NiC7N3H9O2(C4H3)2 is Indium-derived structured and crystallizes in the tetragonal P-4n2 space group. The structure is zero-dimensional and consists of sixteen isobutylene molecules and two NiC7N3H9O2 clusters. In each NiC7N3H9O2 cluster, Ni(1) is bonded in a square pyramidal geometry to one N(1), one N(2), one N(3), one O(1), and one O(2) atom. The Ni(1)-N(1) bond length is 1.98 Å. The Ni(1)-N(2) bond length is 2.01 Å. The Ni(1)-N(3) bond length is 1.98 Å. The Ni(1)-O(1) bond length is 1.93 Å. The Ni(1)-O(2) bond length is 2.30 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(2) atom. The C(1)-C(2) bond length is 1.52 Å. The C(1)-O(1) bond length is 1.31 Å. The C(1)-O(2) bond length is 1.21 Å. In the second C site, C(2) is bonded in a 4-coordinate geometry to one C(1), one C(3), one N(1), and one H(2) atom. The C(2)-C(3) bond length is 1.47 Å. The C(2)-N(1) bond length is 1.48 Å. The C(2)-H(2) bond length is 0.98 Å. In the third C site, C(3) is bonded in a trigonal non-coplanar geometry to one C(2) and three equivalent H(3,4,5) atoms. All C(3)-H(3,4,5) bond lengths are 0.96 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(6) atom. The C(4)-N(2) bond length is 1.32 Å. The C(4)-H(6) bond length is 0.93 Å. In the fifth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(9) atom. The C(8)-N(2) bond length is 1.33 Å. The C(8)-H(9) bond length is 0.93 Å. In the sixth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(11) atom. The C(10)-N(3) bond length is 1.32 Å. The C(10)-H(11) bond length is 0.93 Å. In the seventh C site, C(14) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(14) atom. The C(14)-N(3) bond length is 1.36 Å. The C(14)-H(14) bond length is 0.93 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one C(2), and one H(1) atom. The N(1)-H(1) bond length is 0.90 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(1), one C(4), and one C(8) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Ni(1), one C(10), and one C(14) atom. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(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(3,4,5) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(11) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(14) is bonded in a single-bond geometry to one C(14) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 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 bent 120 degrees geometry to one Ni(1) and one C(1) atom. Linkers: 9 C(=C/c1ccncc1)\c1ccncc1 ,2 C[C@H]([NH])C([O])=O ,2 C[C@@H]([NH])C([O])=O. Metal clusters: 8 [Ni]. The MOF has largest included sphere 8.11 A, density 0.90 g/cm3, surface area 4870.40 m2/g, accessible volume 0.63 cm3/g