Au-S Distances Research Articles

The state of Au and As in pyrite studied by X-ray absorption spectroscopy of natural minerals and synthetic phases

In many hydrothermal deposits arsenian pyrite contains economic concentrations of Au in an “invisible” form, which is structurally bound in pyrite or has grain size <0.1 μm. Here we use X-ray absorption spectroscopy (XAS) of natural minerals and synthetic phases to reveal the forms of Au occurrence in pyrite and determine the effect of physicochemical-compositional parameters on the concentration and state of “invisible” Au. A sample of natural arsenian pyrite with 300 ppm Au and 0.34 wt% As (average value) from the Samolazovskoe Au-sulfide deposit (Yakutia, Russia) was used to study the states of Au and As, and two arsenian pyrite samples from the Vorontsovka Carlin-type deposit (North Urals, Russia) were used to characterize the state of As. The synthesis experiments were performed employing the hydrothermal method at 300 °C/Psat and 450 °C/1000 bar, at contrasting redox states – in oxidized (H2S/H2SO4 redox buffer) and reduced (H2S predominates) fluids, in As-free and As-bearing systems. As a result, a series of samples of As-free and arsenian pyrites was obtained with Au concentrations from ca. 100 to 300 ppm. The concentration of “invisible” Au, which was homogeneously distributed within the samples, was independent of As concentration but decreased with increasing synthesis temperature. The concentration of Au dissolved in acidic sulfide hydrothermal fluid was not affected by the presence of As. The X-ray absorption XANES/EXAFS spectra were recorded simultaneously at Au L3-edge and As K-edge. The use of the high energy resolution fluorescence detection (HERFD-XAS) mode made possible to acquire data for the trace amounts of Au in As-rich samples. According to XANES spectroscopy Au occurs in pyrite in the 1 + oxidation state. Two forms of Au were detected in the pyrite samples: the solid solution Au and Au2S-like clusters/inclusions. In the solid solution state Au replaces Fe in the structure of pyrite and is coordinated only with sulfur atoms (NS = 6, RAu-S = 2.41 ± 0.01 Å) in all pyrite samples independently of the conditions of their formation/synthesis and As content, no As atoms were detected in the local atomic environment of Au. Thus, the Au-S distance in the 1st coordination shell increased by 0.15 Å relatively to the Fe-S distance in pure pyrite. The distant coordination shells of the solid solution Au correspond to the pyrite crystal structure. The presence of the Au2S-like clusters leads to a significant decrease of the calculated values of coordination number of Au and Au-S interatomic distance. In natural pyrite samples from the Vorontsovka deposit As1− replaces S in the anionic sites, increasing the 1st shell As-S and As-Fe distances by 0.07–0.1 Å relatively to the pure pyrite structure. A contribution of As3+ oxide was detected in pyrite from the Vorontsovka deposit. The synthetic pyrite samples contain As in the form of As1− solid solution and As3+ and As5+ oxides. Results of our study show that neither the concentration and speciation of As nor the redox state of the system affect the state of “invisible” Au in the studied pyrites.

CRYSTAL STRUCTURES OF SYNTHETIC GOLD-BEARING SULFOSALTS

Hydrothermal syntheses in sealed gold tubes produced four distinct sulfosalts of Pb-Bi-Sb-Au, three of them suitable for crystal structure analysis. They have distinct linear-coordinated Au + sites in the structure. The crystal structure of Au 2 Pb 20 (Sb,Bi) 16 S 45 is composed of two types of rods based on SnS archetype, with Pb atoms on the outer surfaces and predominantly Sb and Bi sites in the rod interior. Lead also occurs in the central portions of the larger rod. Linear-coordinated Au and an additional (Pb,Bi) site are interstitial to the rods. The crystal structure of Au 2 Pb 20 (Sb,Bi) 16 S 45 is orthorhombic, space group Cmc 2 1 , with lattice parameters a 4.0260(2), b 75.207(7), and c 27.525(1) A, and unit cell volume 8334.3 A 3 . Two structures, Au 2 Pb 12 (Bi,Sb) 18 S 40 and Au 2 Pb 22 (Bi,Sb) 18 S 50 , are homologues N = 2 and N = 4, of a structural series in which slabs of lillianite structure alternate with wavy (100) PbS layers of incrementally increasing thickness (2 and 4 atomic sheets thick, respectively). Linear-coordinated gold (Au-S distance from 2.20 to 2.46 A) occurs in the former slabs at the boundary to the latter ones. Unit-cell parameters of Au 2 Pb 12 Sb 18 S 40 are as follows: a 4.11(1), b 44.50(1), and c 20.56(1) A (film data), cell volume 3760.3 A 3 , and space group Cmc 2 1 . Those of Au 2 Pb 22 Sb 18 S 50 are a 4.0876(4), b 55.1514(48), and c 20.4219(11) A, cell volume 4604.29 A 3 , and the same space group. The increment of the b parameter reflects the change in the homologue number N.

