LiC3N7H4O crystallizes in the triclinic P-1 space group. Li(1) is bonded to one N(6), one N(7), and two equivalent O(1) atoms to form corner-sharing LiN2O2 tetrahedra. The Li(1)-N(6) bond length is 2.05 Å. The Li(1)-N(7) bond length is 2.05 Å. There is one shorter (1.97 Å) and one longer (2.02 Å) Li(1)-O(1) bond length. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(3), one N(4), and one N(5) atom. The C(1)-N(3) bond length is 1.34 Å. The C(1)-N(4) bond length is 1.34 Å. The C(1)-N(5) bond length is 1.40 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(3) atom. The C(2)-N(5) bond length is 1.37 Å. The C(2)-N(6) bond length is 1.32 Å. The C(2)-H(3) bond length is 1.09 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(5), one N(7), and one H(4) atom. The C(3)-N(5) bond length is 1.37 Å. The C(3)-N(7) bond length is 1.32 Å. The C(3)-H(4) bond length is 1.09 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one N(2), one N(4), and one H(1) atom. The N(1)-N(2) bond length is 1.32 Å. The N(1)-N(4) bond length is 1.34 Å. The N(1)-H(1) bond length is 1.72 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(3), and one H(2) atom. The N(2)-N(3) bond length is 1.34 Å. The N(2)-H(2) bond length is 1.72 Å. In the third N site, N(3) is bonded in a distorted water-like geometry to one C(1) and one N(2) atom. In the fourth N site, N(4) is bonded in a distorted water-like geometry to one C(1) and one N(1) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(3) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Li(1), one C(2), and one N(7) atom. The N(6)-N(7) bond length is 1.39 Å. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Li(1), one C(3), and one N(6) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) and one O(1) atom. The H(1)-O(1) bond length is 1.01 Å. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) and one O(1) atom. The H(2)-O(1) bond length is 1.01 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(3) atom. O(1) is bonded to two equivalent Li(1), one H(1), and one H(2) atom to form distorted corner-sharing OLi2H2 tetrahedra. Linkers: 2 c1nncn1C1=NN=N[N]1. Metal clusters: 2 [Li]. The MOF has largest included sphere 2.06 A, density 1.69 g/cm3, surface area 4057.59 m2/g, accessible volume 0.09 cm3/g