LiBC5NH15O is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two LiBC5NH15O clusters. Li(1) is bonded in a 6-coordinate geometry to one N(1), one H(11), one H(13), two equivalent H(12), and one O(1) atom. The Li(1)-N(1) bond length is 2.16 Å. The Li(1)-H(11) bond length is 1.95 Å. The Li(1)-H(13) bond length is 1.98 Å. There is one shorter (1.97 Å) and one longer (2.03 Å) Li(1)-H(12) bond length. The Li(1)-O(1) bond length is 1.97 Å. B(1) is bonded in a tetrahedral geometry to one H(11), one H(12), one H(13), and one H(14) atom. The B(1)-H(11) bond length is 1.23 Å. The B(1)-H(12) bond length is 1.23 Å. The B(1)-H(13) bond length is 1.23 Å. The B(1)-H(14) bond length is 1.22 Å. There are five inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one H(2), one H(8), and one O(1) atom. The C(1)-H(2) bond length is 1.10 Å. The C(1)-H(8) bond length is 1.10 Å. The C(1)-O(1) bond length is 1.44 Å. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(3), and one H(5) atom. The C(2)-N(1) bond length is 1.48 Å. The C(2)-H(3) bond length is 1.10 Å. The C(2)-H(5) bond length is 1.11 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(4), and one H(6) atom. The C(3)-N(1) bond length is 1.47 Å. The C(3)-H(4) bond length is 1.11 Å. The C(3)-H(6) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one H(1), one H(7), and one O(1) atom. The C(4)-H(1) bond length is 1.10 Å. The C(4)-H(7) bond length is 1.10 Å. The C(4)-O(1) bond length is 1.44 Å. In the fifth C site, C(5) is bonded in a tetrahedral geometry to one N(1), one H(10), one H(15), and one H(9) atom. The C(5)-N(1) bond length is 1.47 Å. The C(5)-H(10) bond length is 1.10 Å. The C(5)-H(15) bond length is 1.11 Å. The C(5)-H(9) bond length is 1.10 Å. N(1) is bonded in a tetrahedral geometry to one Li(1), one C(2), one C(3), and one C(5) atom. There are fifteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(1) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(5) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(5) atom. In the eleventh H site, H(11) is bonded in an L-shaped geometry to one Li(1) and one B(1) atom. In the twelfth H site, H(12) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one B(1) atom. In the thirteenth H site, H(13) is bonded in an L-shaped geometry to one Li(1) and one B(1) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one B(1) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(5) atom. O(1) is bonded in a trigonal planar geometry to one Li(1), one C(1), and one C(4) atom. Linkers: 4 CN1CCOCC1. Metal clusters: 4 [Li][N]C. The MOF has largest included sphere 2.17 A, density 1.02 g/cm3, surface area 6743.90 m2/g, accessible volume 0.25 cm3/g