CuC38H28S2(N5O2)2(C6H5NO2)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitrobenzene molecules and one CuC38H28S2(N5O2)2 cluster. In the CuC38H28S2(N5O2)2 cluster, Cu(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(4) atoms. Both Cu(1)-N(1) bond lengths are 1.98 Å. Both Cu(1)-N(2) bond lengths are 2.08 Å. Both Cu(1)-N(4) bond lengths are 2.56 Å. There are nineteen 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 1.19 Å. The C(1)-S(1) bond length is 1.61 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one C(6), and one N(3) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(6) bond length is 1.40 Å. The C(2)-N(3) bond length is 1.41 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(2), and one H(2) atom. The C(3)-N(2) bond length is 1.34 Å. The C(3)-H(2) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(5), one N(2), and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-N(2) bond length is 1.35 Å. The C(4)-H(3) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(4) atom. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(2) and one H(5) atom. The C(6)-H(5) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(3), and one O(1) atom. The C(7)-C(8) bond length is 1.49 Å. The C(7)-N(3) bond length is 1.36 Å. The C(7)-O(1) bond length is 1.25 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(10), one C(7), and one C(9) atom. The C(8)-C(10) bond length is 1.40 Å. The C(8)-C(9) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(8) and one H(6) atom. The C(9)-H(6) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(8) and one H(7) atom. The C(10)-H(7) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(12), one C(15), and one N(5) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-C(15) bond length is 1.40 Å. The C(11)-N(5) bond length is 1.40 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one N(4), and one H(9) atom. The C(12)-N(4) bond length is 1.34 Å. The C(12)-H(9) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(14), one N(4), and one H(10) atom. The C(13)-C(14) bond length is 1.40 Å. The C(13)-N(4) bond length is 1.34 Å. The C(13)-H(10) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(15), and one H(11) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-H(11) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(11), one C(14), and one H(12) atom. The C(15)-H(12) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(17), one N(5), and one O(2) atom. The C(16)-C(17) bond length is 1.49 Å. The C(16)-N(5) bond length is 1.37 Å. The C(16)-O(2) bond length is 1.25 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one C(16), one C(18), and one C(19) atom. The C(17)-C(18) bond length is 1.40 Å. The C(17)-C(19) bond length is 1.40 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(17) and one H(13) atom. The C(18)-H(13) bond length is 1.09 Å. In the nineteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(17) and one H(14) atom. The C(19)-H(14) bond length is 1.09 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one Cu(1) and one C(1) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(3), and one C(4) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(2), one C(7), and one H(1) atom. The N(3)-H(1) bond length is 1.03 Å. In the fourth N site, N(4) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one C(12), and one C(13) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(11), one C(16), and one H(8) atom. The N(5)-H(8) bond length is 1.03 Å. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) 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(5) is bonded in a single-bond geometry to one C(6) 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(10) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(5) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(12) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(13) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(14) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(15) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(18) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(19) atom. S(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(7) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(16) atom. Linkers: 1 O=C(Nc1cccnc1)c1ccc(C(=O)Nc2cccnc2)cc1 ,2 [C][CH]/C(=[NH]\C(=O)c1ccc(cc1)C(=O)Nc1cccnc1)/[CH][N]. Metal clusters: 1 [Cu]. The MOF has largest included sphere 1.90 A, density 1.57 g/cm3, surface area 4943.10 m2/g, accessible volume 0.11 cm3/g