . . .
H19A H -0.0263 0.3030 0.8551 0.127 Uiso 1 1 calc R . .
H19B H -0.0026 0.3482 0.7822 0.127 Uiso 1 1 calc R . .
C20 C 0.2015(7) 0.3758(6) 0.9494(6) 0.092(3) Uani 1 1 d . . .
H20 H 0.2083 0.4193 0.9229 0.111 Uiso 1 1 calc R . .
C21 C 0.1736(7) 0.3926(6) 1.0363(6) 0.095(4) Uani 1 1 d . . .
H21A H 0.1284 0.4198 1.0325 0.114 Uiso 1 1 calc R . .
H21B H 0.1620 0.3517 1.0651 0.114 Uiso 1 1 calc R . .
C22 C 0.2364(11) 0.4311(9) 1.0824(9) 0.165(7) Uani 1 1 d . . .
H22A H 0.2414 0.4747 1.0570 0.198 Uiso 1 1 calc R . .
H22B H 0.2202 0.4387 1.1375 0.198 Uiso 1 1 calc R . .
C23 C 0.3116(10) 0.3998(13) 1.0871(12) 0.204(11) Uani 1 1 d . . .
H23A H 0.3092 0.3568 1.1144 0.245 Uiso 1 1 calc R . .
H23B H 0.3468 0.4284 1.1169 0.245 Uiso 1 1 calc R . .
C24 C 0.3374(8) 0.3904(10) 0.9965(10) 0.170(7) Uani 1 1 d . . .
H24A H 0.3863 0.3688 0.9957 0.204 Uiso 1 1 calc R . .
H24B H 0.3410 0.4335 0.9697 0.204 Uiso 1 1 calc R . .
C25 C 0.2754(9) 0.3448(9) 0.9512(8) 0.128(5) Uani 1 1 d . . .
H25A H 0.2907 0.3365 0.8960 0.154 Uiso 1 1 calc R . .
H25B H 0.2726 0.3019 0.9787 0.154 Uiso 1 1 calc R . .
C26 C -0.0895(7) 0.1557(7) 0.6254(7) 0.096(4) Uani 1 1 d . . .
C27 C -0.1171(8) 0.1160(6) 0.6863(7) 0.097(4) Uani 1 1 d . . .
H27 H -0.0891 0.1108 0.7344 0.117 Uiso 1 1 calc R . .
C28 C -0.1845(9) 0.0843(7) 0.6772(10) 0.130(5) Uani 1 1 d . . .
C29 C -0.2272(9) 0.0965(10) 0.6103(13) 0.155(7) Uani 1 1 d . . .
C30 C -0.2010(11) 0.1332(10) 0.5506(11) 0.153(6) Uani 1 1 d . . .
H30 H -0.2287 0.1373 0.5021 0.184 Uiso 1 1 calc R . .
C31 C -0.1342(10) 0.1648(8) 0.5596(8) 0.130(5) Uani 1 1 d . . .
H31 H -0.1187 0.1936 0.5189 0.156 Uiso 1 1 calc R . .
O1 O -0.2174(7) 0.0415(6) 0.7294(8) 0.176(4) Uiso 1 1 d . . .
C32 C -0.1898(9) 0.0381(9) 0.8034(12) 0.176(7) Uiso 1 1 d D . .
H32A H -0.1849 0.0830 0.8255 0.211 Uiso 1 1 calc R . .
H32B H -0.1400 0.0182 0.8027 0.211 Uiso 1 1 calc R . .
C33 C -0.2413(10) -0.0049(8) 0.8598(11) 0.177(7) Uiso 1 1 d D . .
H33A H -0.2557 -0.0462 0.8324 0.212 Uiso 1 1 calc R . .
H33B H -0.2138 -0.0163 0.9096 0.212 Uiso 1 1 calc R . .
O5 O -0.3036(9) 0.0305(8) 0.8775(10) 0.238(7) Uiso 1 1 d D . .
C34 C -0.3654(11) -0.0057(11) 0.8982(16) 0.300(15) Uiso 1 1 d D . .
H34A H -0.3595 -0.0209 0.9540 0.360 Uiso 1 1 calc R . .
H34B H -0.3700 -0.0449 0.8635 0.360 Uiso 1 1 calc R . .
