Ti3C21NH15O12 crystallizes in the hexagonal P6_3/mcm space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing TiO7 pentagonal bipyramids. Both Ti(1)-O(1) bond lengths are 2.09 Å. Both Ti(1)-O(2) bond lengths are 2.04 Å. There are two shorter (1.94 Å) and one longer (2.15 Å) Ti(1)-O(3) bond length. There are five inequivalent C sites. In the first C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(4), and one H(2) atom. The C(2)-C(1) bond length is 1.39 Å. The C(2)-C(4) bond length is 1.40 Å. The C(2)-H(2) bond length is 1.09 Å. In the second C site, C(4) is bonded in a trigonal planar geometry to one C(5) and two equivalent C(2) atoms. The C(4)-C(5) bond length is 1.49 Å. In the third C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(3), and one H(1) atom. The C(1)-C(3) bond length is 1.41 Å. The C(1)-H(1) bond length is 1.09 Å. In the fourth C site, C(5) is bonded in a bent 120 degrees geometry to one C(4) and two equivalent O(1) atoms. Both C(5)-O(1) bond lengths are 1.27 Å. In the fifth C site, C(3) is bonded in a distorted trigonal planar geometry to two equivalent C(1) and one N(1) atom. The C(3)-N(1) bond length is 1.41 Å. N(1) is bonded in a trigonal planar geometry to three equivalent C(3) atoms. There are three inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(1) 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 O(2) atom. The H(3)-O(2) bond length is 0.97 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one C(5) atom. In the second O site, O(3) is bonded in a trigonal non-coplanar geometry to three equivalent Ti(1) atoms. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ti(1) and one H(3) atom. Linkers: 4 [O]C(=O)c1ccc(N(c2ccc(C([O])=O)cc2)c2ccc(C([O])=O)cc2)cc1. Metal clusters: 12 [Ti]. The MOF has largest included sphere 5.78 A, density 1.30 g/cm3, surface area 3349.39 m2/g, accessible volume 0.32 cm3/g