Six-Coordinate Hydrogen: Structure of [(Ph3P)2N]+[HCo6(CO)15] by Single-Crystal Neutron Diffraction Analysis


  • This research was carried out under contract with the U.S. Department of Energy (Division of Basic Energy Sciences), and supported by Grant CHE-77-00360 (to R.B.) from the National Science Foundation. We thank Mr. J. Henriques for technical assistance.


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A hydrogen atom at the center of an octahedral cage of cobalt atoms—that is a striking structural feature of the title compound which is the first of its kind to be accurately characterized by neutron diffraction in a single crystal. Only few examples of such “interstitial” hydride ligands are known for covalent complexes. The apparent radius of the H atom is 0.53Å; it can readily enter and leave its “metal cage”.