Ni3C48N3H30O13(C3H2)3 is Indium-derived structured and crystallizes in the cubic I-43m space group. The structure is zero-dimensional and consists of twelve 2,3-dimethyl-1,3-butadiene molecules and eight Ni3C48N3H30O13 clusters. In each Ni3C48N3H30O13 cluster, Ni(1) is bonded to one N(1), one O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NiNO5 octahedra. The corner-sharing octahedral tilt angles are 60°. The Ni(1)-N(1) bond length is 2.04 Å. The Ni(1)-O(1) bond length is 1.87 Å. Both Ni(1)-O(2) bond lengths are 2.02 Å. Both Ni(1)-O(3) bond lengths are 2.01 Å. There are eleven inequivalent C sites. In the first C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(3) atom. The C(5)-C(4) bond length is 1.41 Å. The C(5)-H(3) bond length is 1.09 Å. In the second C site, C(6) is bonded in a distorted single-bond geometry to one C(7) and one H(4) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-H(4) bond length is 1.09 Å. In the third C site, C(7) is bonded in a trigonal planar geometry to one C(8) and two equivalent C(6) atoms. The C(7)-C(8) bond length is 1.50 Å. In the fourth C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. In the fifth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(7) and two equivalent O(2) atoms. Both C(8)-O(2) bond lengths are 1.27 Å. In the sixth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(10) and two equivalent O(3) atoms. The C(9)-C(10) bond length is 1.50 Å. Both C(9)-O(3) bond lengths are 1.27 Å. In the seventh C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(2) atom. The C(2)-C(3) bond length is 1.41 Å. The C(2)-H(2) bond length is 1.09 Å. In the eighth C site, C(10) is bonded in a trigonal planar geometry to one C(9) and two equivalent C(11) atoms. Both C(10)-C(11) bond lengths are 1.40 Å. In the ninth C site, C(11) is bonded in a distorted single-bond geometry to one C(10) and one H(5) atom. The C(11)-H(5) bond length is 1.09 Å. In the tenth C site, C(3) is bonded in a trigonal planar geometry to one C(4) and two equivalent C(2) atoms. The C(3)-C(4) bond length is 1.48 Å. In the eleventh C site, C(4) is bonded in a trigonal planar geometry to one C(3) and two equivalent C(5) atoms. N(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent C(1) atoms. There are five 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(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(11) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(8) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(9) atom. Linkers: 9 [O]C(=O)c1ccc(-c2ccncc2)cc1 ,6 [O]C(=O)c1ccc(-c2ccc(C([O])=O)cc2)cc1. Metal clusters: 9 [Ni] ,1 [C]1O[Ni]23O[C]O[Ni]45(O1)O[C]O[Ni](O[C]O2)(O[C]O3)(O[C]O4)O5. The MOF has largest included sphere 11.98 A, density 0.60 g/cm3, surface area 4382.79 m2/g, accessible volume 1.26 cm3/g