Li3C9H5O7 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(4), one O(7), and two equivalent O(1) atoms. The Li(1)-O(4) bond length is 1.93 Å. The Li(1)-O(7) bond length is 2.00 Å. There is one shorter (1.89 Å) and one longer (2.03 Å) Li(1)-O(1) bond length. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. The Li(2)-O(2) bond length is 1.95 Å. The Li(2)-O(3) bond length is 2.00 Å. The Li(2)-O(5) bond length is 2.06 Å. The Li(2)-O(6) bond length is 1.96 Å. In the third Li site, Li(3) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(7) atom. The Li(3)-O(2) bond length is 1.94 Å. The Li(3)-O(4) bond length is 1.95 Å. The Li(3)-O(6) bond length is 1.89 Å. The Li(3)-O(7) bond length is 2.00 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(1), and one O(2) atom. The C(1)-C(4) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.27 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(3), and one O(4) atom. The C(2)-C(6) bond length is 1.50 Å. The C(2)-O(3) bond length is 1.28 Å. The C(2)-O(4) bond length is 1.27 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(5), and one O(6) atom. The C(3)-C(8) bond length is 1.50 Å. The C(3)-O(5) bond length is 1.27 Å. The C(3)-O(6) bond length is 1.28 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(9) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-C(9) bond length is 1.40 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(1) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-H(1) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(2), one C(5), and one C(7) atom. The C(6)-C(7) bond length is 1.40 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6), one C(8), and one H(2) atom. The C(7)-C(8) bond length is 1.40 Å. The C(7)-H(2) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(3), one C(7), and one C(9) atom. The C(8)-C(9) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(4), one C(8), and one H(3) atom. The C(9)-H(3) bond length is 1.09 Å. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(7) atom. The H(4)-O(7) bond length is 0.99 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) and one O(7) atom. The H(5)-O(3) bond length is 1.72 Å. The H(5)-O(7) bond length is 1.00 Å. There are seven 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(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one C(2), and one H(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one C(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Li(2) and one C(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one C(3) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(3), one H(4), and one H(5) atom. Linkers: 2 [O]C(=O)c1cc(C([O])=O)cc(C([O])=O)c1. Metal clusters: 6 [Li]. The MOF has largest included sphere 1.62 A, density 1.75 g/cm3, surface area 3071.92 m2/g, accessible volume 0.06 cm3/g