ChemInform Abstract: Na7Au5S6 - A Novel Thioaurate(I) Based on a b.c.c. Chalcogen Packing.

Abstract Colourless transparent crystals of Na 7 Au 5 S 6 were prepared by reacting a stoichiometric mixture of Na 2 S, gold and sulphur at 1070 K. The compound is orthorhombic, oP72, space group Pbcn (number 60) with a=10.424(6) A , b=7.024(6) A , c=22.27(1) A and Z =4. The compound crystallizes with a new structure type, which was determined from single-crystal diffractometer data (Mo Kα radiation). The structure was solved by direct methods and refined to a conventional R of 0.062 ( R w =0.059) for 685 F o with F o 2 >4 σ ( F o 2 ). The outstanding feature of Na 7 Au 5 S 6 — in a partial ionic description — is the coexistence of two very different anionic species — infinite ∞ 1 (AuS) − chains and isolated (AuS 2 ) 3− dumbbells — in its structure. In both anions gold is doubly coordinated by sulphur; Au-S distances are close to 2.30 A; and S-Au-S bond angles vary from 170.3° to 180°. The Na + ions which separate the anions are in a distorted tetrahedral sulphur coordination. The crystal structure is based on a cubic body-centred packing of chalcogen atoms; the principles of this packing are discussed.

Construction of Luminescent Gold(I) Aryl Thiolates via Isonitrilegold(I) Complexes: Influence of Synthetic Methodology and the Thiolate Ligand on Structure and Properties

Gold thiolate polymers ([ArSAu]n) were prepared via two synthetic routes - the direct reaction of an aromatic thiolate (ArSH) with HAuCl4, or the reaction of an isonitrilegold(I) chloride complex with a thiolate anion. The former route, which is general to almost all thiols, yields an amorphous and non-luminescent material. The latter route, which is more limited in scope, proceeds via an isonitrilegold( I) thiolate complex and typically yields a crystalline and luminescent material. Addition of electron-donating groups to the thiol aromatic ring leads to more rapid polymer formation and loss of luminescence while addition of electron-withdrawing groups slows or stops polymer formation and leads to a red-shift of the luminescence of the final polymeric materials. Two isonitrilegold(I) thiolate complexes with varying numbers of fluorine substituents on the thiolate aromatic ring were characterized crystallographically - C8H17NCAu(p-FC6H4S) and C12H25NCAu(2,4-F2C6H3S). As the fluorination of the aromatic ring increases, no significant changes were observed in the bond lengths of the complexes; however, the intermolecular Au-S distances lengthen while the aurophilic interaction distances decrease. These results suggest clear relationships between the molecular structure and both the supramolecular structure and photophysical properties in these materials

Peculiar electronic and vibrational properties of metal–dithiolenes (Ni, Au) based on 1,2,5-thiadiazole-3,4-dithiolato

In this paper, we present a theoretical study based on DFT methods using functionals implemented in Gaussian03, to obtain geometry optimizations, harmonic frequencies, IR intensities and Raman scattering activities of the triad [Ni(tdas)2]z [z = 0 (); z = 1- (); z = 2- ()] and of [Au(tdas)2]- (3) with the aim of elucidating the nature of the bonding in these complexes and checking whether C-C stretching vibrations are suitable spectroscopic markers to assign the 'innocent-non-innocent' character of the ligand. Geometry optimization at the density functional theory level was performed, and geometrical parameters were obtained in good agreement with the experimental structural data for the Ni complexes. Following the geometrical changes upon reduction, the Ni-S, N-S and C-S distances undergo a small increase, while the C-C length does not change significantly. Thus, unlike what is generally found for non-benzenoid dithiolenes, no shift of the nu(C-C) vibration is expected on reduction as observed for 1 and 2. The vibrational spectra are very accurately reproduced by the calculations. The less satisfactory agreement obtained for the gold complex is probably due to the deviation of the structurally characterized sample from the D2h symmetry obtained in the calculations, and/or overestimation of the Au-S distances, typical of the DFT functionals used. Calculations indicated that the electroactive orbital, HOMO in and , SOMO in and LUMO in , is a highly delocalized pi-orbital with a predominant S-ligand character, and that the total spin density in is delocalized over the ligands and the nickel atom, in agreement with EPR data. From the obtained results we can assign a non-innocent character to the tdas ligand and show that the C-C stretching vibrations are not suitable spectroscopic markers to reflect this feature.

