CuC3N7H crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in a trigonal bipyramidal geometry to one N(1), one N(2), one N(3), one N(4), and one N(5) atom. The Cu(1)-N(1) bond length is 2.00 Å. The Cu(1)-N(2) bond length is 2.17 Å. The Cu(1)-N(3) bond length is 1.99 Å. The Cu(1)-N(4) bond length is 2.05 Å. The Cu(1)-N(5) bond length is 2.04 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(2), one N(5), and one H(1) atom. The C(1)-N(2) bond length is 1.34 Å. The C(1)-N(5) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.08 Å. In the second C site, C(2) is bonded in a distorted water-like geometry to one C(3), one N(4), and one N(7) atom. The C(2)-C(3) bond length is 1.44 Å. The C(2)-N(4) bond length is 1.35 Å. The C(2)-N(7) bond length is 1.34 Å. In the third C site, C(3) is bonded in a distorted water-like geometry to one C(2), one N(3), and one N(5) atom. The C(3)-N(3) bond length is 1.33 Å. The C(3)-N(5) bond length is 1.35 Å. There are seven inequivalent N sites. In the first N site, N(4) is bonded in a 3-coordinate geometry to one Cu(1), one C(2), and one N(1) atom. The N(4)-N(1) bond length is 1.34 Å. In the second N site, N(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(1), and one C(3) atom. In the third N site, N(6) is bonded in a water-like geometry to one N(1) and one N(7) atom. The N(6)-N(1) bond length is 1.33 Å. The N(6)-N(7) bond length is 1.34 Å. In the fourth N site, N(7) is bonded in a distorted water-like geometry to one C(2) and one N(6) atom. In the fifth N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one N(4), and one N(6) atom. In the sixth N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(1), and one N(3) atom. The N(2)-N(3) bond length is 1.37 Å. In the seventh N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(3), and one N(2) atom. H(1) is bonded in a single-bond geometry to one C(1) atom. Linkers: 1 C1=NN=C(C2=NN=N[N]2)[N]1 ,3 N1=NN=C([N]1)C1=[N]=CN=N1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 2.61 A, density 2.16 g/cm3, surface area 3082.28 m2/g, accessible volume 0.16 cm3/g