KC6H4SO5I crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. The K(1)-O(2) bond length is 2.81 Å. The K(1)-O(5) bond length is 2.82 Å. There is one shorter (2.92 Å) and one longer (2.97 Å) K(1)-O(1) bond length. There is one shorter (2.76 Å) and one longer (2.77 Å) K(1)-O(3) bond length. There is one shorter (2.70 Å) and one longer (3.11 Å) K(1)-O(4) bond length. There are six inequivalent C sites. In the first C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one S(1) atom. The C(4)-C(3) bond length is 1.40 Å. The C(4)-C(5) bond length is 1.40 Å. The C(4)-S(1) bond length is 1.78 Å. In the second C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one H(3) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-H(3) bond length is 1.09 Å. In the third C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(4) atom. The C(6)-C(1) bond length is 1.39 Å. The C(6)-H(4) bond length is 1.09 Å. In the fourth C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one I(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-I(1) bond length is 2.15 Å. In the fifth C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(1) bond length is 1.09 Å. In the sixth C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one H(2) atom. The C(3)-H(2) bond length is 1.09 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) 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(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. S(1) is bonded in a distorted trigonal non-coplanar geometry to one C(4), one O(3), one O(4), and one O(5) atom. The S(1)-O(3) bond length is 1.47 Å. The S(1)-O(4) bond length is 1.47 Å. The S(1)-O(5) bond length is 1.48 Å. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(1) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to one K(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(1) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one I(1) atom. The O(1)-I(1) bond length is 1.82 Å. In the fifth O site, O(2) is bonded in a distorted water-like geometry to one K(1) and one I(1) atom. The O(2)-I(1) bond length is 1.83 Å. I(1) is bonded in a distorted water-like geometry to one C(1), one O(1), and one O(2) atom. Linkers: 4 [O].[O]I.[O]S([O])([O])c1cc[c]cc1. Metal clusters: 4 [K]. The MOF has largest included sphere 1.47 A, density 2.57 g/cm3, surface area 1701.84 m2/g, accessible volume 0.03 cm3/g