LiC5NH4SO3 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(2), one O(2), one O(5), and one O(6) atom. The Li(1)-N(2) bond length is 2.10 Å. The Li(1)-O(2) bond length is 1.90 Å. The Li(1)-O(5) bond length is 1.94 Å. The Li(1)-O(6) bond length is 1.95 Å. In the second Li site, Li(2) is bonded in a tetrahedral geometry to one N(1), one O(1), one O(3), and one O(4) atom. The Li(2)-N(1) bond length is 2.05 Å. The Li(2)-O(1) bond length is 1.91 Å. The Li(2)-O(3) bond length is 1.91 Å. The Li(2)-O(4) bond length is 1.88 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(5), and one S(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(5) bond length is 1.40 Å. The C(1)-S(1) bond length is 1.78 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(1) atom. The C(2)-H(1) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(4) and one H(2) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(2) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(8) atom. The C(4)-N(1) bond length is 1.35 Å. The C(4)-H(8) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(1), one N(1), and one H(3) atom. The C(5)-N(1) bond length is 1.34 Å. The C(5)-H(3) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(10), one C(7), and one S(2) atom. The C(6)-C(10) bond length is 1.40 Å. The C(6)-C(7) bond length is 1.40 Å. The C(6)-S(2) bond length is 1.78 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6) and one H(4) atom. The C(7)-H(4) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(9) and one H(5) atom. The C(8)-C(9) bond length is 1.39 Å. The C(8)-H(5) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(8), one N(2), and one H(6) atom. The C(9)-N(2) bond length is 1.35 Å. The C(9)-H(6) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(6), one N(2), and one H(7) atom. The C(10)-N(2) bond length is 1.34 Å. The C(10)-H(7) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Li(2), one C(4), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Li(1), one C(10), and one C(9) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one O(1), one O(2), and one O(3) atom. The S(1)-O(1) bond length is 1.46 Å. The S(1)-O(2) bond length is 1.47 Å. The S(1)-O(3) bond length is 1.47 Å. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one C(6), one O(4), one O(5), and one O(6) atom. The S(2)-O(4) bond length is 1.46 Å. The S(2)-O(5) bond length is 1.47 Å. The S(2)-O(6) bond length is 1.47 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(2) and one S(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Li(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(2) and one S(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one S(2) atom. Linkers: 4 [O]S([O])([O])c1cccnc1. Metal clusters: 4 [Li]. The MOF has largest included sphere 1.75 A, density 1.69 g/cm3, surface area 4382.32 m2/g, accessible volume 0.07 cm3/g