Mononuclear, Dinuclear, and Hexanuclear Gold(I) Complexes with (aza-15-crown-5)Dithiocarbamate

The reactions of sodium (aza-15-crown-5)dithiocarbamate with [AuClL] precursors lead to mono-, di-, or hexanuclear derivatives depending on L. The homoleptic hexanuclear gold(I) cluster [Au6(S2CNC10H20O4)6] is formed by displacement of the chloride and isocyanide ligands in [AuCl(CN(2,6-Me2C6H3))]. X-ray diffraction studies show a novel geometry in gold cluster chemistry where the six gold atoms display a cyclohexane-like geometry in a chair conformation with Au-Au-Au angles of 117.028(9) degrees, two short gold-gold distances of 2.9289(5) A, and bidentate bridging dithiocarbamate ligands. The molecular structure shows a crown of gold atoms surrounded by crown ethers. This derivative luminesces at 569 nm at room temperature in the solid state. A dinuclear isomer [Au2(S2CNC10H20O4)2] had been reported previously and was obtained by reaction with [AuCl(SMe2)]. The mechanism to obtain the hexanuclear derivative involves a mononuclear intermediate [Au(S2CNC10H20O4)(CNR)] for which the X-ray structure shows a short gold-gold distance of 3.565 A with the two molecules in an anti configuration. Phosphine gold(I) mononuclear derivatives [Au(S2CNC10H20O4)(PR3)] (R = Me, Ph, both characterized by X-ray diffraction) and dinuclear diphosphine derivatives [{Au(S2CNC10H20O4)}2(mu-P-P)] (P-P = dppm, bis(diphenylphosphinomethane); dppp, 1,3-bis(diphenylphosphinopropane); and dppf, 1,1'-bis(diphenylphosphinoferrocene)) are also reported. In the mononuclear complexes, the molecular structure confirms that the dithiocarbamato ligand is mainly acting as monodentate, with a second longer Au-S distance of 3.197 (PMe3), 2.944(4) (PPh3), and 2.968 A (CNR). Three phosphine complexes are emissive at 562 (PMe3), 528 (PPh3), and 605 nm (dppm), at 77 K. X-ray diffraction studies of the dppm derivative show gold-gold intramolecular contacts of 3.0972(9) A (3.2265(10) A for a second independent molecule) and basically monodentate coordination of the dithiocarbamato ligands. All the complexes extract sodium and potassium salts from aqueous solutions. The diphosphine derivatives are noticeably better extractors than the monophosphino derivatives, mainly for potassium salts.

Two thiourea-containing gold(I) complexes.

The crystal structures of two salts of bis(thiourea)gold(I) complexes, namely bis(thiourea-kappaS)gold(I) chloride, [Au(CH(4)N(2)S)(2)]Cl, (I), and bis[bis(thiourea-kappaS)gold(I)] sulfate, [Au(CH(4)N(2)S)(2)](2)SO(4), (II), have been determined. The chloride salt, (I), is isomorphous with the corresponding bromide salt, although there are differences in the bonding. The Au(I) ion is located on an inversion centre and coordinated by two symmetry-related thiourea ligands through the lone pairs on their S atoms [Au-S 2.278 (2) A and Au-S-C 105.3 (2) degrees ]. The sulfate salt, (II), crystallizes with four independent [Au(CH(4)N(2)S)(2)]+ cations per asymmetric unit, all with nearly linear S-Au-S bonding. The cations in (II) have similar conformations to that found for (I). The Au-S distances range from 2.276 (3) to 2.287 (3) A and the Au-S-C angles from 173.5 (1) to 177.7 (1) degrees. These data are relevant in interpreting different electrochemical processes where gold-thiourea species are formed.

Syntheses, Molecular Structures, and Spectroscopy of Gold(III) Dithiolate Complexes.

