A Reexamination of the Structure of "Honeycomb Cadmium Cyanide"

The low-temperature crystal structure of Cd(CN)2·2/3H2O·t-BuOH (230 K) is reported, Pbcm, a=8.694(1), b=16.908(4), c= 21.157(3) ?. Although 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 defined 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.