LiC6NH6O3 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing LiO4 tetrahedra. The Li(1)-O(1) bond length is 1.92 Å. The Li(1)-O(2) bond length is 1.93 Å. There is one shorter (2.03 Å) and one longer (2.07 Å) Li(1)-O(3) bond length. There are six inequivalent C sites. In the first C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(4) atom. The C(3)-C(2) bond length is 1.40 Å. The C(3)-C(6) bond length is 1.39 Å. The C(3)-H(4) bond length is 1.09 Å. In the second C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(4)-C(2) bond length is 1.52 Å. The C(4)-O(1) bond length is 1.27 Å. The C(4)-O(2) bond length is 1.27 Å. In the third C site, C(5) is bonded in a distorted trigonal planar geometry to one C(1), one N(1), and one H(5) atom. The C(5)-C(1) bond length is 1.39 Å. The C(5)-N(1) bond length is 1.34 Å. The C(5)-H(5) bond length is 1.09 Å. In the fourth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(6) atom. The C(6)-N(1) bond length is 1.34 Å. The C(6)-H(6) bond length is 1.09 Å. In the fifth C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(5), and one H(3) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-H(3) bond length is 1.09 Å. In the sixth C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. N(1) is bonded in a trigonal planar geometry to one C(5), one C(6), and one H(1) atom. The N(1)-H(1) bond length is 1.56 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one N(1) and one O(3) atom. The H(1)-O(3) bond length is 1.05 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. The H(2)-O(3) bond length is 0.97 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Li(1), one H(1), and one H(2) atom to form distorted corner-sharing OLi2H2 tetrahedra. In the second O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one C(4) atom. In the third O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one C(4) atom. Linkers: 2 [O]C(=O)c1ccncc1 ,2 O. Metal clusters: 2 [Li]. The MOF has largest included sphere 2.09 A, density 1.42 g/cm3, surface area 4836.25 m2/g, accessible volume 0.13 cm3/g