LiC9N2H10O3 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 1.94 Å. The Li(1)-O(3) bond length is 1.92 Å. There is one shorter (1.94 Å) and one longer (1.96 Å) Li(1)-O(1) bond length. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(4) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(3) bond length is 1.40 Å. The C(1)-C(4) bond length is 1.51 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(1) atom. The C(2)-C(5) bond length is 1.40 Å. The C(2)-H(1) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(1), one C(6), and one H(2) atom. The C(3)-C(6) bond length is 1.40 Å. The C(3)-H(2) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(4)-O(1) bond length is 1.27 Å. The C(4)-O(2) bond length is 1.27 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(2), one C(5), and one N(1) atom. The C(5)-C(5) bond length is 1.49 Å. The C(5)-N(1) bond length is 1.35 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(3) atom. The C(6)-N(1) bond length is 1.34 Å. The C(6)-H(3) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(2), one H(4), and one O(3) atom. The C(7)-N(2) bond length is 1.34 Å. The C(7)-H(4) bond length is 1.11 Å. The C(7)-O(3) bond length is 1.25 Å. In the eighth C site, C(8) is bonded to one N(2), one H(5), one H(6), and one H(7) atom to form corner-sharing CH3N tetrahedra. The C(8)-N(2) bond length is 1.46 Å. The C(8)-H(5) bond length is 1.10 Å. The C(8)-H(6) bond length is 1.10 Å. The C(8)-H(7) bond length is 1.10 Å. In the ninth C site, C(9) is bonded to one N(2), one H(10), one H(8), and one H(9) atom to form corner-sharing CH3N tetrahedra. The C(9)-N(2) bond length is 1.46 Å. The C(9)-H(10) bond length is 1.09 Å. The C(9)-H(8) bond length is 1.10 Å. The C(9)-H(9) bond length is 1.10 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(5) and one C(6) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(7), one C(8), and one C(9) atom. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(9) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one C(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one C(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(7) atom. Linkers: 2 [O]C(=O)c1ccnc(-c2cc(C([O])=O)ccn2)c1. Metal clusters: 4 [Li]. The MOF has largest included sphere 1.99 A, density 1.35 g/cm3, surface area 5476.39 m2/g, accessible volume 0.17 cm3/g