CuC3N7H4 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded to one N(1), one N(5), one N(7), and two equivalent N(2) atoms to form edge-sharing CuN5 square pyramids. The Cu(1)-N(1) bond length is 2.06 Å. The Cu(1)-N(5) bond length is 1.99 Å. The Cu(1)-N(7) bond length is 2.19 Å. There is one shorter (2.03 Å) and one longer (2.09 Å) Cu(1)-N(2) bond length. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one N(1) atom. The C(1)-C(1) bond length is 1.42 Å. The C(1)-C(3) bond length is 1.49 Å. The C(1)-N(1) bond length is 1.35 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(2)-C(2) bond length is 1.38 Å. The C(2)-N(1) bond length is 1.35 Å. The C(2)-H(1) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one H(2), one H(3), and one H(4) atom. The C(3)-H(2) bond length is 1.09 Å. The C(3)-H(3) bond length is 1.10 Å. The C(3)-H(4) bond length is 1.10 Å. There are seven 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(2) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one N(3) atom. The N(2)-N(3) bond length is 1.22 Å. In the third N site, N(3) is bonded in a linear geometry to one N(2) and one N(4) atom. The N(3)-N(4) bond length is 1.16 Å. In the fourth N site, N(4) is bonded in a single-bond geometry to one N(3) atom. In the fifth N site, N(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one N(6) atom. The N(5)-N(6) bond length is 1.19 Å. In the sixth N site, N(6) is bonded in a linear geometry to one N(5) and one N(7) atom. The N(6)-N(7) bond length is 1.18 Å. In the seventh N site, N(7) is bonded in a bent 120 degrees geometry to one Cu(1) and one N(6) atom. There are four 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(3) 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(3) atom. Linkers: 2 Cc1nccnc1C. Metal clusters: 4 [Cu]. The MOF has largest included sphere 1.58 A, density 2.11 g/cm3, surface area 3849.21 m2/g, accessible volume 0.08 cm3/g