Cu4C36N4I3 is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is zero-dimensional and consists of two Cu4C36N4I3 clusters. Cu(1) is bonded to one N(1) and three equivalent I(1) atoms to form a mixture of distorted edge and corner-sharing CuI3N tetrahedra. The Cu(1)-N(1) bond length is 2.09 Å. All Cu(1)-I(1) bond lengths are 2.66 Å. There are two inequivalent C sites. In the first C site, C(2) is bonded in a 3-coordinate geometry to two equivalent C(1) and one N(1) atom. Both C(2)-C(1) bond lengths are 0.86 Å. The C(2)-N(1) bond length is 1.44 Å. In the second C site, C(1) is bonded in a 3-coordinate geometry to one C(1), one C(2), and one N(1) atom. The C(1)-C(1) bond length is 1.10 Å. The C(1)-N(1) bond length is 1.47 Å. N(1) is bonded in a 10-coordinate geometry to one Cu(1), three equivalent C(2), and six equivalent C(1) atoms. I(1) is bonded in a 4-coordinate geometry to four equivalent Cu(1) atoms. Linkers: 8 [C]12[C]3[C]4[C]5[C]6[C]7[C]8[C]9[C]%10[C]([C]%11[C]1[C]4N([C]%119)[C]58)[C]2N([C]36)[C]%107. Metal clusters: 1 I[Cu@]12[Cu]3[Cu]4[Cu]1[Cu]1(I)(I)[Cu]4[Cu@]3(I)[Cu]21(I)I ,1 I[Cu@]12[Cu]3[Cu]4[Cu]5[Cu@](I)([Cu]1[Cu]35(I)(I)I)[Cu@@]42I. The MOF has largest included sphere 4.39 A, density 2.77 g/cm3, surface area 1776.51 m2/g, accessible volume 0.15 cm3/g