Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 9 (September 2002)

Acta Cryst. (2002). C58, i114-i118    [doi:10.1107/S0108270102012532]

Bis(trichlorophosphine)iminium salts, [Cl₃P=N=PCl₃]⁺, with transition metal halide counter-ions

E. Rivard, A. R. McWilliams, A. J. Lough and I. Manners

Abstract: The structures of four bis(trichlorophosphine)iminium {[Cl₃P=N=PCl₃]⁺; systematic name: trichloro[(trichlorophosphoranylidene)iminio]phosphorus(V)} salts, namely bis(trichlorophosphine)iminium hexachloroniobate, (Cl₆NP₂)[NbCl₆], (I), bis(trichlorophosphine)iminium hexachlorotantalate, (Cl₆NP₂)[TaCl₆], (II), bis(trichlorophosphine)iminium tri--chloro-bis[trichlorotitanium(IV)], (Cl₆NP₂)[Ti₂Cl₉], (III), and bis[bis(trichlorophosphine)iminium] di--chloro-bis[tetrachlorozirconium(IV)], (Cl₆NP₂)₂[Zr₂Cl₁₀], (IV), have been determined. The P=N distances in the discrete [Cl₃P=N=PCl₃]⁺ moieties in structures (I), (II) and (IV) range from 1.5460  (14) to 1.5554  (16)  Å, and the P=N=P angles range from 136.8  (3) to 143.4  (4)°. The [Cl₃P=N=PCl₃]⁺ cation in (III) is disordered and the calculated geometries for the cation are therefore less reliable. Compounds (I) and (II) are isostructural and the metal anions have slightly distorted octahedral geometries. The anion in compound (III) consists of two distorted octahedral Ti centres linked by three ₂-Cl atoms, while in compound (IV), the dianion is derived from two distorted edge-shared ZrCl₆ octahedra.

Formula: (Cl₆NP₂)[NbCl₆], (Cl₆NP₂)[TaCl₆], (Cl₆NP₂)[Ti₂Cl₉] and (Cl₆NP₂)₂[Zr₂Cl₁₀]

Online 10 August 2002

	Structure factor file (CIF format) (94.0 kbytes) Contains datablock I
	Structure factor file (CIF format) (94.4 kbytes) Contains datablock II
	Structure factor file (CIF format) (208.6 kbytes) Contains datablock III
	Structure factor file (CIF format) (85.2 kbytes) Contains datablock IV

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