C35 C -0.4387(13) 0.0381(16) 0.8889(16) 0.45(3) Uiso 1 1 d D A .
H35A H -0.4794 0.0160 0.9164 0.536 Uiso 1 1 calc R . .
H35B H -0.4300 0.0811 0.9151 0.536 Uiso 1 1 calc R . .
O4 O -0.4595(18) 0.0484(14) 0.8099(16) 0.488(19) Uiso 1 1 d D . .
C36 C -0.482(5) 0.111(2) 0.7908(18) 0.46(5) Uiso 0.50 1 d PD A 1
H36A H -0.4510 0.1429 0.8207 0.557 Uiso 0.50 1 calc PR A 1
H36B H -0.5336 0.1170 0.8082 0.557 Uiso 0.50 1 calc PR A 1
C37 C -0.479(3) 0.1278(18) 0.6983(18) 0.26(3) Uiso 0.50 1 d PD A 1
H37A H -0.5294 0.1393 0.6786 0.315 Uiso 0.50 1 calc PR A 1
H37B H -0.4475 0.1669 0.6916 0.315 Uiso 0.50 1 calc PR A 1
O3 O -0.4534(14) 0.0792(15) 0.6536(16) 0.229(15) Uiso 0.50 1 d PD A 1
C38 C -0.4312(12) 0.081(2) 0.5802(18) 0.24(2) Uiso 0.50 1 d PD A 1
H38A H -0.4639 0.1124 0.5507 0.283 Uiso 0.50 1 calc PR A 1
H38B H -0.4398 0.0374 0.5566 0.283 Uiso 0.50 1 calc PR A 1
C39 C -0.3505(14) 0.1010(16) 0.563(2) 0.194(16) Uiso 0.50 1 d PD A 1
H39A H -0.3447 0.1019 0.5046 0.232 Uiso 0.50 1 calc PR A 1
H39B H -0.3421 0.1462 0.5830 0.232 Uiso 0.50 1 calc PR A 1
C36' C -0.487(3) -0.008(2) 0.772(2) 0.38(4) Uiso 0.50 1 d PD A 2
H36C H -0.5251 -0.0279 0.8052 0.452 Uiso 0.50 1 calc PR A 2
H36D H -0.4463 -0.0399 0.7666 0.452 Uiso 0.50 1 calc PR A 2
C37' C -0.521(2) 0.011(4) 0.685(2) 0.54(7) Uiso 0.50 1 d PD A 2
H37C H -0.5397 -0.0295 0.6581 0.643 Uiso 0.50 1 calc PR A 2
H37D H -0.5633 0.0414 0.6907 0.643 Uiso 0.50 1 calc PR A 2
O3' O -0.465(2) 0.040(2) 0.641(2) 0.31(2) Uiso 0.50 1 d PD A 2
C38' C -0.3980(13) 0.040(2) 0.684(2) 1.1(2) Uiso 0.50 1 d PD A 2
H38C H -0.3757 -0.0046 0.6827 1.376 Uiso 0.50 1 calc PR A 2
H38D H -0.4065 0.0510 0.7408 1.376 Uiso 0.50 1 calc PR A 2
C39' C -0.344(2) 0.0927(15) 0.646(2) 0.26(2) Uiso 0.50 1 d PD A 2
H39C H -0.3726 0.1255 0.6148 0.315 Uiso 0.50 1 calc PR A 2
H39D H -0.3152 0.1160 0.6883 0.315 Uiso 0.50 1 calc PR A 2
O2 O -0.2959(9) 0.0603(8) 0.5964(9) 0.206(6) Uiso 1 1 d D . .
C40 C 0.3161(7) 0.3029(7) 0.6396(7) 0.106(4) Uani 1 1 d . . .
C41 C 0.3570(9) 0.3016(11) 0.7120(9) 0.182(10) Uani 1 1 d . . .
H41 H 0.3324 0.2956 0.7607 0.219 Uiso 1 1 calc R . .
C42 C 0.4308(11) 0.3088(14) 0.7128(12) 0.211(12) Uani 1 1 d . . .
C43 C 0.4711(9) 0.3114(12) 0.6381(16) 0.189(10) Uani 1 1 d . C .
