Ni3C20H16(NO)8(CH3)6(C3H2)8(C4NH3O)6(CO2)2 is Indium-derived structured and crystallizes in the orthorhombic P2_12_12 space group. The structure is zero-dimensional and consists of twelve 02329_fluka molecules; eight 2,3-dimethyl-1,3-butadiene molecules; four formic acid molecules; four n,n',n''-trimethylbenzene-1,3,5-tricarboxamide molecules; and two Ni3C20H16(NO)8 clusters. In each Ni3C20H16(NO)8 cluster, there are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one N(4), one N(5), one N(6), one O(1), one O(2), and one O(7) atom to form corner-sharing NiN3O3 octahedra. The corner-sharing octahedral tilt angles are 59°. The Ni(1)-N(4) bond length is 2.10 Å. The Ni(1)-N(5) bond length is 2.11 Å. The Ni(1)-N(6) bond length is 2.06 Å. The Ni(1)-O(1) bond length is 2.15 Å. The Ni(1)-O(2) bond length is 2.13 Å. The Ni(1)-O(7) bond length is 2.00 Å. In the second Ni site, Ni(2) is bonded to one N(7), one N(8), two equivalent O(1), and two equivalent O(8) atoms to form corner-sharing NiN2O4 octahedra. The corner-sharing octahedral tilt angles are 59°. The Ni(2)-N(7) bond length is 2.09 Å. The Ni(2)-N(8) bond length is 2.11 Å. Both Ni(2)-O(1) bond lengths are 2.12 Å. Both Ni(2)-O(8) bond lengths are 2.05 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(2) atom. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.26 Å. In the second C site, C(18) is bonded in a distorted bent 120 degrees geometry to one O(7) and one O(8) atom. The C(18)-O(7) bond length is 1.26 Å. The C(18)-O(8) bond length is 1.27 Å. In the third C site, C(20) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(17) atom. The C(20)-N(4) bond length is 1.35 Å. The C(20)-H(17) bond length is 0.94 Å. In the fourth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(18) atom. The C(21)-N(4) bond length is 1.35 Å. The C(21)-H(18) bond length is 0.94 Å. In the fifth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(21) atom. The C(26)-N(5) bond length is 1.34 Å. The C(26)-H(21) bond length is 0.94 Å. In the sixth C site, C(27) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(22) atom. The C(27)-N(5) bond length is 1.34 Å. The C(27)-H(22) bond length is 0.94 Å. In the seventh C site, C(29) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(24) atom. The C(29)-N(6) bond length is 1.33 Å. The C(29)-H(24) bond length is 0.94 Å. In the eighth C site, C(33) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(27) atom. The C(33)-N(6) bond length is 1.34 Å. The C(33)-H(27) bond length is 0.94 Å. In the ninth C site, C(34) is bonded in a distorted bent 120 degrees geometry to one N(7) and one H(28) atom. The C(34)-N(7) bond length is 1.34 Å. The C(34)-H(28) bond length is 0.94 Å. In the tenth C site, C(37) is bonded in a distorted bent 120 degrees geometry to one N(8) and one H(31) atom. The C(37)-N(8) bond length is 1.34 Å. The C(37)-H(31) bond length is 0.94 Å. There are five inequivalent N sites. In the first N site, N(4) is bonded in a trigonal planar geometry to one Ni(1), one C(20), and one C(21) atom. In the second N site, N(5) is bonded in a trigonal planar geometry to one Ni(1), one C(26), and one C(27) atom. In the third N site, N(6) is bonded in a trigonal planar geometry to one Ni(1), one C(29), and one C(33) atom. In the fourth N site, N(7) is bonded in a trigonal planar geometry to one Ni(2) and two equivalent C(34) atoms. In the fifth N site, N(8) is bonded in a trigonal planar geometry to one Ni(2) and two equivalent C(37) atoms. There are eight inequivalent H sites. In the first H site, H(17) is bonded in a single-bond geometry to one C(20) atom. In the second H site, H(18) is bonded in a single-bond geometry to one C(21) atom. In the third H site, H(21) is bonded in a single-bond geometry to one C(26) atom. In the fourth H site, H(22) is bonded in a single-bond geometry to one C(27) atom. In the fifth H site, H(24) is bonded in a single-bond geometry to one C(29) atom. In the sixth H site, H(27) is bonded in a single-bond geometry to one C(33) atom. In the seventh H site, H(28) is bonded in a single-bond geometry to one C(34) atom. In the eighth H site, H(31) is bonded in a single-bond geometry to one C(37) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(2), 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(1) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one C(18) atom. In the fourth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(2) and one C(18) atom. Linkers: 4 C[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)C([O])=O)cc(C(=O)N[C@H](C)C([O])=O)c1)C([O])=O ,2 c1cc(-c2ccncc2)ccn1. Metal clusters: 2 [C]1O[Ni]O[C]O[Ni]2(O1)O[C]O[Ni]O[C]O2. The MOF has largest included sphere 6.88 A, density 1.08 g/cm3, surface area 4713.20 m2/g, accessible volume 0.44 cm3/g