LiC4N2H7O5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. The Li(1)-O(2) bond length is 1.92 Å. The Li(1)-O(3) bond length is 1.92 Å. The Li(1)-O(4) bond length is 1.95 Å. The Li(1)-O(5) bond length is 1.95 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one O(1) atom. The C(1)-N(1) bond length is 1.36 Å. The C(1)-N(2) bond length is 1.36 Å. The C(1)-O(1) bond length is 1.26 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(2), and one O(2) atom. The C(2)-C(3) bond length is 1.41 Å. The C(2)-N(2) bond length is 1.40 Å. The C(2)-O(2) bond length is 1.27 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(3) atom. The C(3)-C(4) bond length is 1.40 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(3), one N(1), and one O(3) atom. The C(4)-N(1) bond length is 1.40 Å. The C(4)-O(3) bond length is 1.28 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one C(4), and one H(1) atom. The N(1)-H(1) bond length is 1.04 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(1), one C(2), and one H(2) atom. The N(2)-H(2) bond length is 1.04 Å. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) atom. 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 distorted linear geometry to one O(4) and one O(5) atom. The H(4)-O(4) bond length is 1.01 Å. The H(4)-O(5) bond length is 1.62 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) and one O(4) atom. The H(5)-O(1) bond length is 1.71 Å. The H(5)-O(4) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(1) and one O(5) atom. The H(6)-O(1) bond length is 1.69 Å. The H(6)-O(5) bond length is 1.00 Å. In the seventh H site, H(7) is bonded in a linear geometry to one O(3) and one O(5) atom. The H(7)-O(3) bond length is 1.58 Å. The H(7)-O(5) bond length is 1.01 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one C(1), one H(5), and one H(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one C(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one C(4), and one H(7) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Li(1), one H(4), and one H(5) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(1), one H(4), one H(6), and one H(7) atom. Linkers: 4 O=C1[CH]C(=O)NC(=O)N1. Metal clusters: 4 O.O.[Li][O].[O]. The MOF has largest included sphere 2.07 A, density 1.58 g/cm3, surface area 4480.11 m2/g, accessible volume 0.15 cm3/g