C44 C 0.4325(10) 0.3105(9) 0.5692(10) 0.153(7) Uani 1 1 d . . .
H44 H 0.4574 0.3138 0.5204 0.183 Uiso 1 1 calc R . .
C45 C 0.3538(9) 0.3047(9) 0.5684(9) 0.149(7) Uani 1 1 d . . .
H45 H 0.3272 0.3021 0.5191 0.178 Uiso 1 1 calc R . .
O6 O 0.4771(13) 0.3119(9) 0.7817(17) 0.276(10) Uiso 1 1 d . . .
C46 C 0.455(2) 0.311(2) 0.853(3) 0.48(4) Uiso 1 1 d D . .
H46A H 0.4458 0.2668 0.8746 0.573 Uiso 1 1 calc R . .
H46B H 0.4129 0.3410 0.8629 0.573 Uiso 1 1 calc R . .
C47 C 0.534(3) 0.3414(16) 0.879(4) 0.72(6) Uiso 1 1 d D . .
H47A H 0.5589 0.3583 0.8312 0.864 Uiso 1 1 calc R . .
H47B H 0.5275 0.3786 0.9161 0.864 Uiso 1 1 calc R . .
O10 O 0.5778(17) 0.2940(19) 0.9154(19) 0.50(2) Uiso 1 1 d D . .
C48 C 0.6058(16) 0.245(2) 0.868(3) 0.79(6) Uiso 1 1 d D . .
H48A H 0.5989 0.2579 0.8117 0.944 Uiso 1 1 calc R . .
H48B H 0.5777 0.2043 0.8768 0.944 Uiso 1 1 calc R . .
C49 C 0.6912(18) 0.2314(17) 0.886(2) 0.52(3) Uiso 1 1 d D . .
H49A H 0.7015 0.2352 0.9442 0.627 Uiso 1 1 calc R . .
H49B H 0.7029 0.1859 0.8701 0.627 Uiso 1 1 calc R . .
O9 O 0.7367(14) 0.2750(10) 0.8458(13) 0.310(9) Uiso 1 1 d D . .
C50 C 0.7738(13) 0.2443(12) 0.7832(15) 0.309(15) Uiso 1 1 d D C .
H50A H 0.7529 0.2000 0.7735 0.370 Uiso 1 1 calc R . .
H50B H 0.8268 0.2394 0.7978 0.370 Uiso 1 1 calc R . .
C51 C 0.7646(14) 0.2884(16) 0.7035(14) 0.352(19) Uiso 1 1 d D . .
H51A H 0.7770 0.3346 0.7162 0.422 Uiso 1 1 calc R B 1
H51B H 0.7995 0.2727 0.6633 0.422 Uiso 1 1 calc R B 1
O8 O 0.6932(12) 0.2851(12) 0.6721(14) 0.348(11) Uiso 1 1 d D C 1
C52 C 0.6751(14) 0.3286(13) 0.6110(17) 0.271(13) Uiso 1 1 d D . .
H52A H 0.7076 0.3205 0.5656 0.326 Uiso 1 1 calc R C 1
H52B H 0.6839 0.3741 0.6298 0.326 Uiso 1 1 calc R C 1
C53 C 0.5905(13) 0.3214(11) 0.5812(15) 0.232(11) Uiso 1 1 d D C .
H53A H 0.5761 0.3587 0.5463 0.278 Uiso 1 1 calc R . .
H53B H 0.5833 0.2800 0.5511 0.278 Uiso 1 1 calc R . .
O7 O 0.5478(10) 0.3212(7) 0.6510(10) 0.208(6) 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'
S S 0.1246 0.1234 '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'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 '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
_geom_angle_publ_flag
P1 Au1 S1 176.55(10) . . ?
P1 Au1 Au2 81.82(7) . . ?
S1 Au1 Au2 101.63(8) . . ?
P2 Au2 S2 177.45(11) . . ?
P2 Au2 Au1 84.60(8) . . ?
S2 Au2 Au1 97.29(10) . . ?
C26 S1 Au1 109.2(4) . . ?
C40 S2 Au2 107.7(4) . . ?
C1 P1 C2 104.6(5) . . ?
C1 P1 C8 104.6(4) . . ?
