LiC2NH2O3 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form distorted corner-sharing LiO4 tetrahedra. The Li(1)-O(1) bond length is 2.02 Å. The Li(1)-O(3) bond length is 1.89 Å. The Li(1)-O(7) bond length is 1.98 Å. The Li(1)-O(8) bond length is 1.97 Å. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form distorted corner-sharing LiO4 trigonal pyramids. The Li(2)-O(1) bond length is 1.96 Å. The Li(2)-O(4) bond length is 2.01 Å. The Li(2)-O(7) bond length is 1.98 Å. The Li(2)-O(8) bond length is 1.99 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one N(2), one O(4), one O(5), and one O(9) atom. The Li(3)-N(2) bond length is 2.06 Å. The Li(3)-O(4) bond length is 2.09 Å. The Li(3)-O(5) bond length is 1.90 Å. The Li(3)-O(9) bond length is 1.99 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one N(3) atom. The C(1)-C(4) bond length is 1.53 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-N(3) bond length is 1.34 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one N(2) atom. The C(2)-C(5) bond length is 1.53 Å. The C(2)-N(1) bond length is 1.34 Å. The C(2)-N(2) bond length is 1.34 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one N(2) and one N(3) atom. The C(3)-N(2) bond length is 1.34 Å. The C(3)-N(3) bond length is 1.34 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 bent 120 degrees geometry to one C(2), 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 1.27 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. The C(6)-O(5) bond length is 1.26 Å. The C(6)-O(6) bond length is 1.27 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Li(3), one C(2), and one C(3) atom. In the third N site, N(3) is bonded in a distorted bent 120 degrees geometry to one C(1) and one C(3) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. The H(1)-O(7) bond length is 0.99 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(6) and one O(7) atom. The H(2)-O(6) bond length is 1.63 Å. The H(2)-O(7) bond length is 1.00 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. The H(3)-O(8) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(6) and one O(8) atom. The H(4)-O(6) bond length is 1.67 Å. The H(4)-O(8) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(2) and one O(9) atom. The H(5)-O(2) bond length is 1.62 Å. The H(5)-O(9) bond length is 1.01 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(9) atom. The H(6)-O(9) bond length is 0.97 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one C(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one C(4) and one H(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one C(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one C(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(3) and one C(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one C(6), one H(2), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one H(1), and one H(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one H(3), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one H(5), and one H(6) atom. Linkers: 2 [O]C(=O)C1=NC(=[N]=C([N]1)C(=O)[O])C(=O)[O]. Metal clusters: 6 [Li]. The MOF has largest included sphere 2.50 A, density 1.63 g/cm3, surface area 3427.18 m2/g, accessible volume 0.16 cm3/g