LiH23(C6N)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one LiH23(C6N)3 cluster. Li(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form distorted LiN4 tetrahedra that share  a cornercorner with one C(17)H3N tetrahedra,  a cornercorner with one C(18)H3N tetrahedra, and  an edgeedge with one Li(1)N4 tetrahedra. The Li(1)-N(2) bond length is 2.03 Å. The Li(1)-N(3) bond length is 2.04 Å. There is one shorter (2.05 Å) and one longer (2.11 Å) Li(1)-N(1) bond length. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one N(2) atom. The C(1)-C(2) bond length is 1.41 Å. The C(1)-C(6) bond length is 1.41 Å. The C(1)-N(2) bond length is 1.40 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.39 Å. 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(2), one C(4), and one H(2) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-H(2) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(7) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-C(7) bond length is 1.50 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(3) atom. The C(5)-H(3) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(1) and one H(4) atom. The C(6)-H(4) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted trigonal non-coplanar geometry to one C(4), one H(5), one H(6), and one H(7) atom. The C(7)-H(5) bond length is 1.10 Å. The C(7)-H(6) bond length is 1.10 Å. The C(7)-H(7) bond length is 1.10 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(13), one C(9), and one N(1) atom. The C(8)-C(13) bond length is 1.41 Å. The C(8)-C(9) bond length is 1.41 Å. The C(8)-N(1) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(8) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-H(8) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one C(9), and one H(9) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-H(9) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(14) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-C(14) bond length is 1.50 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(11) and one H(10) atom. The C(12)-H(10) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(8) and one H(11) atom. The C(13)-H(11) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal non-coplanar geometry to one C(11), one H(12), one H(13), and one H(14) atom. The C(14)-H(12) bond length is 1.10 Å. The C(14)-H(13) bond length is 1.10 Å. The C(14)-H(14) bond length is 1.10 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(15) atom. The C(15)-N(1) bond length is 1.34 Å. The C(15)-N(2) bond length is 1.32 Å. The C(15)-H(15) bond length is 1.11 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one H(16), and one H(17) atom. The C(16)-N(3) bond length is 1.48 Å. The C(16)-H(16) bond length is 1.10 Å. The C(16)-H(17) bond length is 1.11 Å. In the seventeenth C site, C(17) is bonded to one N(3), one H(18), one H(19), and one H(20) atom to form CH3N tetrahedra that share  a cornercorner with one Li(1)N4 tetrahedra and  a cornercorner with one C(18)H3N tetrahedra. The C(17)-N(3) bond length is 1.47 Å. The C(17)-H(18) bond length is 1.10 Å. The C(17)-H(19) bond length is 1.10 Å. The C(17)-H(20) bond length is 1.11 Å. In the eighteenth C site, C(18) is bonded to one N(3), one H(21), one H(22), and one H(23) atom to form CH3N tetrahedra that share  a cornercorner with one Li(1)N4 tetrahedra and  a cornercorner with one C(17)H3N tetrahedra. The C(18)-N(3) bond length is 1.47 Å. The C(18)-H(21) bond length is 1.10 Å. The C(18)-H(22) bond length is 1.10 Å. The C(18)-H(23) bond length is 1.11 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one C(15), and one C(8) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Li(1), one C(1), and one C(15) atom. In the third N site, N(3) is bonded in a tetrahedral geometry to one Li(1), one C(16), one C(17), and one C(18) atom. There are twenty-three 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(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(10) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(12) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(13) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(14) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(14) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(14) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(15) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(16) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(16) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(17) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(17) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(17) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(18) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(18) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(18) atom. Linkers: 1 CN(C)CCN(C)C. Metal clusters: 2 [Li]. The MOF has largest included sphere 2.74 A, density 1.16 g/cm3, surface area 6513.27 m2/g, accessible volume 0.21 cm3/g