trans-Tetrachloridobis(diphenylacetonitrile)platinum(IV)

In the title compound, [PtCl4(C14H11N)2], the Pt atom lies on an inversion center and has a distorted octahedral environment. The main geometric parameters are Pt—N = 1.960 (5) Å, and Pt—Cl = 2.3177 (12) and 2.3196 (12) Å. The N C bond is a typical triple bond [1.137 (7) Å]. The Pt—N C—C unit is almost linear, with Pt—N—C and N—C—C angles of 174.6 (4) and 177.1 (6)°, respectively.

In the title compound, [PtCl 4 (C 14 H 11 N) 2 ], the Pt atom lies on an inversion center and has a distorted octahedral environment. The main geometric parameters are Pt-N = 1.960 (5) Å , and Pt-Cl = 2.3177 (12) and 2.3196 (12) Å . The N C bond is a typical triple bond [1.137 (7) Å ]. The Pt-N C-C unit is almost linear, with Pt-N-C and N-C-C angles of 174.6 (4) and 177.1 (6) , respectively.

trans-Tetrachloridobis(diphenylacetonitrile)platinum(IV)
N. A. Bokach, V. Y. Kukushkin and M. Haukka Comment In the past decade, a Pt IV center was recognized as one of the most efficient electrophilic activators of the C≡N bond in nitriles (Pombeiro & Kukushkin, 2004;. Within the framework of our project focused on reactivity of metal-activated nitriles, a novel platinum(IV) complex, i.e. trans-[PtCl 4 (N≡CCHPh 2 ) 2 ], (I), was synthesized and characterized by single-crystal X-ray diffraction. It should be mentioned that only few structures of platinum(IV) nitrile complexes are known, e.g. (Yagyu et al., 2002;Johansson et al., 1998;Scollard et al., 2001). Probably the small number of examples is related to the high reactivity of various (nitrile)Pt IV species, where nitrile ligands are subject to facile nucleophilic attack even by weak nucleophiles or H 2 O in wet solvents.
Experimental Diphenylacetonitrile (8.5 mg, 0.044 mmol; purchased from Aldrich) was added to a suspension of trans-[PtCl 4 (EtCN) 2 ] (9.7 mg, 0.022 mmol) (Luzyanin et al., 2002) in CDCl 3 (1 ml) and the reaction mixture was left to stand for 2 d at 323 K in an NMR tube, whereupon orange-yellow crystals were formed on walls of the tube. The crystals were mechanically separated.

Refinement
The phenyl ring C3-C8 was slightly disordered. However, no disordered model was used in the final refined but the C atoms on phenyl ring C3-C8 were restrained with effective standard deviation 0.1 so that its U ij components approximate to isotropic behavior. All H atoms were positioned geometrically and constrained to ride on their parent atoms, with C-H = supplementary materials sup-2 0.95 and 1.00 Å, for methine and aryl H atoms, respectively, and U iso = 1.2U eq (parent atom). The residual electron density in the final difference map could be attributed to insufficient absorption correction as well as twinning, which could not be corrected. Fig. 1. The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.

trans-Tetrachloridobis(diphenylacetonitrile)platinum(IV)
Crystal data [PtCl 4 (C 14   Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating Rfactors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.