Cu2C3N3H3ICH2 crystallizes in the tetragonal I4_1/a space group. The structure consists of sixteen 02329_fluka molecules inside a Cu2C3N3H3I framework. In the Cu2C3N3H3I framework, there are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one N(1) and three equivalent I(1) atoms. The Cu(1)-N(1) bond length is 1.99 Å. There are a spread of Cu(1)-I(1) bond distances ranging from 2.59-2.84 Å. In the second Cu site, Cu(2) is bonded in a distorted bent 150 degrees geometry to one N(2), one N(3), and two equivalent I(1) atoms. The Cu(2)-N(2) bond length is 1.88 Å. The Cu(2)-N(3) bond length is 1.89 Å. There is one shorter (3.23 Å) and one longer (3.37 Å) Cu(2)-I(1) bond length. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(2), and one N(3) atom. The C(1)-C(2) bond length is 1.51 Å. The C(1)-N(2) bond length is 1.32 Å. The C(1)-N(3) bond length is 1.33 Å. In the second C site, C(2) is bonded in a trigonal non-coplanar geometry to one C(1); one H(2); and two equivalent H(1,3) atoms. The C(2)-H(2) bond length is 0.96 Å. Both C(2)-H(1,3) bond lengths are 0.96 Å. In the third C site, C(3) is bonded in a distorted water-like geometry to one N(1) and one N(3) atom. The C(3)-N(1) bond length is 1.33 Å. The C(3)-N(3) bond length is 1.34 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(3), and one N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(1), and one N(1) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(2), one C(1), and one C(3) atom. There are two inequivalent H sites. In the first H site, H(1,3) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. I(1) is bonded in a 5-coordinate geometry to two equivalent Cu(2) and three equivalent Cu(1) atoms. Linkers: 4 [CH2]C1=N[N]C(C)=N1 ,4 [CH2]C1=NN=C(C)[N]1. Metal clusters: 2 [Cu]/N=N\[Cu]12(I)[Cu]3(I)(/N=N\[Cu])[Cu]1(I)(/N=N\[Cu])[Cu]23(I)/N=N\[Cu]. The MOF has largest included sphere 9.06 A, density 1.64 g/cm3, surface area 2620.34 m2/g, accessible volume 0.35 cm3/g