NiC14H14(NO3)2(C5H3)2(C3H2)2 is Indium-derived structured and crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of twelve 1,3,5-triisopropenyl benzene molecules; eighteen 2,3-dimethyl-1,3-butadiene molecules; and eighteen NiC14H14(NO3)2 clusters. In each NiC14H14(NO3)2 cluster, Ni(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms. Both Ni(1)-N(1) bond lengths are 2.08 Å. Both Ni(1)-O(1) bond lengths are 2.03 Å. Both Ni(1)-O(2) bond lengths are 2.09 Å. There are seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(3) atom. The C(1)-C(2) bond length is 1.51 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(3) bond length is 1.24 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(10), and one C(5) atom. The C(2)-C(10) bond length is 1.40 Å. The C(2)-C(5) bond length is 1.38 Å. In the third C site, C(5) is bonded in a distorted single-bond geometry to one C(2) and one H(3) atom. The C(5)-H(3) bond length is 0.95 Å. In the fourth C site, C(10) is bonded in a distorted single-bond geometry to one C(2) and one H(5) atom. The C(10)-H(5) bond length is 0.95 Å. In the fifth C site, C(11) is bonded in a distorted trigonal non-coplanar geometry to one H(6), one H(7), and one O(2) atom. The C(11)-H(6) bond length is 0.99 Å. The C(11)-H(7) bond length is 0.99 Å. The C(11)-O(2) bond length is 1.41 Å. In the sixth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(9) atom. The C(13)-N(1) bond length is 1.31 Å. The C(13)-H(9) bond length is 0.95 Å. In the seventh C site, C(14) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(10) atom. The C(14)-N(1) bond length is 1.32 Å. The C(14)-H(10) bond length is 0.95 Å. N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(13), and one C(14) atom. There are seven inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the third H site, H(6) is bonded in a single-bond geometry to one C(11) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(12) is bonded in a single-bond geometry to one O(2) and one O(3) atom. The H(12)-O(2) bond length is 0.99 Å. The H(12)-O(3) bond length is 1.70 Å. There are three 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 3-coordinate geometry to one Ni(1), one C(11), and one H(12) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one C(1) and one H(12) atom. Linkers: 5 [O]C(=O)c1ccc(-c2cc(-c3ccc(C([O])=O)cc3)cc(-c3ccc(C([O])=O)cc3)c2)cc1 ,7 c1cc(-c2ccncc2)ccn1 ,2 OCCO. Metal clusters: 6 O=[C]O[Ni]O[C]=O.OCCO. The MOF has largest included sphere 4.80 A, density 1.20 g/cm3, surface area 4839.79 m2/g, accessible volume 0.27 cm3/g