NiC18H30(N3O2)2(C3H2)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one 2,3-dimethyl-1,3-butadiene molecule and one NiC18H30(N3O2)2 cluster. In the NiC18H30(N3O2)2 cluster, Ni(1) is bonded to two equivalent N(2), two equivalent N(3), and two equivalent O(1) atoms to form NiN4O2 octahedra that share corners with two equivalent C(2)H2N2 tetrahedra and corners with two equivalent C(3)H2N2 tetrahedra. Both Ni(1)-N(2) bond lengths are 2.08 Å. Both Ni(1)-N(3) bond lengths are 2.04 Å. Both Ni(1)-O(1) bond lengths are 2.17 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded to one N(1), one H(1), one H(2), and one H(3) atom to form corner-sharing CH3N tetrahedra. The C(1)-N(1) bond length is 1.46 Å. The C(1)-H(1) bond length is 1.11 Å. The C(1)-H(2) bond length is 1.09 Å. The C(1)-H(3) bond length is 1.10 Å. In the second C site, C(2) is bonded to one N(1), one N(2), one H(4), and one H(5) atom to form CH2N2 tetrahedra that share  a cornercorner with one Ni(1)N4O2 octahedra,  a cornercorner with one C(3)H2N2 tetrahedra, and  a cornercorner with one C(1)H3N tetrahedra. The corner-sharing octahedral tilt angles are 66°. The C(2)-N(1) bond length is 1.44 Å. The C(2)-N(2) bond length is 1.49 Å. The C(2)-H(4) bond length is 1.10 Å. The C(2)-H(5) bond length is 1.11 Å. In the third C site, C(3) is bonded to one N(1), one N(3), one H(6), and one H(7) atom to form CH2N2 tetrahedra that share  a cornercorner with one Ni(1)N4O2 octahedra,  a cornercorner with one C(2)H2N2 tetrahedra, and  a cornercorner with one C(1)H3N tetrahedra. The corner-sharing octahedral tilt angles are 66°. The C(3)-N(1) bond length is 1.44 Å. The C(3)-N(3) bond length is 1.48 Å. The C(3)-H(6) bond length is 1.10 Å. The C(3)-H(7) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(8), and one H(9) atom. The C(4)-N(2) bond length is 1.47 Å. The C(4)-H(8) bond length is 1.10 Å. The C(4)-H(9) bond length is 1.10 Å. In the fifth C site, C(5) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one H(10), and one H(11) atom. The C(5)-N(3) bond length is 1.47 Å. The C(5)-H(10) bond length is 1.10 Å. The C(5)-H(11) bond length is 1.10 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(1), and one O(2) atom. The C(6)-C(7) bond length is 1.51 Å. The C(6)-O(1) bond length is 1.28 Å. The C(6)-O(2) bond length is 1.27 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(12), one C(6), and one C(8) atom. The C(7)-C(12) bond length is 1.40 Å. The C(7)-C(8) bond length is 1.40 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7) and one H(12) atom. The C(8)-H(12) bond length is 1.09 Å. In the ninth C site, C(12) is bonded in a distorted single-bond geometry to one C(7) and one H(14) atom. The C(12)-H(14) bond length is 1.09 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal non-coplanar geometry to one C(1), one C(2), and one C(3) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Ni(1), one C(2), one C(4), and one H(16) atom. The N(2)-H(16) bond length is 1.03 Å. In the third N site, N(3) is bonded to one Ni(1), one C(3), one C(5), and one H(17) atom to form distorted corner-sharing NNiHC2 tetrahedra. The N(3)-H(17) bond length is 1.04 Å. There are fifteen 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(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(4) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(5) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(5) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(8) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(12) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one N(2) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one N(3) 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(6) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(6) atom. Linkers: 2 [CH2]N1[CH]NCCNCN(C)CNCCNC1 ,1 CN1CNCCNCN(C)CNCCNC1 ,1 [O]C(=O)c1ccc(-c2ccc(C([O])=O)cc2)cc1. Metal clusters: 1 [NH][Ni]([NH])([NH])([NH])(O[C]=O)O[C]=O. The MOF has largest included sphere 2.51 A, density 1.48 g/cm3, surface area 4745.70 m2/g, accessible volume 0.11 cm3/g