Two Au(III) dithiolate complexes, [Au(dbbpy)(tdt)]PF(6) and Au(eta(2)-C,N-ppy)(tdt), (dbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine; tdt = 3,4-toluenedithiolate; ppy = C-deprotonated 2-phenylpyridine), have been prepared and structurally characterized by X-ray crystallography. The complexes have low-energy absorption bands that exhibit mild solvatochromism (lambda(max) = 444 nm (epsilon, 2310 M(-)(1) cm(-)(1)) in CH(2)Cl(2) and 406 nm (epsilon, 3170 M(-)(1) cm(-)(1)) in DMSO) and are tentatively assigned to a charge-transfer-to-diimine transition. This transition occurs at higher energy than the analogous charge-transfer transition in related Pt(II) complexes (e.g., Pt(dbbpy)(tdt), lambda(max) = 563 nm (epsilon, 7200 M(-)(1) cm(-)(1)). Whereas neither Au(III) complex is emissive, their respective dichloride precursors, [Au(dbbpy)Cl(2)]PF(6) and Au(eta(2)-C,N-ppy)Cl(2), luminesce in low-temperature glass matrixes from an excited state that is tentatively assigned as intraligand pi-pi. The neutral complex, Au(eta(2)-C,N-ppy)(tdt), is more easily oxidized (E(ox) = 0.925 V vs 1.589 V (vs NHE)) and less easily reduced (E(red) = -1.339 V vs -0.255 V (vs NHE)) than the cationic complex, [Au(dbbpy)(tdt)]PF(6). Both dithiolate complexes exhibit approximately square planar coordination. Yellow crystals of [Au(dbbpy)(tdt)]PF(6) (C(25)H(30)AuF(6)N(2)PS(2)) are triclinic, space group P&onemacr; (No. 2), with a = 7.1977(2) Å, b = 11.7292(1) Å, c = 17.5820(5) Å, alpha = 104.537(2) degrees, beta = 96.592(2) degrees, gamma = 102.455(2) degrees, V = 1380.41(6) Å(3), Z = 2, and final R = 0.050 (R(w) = 0.1062) for 3446 unique reflections. Orange crystals of Au(eta(2)-C,N-ppy)(tdt) (C(18)H(14)AuNS(2)) are monoclinic, space group P2(1)/c (No. 14), with a = 8.852(1) Å, b = 11.726(2) Å, c = 15.499(5) Å, beta = 101.34(2) degrees, V = 1577.5(6) Å(3), Z = 4, and final R = 0.0438 (R(w) = 0.0759) for 3685 unique reflections. A structural trans effect in Au(eta(2)-C,N-ppy)(tdt) results in a significantly longer Au-S distance (ca. 0.1 Å) trans to the Au-C bond than that trans to the Au-N bond. In the solid state, the [Au(dbbpy)(tdt)](+) cations are arranged in stacks with alternating intermolecular Au.Au separations of 3.60 and 3.75 Å while the Au(eta(2)-C,N-ppy)(tdt) molecules form stacks with an intermolecular Au.Au separation of 3.81 Å.

Two-Coordinate Gold(I) Aliphatic Thiolate Complex: The Au-S Distance Is Smaller than the Ag-S One

Abstract We prepared the first example of two-coordinate aliphatic monothiolate gold(I) complex. Its structural parameter was compared with that of copper(I) and silver(I) derivatives. The physical properties may be used to differentiate the coordination mode of gold(I) complexes.

Chemical and Biological Studies of Dichloro(2-((dimethylamino)methyl)phenyl)gold(III)

