NiC8H18(O2I)2 is Indium-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four NiC8H18(O2I)2 clusters. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent I(1) atoms to form distorted NiI2O4 octahedra that share corners with two equivalent C(1)H3O tetrahedra. Both Ni(1)-O(1) bond lengths are 2.21 Å. Both Ni(1)-O(2) bond lengths are 2.14 Å. Both Ni(1)-I(1) bond lengths are 2.65 Å. There are four inequivalent C sites. In the first C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one H(8), one H(9), and one O(2) atom. The C(4)-H(8) bond length is 1.10 Å. The C(4)-H(9) bond length is 1.10 Å. The C(4)-O(2) bond length is 1.45 Å. In the second C site, C(1) is bonded to one H(1), one H(2), one H(3), and one O(1) atom to form CH3O tetrahedra that share  a cornercorner with one Ni(1)I2O4 octahedra. The corner-sharing octahedral tilt angles are 56°. The C(1)-H(1) bond length is 1.10 Å. The C(1)-H(2) bond length is 1.09 Å. The C(1)-H(3) bond length is 1.10 Å. The C(1)-O(1) bond length is 1.44 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent H(6,7) and one O(2) atom. Both C(3)-H(6,7) bond lengths are 1.10 Å. The C(3)-O(2) bond length is 1.45 Å. In the fourth C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one H(4), one H(5), and one O(1) atom. The C(2)-H(4) bond length is 1.10 Å. The C(2)-H(5) bond length is 1.10 Å. The C(2)-O(1) bond length is 1.45 Å. There are eight 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(5) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(9) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the fifth H site, H(6,7) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the eighth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one C(3), and one C(4) atom. In the second O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one C(1), and one C(2) atom. I(1) is bonded in a single-bond geometry to one Ni(1) atom. Linkers: 2 COCCOCCOCCOC ,4 [CH2]COCCOCCOC. Metal clusters: 4 [Ni]. The MOF has largest included sphere 1.91 A, density 2.42 g/cm3, surface area 3314.41 m2/g, accessible volume 0.10 cm3/g