Cd3C4H8S2(N5O3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one N(1), one N(4), one N(7), one O(1), one O(5), and one O(6) atom. The Cd(1)-N(1) bond length is 2.20 Å. The Cd(1)-N(4) bond length is 2.59 Å. The Cd(1)-N(7) bond length is 2.22 Å. The Cd(1)-O(1) bond length is 2.35 Å. The Cd(1)-O(5) bond length is 2.29 Å. The Cd(1)-O(6) bond length is 2.66 Å. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to one N(3), one N(6), one O(1), one O(2), one O(3), and one O(4) atom. The Cd(2)-N(3) bond length is 2.31 Å. The Cd(2)-N(6) bond length is 2.29 Å. The Cd(2)-O(1) bond length is 2.40 Å. The Cd(2)-O(2) bond length is 2.68 Å. The Cd(2)-O(3) bond length is 2.36 Å. The Cd(2)-O(4) bond length is 2.29 Å. In the third Cd site, Cd(3) is bonded in an octahedral geometry to one N(2), one N(8), one O(2), one O(3), one O(4), and one O(5) atom. The Cd(3)-N(2) bond length is 2.32 Å. The Cd(3)-N(8) bond length is 2.36 Å. The Cd(3)-O(2) bond length is 2.35 Å. The Cd(3)-O(3) bond length is 2.42 Å. The Cd(3)-O(4) bond length is 2.34 Å. The Cd(3)-O(5) bond length is 2.33 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(4) atom. The C(1)-N(1) bond length is 1.36 Å. The C(1)-N(2) bond length is 1.33 Å. The C(1)-N(4) bond length is 1.38 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(1), one N(3), and one N(5) atom. The C(2)-N(1) bond length is 1.37 Å. The C(2)-N(3) bond length is 1.33 Å. The C(2)-N(5) bond length is 1.39 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(6), one N(7), and one N(9) atom. The C(3)-N(6) bond length is 1.36 Å. The C(3)-N(7) bond length is 1.33 Å. The C(3)-N(9) bond length is 1.37 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(10), one N(6), and one N(8) atom. The C(4)-N(10) bond length is 1.35 Å. The C(4)-N(6) bond length is 1.37 Å. The C(4)-N(8) bond length is 1.34 Å. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(1), and one C(2) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cd(3), one C(1), 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 3-coordinate geometry to one Cd(2), one C(2), and one N(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one C(1), one H(1), and one H(2) atom. The N(4)-H(1) bond length is 1.02 Å. The N(4)-H(2) bond length is 1.03 Å. In the fifth N site, N(5) is bonded in a distorted trigonal non-coplanar geometry to one C(2), one H(3), and one H(4) atom. The N(5)-H(3) bond length is 1.02 Å. The N(5)-H(4) bond length is 1.02 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(3), and one C(4) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Cd(1), one C(3), and one N(8) atom. The N(7)-N(8) bond length is 1.41 Å. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Cd(3), one C(4), and one N(7) atom. In the ninth N site, N(9) is bonded in a distorted trigonal planar geometry to one C(3), one H(5), and one H(6) atom. The N(9)-H(5) bond length is 1.02 Å. The N(9)-H(6) bond length is 1.03 Å. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one C(4), one H(7), and one H(8) atom. The N(10)-H(7) bond length is 1.02 Å. The N(10)-H(8) bond length is 1.01 Å. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(10) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(10) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. The S(1)-O(1) bond length is 1.56 Å. The S(1)-O(2) bond length is 1.54 Å. The S(1)-O(3) bond length is 1.57 Å. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. The S(2)-O(4) bond length is 1.56 Å. The S(2)-O(5) bond length is 1.55 Å. The S(2)-O(6) bond length is 1.54 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted single-bond geometry to one Cd(1) and one S(2) atom. In the second O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Cd(2), and one S(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Cd(2), one Cd(3), and one S(1) atom. In the fourth O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Cd(2), one Cd(3), and one S(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cd(2), one Cd(3), and one S(2) atom. In the sixth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Cd(3), and one S(2) atom. Linkers: 4 NC1=[N]=C(N=N1)N ,3 NC1=NC(N)=N[N]1. Metal clusters: 12 [Cd]. The MOF has largest included sphere 3.26 A, density 2.95 g/cm3, surface area 2267.79 m2/g, accessible volume 0.11 cm3/g