ZnC21H20(NS)2C3H2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 2,3-dimethyl-1,3-butadiene molecules and two ZnC21H20(NS)2 clusters. In each ZnC21H20(NS)2 cluster, Zn(1) is bonded in a distorted tetrahedral geometry to one N(1), one N(3), one S(1), and one S(3) atom. The Zn(1)-N(1) bond length is 2.09 Å. The Zn(1)-N(3) bond length is 2.10 Å. The Zn(1)-S(1) bond length is 2.27 Å. The Zn(1)-S(3) bond length is 2.27 Å. There are twenty-one inequivalent C sites. In the first C site, C(19) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(15,16) atom. The C(19)-N(3) bond length is 1.35 Å. The C(19)-H(15,16) bond length is 1.09 Å. In the second C site, C(21) is bonded in a trigonal planar geometry to one C(23), one C(31), and one S(1) atom. The C(21)-C(23) bond length is 1.41 Å. The C(21)-C(31) bond length is 1.41 Å. The C(21)-S(1) bond length is 1.76 Å. In the third C site, C(23) is bonded in a distorted single-bond geometry to one C(21) and one H(17,18) atom. The C(23)-H(17,18) bond length is 1.09 Å. In the fourth C site, C(25,26) is bonded in a distorted single-bond geometry to one C(27) and one H(19,20) atom. The C(25,26)-C(27) bond length is 1.40 Å. The C(25,26)-H(19,20) bond length is 1.09 Å. In the fifth C site, C(27) is bonded in a trigonal planar geometry to one C(25,26); one C(29,30); and one C(33,34) atom. The C(27)-C(29,30) bond length is 1.40 Å. The C(27)-C(33,34) bond length is 1.50 Å. In the sixth C site, C(29,30) is bonded in a distorted trigonal planar geometry to one C(27), one C(31), and one H(21) atom. The C(29,30)-C(31) bond length is 1.40 Å. The C(29,30)-H(21) bond length is 1.09 Å. In the seventh C site, C(31) is bonded in a distorted single-bond geometry to one C(21); one C(29,30); and one H(23,24) atom. The C(31)-H(23,24) bond length is 1.09 Å. In the eighth C site, C(33,34) is bonded in a distorted trigonal non-coplanar geometry to one C(27); one H(25,26); one H(27,28); and one H(29,30) atom. The C(33,34)-H(25,26) bond length is 1.10 Å. The C(33,34)-H(27,28) bond length is 1.10 Å. The C(33,34)-H(29,30) bond length is 1.10 Å. In the ninth C site, C(35) is bonded in a trigonal planar geometry to one C(37,38); one C(45,46); and one S(3) atom. The C(35)-C(37,38) bond length is 1.41 Å. The C(35)-C(45,46) bond length is 1.41 Å. The C(35)-S(3) bond length is 1.77 Å. In the tenth C site, C(37,38) is bonded in a distorted single-bond geometry to one C(35); one C(39); and one H(31,32) atom. The C(37,38)-C(39) bond length is 1.39 Å. The C(37,38)-H(31,32) bond length is 1.09 Å. In the eleventh C site, C(39) is bonded in a distorted trigonal planar geometry to one C(37,38); one C(41,42); and one H(33,34) atom. The C(39)-C(41,42) bond length is 1.41 Å. The C(39)-H(33,34) bond length is 1.09 Å. In the twelfth C site, C(41,42) is bonded in a trigonal planar geometry to one C(39), one C(43), and one C(47) atom. The C(41,42)-C(43) bond length is 1.40 Å. The C(41,42)-C(47) bond length is 1.50 Å. In the thirteenth C site, C(43) is bonded in a distorted trigonal planar geometry to one C(41,42); one C(45,46); and one H(35,36) atom. The C(43)-C(45,46) bond length is 1.40 Å. The C(43)-H(35,36) bond length is 1.09 Å. In the fourteenth C site, C(45,46) is bonded in a distorted single-bond geometry to one C(35), one C(43), and one H(37) atom. The C(45,46)-H(37) bond length is 1.09 Å. In the fifteenth C site, C(47) is bonded in a distorted trigonal non-coplanar geometry to one C(41,42); one H(39,40); one H(41,42); and one H(43,44) atom. The C(47)-H(39,40) bond length is 1.10 Å. The C(47)-H(41,42) bond length is 1.10 Å. The C(47)-H(43,44) bond length is 1.10 Å. In the sixteenth C site, C(1) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(1) atom. The C(1)-C(3) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the seventeenth C site, C(3) is bonded in a distorted single-bond geometry to one C(1); one C(5); and one H(3,4) atom. The C(3)-C(5) bond length is 1.40 Å. The C(3)-H(3,4) bond length is 1.09 Å. In the eighteenth C site, C(5) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(7) atom. The C(5)-C(5) bond length is 1.48 Å. The C(5)-C(7) bond length is 1.41 Å. In the nineteenth C site, C(7) is bonded in a distorted single-bond geometry to one C(5); one C(9); and one H(5,6) atom. The C(7)-C(9) bond length is 1.39 Å. The C(7)-H(5,6) bond length is 1.09 Å. In the twentieth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(7), 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 twenty-first C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(9,10) atom. The C(11)-N(3) bond length is 1.35 Å. The C(11)-H(9,10) bond length is 1.09 Å. There are two 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(3) is bonded in a trigonal planar geometry to one Zn(1), one C(11), and one C(19) atom. There are twenty 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(3,4) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(5,6) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(9,10) is bonded in a single-bond geometry to one C(11) atom. In the sixth H site, H(15,16) is bonded in a single-bond geometry to one C(19) atom. In the seventh H site, H(17,18) is bonded in a single-bond geometry to one C(23) atom. In the eighth H site, H(19,20) is bonded in a single-bond geometry to one C(25,26) atom. In the ninth H site, H(21) is bonded in a single-bond geometry to one C(29,30) atom. In the tenth H site, H(23,24) is bonded in a single-bond geometry to one C(31) atom. In the eleventh H site, H(25,26) is bonded in a single-bond geometry to one C(33,34) atom. In the twelfth H site, H(27,28) is bonded in a single-bond geometry to one C(33,34) atom. In the thirteenth H site, H(29,30) is bonded in a single-bond geometry to one C(33,34) atom. In the fourteenth H site, H(31,32) is bonded in a single-bond geometry to one C(37,38) atom. In the fifteenth H site, H(33,34) is bonded in a single-bond geometry to one C(39) atom. In the sixteenth H site, H(35,36) is bonded in a single-bond geometry to one C(43) atom. In the seventeenth H site, H(37) is bonded in a single-bond geometry to one C(45,46) atom. In the eighteenth H site, H(39,40) is bonded in a single-bond geometry to one C(47) atom. In the nineteenth H site, H(41,42) is bonded in a single-bond geometry to one C(47) atom. In the twentieth H site, H(43,44) is bonded in a single-bond geometry to one C(47) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Zn(1) and one C(21) atom. In the second S site, S(3) is bonded in a water-like geometry to one Zn(1) and one C(35) atom. Linkers: 4 c1cc(-c2ccncc2)ccn1. Metal clusters: 4 [Zn]. The MOF has largest included sphere 5.75 A, density 1.17 g/cm3, surface area 5413.87 m2/g, accessible volume 0.37 cm3/g