CuC11N2H10S2I is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two CuC11N2H10S2I clusters. Cu(1) is bonded in a 2-coordinate geometry to one N(1), one N(4), and two equivalent I(1) atoms. The Cu(1)-N(1) bond length is 2.00 Å. The Cu(1)-N(4) bond length is 1.99 Å. Both Cu(1)-I(1) bond lengths are 2.73 Å. There are eleven inequivalent C sites. In the first C site, C(1,2) is bonded in a water-like geometry to one H(1,2); one H(3,4); one S(1,2); and one S(3,4) atom. The C(1,2)-H(1,2) bond length is 1.10 Å. The C(1,2)-H(3,4) bond length is 1.10 Å. The C(1,2)-S(1,2) bond length is 1.81 Å. The C(1,2)-S(3,4) bond length is 1.80 Å. In the second C site, C(3,4) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(1), and one H(5) atom. The C(3,4)-C(5) bond length is 1.39 Å. The C(3,4)-N(1) bond length is 1.35 Å. The C(3,4)-H(5) bond length is 1.09 Å. In the third C site, C(5) is bonded in a distorted trigonal planar geometry to one C(3,4); one C(7,8); and one H(7,8) atom. The C(5)-C(7,8) bond length is 1.40 Å. The C(5)-H(7,8) bond length is 1.09 Å. In the fourth C site, C(7,8) is bonded in a trigonal planar geometry to one C(5); one C(9); and one S(1,2) atom. The C(7,8)-C(9) bond length is 1.41 Å. The C(7,8)-S(1,2) bond length is 1.74 Å. In the fifth C site, C(9) is bonded in a distorted single-bond geometry to one C(11); one C(7,8); and one H(9,10) atom. The C(9)-C(11) bond length is 1.38 Å. The C(9)-H(9,10) bond length is 1.09 Å. In the sixth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(9), one N(1), and one H(11) atom. The C(11)-N(1) bond length is 1.35 Å. The C(11)-H(11) bond length is 1.09 Å. In the seventh C site, C(14) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(13,14) atom. The C(14)-N(4) bond length is 1.35 Å. The C(14)-H(13,14) bond length is 1.09 Å. In the eighth C site, C(15,16) is bonded in a distorted single-bond geometry to one C(17,18) and one H(15,16) atom. The C(15,16)-C(17,18) bond length is 1.41 Å. The C(15,16)-H(15,16) bond length is 1.09 Å. In the ninth C site, C(17,18) is bonded in a trigonal planar geometry to one C(15,16); one C(19,20); and one S(3,4) atom. The C(17,18)-C(19,20) bond length is 1.41 Å. The C(17,18)-S(3,4) bond length is 1.75 Å. In the tenth C site, C(19,20) is bonded in a distorted single-bond geometry to one C(17,18) and one H(17,18) atom. The C(19,20)-H(17,18) bond length is 1.09 Å. In the eleventh C site, C(22) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(19,20) atom. The C(22)-N(4) bond length is 1.36 Å. The C(22)-H(19,20) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1); one C(11); and one C(3,4) atom. In the second N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(14), and one C(22) atom. There are ten inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(1,2) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(1,2) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(3,4) atom. In the fourth H site, H(7,8) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(9,10) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the seventh H site, H(13,14) is bonded in a single-bond geometry to one C(13) atom. The H(13,14)-C(13) bond length is 1.09 Å. In the eighth H site, H(15,16) is bonded in a single-bond geometry to one C(15,16) atom. In the ninth H site, H(17,18) is bonded in a single-bond geometry to one C(19,20) atom. In the tenth H site, H(19,20) is bonded in a single-bond geometry to one C(21) atom. The H(19,20)-C(21) bond length is 1.09 Å. There are two inequivalent S sites. In the first S site, S(1,2) is bonded in a water-like geometry to one C(1,2) and one C(7,8) atom. In the second S site, S(3,4) is bonded in a water-like geometry to one C(1,2) and one C(17,18) atom. I(1) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. Linkers: 4 c1cc(SCSc2ccncc2)ccn1. Metal clusters: 2 I[Cu][Cu]I. The MOF has largest included sphere 1.93 A, density 2.14 g/cm3, surface area 3675.06 m2/g, accessible volume 0.12 cm3/g