CuC6N5H4 crystallizes in the monoclinic P2_1/c 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 2.08 Å. The Cu(1)-N(2) bond length is 2.13 Å. The Cu(1)-N(3) bond length is 2.01 Å. The Cu(1)-N(4) bond length is 1.98 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.38 Å. The C(1)-N(1) bond length is 1.33 Å. The C(1)-H(1) bond length is 0.91 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(2) atom. The C(2)-C(3) bond length is 1.38 Å. The C(2)-H(2) bond length is 0.88 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(3)-C(4) bond length is 1.37 Å. The C(3)-C(6) bond length is 1.47 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(3) atom. The C(4)-H(3) bond length is 0.90 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(5)-N(1) bond length is 1.34 Å. The C(5)-H(4) bond length is 0.97 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(3), one N(2), and one N(5) atom. The C(6)-N(2) bond length is 1.34 Å. The C(6)-N(5) bond length is 1.33 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one C(6), and one N(3) atom. The N(2)-N(3) bond length is 1.35 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(1), 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(1), one N(3), and one N(5) atom. The N(4)-N(5) bond length is 1.33 Å. In the fifth N site, N(5) is bonded in a water-like geometry to one C(6) 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 C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) 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: 4 c1cc(C2=NN=N[N]2)ccn1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 5.09 A, density 1.49 g/cm3, surface area 3745.31 m2/g, accessible volume 0.30 cm3/g