Cu2C7N5H3ICH crystallizes in the monoclinic C2/c space group. The structure consists of eight 02329_fluka molecules inside a Cu2C7N5H3I framework. In the Cu2C7N5H3I framework, there are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted tetrahedral geometry to one N(1), one N(3), one N(5), and one I(1) atom. The Cu(1)-N(1) bond length is 2.06 Å. The Cu(1)-N(3) bond length is 1.98 Å. The Cu(1)-N(5) bond length is 1.90 Å. The Cu(1)-I(1) bond length is 2.69 Å. In the second Cu site, Cu(2) is bonded in a distorted water-like geometry to one N(2), one N(4), and two equivalent I(1) atoms. The Cu(2)-N(2) bond length is 2.06 Å. The Cu(2)-N(4) bond length is 2.02 Å. There is one shorter (2.62 Å) and one longer (2.65 Å) Cu(2)-I(1) bond length. There are seven inequivalent C sites. In the first C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(5)-C(4) bond length is 1.41 Å. The C(5)-C(6) bond length is 1.40 Å. The C(5)-C(8) bond length is 1.41 Å. In the second C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(4) atom. The C(6)-C(1) bond length is 1.40 Å. The C(6)-H(4) bond length is 1.09 Å. In the third C site, C(7) is bonded in a distorted water-like geometry to one C(1), one N(1), and one N(4) atom. The C(7)-C(1) bond length is 1.46 Å. The C(7)-N(1) bond length is 1.35 Å. The C(7)-N(4) bond length is 1.35 Å. In the fourth C site, C(8) is bonded in a distorted linear geometry to one C(5) and one N(5) atom. The C(8)-N(5) bond length is 1.17 Å. In the fifth C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(3) atom. The C(4)-H(3) bond length is 1.09 Å. In the sixth C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(7) atom. The C(1)-C(2) bond length is 1.41 Å. In the seventh C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(1) atom. The C(2)-H(1) bond length is 1.09 Å. There are five inequivalent N sites. In the first N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one N(2), and one N(4) atom. The N(3)-N(2) bond length is 1.32 Å. The N(3)-N(4) bond length is 1.35 Å. In the second N site, N(4) is bonded in a 3-coordinate geometry to one Cu(2), one C(7), and one N(3) atom. In the third N site, N(5) is bonded in a bent 150 degrees geometry to one Cu(1) and one C(8) atom. In the fourth N site, N(1) is bonded in a 3-coordinate geometry to one Cu(1), one C(7), and one N(2) atom. The N(1)-N(2) bond length is 1.34 Å. In the fifth N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one N(1), and one N(3) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(6) atom. I(1) is bonded in a distorted T-shaped geometry to one Cu(1) and two equivalent Cu(2) atoms. Linkers: 3 N#Cc1cccc(C2=NN=N[N]2)c1. Metal clusters: 8 [Cu]. The MOF has largest included sphere 2.63 A, density 2.81 g/cm3, surface area 2647.54 m2/g, accessible volume 0.06 cm3/g