NaC3N4H3O5 crystallizes in the orthorhombic Pca2_1 space group. Na(1) is bonded in a 6-coordinate geometry to one N(2), one O(1), one O(3), one O(5), and two equivalent O(2) atoms. The Na(1)-N(2) bond length is 2.50 Å. The Na(1)-O(1) bond length is 2.79 Å. The Na(1)-O(3) bond length is 2.77 Å. The Na(1)-O(5) bond length is 2.76 Å. There is one shorter (2.36 Å) and one longer (2.37 Å) Na(1)-O(2) bond length. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one N(4) atom. The C(1)-C(2) bond length is 1.42 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(4) bond length is 1.42 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(1), one N(2), and one N(3) atom. The C(2)-N(2) bond length is 1.35 Å. The C(2)-N(3) bond length is 1.42 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(1) atom. The C(3)-N(1) bond length is 1.35 Å. The C(3)-N(2) bond length is 1.35 Å. The C(3)-H(1) bond length is 1.08 Å. There are four inequivalent N sites. In the first N site, N(2) is bonded in a distorted trigonal planar geometry to one Na(1), one C(2), and one C(3) atom. In the second N site, N(3) is bonded in a trigonal planar geometry to one C(2), one O(1), and one O(4) atom. The N(3)-O(1) bond length is 1.25 Å. The N(3)-O(4) bond length is 1.24 Å. In the third N site, N(4) is bonded in a trigonal planar geometry to one C(1), one O(3), and one O(5) atom. The N(4)-O(3) bond length is 1.25 Å. The N(4)-O(5) bond length is 1.25 Å. In the fourth N site, N(1) is bonded in a distorted water-like geometry to one C(1), one C(3), and one H(2) atom. The N(1)-H(2) bond length is 1.75 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) and one O(2) atom. The H(2)-O(2) bond length is 1.01 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. The H(3)-O(2) bond length is 0.98 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1) and one N(3) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to one Na(1) and one N(4) atom. In the third O site, O(2) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(2), and one H(3) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Na(1) and one N(4) atom. In the fifth O site, O(4) is bonded in a single-bond geometry to one N(3) atom. Linkers: 4 O=[N+]([O-])[C]1N=CN=C1[N+](=O)[O-]. Metal clusters: 4 [Na]. The MOF has largest included sphere 1.37 A, density 1.89 g/cm3, surface area 2742.10 m2/g, accessible volume 0.06 cm3/g