CuC18N4H22I is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one CuC18N4H22I cluster. Cu(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one I(1) atom. The Cu(1)-N(1) bond length is 1.96 Å. The Cu(1)-N(3) bond length is 1.96 Å. The Cu(1)-I(1) bond length is 2.53 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(5), and one N(1) atom. The C(1)-C(2) bond length is 1.41 Å. The C(1)-C(5) bond length is 1.49 Å. The C(1)-N(1) bond length is 1.35 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(1) bond length is 1.08 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one N(2) atom. The C(3)-C(4) bond length is 1.49 Å. The C(3)-N(2) bond length is 1.36 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one C(3), one H(2), one H(3), and one H(4) atom. The C(4)-H(2) bond length is 1.10 Å. The C(4)-H(3) bond length is 1.10 Å. The C(4)-H(4) bond length is 1.10 Å. In the fifth C site, C(5) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one H(5), one H(6), and one H(7) atom. The C(5)-H(5) bond length is 1.10 Å. The C(5)-H(6) bond length is 1.10 Å. The C(5)-H(7) bond length is 1.10 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(7), one C(9), and one N(3) atom. The C(6)-C(7) bond length is 1.41 Å. The C(6)-C(9) bond length is 1.49 Å. The C(6)-N(3) bond length is 1.35 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6), one C(8), and one H(8) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-H(8) bond length is 1.08 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(10), one C(7), and one N(4) atom. The C(8)-C(10) bond length is 1.49 Å. The C(8)-N(4) bond length is 1.36 Å. In the ninth C site, C(9) is bonded in a distorted trigonal non-coplanar geometry to one C(6), one H(10), one H(11), and one H(9) atom. The C(9)-H(10) bond length is 1.10 Å. The C(9)-H(11) bond length is 1.10 Å. The C(9)-H(9) bond length is 1.10 Å. In the tenth C site, C(10) is bonded in a distorted trigonal non-coplanar geometry to one C(8), one H(12), one H(13), and one H(14) atom. The C(10)-H(12) bond length is 1.10 Å. The C(10)-H(13) bond length is 1.10 Å. The C(10)-H(14) bond length is 1.10 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal non-coplanar geometry to one C(12), one N(4), one H(15), and one H(16) atom. The C(11)-C(12) bond length is 1.51 Å. The C(11)-N(4) bond length is 1.45 Å. The C(11)-H(15) bond length is 1.10 Å. The C(11)-H(16) bond length is 1.10 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(14) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-C(14) bond length is 1.40 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(12) and one H(17) atom. The C(13)-H(17) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(12) and one H(18) atom. The C(14)-H(18) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(16), one C(17), and one H(19) atom. The C(15)-C(16) bond length is 1.40 Å. The C(15)-C(17) bond length is 1.39 Å. The C(15)-H(19) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(18) atom. The C(16)-C(17) bond length is 1.40 Å. The C(16)-C(18) bond length is 1.51 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(15), one C(16), and one H(20) atom. The C(17)-H(20) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal non-coplanar geometry to one C(16), one N(2), one H(21), and one H(22) atom. The C(18)-N(2) bond length is 1.45 Å. The C(18)-H(21) bond length is 1.10 Å. The C(18)-H(22) bond length is 1.10 Å. There are four 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 1.36 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one C(18), one C(3), and one N(1) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(6), and one N(4) atom. The N(3)-N(4) bond length is 1.37 Å. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one C(11), one C(8), and one N(3) atom. There are twenty-two 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(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(5) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(7) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(9) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(9) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(10) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(10) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(10) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(11) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(11) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(13) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(14) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(15) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(17) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(18) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(18) atom. I(1) is bonded in a single-bond geometry to one Cu(1) atom. Linkers: 2 Cc1cc(C)n(Cc2ccc(Cn3nc(C)cc3C)cc2)n1. Metal clusters: 2 [Cu]I. The MOF has largest included sphere 2.17 A, density 1.77 g/cm3, surface area 4748.43 m2/g, accessible volume 0.12 cm3/g