LiC7N4H8O4Cl crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(1), one N(7), one O(1), and one O(8) atom to form LiN2O2 tetrahedra that share  a cornercorner with one Cl(1)O4 tetrahedra and  a cornercorner with one Cl(2)O4 tetrahedra. The Li(1)-N(1) bond length is 2.01 Å. The Li(1)-N(7) bond length is 2.01 Å. The Li(1)-O(1) bond length is 2.00 Å. The Li(1)-O(8) bond length is 2.01 Å. In the second Li site, Li(2) is bonded to one N(2), one N(8), one O(2), and one O(7) atom to form LiN2O2 tetrahedra that share  a cornercorner with one Cl(1)O4 tetrahedra and  a cornercorner with one Cl(2)O4 tetrahedra. The Li(2)-N(2) bond length is 2.01 Å. The Li(2)-N(8) bond length is 2.01 Å. The Li(2)-O(2) bond length is 2.00 Å. The Li(2)-O(7) bond length is 2.01 Å. There are fourteen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(1) atom. The C(1)-N(1) bond length is 1.33 Å. The C(1)-N(3) bond length is 1.37 Å. The C(1)-H(1) bond length is 1.08 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(4), and one H(2) atom. The C(2)-N(2) bond length is 1.33 Å. The C(2)-N(4) bond length is 1.37 Å. The C(2)-H(2) bond length is 1.08 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one H(3) atom. The C(3)-C(5) bond length is 1.37 Å. The C(3)-N(1) bond length is 1.39 Å. The C(3)-H(3) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(6), one N(2), and one H(4) atom. The C(4)-C(6) bond length is 1.37 Å. The C(4)-N(2) bond length is 1.39 Å. The C(4)-H(4) bond length is 1.08 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(3); one N(3); and one H(5,6) atom. The C(5)-N(3) bond length is 1.39 Å. The C(5)-H(5,6) bond length is 1.08 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(4); one N(4); and one H(5,6) atom. The C(6)-N(4) bond length is 1.39 Å. The C(6)-H(5,6) bond length is 1.08 Å. In the seventh C site, C(7) is bonded in a tetrahedral geometry to one N(3); one N(5,6); one H(7,8); and one H(9,10) atom. The C(7)-N(3) bond length is 1.45 Å. The C(7)-N(5,6) bond length is 1.45 Å. The C(7)-H(7,8) bond length is 1.09 Å. The C(7)-H(9,10) bond length is 1.10 Å. In the eighth C site, C(8) is bonded in a tetrahedral geometry to one N(4); one N(5,6); one H(7,8); and one H(9,10) atom. The C(8)-N(4) bond length is 1.45 Å. The C(8)-N(5,6) bond length is 1.45 Å. The C(8)-H(7,8) bond length is 1.09 Å. The C(8)-H(9,10) bond length is 1.10 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one N(5,6); one N(7); and one H(11,12) atom. The C(9)-N(5,6) bond length is 1.36 Å. The C(9)-N(7) bond length is 1.33 Å. The C(9)-H(11,12) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one N(5,6); one N(8); and one H(11,12) atom. The C(10)-N(5,6) bond length is 1.36 Å. The C(10)-N(8) bond length is 1.33 Å. The C(10)-H(11,12) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(13); one N(5,6); and one H(13,14) atom. The C(11)-C(13) bond length is 1.37 Å. The C(11)-N(5,6) bond length is 1.38 Å. The C(11)-H(13,14) bond length is 1.08 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(14); one N(5,6); and one H(13,14) atom. The C(12)-C(14) bond length is 1.37 Å. The C(12)-N(5,6) bond length is 1.38 Å. The C(12)-H(13,14) bond length is 1.08 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(11); one N(7); and one H(15,16) atom. The C(13)-N(7) bond length is 1.39 Å. The C(13)-H(15,16) bond length is 1.08 Å. In the fourteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(12); one N(8); and one H(15,16) atom. The C(14)-N(8) bond length is 1.39 Å. The C(14)-H(15,16) bond length is 1.08 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Li(1), one C(1), and one C(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Li(2), one C(2), and one C(4) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(7) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(8) atom. In the fifth N site, N(5,6) is bonded in a trigonal planar geometry to one C(11), one C(7), and one C(9) atom. In the sixth N site, N(7) is bonded in a trigonal planar geometry to one Li(1), one C(13), and one C(9) atom. In the seventh N site, N(8) is bonded in a trigonal planar geometry to one Li(2), one C(10), and one C(14) atom. There are ten 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(4) atom. In the fifth H site, H(5,6) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(7,8) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(9,10) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(11,12) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(13,14) is bonded in a single-bond geometry to one C(11) atom. In the tenth H site, H(15,16) is bonded in a single-bond geometry to one C(13) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Cl(1) atom. The O(1)-Cl(1) bond length is 1.48 Å. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(2) and one Cl(2) atom. The O(2)-Cl(2) bond length is 1.48 Å. In the third O site, O(3) is bonded in a single-bond geometry to one Cl(1) atom. The O(3)-Cl(1) bond length is 1.45 Å. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cl(2) atom. The O(4)-Cl(2) bond length is 1.45 Å. In the fifth O site, O(5) is bonded in a single-bond geometry to one Cl(1) atom. The O(5)-Cl(1) bond length is 1.45 Å. In the sixth O site, O(6) is bonded in a single-bond geometry to one Cl(2) atom. The O(6)-Cl(2) bond length is 1.45 Å. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one Cl(1) atom. The O(7)-Cl(1) bond length is 1.47 Å. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Cl(2) atom. The O(8)-Cl(2) bond length is 1.47 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form ClO4 tetrahedra that share  a cornercorner with one Li(1)N2O2 tetrahedra and  a cornercorner with one Li(2)N2O2 tetrahedra. In the second Cl site, Cl(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form ClO4 tetrahedra that share  a cornercorner with one Li(1)N2O2 tetrahedra and  a cornercorner with one Li(2)N2O2 tetrahedra. Linkers: 4 [O].[O].[O].[O]Cl. Metal clusters: 4 [Li]. The MOF has largest included sphere 1.72 A, density 1.59 g/cm3, surface area 4888.48 m2/g, accessible volume 0.11 cm3/g