CuC6N2H12I is Copper structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four CuC6N2H12I clusters. Cu(1) is bonded in a 2-coordinate geometry to one N(1), one N(2), and two equivalent I(1) atoms. The Cu(1)-N(1) bond length is 2.16 Å. The Cu(1)-N(2) bond length is 2.15 Å. Both Cu(1)-I(1) bond lengths are 2.66 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(1), and one H(2) atom. 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 N(1) and two equivalent H(3) atoms. The C(2)-N(1) bond length is 1.48 Å. Both C(2)-H(3) bond lengths are 1.10 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one N(2) and two equivalent H(4) atoms. The C(3)-N(2) bond length is 1.49 Å. Both C(3)-H(4) bond lengths are 1.10 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(5), and one H(6) atom. The C(4)-N(2) bond length is 1.48 Å. The C(4)-H(5) bond length is 1.10 Å. The C(4)-H(6) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Cu(1), one C(2), and two equivalent C(1) atoms to form corner-sharing NCuC3 tetrahedra. In the second N site, N(2) is bonded to one Cu(1), one C(3), and two equivalent C(4) atoms to form corner-sharing NCuC3 tetrahedra. There are six inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(5) 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) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(3) is bonded in a single-bond geometry to one C(2) atom. I(1) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. Linkers: 4 C1CN2CCN1CC2. Metal clusters: 2 I[Cu][Cu]I. The MOF has largest included sphere 2.64 A, density 2.37 g/cm3, surface area 2955.84 m2/g, accessible volume 0.10 cm3/g