CuC9N2H6ICH crystallizes in the monoclinic Cc space group. The structure consists of eight 02329_fluka molecules inside a CuC9N2H6I framework. In the CuC9N2H6I framework, there are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 2-coordinate geometry to one N(1), one N(2), one I(1), and one I(2) atom. The Cu(1)-N(1) bond length is 2.08 Å. The Cu(1)-N(2) bond length is 2.05 Å. The Cu(1)-I(1) bond length is 2.70 Å. The Cu(1)-I(2) bond length is 2.64 Å. In the second Cu site, Cu(2) is bonded in a 2-coordinate geometry to one N(3), one N(4), one I(1), and one I(2) atom. The Cu(2)-N(3) bond length is 2.06 Å. The Cu(2)-N(4) bond length is 2.02 Å. The Cu(2)-I(1) bond length is 2.65 Å. The Cu(2)-I(2) bond length is 2.71 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a 2-coordinate 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 1.39 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 1.39 Å. The C(2)-C(7) bond length is 1.57 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(2) atom. The C(3)-H(2) bond length is 0.95 Å. In the fourth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(5)-N(1) bond length is 1.39 Å. The C(5)-H(4) bond length is 0.95 Å. In the fifth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(7), one N(2), and one H(5) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-N(2) bond length is 1.39 Å. The C(6)-H(5) bond length is 0.95 Å. In the sixth 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 1.39 Å. In the seventh C site, C(8) is bonded in a single-bond geometry to one C(7), one C(9), and one H(6) atom. The C(8)-C(9) bond length is 1.39 Å. The C(8)-H(6) bond length is 0.95 Å. In the eighth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(8) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-C(12) bond length is 1.48 Å. In the ninth C site, C(10) is bonded in a 3-coordinate geometry to one C(9), one N(2), and one H(7) atom. The C(10)-N(2) bond length is 1.39 Å. The C(10)-H(7) bond length is 0.95 Å. In the tenth C site, C(11) is bonded in a 2-coordinate geometry to one C(12), one N(3), and one H(8) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-N(3) bond length is 1.39 Å. The C(11)-H(8) bond length is 0.95 Å. In the eleventh C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(9) atom. The C(12)-C(13) bond length is 1.39 Å. In the twelfth C site, C(13) is bonded in a single-bond geometry to one C(12), one C(14), and one H(9) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-H(9) bond length is 0.95 Å. In the thirteenth C site, C(14) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(17) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-C(17) bond length is 1.39 Å. In the fourteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(14), one N(3), and one H(10) atom. The C(15)-N(3) bond length is 1.39 Å. The C(15)-H(10) bond length is 0.95 Å. In the fifteenth C site, C(16) is bonded in a 2-coordinate geometry to one C(17), one N(4), and one H(11) atom. The C(16)-C(17) bond length is 1.39 Å. The C(16)-N(4) bond length is 1.39 Å. The C(16)-H(11) bond length is 0.95 Å. In the sixteenth C site, C(17) is bonded in a trigonal planar geometry to one C(14), one C(16), and one C(18) atom. The C(17)-C(18) bond length is 1.39 Å. In the seventeenth C site, C(18) is bonded in a distorted single-bond geometry to one C(17) and one H(12) atom. The C(18)-H(12) bond length is 0.95 Å. In the eighteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(14) atom. The C(20)-N(4) bond length is 1.39 Å. The C(20)-H(14) bond length is 0.95 Å. There are four 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. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(2), one C(11), and one C(15) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(2), one C(16), and one C(20) atom. There are twelve 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(4) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(6) 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. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(13) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(15) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(16) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(18) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(20) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 2-coordinate geometry to one Cu(1) and one Cu(2) atom. In the second I site, I(2) is bonded in a 2-coordinate geometry to one Cu(1) and one Cu(2) atom. Linkers: 2 c1cncc(-c2cncc(-c3cncc(-c4cccnc4)c3)c2)c1. Metal clusters: 2 I[Cu][Cu]I. The MOF has largest included sphere 5.28 A, density 1.39 g/cm3, surface area 3334.06 m2/g, accessible volume 0.43 cm3/g