2-Bis(di-phenyl-phosphan-yl)hexa-ne]bis-[undeca-carbonyl- triangulo-triruthenium(3 Ru- Ru)] hexane monosolvate: crystal structure and Hirshfeld surface analysis

Acta Crystallogr E Crystallogr Commun. 2017 Oct 20;73(Pt 11):1652-1657. doi: 10.1107/S2056989017014517. eCollection 2017 Nov 1.

Abstract

In the title cluster complex hexane solvate, [Ru6(C30H32P2)(CO)22]·C6H14, two Ru3(CO)11 fragments are linked by a Ph2P(CH2)6PPh2 bridge with the P atoms equatorially disposed with respect to the Ru3 triangle in each case; the hexane solvent mol-ecule is statistically disordered. The Ru⋯Ru distances span a relatively narrow range, i.e. 2.8378 (4) to 2.8644 (4) Å. The hexyl chain within the bridge has an all-trans conformation. In the mol-ecular packing, C-H⋯O inter-actions between cluster mol-ecules, and between cluster and hexane solvent mol-ecules lead to a three-dimensional architecture. In addition, there are a large number of C≡O⋯π(arene) inter-actions in the crystal. The importance of the carbonyl groups in establishing the packing is emphasized by the contribution of 53.4% to the Hirshfeld surface by O⋯H/H⋯O contacts.

Keywords: Hirshfeld surface analysis; carbon­yl; cluster; crystal structure; ruthenium.