CuC4N2H3I crystallizes in the tetragonal P4_32_12 space group. Cu(1) is bonded to one N(1), one N(2), and two equivalent I(1) atoms to form distorted corner-sharing CuI2N2 tetrahedra. The Cu(1)-N(1) bond length is 1.99 Å. The Cu(1)-N(2) bond length is 2.01 Å. There is one shorter (2.61 Å) and one longer (2.64 Å) Cu(1)-I(1) bond length. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(4), and one H(2) atom. The C(2)-C(4) bond length is 1.40 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(2), and one H(3) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-N(2) bond length is 1.34 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(4) atom. The C(4)-C(4) bond length is 1.46 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.35 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(3), and one N(1) atom. There are three 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(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. I(1) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. Linkers: 4 c1cc(-c2ccnnc2)cnn1. Metal clusters: 8 [Cu]. The MOF has largest included sphere 2.25 A, density 3.00 g/cm3, surface area 2471.39 m2/g, accessible volume 0.07 cm3/g