Li2C6N3H3O7 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(2), one O(1), one O(2), one O(4), and one O(6) atom to form a mixture of distorted edge and corner-sharing LiNO4 trigonal bipyramids. The Li(1)-N(2) bond length is 2.16 Å. The Li(1)-O(1) bond length is 2.09 Å. The Li(1)-O(2) bond length is 2.00 Å. The Li(1)-O(4) bond length is 1.98 Å. The Li(1)-O(6) bond length is 1.99 Å. In the second Li site, Li(2) is bonded to one N(1), one O(1), one O(2), one O(5), and one O(6) atom to form a mixture of edge and corner-sharing LiNO4 trigonal bipyramids. The Li(2)-N(1) bond length is 2.17 Å. The Li(2)-O(1) bond length is 2.00 Å. The Li(2)-O(2) bond length is 2.02 Å. The Li(2)-O(5) bond length is 2.01 Å. The Li(2)-O(6) bond length is 2.10 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one N(2) atom. The C(1)-C(3) bond length is 1.41 Å. The C(1)-C(5) bond length is 1.53 Å. The C(1)-N(2) bond length is 1.35 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(6), and one O(7) atom. The C(2)-C(3) bond length is 1.53 Å. The C(2)-O(6) bond length is 1.25 Å. The C(2)-O(7) bond length is 1.29 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(1), one C(2), and one N(1) atom. The C(3)-N(1) bond length is 1.35 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(6), one N(1), and one H(1) atom. The C(4)-C(6) bond length is 1.40 Å. The C(4)-N(1) bond length is 1.33 Å. The C(4)-H(1) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(3) atom. The C(5)-O(1) bond length is 1.24 Å. The C(5)-O(3) bond length is 1.29 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(4), one N(2), and one H(2) atom. The C(6)-N(2) bond length is 1.33 Å. The C(6)-H(2) bond length is 1.09 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Li(2), one C(3), and one C(4) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Li(1), one C(1), and one C(6) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. The N(3)-O(2) bond length is 1.28 Å. The N(3)-O(4) bond length is 1.26 Å. The N(3)-O(5) bond length is 1.26 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3) is bonded in a linear geometry to one O(3) and one O(7) atom. The H(3)-O(3) bond length is 1.15 Å. The H(3)-O(7) bond length is 1.27 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one C(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one N(3) atom. In the third O site, O(3) is bonded in a water-like geometry to one C(5) and one H(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Li(1) and one N(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(2) and one N(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one C(2) and one H(3) atom. Linkers: 2 [O]C(=O)c1nccnc1C(=O)O. Metal clusters: 4 [Li]. The MOF has largest included sphere 1.76 A, density 1.80 g/cm3, surface area 3792.79 m2/g, accessible volume 0.06 cm3/g