The crystal and molecular structure of the orthorhombic form of thiocyanatrotris(triphenylphosphine)gold(I) monohydrate, [(Ph3P)3Au(SCN)]·H2O

The crystal and molecular structure of the orthorhombic form of thiocyanatotris(triphenylphosphine)gold(I) monohydrate, [(Ph3P)3Au(SCN)]·H2O, has been determined. The gold is four-coordinate with an extremely long AuS bond distance of 2.928(17) Å. The coordination number of the gold atom and the average AuP distance were compared with other complexes of gold, [(R3P)nAuX], where R3P is a monodentate tertiary phosphine and X includes Cl, Br, I, SCN, CN, Me, and SnCl3. The average AuP distance depends more strongly on coordination number than on X, R, or net charge. Crystallographic data are as follows: P212121 with a = 13.95(5) Å, b = 30.44(10) Å, c = 11.09(4) Å, V = 4709 Å 3, Z = 4, d c = 1.495 g cm−3. The structure was refined by least squares methods t a conventional R factor of 8.5%, using 2030 unique Weissenberg data.