NiC10H12(N3O)2(CH)2 crystallizes in the orthorhombic Fdd2 space group. The structure consists of sixteen 02329_fluka molecules inside a NiC10H12(N3O)2 framework. In the NiC10H12(N3O)2 framework, Ni(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(3), and two equivalent O(1) atoms. Both Ni(1)-N(1) bond lengths are 2.07 Å. Both Ni(1)-N(3) bond lengths are 2.16 Å. Both Ni(1)-O(1) bond lengths are 2.02 Å. There are five inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(2), and one O(1) atom. The C(1)-C(2) bond length is 1.47 Å. The C(1)-N(2) bond length is 1.33 Å. The C(1)-O(1) bond length is 1.23 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(6) atom. The C(2)-C(3) bond length is 1.38 Å. The C(2)-C(6) bond length is 1.40 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(1) atom. The C(3)-N(1) bond length is 1.35 Å. The C(3)-H(1) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(2) atom. The C(4)-N(1) bond length is 1.34 Å. The C(4)-H(2) bond length is 0.93 Å. In the fifth C site, C(6) is bonded in a distorted single-bond geometry to one C(2) and one H(4) atom. The C(6)-H(4) bond length is 0.93 Å. There are three inequivalent N sites. In the first N site, N(2) is bonded in a 3-coordinate geometry to one C(1), one N(3), and one H(5) atom. The N(2)-N(3) bond length is 1.42 Å. The N(2)-H(5) bond length is 0.86 Å. In the second N site, N(3) is bonded in a water-like geometry to one Ni(1), one N(2), one H(6), and one H(7) atom. The N(3)-H(6) bond length is 0.90 Å. The N(3)-H(7) bond length is 0.90 Å. In the third N site, N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(3), and one C(4) atom. There are six 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(4) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one N(2) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one N(3) atom. O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(1) atom. Linkers: 16 NNC(=O)c1cccnc1. Metal clusters: 8 [Ni]. The MOF has largest included sphere 4.75 A, density 1.02 g/cm3, surface area 4471.03 m2/g, accessible volume 0.55 cm3/g