Several new organogold(III) derivatives of the type [AuX(2)(damp)] (damp = o-C(6)H(4)CH(2)NMe(2)) have been prepared [X = CN, SCN, dtc, or X(2) = tm; dtc = R(2)NCS(2) (R = Me (dmtc) or Et (detc)); tm = SCH(CO(2))CH(2)CO(2)Na] together with [AuCl(tpca)(damp)]Cl (tpca = o-Ph(2)PC(6)H(4)CO(2)H), [Au(dtc)(damp)]Y (Y = Cl, BPh(4)) and K[Au(CN)(3)(damp)]. The (13)C NMR spectra of these and previous derivatives have been fully assigned. In [Au(dtc)(2)(damp)] and K[Au(CN)(3)(damp)], the damp ligand is coordinated only through carbon, as shown by X-ray crystallography and/or NMR. [Au(detc)(2)(damp)] has space group C2/c, with a = 29.884(4) Å, b = 13.446(2) Å, c = 12.401(2) Å, beta = 99.45(3)(o), V = 4915 Å(3), Z = 8, and R = 0.057 for 1918 reflections. The damp and one detc ligand are monodentate, the other detc is bidentate; in solution, the complex shows dynamic behavior, with the detc ligands appearing equivalent. The crystal structure of [Au(dmtc)(damp)]BPh(4) [Pna2(1), a = 26.149(5) Å, b = 11.250(2) Å, c = 11.921(2) Å, V = 3507 Å(3), Z = 4, R = 0.073, 1772 reflections] shows both ligands to be bidentate in the cation, but the two Au-S distances are nonequivalent. The crystal structure of [Au(tm)(damp)] has also been determined [P2(1)/n, a = 18.267(7) Å, b = 9.618(3) Å, c = 18.938(4) Å, beta = 113.45(3)(o), V = 3053 Å(3), Z = 8, R = 0.079, 1389 reflections]. The tm is bound through sulfur and the carboxyl group which allows five-membered ring formation. In all three structures, the trans-influence of the sigma-bonded aryl group is apparent. [AuCl(2)(damp)] has been tested in vitroagainst a range of microbial strains and several human tumor lines, where it displays differential cytotoxicity similar to that of cisplatin. Against the ZR-75-1 human tumor xenograft, both [AuCl(2)(damp)] and cisplatin showed limited activity.

Au(nBuPPh2){(Ph2PS)3C}].CH3CN: an irregular three-coordinate AuI complex

The molecule of [n-butyl(diphenyl)phosphine-P][tris(diphenylthiophosphinoyl)methanido-S,S']gold(I) consists of an n-butyldiphenylphosphine ligand coordinated to the Au I center with a normal Au-P distance [2.275 (4) A], and a tris(diphenylthiophosphinoyl)methanide ligand coordinated to the Au I center through two of the S atoms with two strikingly different Au-S distances [2.326 (4) and 2.894 (4) A]. The Au I center has T-shaped coordination geometry

Syntheses, Characterizations, Luminescence Properties, and Electronic Structures of Gold(I) Bis(phosphine)-Xanthate Complexes

Syntheses, structures and photophysical properties of some bis(phosphine) xanthate complexes, L 2 AuS 2 COR, L=Ph 3 P, CEP(tris(cyanoethyl)phosphine) are described. Extended Huckel and Fenske-Hall molecular orbital (MO) calculations indicate that finding activates the gold(I) center for interaction with nucleopHiles. Experimentally, it is observed that the compound with the smaller P-Au-P angle (Ph 3 P) also shows the shortest Au-S distance. In fact, the (CEP) 2 AuS 2 COEt complex has two nearly identical Au-S distances at 2.745(2) and 2.934(2) A, which are 0.2 A longer than the short Au-S distance, 2.530(2) A, in the (Ph 3 P) 2 AuS 2 COEt complex

Au2(C6H5CS2)(μ-dppm)2]Cl

Bis[μ-bis(diphenylphosphino)methane-1κP:2κP'](dithiobenzoato-1κS)digold(I) chloride, [Au 2 (C 6 H 5 -CS 2 )(μ-dppm),]Cl, where dppm=C 25 H 22 P 2 , was synthesized and structurally characterized. The Au...Au separation is 3.0176 (5) A. The coordination geometries of the two Au centers differ. The bonds across the Aul center are nearly linear with Au-P distances of 2.301 (2) and 2.305 (2) A. The coordination number of the Au2 center is four; the two Au-P distances are 2.317 (2) and 2.335 (2) A and the Au-S distance is 2.718 (3) A. The dithiobenzoate ligand is coordinated to only one metal center (Au2) through one of its S atoms. The two S-C distances in this ligand are equal

Metal-metal interactions in chain compounds of gold(I): syntheses and crystal structures of chlorotetrahydrothiophenegold(I), bromotetrahydrothiophenegold(I) and iodotetrahydroselenophenegold(I)