C2 P1 C8 106.3(5) . . ?
C1 P1 Au1 116.1(3) . . ?
C2 P1 Au1 113.5(3) . . ?
C8 P1 Au1 111.0(3) . . ?
C14 P2 C1 105.3(5) . . ?
C14 P2 C20 107.6(6) . . ?
C1 P2 C20 103.6(5) . . ?
C14 P2 Au2 114.6(3) . . ?
C1 P2 Au2 113.1(3) . . ?
C20 P2 Au2 111.8(4) . . ?
P1 C1 P2 119.2(5) . . ?
C7 C2 C3 111.0(9) . . ?
C7 C2 P1 111.8(7) . . ?
C3 C2 P1 110.3(8) . . ?
C4 C3 C2 111.5(11) . . ?
C3 C4 C5 114.0(10) . . ?
C6 C5 C4 110.4(10) . . ?
C5 C6 C7 112.3(11) . . ?
C2 C7 C6 110.7(10) . . ?
C9 C8 C13 111.4(8) . . ?
C9 C8 P1 111.5(7) . . ?
C13 C8 P1 112.3(7) . . ?
C8 C9 C10 111.6(10) . . ?
C11 C10 C9 109.8(10) . . ?
C10 C11 C12 112.7(10) . . ?
C11 C12 C13 109.7(10) . . ?
C8 C13 C12 110.5(9) . . ?
C19 C14 C15 109.6(10) . . ?
C19 C14 P2 112.1(8) . . ?
C15 C14 P2 112.7(9) . . ?
C14 C15 C16 111.2(12) . . ?
C17 C16 C15 109.3(12) . . ?
C16 C17 C18 112.1(12) . . ?
C17 C18 C19 109.2(14) . . ?
C14 C19 C18 112.6(11) . . ?
C25 C20 C21 112.4(11) . . ?
C25 C20 P2 114.7(9) . . ?
C21 C20 P2 112.8(8) . . ?
C22 C21 C20 108.4(11) . . ?
C23 C22 C21 117.3(15) . . ?
C22 C23 C24 106.6(16) . . ?
C23 C24 C25 107.1(13) . . ?
C20 C25 C24 112.3(13) . . ?
C31 C26 C27 116.9(13) . . ?
C31 C26 S1 118.4(11) . . ?
C27 C26 S1 124.7(9) . . ?
C28 C27 C26 121.2(12) . . ?
C29 C28 O1 112.9(16) . . ?
C29 C28 C27 118.9(14) . . ?
O1 C28 C27 128.2(14) . . ?
C30 C29 C28 120.5(16) . . ?
C30 C29 O2 118.5(18) . . ?
C28 C29 O2 120.0(18) . . ?
C29 C30 C31 120.3(17) . . ?
C26 C31 C30 121.8(15) . . ?
C32 O1 C28 117.9(15) . . ?
O1 C32 C33 111.7(16) . . ?
O5 C33 C32 109.6(12) . . ?
C33 O5 C34 116.5(15) . . ?
O5 C34 C35 110.5(14) . . ?
O4 C35 C34 112.4(16) . . ?
C36 O4 C35 115.8(19) . . ?
C36 O4 C36' 124(4) . . ?
C35 O4 C36' 113(3) . . ?
O4 C36 C37 114.0(14) . . ?
O3 C37 C36 114.4(13) . . ?
C38 O3 C37 129(2) . . ?
O3 C38 C39 119.9(17) . . ?
O2 C39 C38 115.7(16) . . ?
O4 C36' C37' 110.2(16) . . ?
O3' C37' C36' 107.9(14) . . ?
C38' O3' C37' 110.3(15) . . ?
O3' C38' C39' 108.5(16) . . ?
O2 C39' C38' 108.7(15) . . ?
C39' O2 C39 61(2) . . ?
C39' O2 C29 102(2) . . ?
C39 O2 C29 111(2) . . ?
C45 C40 C41 118.9(14) . . ?
C45 C40 S2 117.1(11) . . ?
C41 C40 S2 123.6(11) . . ?
C42 C41 C40 120.5(15) . . ?
C41 C42 O6 126(2) . . ?
C41 C42 C43 120.8(16) . . ?
O6 C42 C43 114(2) . . ?
