Cyclic nickel and free-base porphyrin dimers (Ni 2-CPD Py and H 4-CPD Py) include fullerene C 70 both in solution and in the crystals. Based on the 13CNMR spectra in solution, the included C 70 molecule inside the cavity of Ni 2-CPD Py shows both end-on and side-on orientations, whereas the C 70 molecule within H 4-CPD Py has only a side-on orientation toward the porphyrin rings. X-ray crystallography revealed both "end-on" and "side-on" orientations of C 70 in the crystal structure of the inclusion complex of Ni 2-CPD Py and C 70. This is the first example of an X-ray crystallographic determination for an end-on orientation of C 70 cocrystallized with porphyrins. On the other hand, only a side-on orientation of C 70 was observed in the crystal structure of the complex of H 4-CPD Py and C 70. Further, a zigzag array of C 70 molecules through van der Waals contacts with each other is formed along the monoclinic b axis in the latter crystal.
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