CuH8(C2N)4CuC18H12(NS)4CuC16H12(NS)2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one CuC16H12(NS)2 cluster, one CuC18H12(NS)4 cluster, and one CuH8(C2N)4 cluster. In the CuC16H12(NS)2 cluster, Cu(3) is bonded in a linear geometry to two equivalent N(4) atoms. Both Cu(3)-N(4) bond lengths are 2.03 Å. There are eight inequivalent C sites. In the first C site, C(12) is bonded in a distorted single-bond geometry to one C(13) and one H(10) atom. The C(12)-C(13) bond length is 1.38 Å. The C(12)-H(10) bond length is 0.95 Å. In the second C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one S(2) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-S(2) bond length is 1.76 Å. In the third C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(11) atom. The C(14)-H(11) bond length is 0.95 Å. In the fourth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(17), one N(4), and one H(13) atom. The C(16)-C(17) bond length is 1.39 Å. The C(16)-N(4) bond length is 1.34 Å. The C(16)-H(13) bond length is 0.95 Å. In the fifth C site, C(17) is bonded in a distorted single-bond geometry to one C(16), one C(18), and one H(14) atom. The C(17)-C(18) bond length is 1.38 Å. The C(17)-H(14) bond length is 0.95 Å. In the sixth C site, C(18) is bonded in a trigonal planar geometry to one C(17), one C(19), and one S(2) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-S(2) bond length is 1.77 Å. In the seventh C site, C(19) is bonded in a distorted single-bond geometry to one C(18), one C(20), and one H(15) atom. The C(19)-C(20) bond length is 1.37 Å. The C(19)-H(15) bond length is 0.95 Å. In the eighth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(19), one N(4), and one H(16) atom. The C(20)-N(4) bond length is 1.35 Å. The C(20)-H(16) bond length is 0.95 Å. N(4) is bonded in a trigonal planar geometry to one Cu(3), one C(16), and one C(20) atom. There are six inequivalent H sites. In the first H site, H(10) is bonded in a single-bond geometry to one C(12) atom. In the second H site, H(11) is bonded in a single-bond geometry to one C(14) atom. In the third H site, H(13) is bonded in a single-bond geometry to one C(16) atom. In the fourth H site, H(14) is bonded in a single-bond geometry to one C(17) atom. In the fifth H site, H(15) is bonded in a single-bond geometry to one C(19) atom. In the sixth H site, H(16) is bonded in a single-bond geometry to one C(20) atom. S(2) is bonded in a water-like geometry to one C(13) and one C(18) atom. In the CuC18H12(NS)4 cluster, Cu(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(5) atoms. Both Cu(1)-N(1) bond lengths are 2.06 Å. Both Cu(1)-N(5) bond lengths are 1.96 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.38 Å. The C(1)-N(1) bond length is 1.33 Å. The C(1)-H(1) bond length is 0.95 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(2) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(2) bond length is 0.95 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one S(1) atom. The C(3)-C(4) bond length is 1.36 Å. The C(3)-S(1) bond length is 1.78 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(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 0.95 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one H(4) atom. The C(5)-N(1) bond length is 1.33 Å. The C(5)-H(4) bond length is 0.95 Å. In the sixth C site, C(7) is bonded in a distorted single-bond geometry to one C(8) and one H(6) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-H(6) bond length is 0.95 Å. In the seventh C site, C(8) is bonded in a trigonal planar geometry to one C(7), one C(9), and one S(1) atom. The C(8)-C(9) bond length is 1.38 Å. The C(8)-S(1) bond length is 1.76 Å. In the eighth C site, C(9) is bonded in a distorted single-bond geometry to one C(8) and one H(7) atom. The C(9)-H(7) bond length is 0.95 Å. In the ninth C site, C(21) is bonded in a distorted single-bond geometry to one N(5) and one S(3) atom. The C(21)-N(5) bond length is 1.15 Å. The C(21)-S(3) bond length is 1.61 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(5) atom. In the second N site, N(5) is bonded in a linear geometry to one Cu(1) and one C(21) 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(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(9) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one C(3) and one C(8) atom. In the second S site, S(3) is bonded in a single-bond geometry to one C(21) atom. In the CuH8(C2N)4 cluster, Cu(2) is bonded in a square co-planar geometry to two equivalent N(2) and two equivalent N(3) atoms. Both Cu(2)-N(2) bond lengths are 2.03 Å. Both Cu(2)-N(3) bond lengths are 2.05 Å. There are four inequivalent C sites. In the first C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(5) atom. The C(6)-N(2) bond length is 1.34 Å. The C(6)-H(5) bond length is 0.95 Å. In the second C site, C(10) is bonded in a distorted bent 120 degrees geometry to 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 0.95 Å. In the third C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(9) atom. The C(11)-N(3) bond length is 1.35 Å. The C(11)-H(9) bond length is 0.95 Å. In the fourth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(12) atom. The C(15)-N(3) bond length is 1.34 Å. The C(15)-H(12) bond length is 0.95 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(10), and one C(6) atom. In the second N site, N(3) is bonded in a trigonal planar geometry to one Cu(2), one C(11), and one C(15) atom. There are four inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the second H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the third H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the fourth H site, H(12) is bonded in a single-bond geometry to one C(15) atom. Linkers: 1 S=C=N[Cu].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]#N.[C]#N.[C]C(=[CH])[S].[C]N([CH])[Cu].[C]N=[C].[C][C]N(/C=C\[C])[Cu@@]([N])(N([C])[CH])N1[CH]C=C(Sc2ccncc2)C=C1.[C][C]S[C].[C][S].[Cu].[Cu].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[S].[S].[S].[S].[S].[S] ,1 [CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]=[C][S].[CH]C(=[CH])[S].[CH]C(=[CH])[S].[CH]N([CH])[Cu].[CH]N=[Cu]([N])([N])[N].[CH][N].[CH][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]#N.[C]#N.[C]=[CH].[C]N=[CH].[C][C].[C][C]S[C].[C][C][S].[C][N][Cu][N][C].[Cu].[Cu].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N][Cu].[S].[S].[S].[S].[S].[S].[S].[S].[S].[S].[S] ,1 [CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]=C[C][S].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]#N.[C]#N.[C]=[C][S].[C]S[C]=[C].[C][CH].[Cu].[Cu].[Cu].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[N][Cu](N=C=S)N=C=S.[S].[S].[S].c1cc(Sc2ccncc2)ccn1.c1cc(Sc2ccncc2)ccn1. Metal clusters: 1 [Cu]. The MOF has largest included sphere 5.14 A, density 1.08 g/cm3, surface area 4973.97 m2/g, accessible volume 0.46 cm3/g