LiC6NH4O3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form edge-sharing LiO4 tetrahedra. The Li(1)-O(2) bond length is 1.89 Å. The Li(1)-O(3) bond length is 1.96 Å. There is one shorter (1.97 Å) and one longer (1.98 Å) Li(1)-O(1) bond length. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(6), one N(1), and one H(1) atom. The C(1)-C(6) bond length is 1.38 Å. The C(1)-N(1) bond length is 1.36 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(3), one C(4), and one C(6) atom. The C(2)-C(3) bond length is 1.51 Å. The C(2)-C(4) bond length is 1.40 Å. The C(2)-C(6) bond length is 1.40 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(3)-O(1) bond length is 1.28 Å. The C(3)-O(2) bond length is 1.26 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(2) and one H(2) atom. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(3) atom. The C(5)-N(1) bond length is 1.37 Å. The C(5)-H(3) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(2), and one H(4) atom. The C(6)-H(4) bond length is 1.09 Å. N(1) is bonded in a trigonal planar geometry to one C(1), one C(5), and one O(3) atom. The N(1)-O(3) bond length is 1.31 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) 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. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one C(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one C(3) atom. In the third O site, O(3) is bonded in a water-like geometry to one Li(1) and one N(1) atom. Linkers: 4 [O]C(=O)c1cc[n+]([O-])cc1. Metal clusters: 4 [Li]. The MOF has largest included sphere 2.04 A, density 1.54 g/cm3, surface area 4320.96 m2/g, accessible volume 0.15 cm3/g