Powder X-ray diffraction (PXRD), molecular modelling, thermogravimetric ana
lysis and solid-state nuclear magnetic resonance were used to examine cryst
alline C-60. 2CHBr(3) solvate. PXRD reveals a hexagonal crystal structure w
ith an alternating layer arrangement, in which the bromoform molecules resi
de in the interstices formed by an AAA packing sequence of C-60 layers. The
presence of bromoform does not appear to hinder the motion of the fulleren
e cages, as C-13 NMR linewidths are comparable with those for pure oxygen-f
ree face-centred cubic (fcc) C-60.