CuC8H6(NO)2C16N3H6 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight C16N3H6 clusters and four CuC8H6(NO)2 clusters. In each C16N3H6 cluster, there are sixteen inequivalent C sites. In the first C site, C(4) is bonded in a single-bond geometry to one C(5) and one H(2) atom. The C(4)-C(5) bond length is 1.38 Å. The C(4)-H(2) bond length is 0.95 Å. In the second C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-C(8) bond length is 1.49 Å. In the third C site, C(6) is bonded in a distorted single-bond geometry to one C(5) and one H(3) atom. The C(6)-H(3) bond length is 0.95 Å. In the fourth C site, C(8) is bonded in a trigonal planar geometry to one C(12), one C(5), and one C(9) atom. The C(8)-C(12) bond length is 1.38 Å. The C(8)-C(9) bond length is 1.39 Å. In the fifth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(8) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-C(14) bond length is 1.45 Å. In the sixth C site, C(10) is bonded in a distorted single-bond geometry to one C(15), one C(9), and one N(1) atom. The C(10)-C(15) bond length is 1.51 Å. The C(10)-N(1) bond length is 1.33 Å. In the seventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(12), one C(20), and one N(1) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-C(20) bond length is 1.49 Å. The C(11)-N(1) bond length is 1.34 Å. In the eighth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(8) atom. The C(12)-C(13) bond length is 1.45 Å. In the ninth C site, C(13) is bonded in a distorted single-bond geometry to one C(12) and one N(2) atom. The C(13)-N(2) bond length is 1.14 Å. In the tenth C site, C(14) is bonded in a distorted linear geometry to one C(9) and one N(3) atom. The C(14)-N(3) bond length is 1.14 Å. In the eleventh C site, C(15) is bonded in a trigonal planar geometry to one C(10), one C(16), and one C(19) atom. The C(15)-C(16) bond length is 1.38 Å. The C(15)-C(19) bond length is 1.37 Å. In the twelfth C site, C(16) is bonded in a distorted single-bond geometry to one C(15) and one H(5) atom. The C(16)-H(5) bond length is 0.95 Å. In the thirteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(15) and one H(8) atom. The C(19)-H(8) bond length is 0.95 Å. In the fourteenth C site, C(20) is bonded in a trigonal planar geometry to one C(11), one C(21), and one C(24) atom. The C(20)-C(21) bond length is 1.37 Å. The C(20)-C(24) bond length is 1.39 Å. In the fifteenth C site, C(21) is bonded in a distorted single-bond geometry to one C(20) and one H(9) atom. The C(21)-H(9) bond length is 0.95 Å. In the sixteenth C site, C(24) is bonded in a distorted single-bond geometry to one C(20) and one H(12) atom. The C(24)-H(12) bond length is 0.95 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(10) and one C(11) atom. In the second N site, N(2) is bonded in a single-bond geometry to one C(13) atom. In the third N site, N(3) is bonded in a single-bond geometry to one C(14) atom. There are six inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(16) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one C(19) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(21) atom. In the sixth H site, H(12) is bonded in a single-bond geometry to one C(24) atom. In each CuC8H6(NO)2 cluster, Cu(1) is bonded in a see-saw-like geometry to one N(4), one N(5), one O(1), and one O(2) atom. The Cu(1)-N(4) bond length is 2.01 Å. The Cu(1)-N(5) bond length is 2.00 Å. The Cu(1)-O(1) bond length is 1.97 Å. The Cu(1)-O(2) bond length is 2.20 Å. There are eight 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 1.51 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.23 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(7) bond length is 1.37 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(1) atom. The C(3)-H(1) bond length is 0.95 Å. In the fourth C site, C(7) is bonded in a distorted single-bond geometry to one C(2) and one H(4) atom. The C(7)-H(4) bond length is 0.95 Å. In the fifth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(6) atom. The C(17)-N(4) bond length is 1.36 Å. The C(17)-H(6) bond length is 0.95 Å. In the sixth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(7) atom. The C(18)-N(4) bond length is 1.34 Å. The C(18)-H(7) bond length is 0.95 Å. In the seventh C site, C(22) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(10) atom. The C(22)-N(5) bond length is 1.31 Å. The C(22)-H(10) bond length is 0.95 Å. In the eighth C site, C(23) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(11) atom. The C(23)-N(5) bond length is 1.33 Å. The C(23)-H(11) bond length is 0.95 Å. There are two inequivalent N sites. In the first N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(17), and one C(18) atom. In the second N site, N(5) is bonded in a trigonal planar geometry to one Cu(1), one C(22), and one C(23) atom. There are six 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(4) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(6) is bonded in a single-bond geometry to one C(17) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(18) atom. In the fifth H site, H(10) is bonded in a single-bond geometry to one C(22) atom. In the sixth H site, H(11) is bonded in a single-bond geometry to one C(23) atom. There are two 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 distorted bent 150 degrees geometry to one Cu(1) and one C(1) atom. Linkers: 4 N#Cc1c(-c2ccncc2)nc(-c2ccncc2)c(C#N)c1-c1ccc(C([O])=O)cc1. Metal clusters: 2 [C]1O[Cu]O[C]O[Cu]O1. The MOF has largest included sphere 5.39 A, density 1.06 g/cm3, surface area 4514.61 m2/g, accessible volume 0.54 cm3/g