CuC9H8S(NO)3 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four CuC9H8S(NO)3 clusters. Cu(1) is bonded in a trigonal pyramidal geometry to one N(1), one N(2), one N(3), and one O(1) atom. The Cu(1)-N(1) bond length is 2.02 Å. The Cu(1)-N(2) bond length is 1.94 Å. The Cu(1)-N(3) bond length is 1.88 Å. The Cu(1)-O(1) bond length is 2.23 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.41 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(5) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(5) bond length is 1.47 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(2) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(2) 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 N(2), and one H(3) atom. The C(4)-N(2) bond length is 1.35 Å. The C(4)-H(3) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(7) atom. The C(5)-C(6) bond length is 1.41 Å. The C(5)-C(7) bond length is 1.41 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5) and one H(4,5) atom. The C(6)-H(4,5) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(5) and one H(4,5) atom. The C(7)-H(4,5) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted linear geometry to one C(9) and one N(3) atom. The C(8)-C(9) bond length is 1.43 Å. The C(8)-N(3) bond length is 1.16 Å. In the ninth C site, C(9) is bonded in a distorted trigonal non-coplanar geometry to one C(8), one H(6), one H(7), and one H(8) atom. The C(9)-H(6) bond length is 1.10 Å. The C(9)-H(7) bond length is 1.10 Å. The C(9)-H(8) bond length is 1.10 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.35 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(4), and one N(1) atom. In the third N site, N(3) is bonded in a linear geometry to one Cu(1) and one C(8) atom. There are seven 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(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4,5) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(9) atom. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. The S(1)-O(1) bond length is 1.48 Å. The S(1)-O(2) bond length is 1.47 Å. The S(1)-O(3) bond length is 1.47 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cu(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(1) atom. Linkers: 2 c1cc(-c2ccc(-c3ccnnc3)cc2)cnn1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 2.51 A, density 1.88 g/cm3, surface area 4153.94 m2/g, accessible volume 0.07 cm3/g