Cu5H6(C4N13)2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in an octahedral geometry to two equivalent N(1) and four equivalent N(8) atoms. Both Cu(1)-N(1) bond lengths are 1.97 Å. All Cu(1)-N(8) bond lengths are 2.22 Å. In the second Cu site, Cu(2) is bonded in a square pyramidal geometry to one N(3), one N(4), one N(9), and two equivalent N(5) atoms. The Cu(2)-N(3) bond length is 1.99 Å. The Cu(2)-N(4) bond length is 2.25 Å. The Cu(2)-N(9) bond length is 1.95 Å. Both Cu(2)-N(5) bond lengths are 2.03 Å. In the third Cu site, Cu(3) is bonded in a trigonal pyramidal geometry to one C(3), one N(2), and two equivalent N(7) atoms. The Cu(3)-C(3) bond length is 1.85 Å. The Cu(3)-N(2) bond length is 2.08 Å. Both Cu(3)-N(7) bond lengths are 2.06 Å. There are three inequivalent C sites. In the first C site, 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 1.33 Å. The C(1)-H(1) bond length is 1.08 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(5), one N(8), and one H(2) atom. The C(2)-N(5) bond length is 1.34 Å. The C(2)-N(8) bond length is 1.33 Å. The C(2)-H(2) bond length is 1.08 Å. In the third C site, C(3) is bonded in a linear geometry to one Cu(3) and one N(9) atom. The C(3)-N(9) bond length is 1.18 Å. There are nine 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 1.34 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(3), one N(1), and one N(3) atom. The N(2)-N(3) bond length is 1.31 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(2), one N(2), and one N(4) atom. The N(3)-N(4) bond length is 1.33 Å. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(1), and one N(3) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(2), and one N(6) atom. The N(5)-N(6) bond length is 1.35 Å. In the sixth N site, N(6) is bonded in a water-like geometry to one N(5) and one N(7) atom. The N(6)-N(7) bond length is 1.31 Å. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Cu(3), one N(6), and one N(8) atom. The N(7)-N(8) bond length is 1.35 Å. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(2), and one N(7) atom. In the ninth N site, N(9) is bonded in a linear geometry to one Cu(2) and one C(3) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. Linkers: 6 C1=NN=N[N]1. Metal clusters: 5 [Cu]. The MOF has largest included sphere 2.55 A, density 2.27 g/cm3, surface area 2823.98 m2/g, accessible volume 0.10 cm3/g