X-Ray crystal structure of the bis(dihydrogen) complex RuH2(H2)2(PCy3)2

Abstract

RuH2(H2)2(PCy3) 2, the first reported stable bis (dihydrogen) complex crystallizes in the P1 space group; the two dihydrogen ligands lie in the equatorial plane in a mutual cis position and are located trans to the hydride ligands; the H–H distances are ca. 0.85 A, in agreement with the presence of unstretched dihydrogen ligands; these results are compared with previous theoretical calculations using density functional theory.