Cu2C13N3H19SOI2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Cu2C13N3H19SOI2 cluster. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one N(3), one S(1), one I(1), and one I(2) atom. The Cu(1)-N(3) bond length is 1.92 Å. The Cu(1)-S(1) bond length is 2.30 Å. The Cu(1)-I(1) bond length is 2.70 Å. The Cu(1)-I(2) bond length is 2.60 Å. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one N(1), one I(2), and two equivalent I(1) atoms. The Cu(2)-N(1) bond length is 2.02 Å. The Cu(2)-I(2) bond length is 2.72 Å. There is one shorter (2.64 Å) and one longer (2.68 Å) Cu(2)-I(1) bond length. There are thirteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one H(2) atom. The C(1)-C(5) bond length is 1.40 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(2) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(3) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-N(1) bond length is 1.35 Å. The C(2)-H(3) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one H(4) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(4) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(5) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(5) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(1), one C(4), and one N(2) atom. The C(5)-N(2) bond length is 1.40 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(2) and one O(1) atom. The C(6)-N(2) bond length is 1.37 Å. The C(6)-O(1) bond length is 1.24 Å. In the seventh C site, C(7) is bonded in a distorted water-like geometry to one H(6), one H(7), and one S(1) atom. The C(7)-H(6) bond length is 1.10 Å. The C(7)-H(7) bond length is 1.10 Å. The C(7)-S(1) bond length is 1.81 Å. In the eighth C site, C(8) is bonded in a tetrahedral geometry to one C(10), one C(11), one C(9), and one S(1) atom. The C(8)-C(10) bond length is 1.52 Å. The C(8)-C(11) bond length is 1.53 Å. The C(8)-C(9) bond length is 1.53 Å. The C(8)-S(1) bond length is 1.87 Å. In the ninth C site, C(9) is bonded in a trigonal non-coplanar geometry to one C(8), one H(10), one H(8), and one H(9) atom. The C(9)-H(10) bond length is 1.10 Å. The C(9)-H(8) 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 trigonal non-coplanar geometry to one C(8), one H(11), one H(12), and one H(13) atom. The C(10)-H(11) bond length is 1.10 Å. The C(10)-H(12) bond length is 1.10 Å. The C(10)-H(13) bond length is 1.10 Å. In the eleventh C site, C(11) is bonded in a trigonal non-coplanar geometry to one C(8), one H(14), one H(15), and one H(16) atom. The C(11)-H(14) bond length is 1.10 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 distorted linear geometry to one C(13) and one N(3) atom. The C(12)-C(13) bond length is 1.44 Å. The C(12)-N(3) bond length is 1.16 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal non-coplanar geometry to one C(12), one H(17), one H(18), and one H(19) atom. The C(13)-H(17) bond length is 1.10 Å. The C(13)-H(18) bond length is 1.10 Å. The C(13)-H(19) bond length is 1.10 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(2), one C(1), and one C(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(5), one C(6), and one H(1) atom. The N(2)-H(1) bond length is 1.03 Å. In the third N site, N(3) is bonded in a distorted linear geometry to one Cu(1) and one C(12) atom. There are nineteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(9) 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(10) 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(11) 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(13) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(13) atom. S(1) is bonded in a trigonal non-coplanar geometry to one Cu(1), one C(7), and one C(8) atom. O(1) is bonded in a single-bond geometry to one C(6) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. In the second I site, I(2) is bonded in a 2-coordinate geometry to one Cu(1) and one Cu(2) atom. Linkers: 2 CC(C)(C)SCC(=O)Nc1cccnc1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 2.08 A, density 2.36 g/cm3, surface area 3248.59 m2/g, accessible volume 0.11 cm3/g