CuC18H10S2(NO)4 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twelve CuC18H10S2(NO)4 clusters. In four of the CuC18H10S2(NO)4 clusters, Cu(2) is bonded in a distorted octahedral geometry to two equivalent N(2), two equivalent N(5), and two equivalent O(5) atoms. Both Cu(2)-N(2) bond lengths are 2.15 Å. Both Cu(2)-N(5) bond lengths are 2.31 Å. Both Cu(2)-O(5) bond lengths are 1.94 Å. There are nine inequivalent C sites. In the first C site, C(7) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(3,4) atom. The C(7)-N(2) bond length is 1.33 Å. The C(7)-H(3,4) bond length is 0.95 Å. In the second C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(3,4) atom. The C(8)-N(2) bond length is 1.34 Å. The C(8)-H(3,4) bond length is 0.95 Å. In the third C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(20), one O(5), and one O(6) atom. The C(19)-C(20) bond length is 1.50 Å. The C(19)-O(5) bond length is 1.28 Å. The C(19)-O(6) bond length is 1.24 Å. In the fourth C site, C(20) is bonded in a distorted single-bond geometry to one C(19), one C(21), and one N(5) atom. The C(20)-C(21) bond length is 1.35 Å. The C(20)-N(5) bond length is 1.38 Å. In the fifth C site, C(21) is bonded in a distorted single-bond geometry to one C(20), one H(11), and one S(3) atom. The C(21)-H(11) bond length is 0.95 Å. The C(21)-S(3) bond length is 1.70 Å. In the sixth C site, C(22) is bonded in a distorted single-bond geometry to one C(23), one N(5), and one S(3) atom. The C(22)-C(23) bond length is 1.47 Å. The C(22)-N(5) bond length is 1.31 Å. The C(22)-S(3) bond length is 1.73 Å. In the seventh C site, C(23) is bonded in a trigonal planar geometry to one C(22), one C(24), and one C(27) atom. The C(23)-C(24) bond length is 1.39 Å. The C(23)-C(27) bond length is 1.39 Å. In the eighth C site, C(24) is bonded in a distorted single-bond geometry to one C(23) and one H(12,15) atom. The C(24)-H(12,15) bond length is 0.95 Å. In the ninth C site, C(27) is bonded in a distorted single-bond geometry to one C(23) and one H(12,15) atom. The C(27)-H(12,15) bond length is 0.95 Å. There are two inequivalent N sites. In the first N site, N(5) is bonded in a 3-coordinate geometry to one Cu(2), one C(20), and one C(22) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(7), and one C(8) atom. There are three inequivalent H sites. In the first H site, H(3,4) is bonded in a single-bond geometry to one C(7) atom. In the second H site, H(12,15) is bonded in a single-bond geometry to one C(24) atom. In the third H site, H(11) is bonded in a single-bond geometry to one C(21) atom. S(3) is bonded in an L-shaped geometry to one C(21) and one C(22) atom. There are two inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(19) atom. In the second O site, O(6) is bonded in a single-bond geometry to one C(19) atom. In eight of the CuC18H10S2(NO)4 clusters, Cu(1) is bonded in a 5-coordinate geometry to one N(3), one N(4), one N(6), one O(1), and one O(3) atom. The Cu(1)-N(3) bond length is 2.07 Å. The Cu(1)-N(4) bond length is 2.02 Å. The Cu(1)-N(6) bond length is 2.26 Å. The Cu(1)-O(1) bond length is 1.96 Å. The Cu(1)-O(3) bond length is 1.97 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.26 Å. The C(1)-O(2) bond length is 1.23 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one N(1) atom. The C(2)-C(3) bond length is 1.35 Å. The C(2)-N(1) bond length is 1.38 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one H(1), and one S(1) atom. The C(3)-H(1) bond length is 0.95 Å. The C(3)-S(1) bond length is 1.70 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(5), one N(1), and one S(1) atom. The C(4)-C(5) bond length is 1.47 Å. The C(4)-N(1) bond length is 1.29 Å. The C(4)-S(1) bond length is 1.74 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(9) atom. The C(5)-C(6) bond length is 1.38 Å. The C(5)-C(9) bond length is 1.40 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5) and one H(2) atom. The C(6)-H(2) bond length is 0.95 Å. In the seventh C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(3), and one O(4) atom. The C(10)-C(11) bond length is 1.49 Å. The C(10)-O(3) bond length is 1.28 Å. The C(10)-O(4) bond length is 1.23 Å. In the eighth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one C(12), and one N(3) atom. The C(11)-C(12) bond length is 1.35 Å. The C(11)-N(3) bond length is 1.38 Å. In the ninth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one H(6), and one S(2) atom. The C(12)-H(6) bond length is 0.95 Å. The C(12)-S(2) bond length is 1.70 Å. In the tenth C site, C(13) is bonded in a distorted single-bond geometry to one C(14), one N(3), and one S(2) atom. The C(13)-C(14) bond length is 1.47 Å. The C(13)-N(3) bond length is 1.32 Å. The C(13)-S(2) bond length is 1.72 Å. In the eleventh C site, C(14) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(18) atom. The C(14)-C(15) bond length is 1.38 Å. The C(14)-C(18) bond length is 1.39 Å. In the twelfth C site, C(15) is bonded in a distorted single-bond geometry to one C(14) and one H(7) atom. The C(15)-H(7) bond length is 0.95 Å. In the thirteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(14) and one H(10) atom. The C(18)-H(10) bond length is 0.95 Å. In the fourteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(8) atom. The C(16)-N(4) bond length is 1.33 Å. The C(16)-H(8) bond length is 0.95 Å. In the fifteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(9) atom. The C(17)-N(4) bond length is 1.34 Å. The C(17)-H(9) bond length is 0.95 Å. In the sixteenth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(13,14) atom. The C(25)-N(6) bond length is 1.33 Å. The C(25)-H(13,14) bond length is 0.95 Å. In the seventeenth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(13,14) atom. The C(26)-N(6) bond length is 1.34 Å. The C(26)-H(13,14) bond length is 0.95 Å. In the eighteenth C site, C(9) is bonded in a distorted single-bond geometry to one C(5) and one H(5) atom. The C(9)-H(5) bond length is 0.95 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a water-like geometry to one C(2) and one C(4) atom. In the second N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(11), and one C(13) atom. In the third N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(16), and one C(17) atom. In the fourth N site, N(6) is bonded in a trigonal planar geometry to one Cu(1), one C(25), and one C(26) 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(6) is bonded in a single-bond geometry to one C(12) atom. In the third H site, H(7) is bonded in a single-bond geometry to one C(15) atom. In the fourth H site, H(10) is bonded in a single-bond geometry to one C(18) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(16) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(17) atom. In the eighth H site, H(13,14) is bonded in a single-bond geometry to one C(25) atom. In the ninth H site, H(2) is bonded in a single-bond geometry to one C(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one C(3) and one C(4) atom. In the second S site, S(2) is bonded in an L-shaped geometry to one C(12) and one C(13) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(10) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(10) atom. Linkers: 10 [O]C(=O)c1csc(-c2ccncc2)n1. Metal clusters: 6 [Cu]. The MOF has largest included sphere 5.40 A, density 1.39 g/cm3, surface area 4240.23 m2/g, accessible volume 0.30 cm3/g