NiC18H10(NO3)2(CH)6 crystallizes in the cubic I4_132 space group. The structure consists of one hundred and forty-four 02329_fluka molecules inside a NiC18H10(NO3)2 framework. In the NiC18H10(NO3)2 framework, Ni(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent O(1), and two equivalent O(3) atoms. Both Ni(1)-N(1) bond lengths are 2.05 Å. Both Ni(1)-O(1) bond lengths are 2.04 Å. Both Ni(1)-O(3) bond lengths are 2.10 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.25 Å. The C(1)-O(2) bond length is 1.27 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. There is one shorter (1.37 Å) and one longer (1.41 Å) C(2)-C(3) bond length. In the third C site, C(3) is bonded in a single-bond geometry to two equivalent C(2) and one H(1) atom. The C(3)-H(1) bond length is 0.93 Å. In the fourth C site, C(7) is bonded in a 3-coordinate geometry to one C(7) and two equivalent C(6) atoms. The C(7)-C(7) bond length is 2.03 Å. There is one shorter (1.52 Å) and one longer (2.15 Å) C(7)-C(6) bond length. In the fifth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(3) atom. The C(8)-N(1) bond length is 1.33 Å. The C(8)-H(3) bond length is 0.93 Å. In the sixth C site, C(4) is bonded in a distorted water-like geometry to one C(5), one H(2), and one O(3) atom. The C(4)-C(5) bond length is 1.53 Å. The C(4)-H(2) bond length is 0.98 Å. The C(4)-O(3) bond length is 1.38 Å. In the seventh C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one C(6) atom. The C(5)-C(6) bond length is 1.55 Å. In the eighth C site, C(6) is bonded in a 3-coordinate geometry to one C(5) and two equivalent C(7) atoms. In the ninth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(7) atom. The C(12)-N(1) bond length is 1.30 Å. The C(12)-H(7) bond length is 0.93 Å. N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(12), and one C(8) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) 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(8) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(8) is bonded in a single-bond geometry to one O(3) atom. The H(8)-O(3) bond length is 0.82 Å. There are three 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(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ni(1), one C(4), and one H(8) atom. Linkers: 16 [O]C(=O)c1cc(C([O])=O)cc(C([O])=O)c1. Metal clusters: 24 [Ni]. The MOF has largest included sphere 12.11 A, density 0.81 g/cm3, surface area 5004.10 m2/g, accessible volume 0.68 cm3/g