CuC6H4SO5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Cu(1)-O(1) bond lengths are 1.99 Å. Both Cu(1)-O(3) bond lengths are 1.94 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(5) atoms. Both Cu(2)-O(2) bond lengths are 1.96 Å. Both Cu(2)-O(5) bond lengths are 1.97 Å. There are six inequivalent C sites. In the first C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(4) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(4) bond length is 1.09 Å. In the second C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one S(1) atom. The C(5)-C(6) bond length is 1.48 Å. The C(5)-S(1) bond length is 1.72 Å. In the third C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(3), and one O(4) atom. The C(6)-O(3) bond length is 1.29 Å. The C(6)-O(4) bond length is 1.26 Å. In the fourth 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)-C(2) bond length is 1.46 Å. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.29 Å. In the fifth C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one S(1) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-S(1) bond length is 1.72 Å. In the sixth C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(3) atom. The C(3)-H(3) bond length is 1.09 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(4) and one O(5) atom. The H(1)-O(4) bond length is 1.47 Å. The H(1)-O(5) bond length is 1.05 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. The H(2)-O(5) bond length is 0.98 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. S(1) is bonded in an L-shaped geometry to one C(2) and one C(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cu(2), one H(1), and one H(2) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one C(6) and one H(1) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(6) atom. Linkers: 4 [O]C(=O)c1ccc(C([O])=O)s1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 4.72 A, density 1.51 g/cm3, surface area 3574.29 m2/g, accessible volume 0.23 cm3/g