A spiked-butterfly cluster: crystal and electronic structures of [RhRu4H(η5-C5Me5)(CO)13BH2]

Abstract

The Crystal Structure of [RhRu₄H(η⁵-₅Me₅)(CO)₁₃BH₂]2 has been determined: monoclinic, space group P2₁/c, a= 18.118(4), b= 10.823(2), c= 17.432(3)Å, β= 118.49(3)°, Z= 4. The confirmation of this geometry corrects a proposal that we have previously made regarding this compound. Compound 2 has a pentametal skeleton which is best described as a ‘spiked-butterfly’ with the rhodium atom occupying the ‘spike’ position. Ambiguities concerning an electron-counting scheme for compound 2 have been addressed by using the Fenske–Hall molecular orbital approach to probe the electronic structure.