Many organometallic compounds adopt cube structures, examples being (CpFe)4(CO)4, (Cp*Ru)4Cl4, (3Li)4(CH3Li)4.
Octanitrocubane was first synthesized by Philip Eaton (who was also the first to synthesize cubane in 1964) and Mao-Xi Zhang at the University of Chicago in 1999, with the structure proven by crystallographer Richard Gilardi of the United States Naval Research Laboratory.