CuC7N3H4 crystallizes in the orthorhombic P2_12_12_1 space group. Cu(1) is bonded in a tetrahedral geometry to one C(1), one N(1), one N(2), and one N(3) atom. The Cu(1)-C(1) bond length is 1.88 Å. The Cu(1)-N(1) bond length is 1.97 Å. The Cu(1)-N(2) bond length is 2.08 Å. The Cu(1)-N(3) bond length is 1.93 Å. There are seven inequivalent C sites. In the first C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(7) atom. The C(4)-C(3) bond length is 1.41 Å. The C(4)-C(5) bond length is 1.41 Å. The C(4)-C(7) bond length is 1.42 Å. In the second C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(3) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-H(3) bond length is 1.09 Å. In the third C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one N(2), and one H(4) atom. The C(6)-N(2) bond length is 1.35 Å. The C(6)-H(4) bond length is 1.09 Å. In the fourth C site, C(7) is bonded in a distorted linear geometry to one C(4) and one N(3) atom. The C(7)-N(3) bond length is 1.17 Å. In the fifth C site, C(1) is bonded in a linear geometry to one Cu(1) and one N(1) atom. The C(1)-N(1) bond length is 1.18 Å. In the sixth C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(2), and one H(1) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-N(2) bond length is 1.35 Å. The C(2)-H(1) bond length is 1.09 Å. In the seventh C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(2) atom. The C(3)-H(2) bond length is 1.09 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Cu(1) and one C(1) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(2), and one C(6) atom. In the third N site, N(3) is bonded in a linear geometry to one Cu(1) and one C(7) atom. 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(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. Linkers: 4 N#Cc1ccncc1 ,4 [C]#N. Metal clusters: 4 [Cu]. The MOF has largest included sphere 1.66 A, density 1.91 g/cm3, surface area 4433.13 m2/g, accessible volume 0.10 cm3/g