CuC6H6(SO)2 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in a distorted trigonal pyramidal geometry to one S(1), one S(2), one O(1), and one O(2) atom. The Cu(1)-S(1) bond length is 2.20 Å. The Cu(1)-S(2) bond length is 2.26 Å. The Cu(1)-O(1) bond length is 2.10 Å. The Cu(1)-O(2) bond length is 1.99 Å. There are six inequivalent C sites. In the first C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. The C(2)-C(1) bond length is 1.52 Å. The C(2)-C(3) bond length is 1.41 Å. The C(2)-C(4) bond length is 1.41 Å. In the second C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one S(1) atom. The C(3)-C(4) bond length is 1.41 Å. The C(3)-S(1) bond length is 1.79 Å. In the third C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(3), and one S(2) atom. The C(4)-S(2) bond length is 1.79 Å. In the fourth C site, C(5) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), one H(3), and one S(1) atom. The C(5)-H(1) bond length is 1.09 Å. The C(5)-H(2) bond length is 1.10 Å. The C(5)-H(3) bond length is 1.09 Å. The C(5)-S(1) bond length is 1.82 Å. In the fifth C site, C(6) is bonded in a trigonal non-coplanar geometry to one H(4), one H(5), one H(6), and one S(2) atom. The C(6)-H(4) bond length is 1.09 Å. The C(6)-H(5) bond length is 1.10 Å. The C(6)-H(6) bond length is 1.09 Å. The C(6)-S(2) bond length is 1.82 Å. In the sixth C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-O(1) bond length is 1.26 Å. The C(1)-O(2) bond length is 1.27 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Cu(1), one C(3), and one C(5) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Cu(1), one C(4), and one C(6) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(1) atom. Linkers: 2 CSc1c(SC)c(C([O])=O)c(SC)c(SC)c1C([O])=O. Metal clusters: 4 [Cu]. RCSR code: rtl. The MOF has largest included sphere 3.00 A, density 1.97 g/cm3, surface area 3231.86 m2/g, accessible volume 0.11 cm3/g