CuC7N4H6O5 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in an octahedral geometry to one N(4), one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The Cu(1)-N(4) bond length is 2.00 Å. The Cu(1)-O(1) bond length is 2.36 Å. The Cu(1)-O(2) bond length is 2.00 Å. The Cu(1)-O(3) bond length is 2.04 Å. The Cu(1)-O(4) bond length is 2.03 Å. The Cu(1)-O(5) bond length is 2.40 Å. There are seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(1)-O(1) bond length is 1.25 Å. The C(1)-O(2) bond length is 1.29 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. The C(2)-O(3) bond length is 1.27 Å. The C(2)-O(4) bond length is 1.26 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(3) atom. The C(3)-N(1) bond length is 1.35 Å. The C(3)-N(2) bond length is 1.34 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(5), one N(2), and one N(4) atom. The C(4)-C(5) bond length is 1.42 Å. The C(4)-N(2) bond length is 1.34 Å. The C(4)-N(4) bond length is 1.39 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one N(3) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-N(3) bond length is 1.38 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one H(4) atom. The C(6)-N(1) bond length is 1.34 Å. The C(6)-H(4) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(6) atom. The C(7)-N(3) bond length is 1.35 Å. The C(7)-N(4) bond length is 1.34 Å. The C(7)-H(6) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one C(3), one C(6), and one H(1) atom. The N(1)-H(1) bond length is 1.74 Å. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(3) and one C(4) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(5), one C(7), and one H(5) atom. The N(3)-H(5) bond length is 1.04 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(4), and one C(7) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) and one O(5) atom. The H(1)-O(5) bond length is 1.01 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. The H(2)-O(5) bond length is 0.98 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Cu(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Cu(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Cu(1), one H(1), and one H(2) atom. Linkers: 4 [O]C(=O)C([O])=O. Metal clusters: 4 [Cu]. The MOF has largest included sphere 1.71 A, density 2.11 g/cm3, surface area 3363.10 m2/g, accessible volume 0.04 cm3/g