CoC12H12(NO)6(C3H2)6 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is zero-dimensional and consists of twenty-four 2,3-dimethyl-1,3-butadiene molecules and eight CoC12H12(NO)6 clusters. In each CoC12H12(NO)6 cluster, Co(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Co(1)-O(1) bond lengths are 2.04 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.33 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(5)-N(1) bond length is 1.37 Å. The C(5)-H(4) bond length is 0.93 Å. N(1) is bonded in a trigonal planar geometry to one C(1), one C(5), and one O(1) atom. The N(1)-O(1) bond length is 1.35 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(5) atom. O(1) is bonded in a bent 120 degrees geometry to one Co(1) and one N(1) atom. Linkers: 24 [O]N1[CH]C=C(C2=C[CH]N([O])C=C2)C=C1. Metal clusters: 8 [O][Co]([O])([O])([O])([O])[O]. RCSR code: pcu. The MOF has largest included sphere 9.63 A, density 0.67 g/cm3, surface area 4588.00 m2/g, accessible volume 1.08 cm3/g