CuC4H2(NS)2 crystallizes in the monoclinic P2/m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent S(1) and two equivalent S(2) atoms. Both Cu(1)-S(1) bond lengths are 2.26 Å. Both Cu(1)-S(2) bond lengths are 2.21 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent S(3) atoms. All Cu(2)-S(3) bond lengths are 2.20 Å. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one N(1), one N(2), two equivalent N(3), and one S(1) atom. The Cu(3)-N(1) bond length is 2.57 Å. The Cu(3)-N(2) bond length is 2.14 Å. Both Cu(3)-N(3) bond lengths are 1.99 Å. The Cu(3)-S(1) bond length is 2.57 Å. There are six inequivalent C sites. In the first 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 1.74 Å. In the second 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 1.34 Å. The C(2)-S(2) bond length is 1.73 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one N(3) and one S(3) atom. The C(3)-N(3) bond length is 1.34 Å. The C(3)-S(3) bond length is 1.72 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(4)-N(1) bond length is 1.34 Å. The C(4)-H(1) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(2) atom. The C(5)-N(2) bond length is 1.35 Å. The C(5)-H(2) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(3) atom. The C(6)-N(3) bond length is 1.36 Å. The C(6)-H(3) bond length is 1.09 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cu(3), one C(1), and one C(4) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(3), one C(2), and one C(5) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(3), one C(3), and one C(6) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) atom. There are three inequivalent S sites. In the first S site, S(3) is bonded in a water-like geometry to one Cu(2) and one C(3) atom. In the second S site, S(1) is bonded in a T-shaped geometry to one Cu(1), one Cu(3), and one C(1) atom. In the third S site, S(2) is bonded in a distorted water-like geometry to one Cu(1) and one C(2) atom. Linkers: 2 S=C1N=CC=NC1=S. Metal clusters: 4 [Cu]. The MOF has largest included sphere 4.49 A, density 1.83 g/cm3, surface area 2967.95 m2/g, accessible volume 0.15 cm3/g