(CuC8N2H8I)2C21H16(C5H4)8 is Indium-derived structured and crystallizes in the tetragonal I4/mcm space group. The structure is zero-dimensional and consists of four C21H16 clusters, sixteen C5H4 clusters, and four CuC8N2H8I clusters. In each C21H16 cluster, there are four inequivalent C sites. In the first C site, C(2) is bonded in a single-bond geometry to one C(10) and one H(4) atom. The C(2)-C(10) bond length is 1.40 Å. The C(2)-H(4) bond length is 0.95 Å. In the second C site, C(9) is bonded in a tetrahedral geometry to four equivalent C(10) atoms. All C(9)-C(10) bond lengths are 1.55 Å. In the third C site, C(4) is bonded in a distorted single-bond geometry to one C(10) and one H(1) atom. The C(4)-C(10) bond length is 1.39 Å. The C(4)-H(1) bond length is 0.95 Å. In the fourth C site, C(10) is bonded in a 5-coordinate geometry to one C(9), two equivalent C(2), and two equivalent C(4) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one C(4) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In each C5H4 cluster, there are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(12) and one H(3) atom. The C(1)-C(12) bond length is 1.38 Å. The C(1)-H(3) bond length is 0.95 Å. In the second C site, C(3) is bonded in a distorted single-bond geometry to one C(12) and one H(2) atom. The C(3)-C(12) bond length is 1.42 Å. The C(3)-H(2) bond length is 0.95 Å. In the third C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(11), one C(6), and one H(8) atom. The C(5)-C(11) bond length is 1.43 Å. The C(5)-C(6) bond length is 0.96 Å. The C(5)-H(8) bond length is 0.95 Å. In the fourth C site, C(6) is bonded in a 2-coordinate geometry to one C(11), one C(5), and one H(7) atom. The C(6)-C(11) bond length is 1.35 Å. The C(6)-H(7) bond length is 0.95 Å. In the fifth C site, C(11) is bonded in a 5-coordinate geometry to one C(12), two equivalent C(5), and two equivalent C(6) atoms. The C(11)-C(12) bond length is 1.48 Å. In the sixth C site, C(12) is bonded in a 5-coordinate geometry to one C(11), two equivalent C(1), and two equivalent C(3) atoms. There are four inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(7) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one C(5) atom. In each CuC8N2H8I cluster, Cu(1) is bonded in a distorted water-like geometry to two equivalent N(1) and two equivalent I(1) atoms. Both Cu(1)-N(1) bond lengths are 2.05 Å. Both Cu(1)-I(1) bond lengths are 2.64 Å. There are two inequivalent C sites. In the first C site, C(7) is bonded in a 3-coordinate geometry to one C(8), one N(1), and one H(5) atom. The C(7)-C(8) bond length is 0.94 Å. The C(7)-N(1) bond length is 1.30 Å. The C(7)-H(5) bond length is 0.95 Å. In the second C site, C(8) is bonded in a 3-coordinate geometry to one C(7), one N(1), and one H(6) atom. The C(8)-N(1) bond length is 1.36 Å. The C(8)-H(6) bond length is 0.95 Å. N(1) is bonded in a 5-coordinate geometry to one Cu(1), two equivalent C(7), and two equivalent C(8) atoms. There are two inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the second H site, H(6) 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: 2 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C].[C]1[C@@H]2[CH][CH][C@@H]2[N][C@@H]2[CH][CH][C@H]12.[C]1[C@@H]2[CH][CH][C@@H]2[N][C@@H]2[CH][CH][C@H]12.[C]1[C@@H]2[CH][CH][C@@H]2[N][C@@H]2[CH][CH][C@H]12.[C]1[C@@H]2[CH][CH][C@@H]2[N][C@@H]2[CH][CH][C@H]12 ,1 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@H]4[C@@H]5[C@H]([C@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@H]4[C@@H]5[C@H]([C@H]41)C235.[C].[C]1[C@@H]2[CH][CH][C@@H]2[N][C@@H]2[CH][CH][C@H]12.[C]1[C@@H]2[CH][CH][C@@H]2[N][C@@H]2[CH][CH][C@H]12.[C]1[C@@H]2[CH][CH][C@@H]2[N][C@@H]2[CH][CH][C@H]12.[C]1[C@@H]2[CH][CH][C@@H]2[N][C@@H]2[CH][CH][C@H]12 ,1 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@H]4[C@@H]5[C@H]([C@H]41)C235.[C].[C]1[C@@H]2[CH][CH][C@@H]2[N][C@@H]2[CH][CH][C@H]12.[C]1[C@@H]2[CH][CH][C@@H]2[N][C@@H]2[CH][CH][C@H]12.[C]1[C@@H]2[CH][CH][C@@H]2[N][C@@H]2[CH][CH][C@H]12.[C]1[C@@H]2[CH][CH][C@@H]2[N][C@@H]2[CH][CH][C@H]12. Metal clusters: 4 I[Cu][Cu]I. The MOF has largest included sphere 5.24 A, density 1.96 g/cm3, surface area 2764.57 m2/g, accessible volume 0.13 cm3/g