CdC8H5S(NO)3 crystallizes in the monoclinic P2_1/c space group. Cd(1) is bonded to one N(1), two equivalent S(1), one O(1), and two equivalent O(2) atoms to form distorted edge-sharing CdS2NO3 octahedra. The Cd(1)-N(1) bond length is 2.32 Å. There is one shorter (2.69 Å) and one longer (2.78 Å) Cd(1)-S(1) bond length. The Cd(1)-O(1) bond length is 2.29 Å. There is one shorter (2.35 Å) and one longer (2.42 Å) Cd(1)-O(2) bond length. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(5), and one C(6) atom. The C(1)-C(2) bond length is 1.41 Å. The C(1)-C(5) bond length is 1.40 Å. The C(1)-C(6) bond length is 1.45 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(1) atom. The C(2)-H(1) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(2) atom. The C(3)-N(1) bond length is 1.35 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(5), one N(1), and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-N(1) 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 distorted single-bond geometry to one C(1), one C(4), and one H(4) atom. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted water-like geometry to one C(1), one N(2), and one O(3) atom. The C(6)-N(2) bond length is 1.31 Å. The C(6)-O(3) bond length is 1.37 Å. In the seventh C site, C(7) is bonded in a distorted water-like geometry to one N(3), one S(1), and one O(3) atom. The C(7)-N(3) bond length is 1.32 Å. The C(7)-S(1) bond length is 1.71 Å. The C(7)-O(3) bond length is 1.39 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one H(5), one O(1), and one O(2) atom. The C(8)-H(5) bond length is 1.10 Å. The C(8)-O(1) bond length is 1.26 Å. The C(8)-O(2) bond length is 1.28 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cd(1), one C(3), and one C(4) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one C(6) and one N(3) atom. The N(2)-N(3) bond length is 1.39 Å. In the third N site, N(3) is bonded in a distorted water-like geometry to one C(7) and one N(2) atom. There are five 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(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. S(1) is bonded in a trigonal non-coplanar geometry to two equivalent Cd(1) and one C(7) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cd(1) and one C(8) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cd(1) and one C(8) atom. In the third O site, O(3) is bonded in a water-like geometry to one C(6) and one C(7) atom. Linkers: 4 S=C1[N]N=C(c2ccncc2)O1. Metal clusters: 4 [Cd]. The MOF has largest included sphere 1.55 A, density 2.34 g/cm3, surface area 3298.37 m2/g, accessible volume 0.06 cm3/g