CuC9N2H6ICH crystallizes in the monoclinic C2/c space group. The structure consists of eight 02329_fluka molecules inside a CuC9N2H6I framework. In the CuC9N2H6I framework, Cu(1) is bonded in a 2-coordinate geometry to one N(1), one N(2), and two equivalent I(1) atoms. The Cu(1)-N(1) bond length is 2.05 Å. The Cu(1)-N(2) bond length is 2.04 Å. There is one shorter (2.64 Å) and one longer (2.69 Å) Cu(1)-I(1) bond length. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.33 Å. The C(1)-H(1) bond length is 0.95 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(7) bond length is 1.50 Å. In the third C site, C(3) is bonded in a single-bond geometry to one C(2), one C(4), and one H(2) atom. The C(3)-C(4) bond length is 1.38 Å. The C(3)-H(2) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(4), and one C(5) atom. The C(4)-C(4) bond length is 1.51 Å. The C(4)-C(5) bond length is 1.38 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(1), and one H(3) atom. The C(5)-N(1) bond length is 1.33 Å. The C(5)-H(3) bond length is 0.95 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(2), and one H(4) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-N(2) bond length is 1.36 Å. The C(6)-H(4) bond length is 0.95 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(8) atom. The C(7)-C(8) bond length is 1.37 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7) and one H(5) atom. The C(8)-H(5) bond length is 0.95 Å. In the ninth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(7) atom. The C(10)-N(2) bond length is 1.32 Å. The C(10)-H(7) bond length is 0.95 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(10), and one C(6) atom. There are six 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. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(10) atom. I(1) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. Linkers: 5 c1cncc(-c2cncc(-c3cncc(-c4cccnc4)c3)c2)c1. Metal clusters: 4 I[Cu][Cu]I. The MOF has largest included sphere 4.99 A, density 1.39 g/cm3, surface area 3351.40 m2/g, accessible volume 0.40 cm3/g