(CuC28N2H24I)2C21H16 is High Pressure Cadmuum Telluride structured and crystallizes in the tetragonal I4/mcm space group. The structure is zero-dimensional and consists of four C21H16 clusters and four CuC28N2H24I clusters. In each C21H16 cluster, there are four inequivalent C sites. In the first C site, C(12) is bonded in a tetrahedral geometry to four equivalent C(11) atoms. All C(12)-C(11) bond lengths are 1.54 Å. In the second C site, C(11) is bonded in a 5-coordinate geometry to one C(12), two equivalent C(6), and two equivalent C(7) atoms. Both C(11)-C(6) bond lengths are 1.38 Å. Both C(11)-C(7) bond lengths are 1.43 Å. In the third C site, C(6) is bonded in a distorted single-bond geometry to one C(11) and one H(6) atom. The C(6)-H(6) bond length is 0.95 Å. In the fourth C site, C(7) is bonded in a single-bond geometry to one C(11) and one H(7) atom. The C(7)-H(7) bond length is 0.95 Å. There are two inequivalent H sites. In the first H site, H(6) is bonded in a distorted single-bond geometry to one C(6) atom. In the second H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In each CuC28N2H24I cluster, Cu(1) is bonded in a 2-coordinate geometry to two equivalent N(1) and two equivalent I(1) atoms. Both Cu(1)-N(1) bond lengths are 2.04 Å. Both Cu(1)-I(1) bond lengths are 2.57 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a 4-coordinate geometry to one C(2), one C(4), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.42 Å. The C(1)-C(4) bond length is 1.11 Å. The C(1)-N(1) bond length is 1.30 Å. The C(1)-H(1) bond length is 0.95 Å. In the second C site, C(2) is bonded in a 2-coordinate geometry to one C(1), one C(3), one C(9), and one H(2) atom. The C(2)-C(3) bond length is 1.04 Å. The C(2)-C(9) bond length is 1.38 Å. The C(2)-H(2) bond length is 0.95 Å. In the third C site, C(3) is bonded in a 1-coordinate geometry to one C(2), one C(9), and one H(3) atom. The C(3)-C(9) bond length is 1.36 Å. The C(3)-H(3) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a 1-coordinate geometry to one C(1), one N(1), and one H(4) atom. The C(4)-N(1) bond length is 1.35 Å. The C(4)-H(4) bond length is 0.95 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(10) and one H(5) atom. The C(5)-C(10) bond length is 1.40 Å. The C(5)-H(5) bond length is 0.95 Å. In the sixth C site, C(9) is bonded in a 5-coordinate geometry to one C(10), two equivalent C(2), and two equivalent C(3) atoms. The C(9)-C(10) bond length is 1.49 Å. In the seventh C site, C(10) is bonded in a 5-coordinate geometry to one C(9), two equivalent C(5), and two equivalent C(8) atoms. Both C(10)-C(8) bond lengths are 1.34 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(10) and one H(8) atom. The C(8)-H(8) bond length is 0.95 Å. N(1) is bonded in a 5-coordinate geometry to one Cu(1), two equivalent C(1), and two equivalent C(4) atoms. 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(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) 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(8) is bonded in a single-bond geometry to one C(8) atom. I(1) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. Linkers: 1 [C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@]5([C@H]1[C@H]35)[C@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@@]5([C@H]1[C@H]35)[C@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@@]5([C@H]1[C@H]35)[C@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@@]5([C@H]1[C@H]35)[C@H]24.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@]23[C@H]3[C@@H]1[CH][C@@H]23.[C] ,1 [C@@H]12[C@@H]3[C@@]42[C@H]2[C@@H]4[C@H]4[C@]5([C@H]1[C@H]35)[C@@H]24.[C@@H]12[C@@H]3[C@@]42[C@H]2[C@@H]4[C@H]4[C@]5([C@H]1[C@H]35)[C@@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@@]5([C@H]1[C@H]35)[C@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@@]5([C@H]1[C@H]35)[C@H]24.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@@]23[C@H]3[C@@H]1[CH][C@@H]23.[C] ,1 [C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@]5([C@H]1[C@H]35)[C@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@@]5([C@H]1[C@H]35)[C@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@@]5([C@H]1[C@H]35)[C@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@@]5([C@H]1[C@H]35)[C@H]24.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@@]23[C@H]3[C@@H]1[CH][C@@H]23.[C] ,1 [C@@H]12[C@@H]3[C@@]42[C@H]2[C@@H]4[C@H]4[C@]5([C@H]1[C@H]35)[C@@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@@]5([C@H]1[C@H]35)[C@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@@]5([C@H]1[C@H]35)[C@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@@]5([C@H]1[C@H]35)[C@H]24.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@@]23[C@H]3[C@@H]1[CH][C@@H]23.[C] ,1 [C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@]5([C@H]1[C@H]35)[C@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@]5([C@H]1[C@H]35)[C@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@@]5([C@H]1[C@H]35)[C@H]24.[C@@H]12[C@@H]3[C@@]42[C@@H]2[C@H]4[C@@H]4[C@@]5([C@H]1[C@H]35)[C@H]24.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]1[C@@H]2[CH][C@H]3[C@@H]2[N@@]23[C@H]3[C@@H]1[CH][C@@H]23.[C]. Metal clusters: 3 I[Cu][Cu]I ,1 [Cu][Cu](I)I. The MOF has largest included sphere 5.13 A, density 1.96 g/cm3, surface area 2611.25 m2/g, accessible volume 0.15 cm3/g