CdC20H14S2(NO)4 crystallizes in the monoclinic P2_1/c space group. Cd(1) is bonded to one N(1), one N(3), one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form edge-sharing CdN2O5 pentagonal bipyramids. The Cd(1)-N(1) bond length is 2.32 Å. The Cd(1)-N(3) bond length is 2.30 Å. The Cd(1)-O(2) bond length is 2.38 Å. The Cd(1)-O(3) bond length is 2.41 Å. The Cd(1)-O(4) bond length is 2.49 Å. There is one shorter (2.47 Å) and one longer (2.63 Å) Cd(1)-O(1) bond length. There are twenty inequivalent C sites. In the first C site, C(18) is bonded in a distorted trigonal planar geometry to one C(17), one C(20), and one N(4) atom. The C(18)-C(17) bond length is 1.39 Å. The C(18)-C(20) bond length is 1.49 Å. The C(18)-N(4) bond length is 1.36 Å. In the second C site, C(19) is bonded in a bent 120 degrees geometry to one C(17), one O(3), and one O(4) atom. The C(19)-C(17) bond length is 1.48 Å. The C(19)-O(3) bond length is 1.28 Å. The C(19)-O(4) bond length is 1.27 Å. In the third C site, C(20) is bonded in a distorted trigonal non-coplanar geometry to one C(18), one H(12), one H(13), and one H(14) atom. The C(20)-H(12) bond length is 1.10 Å. The C(20)-H(13) bond length is 1.10 Å. The C(20)-H(14) bond length is 1.09 Å. In the fourth C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the fifth C site, C(2) is bonded in a distorted single-bond geometry to one C(3) and one H(2) atom. The C(2)-C(3) bond length is 1.41 Å. The C(2)-H(2) bond length is 1.09 Å. In the sixth C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(6) bond length is 1.46 Å. In the seventh C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 1.09 Å. In the eighth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(1), and one H(4) atom. The C(5)-N(1) bond length is 1.34 Å. The C(5)-H(4) bond length is 1.09 Å. In the ninth C site, C(6) is bonded in a distorted single-bond geometry to one C(3), one N(2), and one S(1) atom. The C(6)-N(2) bond length is 1.33 Å. The C(6)-S(1) bond length is 1.73 Å. In the tenth C site, C(7) is bonded in a trigonal planar geometry to one C(8), one C(9), and one S(1) atom. The C(7)-C(8) bond length is 1.40 Å. The C(7)-C(9) bond length is 1.48 Å. The C(7)-S(1) bond length is 1.72 Å. In the eleventh C site, C(8) is bonded in a distorted trigonal planar geometry to one C(10), one C(7), and one N(2) atom. The C(8)-C(10) bond length is 1.49 Å. The C(8)-N(2) bond length is 1.36 Å. In the twelfth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(1), and one O(2) atom. The C(9)-O(1) bond length is 1.28 Å. The C(9)-O(2) bond length is 1.27 Å. In the thirteenth C site, C(10) is bonded in a trigonal non-coplanar geometry to one C(8), one H(5), one H(6), and one H(7) atom. The C(10)-H(5) bond length is 1.10 Å. The C(10)-H(6) bond length is 1.10 Å. The C(10)-H(7) bond length is 1.10 Å. In the fourteenth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(8) atom. The C(11)-N(3) bond length is 1.35 Å. The C(11)-H(8) bond length is 1.09 Å. In the fifteenth C site, C(12) is bonded in a distorted single-bond geometry to one C(13) and one H(9) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-H(9) bond length is 1.09 Å. In the sixteenth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(16) atom. The C(13)-C(14) bond length is 1.41 Å. The C(13)-C(16) bond length is 1.46 Å. In the seventeenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one C(15), and one H(10) atom. The C(14)-C(15) bond length is 1.38 Å. The C(14)-H(10) bond length is 1.09 Å. In the eighteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(14), one N(3), and one H(11) atom. The C(15)-N(3) bond length is 1.35 Å. The C(15)-H(11) bond length is 1.09 Å. In the nineteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(13), one N(4), and one S(2) atom. The C(16)-N(4) bond length is 1.32 Å. The C(16)-S(2) bond length is 1.73 Å. In the twentieth C site, C(17) is bonded in a trigonal planar geometry to one C(18), one C(19), and one S(2) atom. The C(17)-S(2) bond length is 1.72 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cd(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a water-like geometry to one C(6) and one C(8) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cd(1), one C(11), and one C(15) atom. In the fourth N site, N(4) is bonded in a water-like geometry to one C(16) and one C(18) atom. There are fourteen 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(2) 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(10) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(12) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(15) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(20) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(20) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(20) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one C(6) and one C(7) atom. In the second S site, S(2) is bonded in an L-shaped geometry to one C(16) and one C(17) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cd(1) and one C(9) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cd(1) and one C(9) atom. In the third O site, O(3) is bonded in a distorted L-shaped geometry to one Cd(1) and one C(19) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Cd(1) and one C(19) atom. Linkers: 8 Cc1nc(-c2ccncc2)sc1C([O])=O. Metal clusters: 2 [C]1O[Cd]2(O1)O[C]O[Cd]1(O[C]O1)O[C]O2. The MOF has largest included sphere 6.88 A, density 1.29 g/cm3, surface area 4350.40 m2/g, accessible volume 0.39 cm3/g