The crystal structures of the title compounds have been determined from X-ray intensity data collected at 200 K with a CAD 4 diffractometer. Crystal data at 200 K (Mo Kα, \\ ̄ gl = 0.7107 Å) are: [Au(C 4H 8S)Cl], orthorhombic, Pmc2 v , Z = 4, a = 6.540(1), b = 8.192(1), c = 12.794(3) Å and V= 685.5(2) Å 3; [Au(C 4H 8S)Br], orthorhombic, Pmc2 v , Z = 4, a =6.564(1), b = 8.328(2), c = 13.229(4) Å and V= 723.1(2) Å 3; [Au(C 4H 8Se)I], orthorhombic, Pc2 1 n, Z = 8, a = 8.286(2), b = 11.552(3), c = 16.204(6) Å and V= 1551.0(5) Å 3. Full matrix least-squares refinements using reflections obeying I > 2 σ( I) converged to R = 0.053 (652 reflections), R = 0.067 (656 reflections) and R = 0.049 (1453 reflections) for the chloro, bromo and iodo compounds, respectively. [Au(C 4H 8S)Cl] and [Au(C 4H 8S)Br] are isostructural and comprise linear, neutral complexes, [Au(C 4H 8S)X], which are stacked in a staggered conformation forming infinite arrays of gold atoms running along a with gold-gold distances of 3.324(1) and 3.353(1) Å and Au-Au-Au angles of 159.30(6)° and 156.29(8)° for the chloro and bromo complexes, respectively. The Au-S distances are in the range 2.26-2.28 Å for both compounds, indicating that the difference in trans-influence of Cl and Br on the Au-S distance is negligible. [Au(C 4H 8Se)I] is composed of linear complexes, [Au(C 4H 8Se) 2] + and [AuI 2] −, which alternate in infinite zigzag chains running along b, with Au-Au distances of 2.987(2) and 3.001(2) Å and with Au-Au-Au angles of 160.89(4)° and 156.35(4)°. The Au-I and Au-Se distances are in the ranges 2.569(2)–2.571(2) and 2.430(3)–2.436(3) Å, respectively. Since there are no ligand bridges between the gold atoms in any of these compounds, the fairly short gold-gold distances indicate metal-metal bonding. A survey of short Au-Au interactions, not supported by ligand bridges, shows a wide range of distances, 2.97 to 3.78 Å, with a frequency maximum at 3.2–3.4 Å.

Na 7Au 5S 6 — A novel thioaurate(I) based on a b.c.c. chalcogen packing

Colourless transparent crystals of Na 7Au 5S 6 were prepared by reacting a stoichiometric mixture of Na 2S, gold and sulphur at 1070 K. The compound is orthorhombic, oP72, space group Pbcn (number 60) with a=10.424(6) A ̊ , b=7.024(6) A ̊ , c=22.27(1) A ̊ and Z=4. The compound crystallizes with a new structure type, which was determined from single-crystal diffractometer data (Mo Kα radiation). The structure was solved by direct methods and refined to a conventional R of 0.062 ( R w =0.059) for 685 F o with F o 2>4 σ( F o 2). The outstanding feature of Na 7Au 5S 6 — in a partial ionic description — is the coexistence of two very different anionic species — infinite ∞ 1(AuS) − chains and isolated (AuS 2) 3− dumbbells — in its structure. In both anions gold is doubly coordinated by sulphur; Au-S distances are close to 2.30 Å; and S-Au-S bond angles vary from 170.3° to 180°. The Na + ions which separate the anions are in a distorted tetrahedral sulphur coordination. The crystal structure is based on a cubic body-centred packing of chalcogen atoms; the principles of this packing are discussed.

Structure of (2-benzoxazolethiolato)(triphenylphosphine)gold(I).

[Au(C7H4NOS)(C18H15P)], Mr = 609.7, monoclinic, P2(1)/n, a = 12.709 (3), b = 12.871 (4), c = 13.462 (6) A, beta = 94.64 (3) degrees, V = 2195 (2) A3, Z = 4, Dx = 1.84 g cm-3, lambda(Mo K alpha) = 0.71073 A, mu = 68.7 cm-1, F(000) = 1176, T = 296 K, final R = 0.033 for 2823 unique observed reflections. The 2-benzoxazolethiolate ligand (Sboz), which contains three potential coordination sites (N, O and S), forms a linear complex with a P-Au-S angle of 176.43 (8). The Au-P and Au-S distances are 2.258 (2) and 2.299 (2) A, respectively. This angle and these bond distances are similar to those of other phosphorous-gold-sulfur complexes such as the antiarthritic drug auranofin.