CuC5N4H crystallizes in the tetragonal P4_12_12 space group. Cu(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Cu(1)-N(1) bond length is 2.05 Å. The Cu(1)-N(2) bond length is 2.04 Å. The Cu(1)-N(3) bond length is 1.91 Å. The Cu(1)-N(4) bond length is 1.90 Å. There are five inequivalent C sites. In the first C site, C(3) is bonded in a distorted single-bond geometry to one C(4), one C(5), and one N(2) atom. The C(3)-C(4) bond length is 1.41 Å. The C(3)-C(5) bond length is 1.40 Å. The C(3)-N(2) bond length is 1.37 Å. In the second C site, C(4) is bonded in a distorted single-bond geometry to one C(2), one C(3), and one N(1) atom. The C(4)-C(2) bond length is 1.40 Å. The C(4)-N(1) bond length is 1.37 Å. In the third C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(1) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(2) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the fourth C site, C(5) is bonded in a distorted linear geometry to one C(3) and one N(4) atom. The C(5)-N(4) bond length is 1.17 Å. In the fifth C site, C(2) is bonded in a distorted linear geometry to one C(4) and one N(3) atom. The C(2)-N(3) bond length is 1.17 Å. There are four inequivalent N sites. In the first N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(3) atom. In the second N site, N(3) is bonded in a linear geometry to one Cu(1) and one C(2) atom. In the third N site, N(4) is bonded in a linear geometry to one Cu(1) and one C(5) atom. In the fourth N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(4) atom. H(1) is bonded in a single-bond geometry to one C(1) atom. Linkers: 8 N#CC1=C(C#N)N=C[N]1. Metal clusters: 8 [Cu]. The MOF has largest included sphere 4.28 A, density 1.29 g/cm3, surface area 3804.25 m2/g, accessible volume 0.43 cm3/g