CuCN9H7 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded in a distorted octahedral geometry to two equivalent N(1), two equivalent N(3), and two equivalent N(5) atoms. Both Cu(1)-N(1) bond lengths are 2.03 Å. Both Cu(1)-N(3) bond lengths are 2.02 Å. Both Cu(1)-N(5) bond lengths are 2.64 Å. C(1) is bonded in a trigonal planar geometry to two equivalent N(1) and one H(4) atom. Both C(1)-N(1) bond lengths are 1.34 Å. The C(1)-H(4) bond length is 1.08 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.35 Å. In the second N site, N(2) is bonded in a water-like geometry to one N(1) and one N(2) atom. The N(2)-N(2) bond length is 1.31 Å. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one H(1), one H(2), and one H(3) atom. The N(3)-H(1) bond length is 1.03 Å. The N(3)-H(2) bond length is 1.03 Å. The N(3)-H(3) bond length is 1.03 Å. In the fourth N site, N(4) is bonded in a linear geometry to two equivalent N(5) atoms. Both N(4)-N(5) bond lengths are 1.19 Å. In the fifth N site, N(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one N(4) atom. There are four 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 N(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(1) atom. Linkers: 2 C1=NN=N[N]1. Metal clusters: 2 [Cu]. The MOF has largest included sphere 1.80 A, density 2.07 g/cm3, surface area 3556.92 m2/g, accessible volume 0.07 cm3/g