NiC8NH9O4 crystallizes in the cubic Fm-3m space group. Ni(1) is bonded in a square pyramidal geometry to one N(1) and four equivalent O(1) atoms. The Ni(1)-N(1) bond length is 1.97 Å. All Ni(1)-O(1) bond lengths are 2.01 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one C(2) and two equivalent O(1) atoms. The C(1)-C(2) bond length is 1.49 Å. Both C(1)-O(1) bond lengths are 1.26 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1) and two equivalent C(3) atoms. Both C(2)-C(3) bond lengths are 1.39 Å. In the third C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(2), one H(4), and two equivalent H(1) atoms. The C(4)-N(1) bond length is 1.40 Å. The C(4)-H(2) bond length is 1.28 Å. The C(4)-H(4) bond length is 0.96 Å. Both C(4)-H(1) bond lengths are 0.96 Å. In the fourth C site, C(3) is bonded in a distorted single-bond geometry to two equivalent C(2) and one H(3) atom. The C(3)-H(3) bond length is 0.93 Å. N(1) is bonded in a distorted single-bond geometry to one Ni(1), two equivalent C(4), and one H(2) atom. The N(1)-H(2) bond length is 0.88 Å. There are four inequivalent H sites. In the first H site, H(2) is bonded in a distorted single-bond geometry to two equivalent C(4) and one N(1) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(1) is bonded in a single-bond geometry to one C(4) atom. O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(1) atom. Linkers: 8 [O]C(=O)c1cc(C([O])=O)cc(C([O])=O)c1. Metal clusters: 12 [Ni]. The MOF has largest included sphere 11.22 A, density 1.02 g/cm3, surface area 4084.82 m2/g, accessible volume 0.61 cm3/g