A DFT and crystallographic reinvestigation of the [L2RuC2B7H9] and [L3RuC2B7H9] 'hypercloso' and closo systems

► Hypercloso-[(PPh3)2RuC2B7H9] system reinvestigated. ► DFT calculation suggests isonido character. ► X-ray study confirms the calculated long Ru-B 'open-face' distance. ► DFT shows product from reaction with PMe3, closo-[(PMe3)3RuC2B7H9], is not that proposed in the literature.