CuC16H16(N5O2)2 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four CuC16H16(N5O2)2 clusters. Cu(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent O(2) atoms. Both Cu(1)-N(1) bond lengths are 1.97 Å. Both Cu(1)-O(2) bond lengths are 1.99 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 O(1) and one O(2) atom. The C(1)-O(1) bond length is 1.25 Å. The C(1)-O(2) bond length is 1.29 Å. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one H(1), and one H(2) atom. The C(2)-N(3) bond length is 1.45 Å. The C(2)-H(1) bond length is 1.09 Å. The C(2)-H(2) bond length is 1.10 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(3), and one H(3) atom. The C(3)-C(4) bond length is 1.38 Å. The C(3)-N(3) bond length is 1.35 Å. The C(3)-H(3) bond length is 1.08 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 N(5) atom. The C(4)-C(5) bond length is 1.49 Å. The C(4)-N(5) bond length is 1.37 Å. In the fifth C site, C(5) is bonded in a distorted trigonal non-coplanar geometry to one C(4), one N(2), one H(4), and one H(5) atom. The C(5)-N(2) bond length is 1.47 Å. The C(5)-H(4) bond length is 1.10 Å. The C(5)-H(5) bond length is 1.10 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(2), and one H(6) atom. The C(6)-C(7) bond length is 1.37 Å. The C(6)-N(2) bond length is 1.38 Å. The C(6)-H(6) bond length is 1.08 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(6), one N(1), and one H(7) atom. The C(7)-N(1) bond length is 1.38 Å. The C(7)-H(7) bond length is 1.08 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(8) atom. The C(8)-N(1) bond length is 1.33 Å. The C(8)-N(2) bond length is 1.35 Å. The C(8)-H(8) bond length is 1.09 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(7), and one C(8) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(5), one C(6), and one C(8) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(3), and one N(4) atom. The N(3)-N(4) bond length is 1.36 Å. In the fourth N site, N(4) is bonded in a water-like geometry to one N(3) and one N(5) atom. The N(4)-N(5) bond length is 1.31 Å. In the fifth N site, N(5) is bonded in a distorted single-bond geometry to one C(4) and one N(4) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) 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(3) 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(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(8) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. Linkers: 1 [O]C(=O)Cn1cc(CN2[CH]N([Cu](OC(=O)Cn3cc(Cn4ccnc4)nn3)(OC(=O)Cn3cc(Cn4ccnc4)nn3)N3[CH]N(Cc4cn(CC([O])=O)nn4)C=C3)C=C2)nn1. Metal clusters: 1 O=[C]O[Cu]O[C]=O. The MOF has largest included sphere 5.63 A, density 1.22 g/cm3, surface area 4617.14 m2/g, accessible volume 0.41 cm3/g