Cu2C4N3H5I crystallizes in the tetragonal P4_2/n space group. 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 2.61-2.96 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 one I(1) atom. The Cu(2)-N(2) bond length is 1.91 Å. The Cu(2)-N(3) bond length is 1.91 Å. The Cu(2)-I(1) bond length is 3.02 Å. There are four inequivalent C sites. In the first C site, C(2) is bonded in a distorted trigonal planar geometry to one C(4), one N(2), and one N(3) atom. The C(2)-C(4) bond length is 1.48 Å. The C(2)-N(2) bond length is 1.34 Å. The C(2)-N(3) bond length is 1.36 Å. In the second C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one H(1), one H(2), and one H(3) atom. The C(3)-C(1) bond length is 1.48 Å. The C(3)-H(1) bond length is 1.09 Å. The C(3)-H(2) bond length is 1.10 Å. The C(3)-H(3) bond length is 1.10 Å. In the third C site, C(4) is bonded in a distorted water-like geometry to one C(2), one H(4), and one H(5) atom. The C(4)-H(4) bond length is 1.10 Å. The C(4)-H(5) bond length is 1.10 Å. In the fourth C site, C(1) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one N(3) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-N(3) bond length is 1.37 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(1), and one N(2) atom. The N(1)-N(2) bond length is 1.38 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(2), 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(2) atom. There are five inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(2) is bonded in a single-bond geometry to one C(3) atom. I(1) is bonded in a 4-coordinate geometry to one Cu(2) and three equivalent Cu(1) atoms. Linkers: 1 CC1=[N]=C(N=N1)CCC1=[N]=C(N=N1)C ,1 CC1=NN=C(CCC2=N[N]C(C)=N2)[N]1 ,1 CC1=NN=C(CCC2=NN=C(C)[N]2)[N]1. Metal clusters: 16 [Cu]. The MOF has largest included sphere 3.59 A, density 3.37 g/cm3, surface area 2131.30 m2/g, accessible volume 0.07 cm3/g