Cu2C5H3(NI)2 crystallizes in the monoclinic C2/m space group. Cu(1) is bonded in a 1-coordinate geometry to one N(1) and three equivalent I(1) atoms. The Cu(1)-N(1) bond length is 2.05 Å. There are a spread of Cu(1)-I(1) bond distances ranging from 2.60-2.69 Å. 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 1.41 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 trigonal planar geometry to one C(4) and two equivalent C(1) atoms. The C(2)-C(4) bond length is 1.41 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to two equivalent N(1) and one H(2) atom. Both C(3)-N(1) bond lengths are 1.35 Å. The C(3)-H(2) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a linear geometry to one C(2) and one C(4) atom. The C(4)-C(4) bond length is 1.22 Å. N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(3) atom. There are two 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(3) atom. I(1) is bonded in a 3-coordinate geometry to three equivalent Cu(1) atoms. Linkers: 2 C(#Cc1cncnc1)c1cn[c]nc1 ,1 C(#Cc1cncnc1)c1cncnc1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 2.23 A, density 3.54 g/cm3, surface area 2001.62 m2/g, accessible volume 0.07 cm3/g