LiC6NH4O2 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(4), one O(5), one O(7), and one O(8) atom to form edge-sharing LiNO3 tetrahedra. The Li(1)-N(4) bond length is 2.07 Å. The Li(1)-O(5) bond length is 1.98 Å. The Li(1)-O(7) bond length is 1.95 Å. The Li(1)-O(8) bond length is 1.88 Å. In the second Li site, Li(2) is bonded to one N(1), one O(5), one O(6), and one O(7) atom to form edge-sharing LiNO3 tetrahedra. The Li(2)-N(1) bond length is 2.06 Å. The Li(2)-O(5) bond length is 1.97 Å. The Li(2)-O(6) bond length is 1.88 Å. The Li(2)-O(7) bond length is 1.98 Å. In the third Li site, Li(3) is bonded to one N(2), one O(1), one O(2), and one O(3) atom to form edge-sharing LiNO3 tetrahedra. The Li(3)-N(2) bond length is 2.08 Å. The Li(3)-O(1) bond length is 1.97 Å. The Li(3)-O(2) bond length is 1.99 Å. The Li(3)-O(3) bond length is 1.88 Å. In the fourth Li site, Li(4) is bonded to one N(3), one O(1), one O(2), and one O(4) atom to form edge-sharing LiNO3 tetrahedra. The Li(4)-N(3) bond length is 2.08 Å. The Li(4)-O(1) bond length is 2.00 Å. The Li(4)-O(2) bond length is 1.95 Å. The Li(4)-O(4) bond length is 1.87 Å. There are twenty-four inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(17), one N(4), and one H(1) atom. The C(1)-C(17) bond length is 1.39 Å. The C(1)-N(4) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(3), and one H(2) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-N(3) bond length is 1.35 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(18), one C(2), and one H(3) atom. The C(3)-C(18) bond length is 1.40 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(5), one C(7), and one C(9) atom. The C(4)-C(5) bond length is 1.51 Å. The C(4)-C(7) 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 bent 120 degrees geometry to one C(4), one O(1), and one O(6) atom. The C(5)-O(1) bond length is 1.28 Å. The C(5)-O(6) bond length is 1.26 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(10), one C(15), and one C(16) atom. The C(6)-C(10) bond length is 1.51 Å. The C(6)-C(15) bond length is 1.40 Å. The C(6)-C(16) bond length is 1.40 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(4), one C(8), and one H(4) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-H(4) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(7), one N(2), and one H(5) atom. The C(8)-N(2) bond length is 1.35 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(13), one C(4), and one H(6) atom. The C(9)-C(13) bond length is 1.39 Å. The C(9)-H(6) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(2), and one O(8) atom. The C(10)-O(2) bond length is 1.27 Å. The C(10)-O(8) bond length is 1.26 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(16), one N(1), and one H(7) atom. The C(11)-C(16) bond length is 1.39 Å. The C(11)-N(1) bond length is 1.35 Å. The C(11)-H(7) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(18), one O(3), and one O(5) atom. The C(12)-C(18) bond length is 1.52 Å. The C(12)-O(3) bond length is 1.26 Å. The C(12)-O(5) bond length is 1.28 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(2), and one H(8) atom. The C(13)-N(2) bond length is 1.34 Å. The C(13)-H(8) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(15), one N(1), and one H(9) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-N(1) bond length is 1.34 Å. The C(14)-H(9) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(14), one C(6), and one H(10) atom. The C(15)-H(10) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(11), one C(6), and one H(11) atom. The C(16)-H(11) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(1), one C(22), and one H(12) atom. The C(17)-C(22) bond length is 1.40 Å. The C(17)-H(12) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one C(12), one C(23), and one C(3) atom. The C(18)-C(23) bond length is 1.40 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(23), one N(3), and one H(13) atom. The C(19)-C(23) bond length is 1.40 Å. The C(19)-N(3) bond length is 1.34 Å. The C(19)-H(13) bond length is 1.09 Å. In the twentieth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(22), one O(4), and one O(7) atom. The C(20)-C(22) bond length is 1.51 Å. The C(20)-O(4) bond length is 1.26 Å. The C(20)-O(7) bond length is 1.28 Å. In the twenty-first C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(24), one N(4), and one H(14) atom. The C(21)-C(24) bond length is 1.39 Å. The C(21)-N(4) bond length is 1.34 Å. The C(21)-H(14) bond length is 1.09 Å. In the twenty-second C site, C(22) is bonded in a trigonal planar geometry to one C(17), one C(20), and one C(24) atom. The C(22)-C(24) bond length is 1.40 Å. In the twenty-third C site, C(23) is bonded in a distorted trigonal planar geometry to one C(18), one C(19), and one H(15) atom. The C(23)-H(15) bond length is 1.09 Å. In the twenty-fourth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(21), one C(22), and one H(16) atom. The C(24)-H(16) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Li(2), one C(11), and one C(14) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Li(3), one C(13), and one C(8) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Li(4), one C(19), and one C(2) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Li(1), one C(1), and one C(21) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) 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(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(13) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(14) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(15) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(16) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(17) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(19) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(21) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(23) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(24) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one C(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one C(10) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(3) and one C(12) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(4) and one C(20) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one C(12) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(2) and one C(5) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one C(20) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1) and one C(10) atom. Linkers: 8 [O]C(=O)c1ccncc1. Metal clusters: 8 [Li]. The MOF has largest included sphere 4.35 A, density 1.09 g/cm3, surface area 4983.90 m2/g, accessible volume 0.34 cm3/g