NiC12H8(NO2)2(C3H2)2 is Indium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four 2,3-dimethyl-1,3-butadiene molecules and two NiC12H8(NO2)2 clusters. In each NiC12H8(NO2)2 cluster, Ni(1) is bonded in a distorted octahedral geometry to one N(1), one N(2), two equivalent O(1), and two equivalent O(2) atoms. The Ni(1)-N(1) bond length is 2.04 Å. The Ni(1)-N(2) bond length is 2.06 Å. Both Ni(1)-O(1) bond lengths are 2.00 Å. Both Ni(1)-O(2) bond lengths are 2.19 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2) and two equivalent O(1) atoms. The C(1)-C(2) bond length is 1.50 Å. Both C(1)-O(1) bond lengths are 1.27 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1) and two equivalent C(3) atoms. Both C(2)-C(3) bond lengths are 1.40 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(1) atom. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(5) and two equivalent O(2) atoms. The C(4)-C(5) bond length is 1.49 Å. Both C(4)-O(2) bond lengths are 1.28 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(7) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-C(7) bond length is 1.40 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5) and one H(2) atom. The C(6)-H(2) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(5) and one H(3) atom. The C(7)-H(3) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(8)-N(1) bond length is 1.35 Å. The C(8)-H(4) bond length is 1.09 Å. In the ninth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(7) atom. The C(13)-N(2) bond length is 1.35 Å. The C(13)-H(7) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent C(8) atoms. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent C(13) atoms. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(13) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Ni(1) and one C(4) atom. Linkers: 2 c1cc(-c2ccncc2)ccn1 ,2 [O]C(=O)c1ccc(C([O])=O)cc1. Metal clusters: 1 [C]1O[Ni]2(O1)O[C]O[Ni]1(O[C]O1)O[C]O2. RCSR code: sql. The MOF has largest included sphere 2.29 A, density 1.54 g/cm3, surface area 4271.36 m2/g, accessible volume 0.25 cm3/g