LiC5N2H5O5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing LiO5 trigonal bipyramids. The Li(1)-O(2) bond length is 2.18 Å. There is one shorter (1.90 Å) and one longer (2.15 Å) Li(1)-O(3) bond length. There is one shorter (1.99 Å) and one longer (2.05 Å) Li(1)-O(5) bond length. There are five inequivalent C sites. In the first C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(5) atom. The C(3)-C(2) bond length is 1.45 Å. The C(3)-C(4) bond length is 1.38 Å. The C(3)-C(5) bond length is 1.50 Å. In the second C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(3) atom. The C(4)-N(1) bond length is 1.35 Å. The C(4)-H(3) bond length is 1.09 Å. In the third C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(3), and one O(4) atom. The C(5)-O(3) bond length is 1.26 Å. The C(5)-O(4) bond length is 1.28 Å. In the fourth 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 1.38 Å. The C(1)-N(2) bond length is 1.37 Å. The C(1)-O(1) bond length is 1.24 Å. In the fifth 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)-N(2) bond length is 1.40 Å. The C(2)-O(2) bond length is 1.25 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 1.06 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 five inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one N(1) and one O(4) atom. The H(1)-O(4) bond length is 1.66 Å. 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(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) and one O(5) atom. The H(4)-O(4) bond length is 1.70 Å. The H(4)-O(5) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. The H(5)-O(1) bond length is 1.66 Å. The H(5)-O(5) bond length is 0.99 Å. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one C(5), one H(1), and one H(4) atom. In the second O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one H(4), and one H(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one C(5) atom. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one C(1) and one H(5) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(2) atom. Linkers: 4 [O]C(=O)c1c[nH]c(=O)[nH]c1=O. Metal clusters: 4 [Li]. The MOF has largest included sphere 1.48 A, density 1.85 g/cm3, surface area 3424.81 m2/g, accessible volume 0.08 cm3/g