CuCN7H crystallizes in the orthorhombic P2_12_12_1 space group. Cu(1) is bonded to one N(1), one N(3), one N(4), and two equivalent N(2) atoms to form corner-sharing CuN5 square pyramids. The Cu(1)-N(1) bond length is 2.19 Å. The Cu(1)-N(3) bond length is 1.98 Å. The Cu(1)-N(4) bond length is 1.98 Å. There is one shorter (2.03 Å) and one longer (2.04 Å) Cu(1)-N(2) bond length. C(1) is bonded in a trigonal planar geometry to one N(1), one N(4), and one H(1) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-N(4) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.08 Å. There are seven inequivalent N sites. In the first N site, N(6) is bonded in a linear geometry to one N(2) and one N(7) atom. The N(6)-N(2) bond length is 1.22 Å. The N(6)-N(7) bond length is 1.16 Å. In the second N site, N(7) is bonded in a single-bond geometry to one N(6) atom. In the third N site, N(1) is bonded in a 3-coordinate geometry to one Cu(1), one C(1), and one N(5) atom. The N(1)-N(5) bond length is 1.34 Å. In the fourth N site, N(2) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one N(6) atom. In the fifth N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one N(4), and one N(5) atom. The N(3)-N(4) bond length is 1.34 Å. The N(3)-N(5) bond length is 1.31 Å. In the sixth N site, N(4) is bonded in a 3-coordinate geometry to one Cu(1), one C(1), and one N(3) atom. In the seventh N site, N(5) is bonded in a water-like geometry to one N(1) and one N(3) atom. H(1) is bonded in a single-bond geometry to one C(1) atom. Linkers: 4 C1=NN=N[N]1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 1.81 A, density 2.37 g/cm3, surface area 3309.89 m2/g, accessible volume 0.11 cm3/g