CuH16(C5N2)4 crystallizes in the tetragonal I4_1/a space group. Cu(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. All Cu(1)-N(1) bond lengths are 2.03 Å. There are five inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one C(5), and one N(2) atom. The C(1)-C(2) bond length is 1.38 Å. The C(1)-C(5) bond length is 1.39 Å. The C(1)-N(2) bond length is 1.43 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.38 Å. The C(2)-H(1) bond length is 0.95 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(2) atom. The C(3)-N(1) bond length is 1.34 Å. The C(3)-H(2) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(3) atom. The C(4)-N(1) bond length is 1.33 Å. The C(4)-H(3) bond length is 0.95 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(1) and one H(4) atom. The C(5)-H(4) bond length is 0.95 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(3), and one C(4) atom. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one C(1) and one N(2) atom. The N(2)-N(2) bond length is 1.25 Å. 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(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. Linkers: 8 c1cc([N][N]c2ccncc2)ccn1 ,4 [c]1cc([N][N]c2ccncc2)ccn1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 4.04 A, density 1.24 g/cm3, surface area 5212.52 m2/g, accessible volume 0.34 cm3/g