CdC20H16S2(N3I)2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two CdC20H16S2(N3I)2 clusters. Cd(1) is bonded in a distorted tetrahedral geometry to one N(5), one N(6), one I(1), and one I(2) atom. The Cd(1)-N(5) bond length is 2.31 Å. The Cd(1)-N(6) bond length is 2.31 Å. The Cd(1)-I(1) bond length is 2.72 Å. The Cd(1)-I(2) bond length is 2.72 Å. There are seventeen inequivalent C sites. In the first C site, C(1,2) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(3) atom. The C(1,2)-C(11) bond length is 1.40 Å. The C(1,2)-C(13) bond length is 1.40 Å. The C(1,2)-C(3) bond length is 1.47 Å. In the second C site, C(3) is bonded in a distorted trigonal planar geometry to one C(1,2); one C(9,10); and one N(1) atom. The C(3)-C(9,10) bond length is 1.40 Å. The C(3)-N(1) bond length is 1.35 Å. In the third C site, C(4) is bonded in a distorted trigonal planar geometry to one C(1,2); one C(9,10); and one N(2) atom. The C(4)-C(1,2) bond length is 1.48 Å. The C(4)-C(9,10) bond length is 1.40 Å. The C(4)-N(2) bond length is 1.35 Å. In the fourth C site, C(5) is bonded in a distorted trigonal planar geometry to one N(1), one N(3), and one S(1) atom. The C(5)-N(1) bond length is 1.34 Å. The C(5)-N(3) bond length is 1.35 Å. The C(5)-S(1) bond length is 1.75 Å. In the fifth C site, C(6) is bonded in a distorted trigonal planar geometry to one N(2), one N(4), and one S(2) atom. The C(6)-N(2) bond length is 1.34 Å. The C(6)-N(4) bond length is 1.35 Å. The C(6)-S(2) bond length is 1.75 Å. In the sixth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(1,2) atom. The C(7)-N(3) bond length is 1.34 Å. The C(7)-H(1,2) bond length is 1.09 Å. In the seventh C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(1,2) atom. The C(8)-N(4) bond length is 1.34 Å. The C(8)-H(1,2) bond length is 1.09 Å. In the eighth C site, C(9,10) is bonded in a distorted single-bond geometry to one C(3) and one H(3,4) atom. The C(9,10)-H(3,4) bond length is 1.09 Å. In the ninth C site, C(11) is bonded in a distorted single-bond geometry to one C(1,2) and one H(5,6) atom. The C(11)-H(5,6) bond length is 1.09 Å. In the tenth C site, C(12) is bonded in a distorted single-bond geometry to one C(1,2) and one H(5,6) atom. The C(12)-C(1,2) bond length is 1.40 Å. The C(12)-H(5,6) bond length is 1.09 Å. In the eleventh C site, C(13) is bonded in a distorted trigonal planar geometry to one C(1,2); one N(5); and one H(7,8) atom. The C(13)-N(5) bond length is 1.34 Å. The C(13)-H(7,8) bond length is 1.09 Å. In the twelfth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(1,2); one N(6); and one H(7,8) atom. The C(14)-C(1,2) bond length is 1.40 Å. The C(14)-N(6) bond length is 1.34 Å. The C(14)-H(7,8) bond length is 1.09 Å. In the thirteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(19), one N(5), and one H(9) atom. The C(15)-C(19) bond length is 1.39 Å. The C(15)-N(5) bond length is 1.35 Å. The C(15)-H(9) bond length is 1.09 Å. In the fourteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(20), one N(6), and one H(10) atom. The C(16)-C(20) bond length is 1.39 Å. The C(16)-N(6) bond length is 1.35 Å. The C(16)-H(10) bond length is 1.09 Å. In the fifteenth C site, C(17,18) is bonded in a distorted water-like geometry to one H(11), one H(13), and one S(1) atom. The C(17,18)-H(11) bond length is 1.10 Å. The C(17,18)-H(13) bond length is 1.10 Å. The C(17,18)-S(1) bond length is 1.81 Å. In the sixteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(15) and one H(15) atom. The C(19)-H(15) bond length is 1.09 Å. In the seventeenth C site, C(20) is bonded in a distorted single-bond geometry to one C(16) and one H(16) atom. The C(20)-H(16) bond length is 1.09 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(3) and one C(5) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(4) and one C(6) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one C(5) and one C(7) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one C(6) and one C(8) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cd(1), one C(13), and one C(15) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cd(1), one C(14), and one C(16) atom. There are twelve inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(7) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(9,10) atom. In the third H site, H(5,6) is bonded in a single-bond geometry to one C(11) atom. In the fourth H site, H(7,8) is bonded in a single-bond geometry to one C(13) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(15) atom. In the sixth H site, H(10) is bonded in a single-bond geometry to one C(16) atom. In the seventh H site, H(11) is bonded in a single-bond geometry to one C(17,18) atom. In the eighth H site, H(12) is bonded in a single-bond geometry to one C(17,18) atom. The H(12)-C(17,18) bond length is 1.10 Å. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(17,18) atom. In the tenth H site, H(14) is bonded in a single-bond geometry to one C(17,18) atom. The H(14)-C(17,18) bond length is 1.10 Å. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(19) atom. In the twelfth H site, H(16) 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 a water-like geometry to one C(17,18) and one C(5) atom. In the second S site, S(2) is bonded in a water-like geometry to one C(17,18) and one C(6) atom. The S(2)-C(17,18) bond length is 1.81 Å. There are two inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Cd(1) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Cd(1) atom. Linkers: 2 [c]1ccncc1-c1ccnc(SCCSc2nccc(-c3cccnc3)n2)n1 ,2 c1cncc(-c2ccnc(SCCSc3nccc(-c4cccnc4)n3)n2)c1. Metal clusters: 2 I[Cd]I. The MOF has largest included sphere 2.29 A, density 2.08 g/cm3, surface area 3616.88 m2/g, accessible volume 0.13 cm3/g