The stacking of the metal complex [(5,6-dimethyl-1,10-phenanthroline)(1S,2S-diaminocyclohexane)platinum(II)] 2+ (56MESS) onto the surface of two different fullerenes, a carbon nanotube, and a C 60 -buckyball was examined. The metal complex forms a supramolecular complex with multi-walled carbon nanotubes (CNTs) but not with C 60 -buckyballs. Binding of 56MESS to the CNTs is highly efficient (90 %) but can be further stabilized by the addition of the surfactant, pluronic F-127, resulting in a loading efficiency of 95 %. Molecular modelling shows that binding of 56MESS to the CNTs is supported by the large surface area of fullerene, whereas the more pronounced curvature and lack of a flat surface on the buckyballs affect the ability of 56MESS to form bonds to its surface. The loading of 56MESS onto the CNTs is via π-π stacking from the metal complex phenanthroline ligand and C-H···π bonding from the diaminocyclohexane ligand. 56MESS has 13 critical bonding points with the CNTs, eight of which are π-π stacking bonds, but the metal complex forms only seven bonds with the buckyballs. In addition, the loading of 56MESS onto the CNT results in a charge transfer of -0.111 eV. However, charge transfer is almost negligible for binding to the buckyball.The anticancer metal complex [(1,10-phenanthroline)(1S,2S-diaminocyclohexane)platinum (II)] 2+ forms a supramolecular complex with multi-walled carbon nanotubes through π-π stacking.