Li2C2N10H8O3 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a tetrahedral geometry to one N(10), one N(3), one N(7), and one O(2) atom. The Li(1)-N(10) bond length is 2.04 Å. The Li(1)-N(3) bond length is 2.08 Å. The Li(1)-N(7) bond length is 2.08 Å. The Li(1)-O(2) bond length is 1.99 Å. In the second Li site, Li(2) is bonded to one N(2), one O(3), and two equivalent O(1) atoms to form edge-sharing LiNO3 tetrahedra. The Li(2)-N(2) bond length is 2.04 Å. The Li(2)-O(3) bond length is 1.89 Å. There is one shorter (1.97 Å) and one longer (2.00 Å) Li(2)-O(1) bond length. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(2), one N(4), and one N(6) atom. The C(1)-N(2) bond length is 1.35 Å. The C(1)-N(4) bond length is 1.39 Å. The C(1)-N(6) bond length is 1.34 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(1), one N(10), and one N(8) atom. The C(2)-N(1) bond length is 1.36 Å. The C(2)-N(10) bond length is 1.35 Å. The C(2)-N(8) bond length is 1.35 Å. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one C(2), one N(4), and one H(1) atom. The N(1)-N(4) bond length is 1.40 Å. The N(1)-H(1) bond length is 1.03 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Li(2), one C(1), and one N(3) atom. The N(2)-N(3) bond length is 1.35 Å. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Li(1), one N(2), and one N(9) atom. The N(3)-N(9) bond length is 1.32 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one C(1), one N(1), and one H(2) atom. The N(4)-H(2) bond length is 1.03 Å. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one N(7), one N(8), and one H(6) atom. The N(5)-N(7) bond length is 1.31 Å. The N(5)-N(8) bond length is 1.36 Å. The N(5)-H(6) bond length is 1.73 Å. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one C(1), one N(9), and one H(4) atom. The N(6)-N(9) bond length is 1.35 Å. The N(6)-H(4) bond length is 1.78 Å. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Li(1), one N(10), and one N(5) atom. The N(7)-N(10) bond length is 1.35 Å. In the eighth N site, N(8) is bonded in a distorted single-bond geometry to one C(2) and one N(5) atom. In the ninth N site, N(9) is bonded in a distorted water-like geometry to one N(3) and one N(6) atom. In the tenth N site, N(10) is bonded in a 3-coordinate geometry to one Li(1), one C(2), and one N(7) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. The H(3)-O(3) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(6) and one O(1) atom. The H(4)-O(1) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(2) atom. The H(5)-O(2) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one N(5) and one O(3) atom. The H(6)-O(3) bond length is 1.00 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(2) atom. The H(7)-O(2) bond length is 1.00 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(1) atom. The H(8)-O(1) bond length is 0.99 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), one H(4), and one H(8) atom to form distorted edge-sharing OLi2H2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(5), and one H(7) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one H(3), and one H(6) atom. Linkers: 2 [N]1N=NN=C1NNC1=NN=N[N]1. Metal clusters: 4 [Li]. The MOF has largest included sphere 1.99 A, density 1.69 g/cm3, surface area 3727.51 m2/g, accessible volume 0.07 cm3/g