A reexamination of the structure of "Honeycomb cadmium cyanide"

The low-temperature crystal structure of Cd(CN), 2/3H(2)O .t-BuOH (230 K) i s reported, Pbcm, a = 8,694(1), b = 16,908(4), c = 21.157(3) Angstrom. Alth ough the cell has approximately twice the volume of the previously reported room temperature cell the 3D cadmium-cyanide framework has essentially the same connectivity. The hydrogen bonded t-BuOH/H2O system is much better de fined at low temperature and this new insight together with solid-state NMR data afford an improved model of the room temperature structure, which is now reported in the space group Cmmm. (C) 2001 Academic Press.