Cu3C13H9S3(N2Cl)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one C(1), one N(1), one N(2), one N(3), and one Cl(1) atom to form corner-sharing CuCN3Cl trigonal bipyramids. The Cu(1)-C(1) bond length is 2.07 Å. The Cu(1)-N(1) bond length is 2.06 Å. The Cu(1)-N(2) bond length is 2.05 Å. The Cu(1)-N(3) bond length is 2.14 Å. The Cu(1)-Cl(1) bond length is 2.37 Å. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one N(4), one N(6), and two equivalent Cl(2) atoms. The Cu(2)-N(4) bond length is 1.99 Å. The Cu(2)-N(6) bond length is 1.96 Å. There is one shorter (2.40 Å) and one longer (2.41 Å) Cu(2)-Cl(2) bond length. In the third Cu site, Cu(3) is bonded to one N(5), one Cl(1), and two equivalent Cl(3) atoms to form distorted CuNCl3 tetrahedra that share  a cornercorner with one Cu(1)CN3Cl trigonal bipyramid and  an edgeedge with one Cu(3)NCl3 tetrahedra. The Cu(3)-N(5) bond length is 1.98 Å. The Cu(3)-Cl(1) bond length is 2.29 Å. There is one shorter (2.29 Å) and one longer (2.49 Å) Cu(3)-Cl(3) bond length. There are thirteen inequivalent C sites. In the first C site, C(1) is bonded in a tetrahedral geometry to one Cu(1), one S(1), one S(2), and one S(3) atom. The C(1)-S(1) bond length is 1.79 Å. The C(1)-S(2) bond length is 1.79 Å. The C(1)-S(3) bond length is 1.80 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(4), and one S(1) atom. The C(2)-N(1) bond length is 1.35 Å. The C(2)-N(4) bond length is 1.35 Å. The C(2)-S(1) bond length is 1.74 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one H(1) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-N(1) bond length is 1.35 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(2) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(4), and one H(3) atom. The C(5)-N(4) bond length is 1.35 Å. The C(5)-H(3) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one N(2), one N(5), and one S(2) atom. The C(6)-N(2) bond length is 1.35 Å. The C(6)-N(5) bond length is 1.35 Å. The C(6)-S(2) bond length is 1.75 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(8), one N(2), and one H(4) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-N(2) bond length is 1.35 Å. The C(7)-H(4) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7) and one H(5) atom. The C(8)-H(5) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(6) atom. The C(9)-N(5) bond length is 1.35 Å. The C(9)-H(6) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one N(3), one N(6), and one S(3) atom. The C(10)-N(3) bond length is 1.34 Å. The C(10)-N(6) bond length is 1.35 Å. The C(10)-S(3) bond length is 1.74 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(12), one N(3), and one H(7) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-N(3) bond length is 1.34 Å. The C(11)-H(7) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one C(13), and one H(8) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-H(8) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(12), one N(6), and one H(9) atom. The C(13)-N(6) bond length is 1.35 Å. The C(13)-H(9) bond length is 1.09 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(2), and one C(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(6), and one C(7) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(10), and one C(11) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(2), one C(2), and one C(5) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(3), one C(6), and one C(9) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cu(2), one C(10), and one C(13) atom. There are nine inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(13) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one C(1) and one C(2) atom. In the second S site, S(2) is bonded in a water-like geometry to one C(1) and one C(6) atom. In the third S site, S(3) is bonded in a distorted water-like geometry to one C(1) and one C(10) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Cu(3) atom. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to two equivalent Cu(2) atoms. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to two equivalent Cu(3) atoms. Linkers: 2 c1cnc(S[C](Sc2ncccn2)Sc2ncccn2)nc1. Metal clusters: 1 Cl[Cu]Cl.Cl[Cu]Cl.[Cu].[Cu] ,1 Cl[Cu].Cl[Cu]. The MOF has largest included sphere 3.14 A, density 2.01 g/cm3, surface area 3235.55 m2/g, accessible volume 0.14 cm3/g