CuC3N3H6S3Cl is Indium-like structured and crystallizes in the orthorhombic Ccce space group. The structure is zero-dimensional and consists of eight CuC3N3H6S3Cl clusters. Cu(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one Cl(1) atom. The Cu(1)-S(1) bond length is 2.23 Å. The Cu(1)-S(2) bond length is 2.23 Å. The Cu(1)-S(3) bond length is 2.26 Å. The Cu(1)-Cl(1) bond length is 2.50 Å. There are three inequivalent C sites. In the first C site, C(3) is bonded in a distorted trigonal planar geometry to one C(3), one N(3), and one S(3) atom. The C(3)-C(3) bond length is 1.50 Å. The C(3)-N(3) bond length is 1.32 Å. The C(3)-S(3) bond length is 1.68 Å. In the second C site, C(1) is bonded in a distorted single-bond geometry to one N(1) and one S(1) atom. The C(1)-N(1) bond length is 1.33 Å. The C(1)-S(1) bond length is 1.68 Å. In the third C site, C(2) is bonded in a distorted single-bond geometry to one N(2) and one S(2) atom. The C(2)-N(2) bond length is 1.33 Å. The C(2)-S(2) bond length is 1.68 Å. There are three inequivalent N sites. In the first N site, N(3) is bonded in a trigonal planar geometry to one C(3), one H(5), and one H(6) atom. The N(3)-H(5) bond length is 1.03 Å. The N(3)-H(6) bond length is 1.03 Å. In the second N site, N(1) is bonded in a trigonal planar geometry to one C(1), one H(1), and one H(2) atom. The N(1)-H(1) bond length is 1.02 Å. The N(1)-H(2) bond length is 1.03 Å. In the third N site, N(2) is bonded in a trigonal planar geometry to one C(2), one H(3), and one H(4) atom. The N(2)-H(3) bond length is 1.02 Å. The N(2)-H(4) bond length is 1.03 Å. There are six inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(4) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the fifth H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Cu(1) and one C(1) atom. In the second S site, S(2) is bonded in a water-like geometry to one Cu(1) and one C(2) atom. In the third S site, S(3) is bonded in a water-like geometry to one Cu(1) and one C(3) atom. Cl(1) is bonded in a distorted single-bond geometry to one Cu(1) atom. Linkers: 12 NC(=S)C(N)=S. Metal clusters: 8 [Cu]. RCSR code: srs. The MOF has largest included sphere 3.98 A, density 1.72 g/cm3, surface area 3800.76 m2/g, accessible volume 0.23 cm3/g