C44 C43 O7 129(2) . . ?
C44 C43 C42 118.5(15) . . ?
O7 C43 C42 113(2) . . ?
C43 C44 C45 120.6(16) . . ?
C40 C45 C44 120.3(14) . . ?
C46 O6 C42 125(3) . . ?
O6 C46 C47 87(4) . . ?
O10 C47 C46 110.4(17) . . ?
C48 O10 C47 118(2) . . ?
O10 C48 C49 113.0(18) . . ?
O9 C49 C48 112.2(17) . . ?
C49 O9 C50 112.2(18) . . ?
O9 C50 C51 109.3(14) . . ?
O8 C51 C50 111.2(15) . . ?
C51 O8 C52 116.7(17) . . ?
O8 C52 C53 112.1(14) . . ?
O7 C53 C52 106(2) . . ?
C43 O7 C53 115.4(19) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.268(2) . ?
Au1 S1 2.294(3) . ?
Au1 Au2 3.2838(7) . ?
Au2 P2 2.265(3) . ?
Au2 S2 2.296(3) . ?
S1 C26 1.755(13) . ?
S2 C40 1.767(13) . ?
P1 C1 1.827(9) . ?
P1 C2 1.836(10) . ?
P1 C8 1.853(10) . ?
P2 C14 1.812(11) . ?
P2 C1 1.830(9) . ?
P2 C20 1.837(11) . ?
C2 C7 1.533(14) . ?
C2 C3 1.547(14) . ?
C3 C4 1.483(15) . ?
C4 C5 1.532(17) . ?
C5 C6 1.520(17) . ?
C6 C7 1.537(16) . ?
C8 C9 1.503(14) . ?
C8 C13 1.530(12) . ?
C9 C10 1.561(15) . ?
C10 C11 1.496(15) . ?
C11 C12 1.515(16) . ?
C12 C13 1.548(14) . ?
C14 C19 1.507(15) . ?
C14 C15 1.530(16) . ?
C15 C16 1.583(19) . ?
C16 C17 1.48(2) . ?
C17 C18 1.482(19) . ?
C18 C19 1.509(16) . ?
C20 C25 1.452(17) . ?
C20 C21 1.562(13) . ?
C21 C22 1.538(16) . ?
C22 C23 1.48(2) . ?
C23 C24 1.58(2) . ?
C24 C25 1.597(18) . ?
C26 C31 1.338(16) . ?
C26 C27 1.376(15) . ?
C27 C28 1.358(17) . ?
C28 C29 1.34(2) . ?
C28 O1 1.354(16) . ?
C29 C30 1.32(2) . ?
C29 O2 1.432(19) . ?
C30 C31 1.35(2) . ?
O1 C32 1.303(19) . ?
C32 C33 1.575(16) . ?
C33 O5 1.350(14) . ?
O5 C34 1.367(16) . ?
C34 C35 1.573(19) . ?
C35 O4 1.358(17) . ?
O4 C36 1.351(18) . ?
O4 C36' 1.360(18) . ?
C36 C37 1.560(19) . ?
C37 O3 1.308(16) . ?
O3 C38 1.281(16) . ?
C38 C39 1.52(2) . ?
C39 O2 1.370(16) . ?
C36' C37' 1.59(2) . ?
C37' O3' 1.384(17) . ?
O3' C38' 1.380(18) . ?
C38' C39' 1.58(2) . ?
C39' O2 1.353(17) . ?
C40 C45 1.367(18) . ?
C40 C41 1.380(17) . ?
C41 C42 1.32(2) . ?
C42 O6 1.38(3) . ?
C42 C43 1.44(3) . ?
C43 C44 1.31(2) . ?
C43 O7 1.39(2) . ?
C44 C45 1.40(2) . ?
O6 C46 1.25(6) . ?
C46 C47 1.58(2) . ?
C47 O10 1.354(18) . ?
O10 C48 1.346(18) . ?
C48 C49 1.56(2) . ?
C49 O9 1.372(18) . ?
O9 C50 1.383(16) . ?
C50 C51 1.583(19) . ?
C51 O8 1.359(16) . ?
O8 C52 1.362(16) . ?
C52 C53 1.575(18) . ?
C53 O7 1.39(3) . ?
