Undeca-carbon-yl[(4-methyl-sulfanylphen-yl)di-phenyl-phosphane]triruthenium(0): crystal structure and Hirshfeld surface analysis.

Omar Bin Shawkataly,Hafiz Malik Hussien Abdelnasir,Edward R T Tiekink,Mukesh M Jotani,Siti Syaida Sirat

doi:10.1107/s2056989018006989

Abstract

The title cluster compound, [Ru3(C19H17PS)(CO)11], comprises a triangle of Ru0 atoms, two of which are bonded to four carbonyl ligands. The third metal atom is bound to three carbonyl ligands and the phosphane-P atom of a dissymmetric phosphane ligand, PPh2(C6H4SMe-4); no Ru⋯S inter-actions are observed. The phosphane occupies an equatorial position and its proximity to an Ru-Ru edge results in the elongation of this bond with respect to the others [2.8933 (2) Å cf. 2.8575 (2) and 2.8594 (3) Å]. In the crystal, phenyl-C-H⋯O(carbon-yl) and carbonyl-O⋯O(carbon-yl) [2.817 (2) Å] inter-actions combine to form a supra-molecular chain propagating along [111]; the chains pack without directional inter-actions between them. The carbonyl-O⋯O(carbon-yl) and other weak contacts have an influence upon the Hirshfeld surfaces with O⋯H contacts making the greatest contribution, i.e. 37.4% cf. 15.8% for O⋯O and 15.6% for H⋯H contacts.

Highlights

Omar bin Shawkataly,a‡ Hafiz Malik Hussien Abdelnasir,b Siti Syaida Sirat,a Mukesh M
The title cluster compound, [Ru3(C19H17PS)(CO)11], comprises a triangle of Ru0 atoms, two of which are bonded to four carbonyl ligands
The third metal atom is bound to three carbonyl ligands and the phosphane-P atom of a dissymmetric phosphane ligand, PPh2(C6H4SMe-4); no RuÁ Á ÁS interactions are observed

Summary

Chemical context

Tertiary phosphanes (PR3) have played a major role in the formation and subsequent chemistry of metal carbonyl clusters, often relating to the promising catalytic activity of the products (Bruce et al, 2005; Shawkataly et al, 2013; Park et al, 2016). In the Cu22Se6(SePh)10[PPh2(C6H4SMe)]8 cluster, only the P atom of the PPh2C6H4SMe ligand is coordinated to the metal centre while the thiomethyl group remains uncoordinated (Fuhr et al, 2002). The thiomethyl group can further react with other metal atoms to provide opportunities in surface chemistry (Fuhr et al, 2002). The known crystal structures of triruthenium clusters with the PPh2(C6H4SMe) ligand are surprisingly few in number (Shawkataly et al, 2011a,b). The closest intramolecular RuÁ Á ÁC(carbonyl) contact of 3.233 (3) Ais formed by the C8-carbonyl ligand which exhibits the maximum deviation from linearity, i.e. 172.1 (2)

Structural commentary

Supramolecular features

Analysis of the Hirshfeld surface

Database survey

Refinement