NiC20H30(N3O2)2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two NiC20H30(N3O2)2 clusters. Ni(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. Both Ni(1)-N(1) bond lengths are 1.93 Å. Both Ni(1)-N(2) bond lengths are 1.95 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one C(2), one N(1), one H(1), and one H(2) atom. The C(1)-C(2) bond length is 1.51 Å. The C(1)-N(1) bond length is 1.48 Å. The C(1)-H(1) bond length is 1.10 Å. The C(1)-H(2) bond length is 1.10 Å. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one N(2), one H(3), and one H(4) atom. The C(2)-N(2) bond length is 1.49 Å. The C(2)-H(3) bond length is 1.10 Å. The C(2)-H(4) bond length is 1.10 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(5), and one H(6) atom. The C(3)-N(2) bond length is 1.51 Å. The C(3)-H(5) bond length is 1.10 Å. The C(3)-H(6) 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(3), one H(7), and one H(8) atom. The C(4)-N(3) bond length is 1.48 Å. The C(4)-H(7) bond length is 1.10 Å. The C(4)-H(8) bond length is 1.10 Å. In the fifth C site, C(5) is bonded to one N(2), one N(3), one H(10), and one H(9) atom to form corner-sharing CH2N2 tetrahedra. The C(5)-N(2) bond length is 1.50 Å. The C(5)-N(3) bond length is 1.44 Å. The C(5)-H(10) bond length is 1.10 Å. The C(5)-H(9) bond length is 1.10 Å. In the sixth C site, C(6) is bonded to one N(1), one N(3), one H(11), and one H(12) atom to form corner-sharing CH2N2 tetrahedra. The C(6)-N(1) bond length is 1.49 Å. The C(6)-N(3) bond length is 1.44 Å. The C(6)-H(11) bond length is 1.10 Å. The C(6)-H(12) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(1), and one O(2) atom. The C(7)-C(8) bond length is 1.52 Å. The C(7)-O(1) bond length is 1.27 Å. The C(7)-O(2) bond length is 1.28 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(10), one C(7), and one C(9) atom. The C(8)-C(10) bond length is 1.40 Å. The C(8)-C(9) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(8) and one H(13) atom. The C(9)-H(13) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(8) and one H(14) atom. The C(10)-H(14) bond length is 1.09 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Ni(1), one C(1), one C(6), and one H(15) atom to form distorted NNiHC2 tetrahedra that share  a cornercorner with one N(1)NiHC2 tetrahedra and corners with two equivalent N(2)NiC3 tetrahedra. The N(1)-H(15) bond length is 1.07 Å. In the second N site, N(2) is bonded to one Ni(1), one C(2), one C(3), and one C(5) atom to form NNiC3 tetrahedra that share  a cornercorner with one N(2)NiC3 tetrahedra and corners with two equivalent N(1)NiHC2 tetrahedra. In the third N site, N(3) is bonded in a trigonal non-coplanar geometry to one C(4), one C(5), and one C(6) atom. 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(2) 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(3) 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(4) 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(5) 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(6) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(6) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(9) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(10) atom. In the fifteenth H site, H(15) is bonded in a distorted single-bond geometry to one N(1) and one O(2) atom. The H(15)-O(2) bond length is 1.65 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(7) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one C(7) and one H(15) atom. Linkers: 1 [O]C(=O)c1ccc(C([O])=O)cc1. Metal clusters: . The MOF has largest included sphere 2.49 A, density 1.46 g/cm3, surface area 4485.92 m2/g, accessible volume 0.15 cm3/g