Structure of cyanoaurate complex [Ph3PCH2CN][Au{Cl0,54(CN)0,46}CN]

The reaction of potassium dichlorodicyanoaurate with cyanomethyltriphenylphosphonium chloride has yielded the [Ph3PCH2CN][Au{Cl0,54(CN)0,46}CN] complex as a by-product. The crystal struc-ture of compound 1 has been determined by X-ray diffraction analysis (XRD). According to the XRD da-ta, cyanoaurate complex 1 [C21.46H17N2.46Cl0.54PAu, M = 556.41; orthorhombic crystal system, sp. gr. P212121; cell parameters: a = 8.420(4) Å, b = 13.638(6) Å, c = 18.053(9) Å;  = 90.00, β = 90.00,  = 90.00, V = 2073.1(16) Å3, Z = 4; calc = 1.783 g/cm3;  = 7.251 mm–1; F(000) = 1065.0; 2max: 5.686–55.93; –11 ≤ h ≤ 11, –17 ≤ k ≤ 17, –23 ≤ l ≤ 23; 32243 reflections collected; 4942 independent reflec-tions (Rint = 0.0378); GOOF = 1.055; R-factor 4.99 %] has an ionic structure and consists of the cyanome-thyltriphenylphosphonium cation with almost undistorted tetrahedral coordination of the phosphorus atom and of a nearly linear anion [Au(CN)X]–, where X = Cl or CN (disordered as 0.54Cl : 0.46CN). In the ca-tion, the CPC angles vary from 106.1(2) to 110.9(2); the P–C distances are 1.778(5)–1.813(5) Å. In the anion, the trans-angles are close to 180; the Au–Cl and Au–C distances are equal to 2.405(10) Å and 1.968(7), 2.049(19) Å, respectively. Crystal organization of compound 1 is caused by the С–H∙∙∙N≡C inte-rionic contacts (2.22–2.74 Å), as well as the С–H∙∙∙Cl–Au (2.91 Å) and C–H∙∙∙π (2.80 Å) hydrogen con-tacts. Complete tables of atomic coordinates, bond lengths, and bond angles for compound 1 have been deposited with the Cambridge Crystallographic Data Centre (CCDC 2045164) and are available, free of charge, at deposit@ccdc.cam.ac.uk and http://www.ccdc.cam.ac.uk.