CoCu3C9H12S6(NI)3(CH2)6 crystallizes in the cubic I-43d space group. The structure consists of ninety-six 02329_fluka molecules inside a CoCu3C9H12S6(NI)3 framework. In each CoCu3C9H12S6(NI)3 framework, Co(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CoS6 octahedra that share edges with three equivalent Cu(1)S2I2 tetrahedra. All Co(1)-S(1) bond lengths are 2.25 Å. All Co(1)-S(2) bond lengths are 2.29 Å. Cu(1) is bonded to one S(1), one S(2), and two equivalent I(1) atoms to form distorted CuS2I2 tetrahedra that share  an edgeedge with one Co(1)S6 octahedra and  an edgeedge with one Cu(1)S2I2 tetrahedra. The Cu(1)-S(1) bond length is 2.34 Å. The Cu(1)-S(2) bond length is 2.37 Å. There is one shorter (2.60 Å) and one longer (2.63 Å) Cu(1)-I(1) bond length. There are three inequivalent C sites. In the first C site, C(5) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(7), and one H(8) atom. The C(5)-N(1) bond length is 1.47 Å. The C(5)-H(7) bond length is 1.10 Å. The C(5)-H(8) bond length is 1.10 Å. In the second C site, C(1) is bonded in a distorted single-bond geometry to one N(1), one S(1), and one S(2) atom. The C(1)-N(1) bond length is 1.32 Å. The C(1)-S(1) bond length is 1.72 Å. The C(1)-S(2) bond length is 1.72 Å. In the third C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(1), and one H(2) atom. The C(2)-N(1) bond length is 1.47 Å. The C(2)-H(1) bond length is 1.10 Å. The C(2)-H(2) bond length is 1.10 Å. N(1) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(5) atom. There are four 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(8) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(7) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(2) is bonded in a single-bond geometry to one C(2) atom. There are two inequivalent S sites. In the first S site, S(2) is bonded in a distorted T-shaped geometry to one Co(1), one Cu(1), and one C(1) atom. In the second S site, S(1) is bonded in a distorted T-shaped geometry to one Co(1), one Cu(1), and one C(1) atom. I(1) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. Linkers: 24 [S]C(=S)N1CCCC1. Metal clusters: 8 [Co] ,24 [Cu]. The MOF has largest included sphere 4.64 A, density 2.29 g/cm3, surface area 2868.80 m2/g, accessible volume 0.14 cm3/g