ZnC9H6(N2S)2C3H2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one 2,3-dimethyl-1,3-butadiene molecule and one ZnC9H6(N2S)2 cluster. In the ZnC9H6(N2S)2 cluster, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Zn(1)-N(1) bond length is 2.04 Å. The Zn(1)-N(2) bond length is 2.04 Å. The Zn(1)-N(3) bond length is 1.92 Å. The Zn(1)-N(4) bond length is 1.92 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar 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 second C site, C(2) is bonded in a distorted trigonal planar geometry to one N(2) and one H(2) atom. The C(2)-N(2) bond length is 1.35 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(4) is bonded in a distorted single-bond geometry to one C(6) and one H(4) atom. The C(4)-C(6) bond length is 1.40 Å. The C(4)-H(4) bond length is 1.09 Å. In the fourth C site, C(6) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(6)-C(6) bond length is 1.48 Å. The C(6)-C(8) bond length is 1.41 Å. In the fifth C site, C(8) is bonded in a distorted single-bond geometry to one C(10), one C(6), and one H(6) atom. The C(8)-C(10) bond length is 1.39 Å. The C(8)-H(6) bond length is 1.09 Å. In the sixth C site, C(9) is bonded in a distorted trigonal planar geometry to one N(1) and one H(7) atom. The C(9)-N(1) bond length is 1.35 Å. The C(9)-H(7) bond length is 1.09 Å. In the seventh C site, C(10) is bonded in a distorted trigonal planar geometry to one C(8), one N(2), and one H(8) atom. The C(10)-N(2) bond length is 1.35 Å. The C(10)-H(8) bond length is 1.09 Å. In the eighth C site, C(11) is bonded in a distorted single-bond geometry to one N(3) and one S(1) atom. The C(11)-N(3) bond length is 1.19 Å. The C(11)-S(1) bond length is 1.60 Å. In the ninth C site, C(12) is bonded in a distorted single-bond geometry to one N(4) and one S(2) atom. The C(12)-N(4) bond length is 1.19 Å. The C(12)-S(2) bond length is 1.60 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(9) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one C(10), and one C(2) atom. In the third N site, N(3) is bonded in a linear geometry to one Zn(1) and one C(11) atom. In the fourth N site, N(4) is bonded in a linear geometry to one Zn(1) and one C(12) atom. There are six 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(4) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one C(11) atom. In the second S site, S(2) is bonded in a single-bond geometry to one C(12) atom. Linkers: 2 c1cc(-c2ccncc2)ccn1. Metal clusters: 2 [Zn]. The MOF has largest included sphere 3.18 A, density 1.60 g/cm3, surface area 4624.60 m2/g, accessible volume 0.14 cm3/g