GdC6N3H2O7 crystallizes in the hexagonal P6_3mc space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent N(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Both Gd(1)-N(1) bond lengths are 2.63 Å. The Gd(1)-O(3) bond length is 2.52 Å. The Gd(1)-O(4) bond length is 2.43 Å. Both Gd(1)-O(1) bond lengths are 2.38 Å. Both Gd(1)-O(2) bond lengths are 2.37 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to two equivalent N(1) and one H(1) atom. Both C(1)-N(1) bond lengths are 1.34 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(3) and one N(1) atom. The C(2)-C(3) bond length is 1.38 Å. The C(2)-N(1) bond length is 1.34 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to two equivalent C(2) and one H(2) atom. The C(3)-H(2) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(4)-O(1) bond length is 1.24 Å. The C(4)-O(2) bond length is 1.25 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to one Gd(1), one C(1), and one C(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. The N(2)-O(3) bond length is 1.26 Å. The N(2)-O(4) bond length is 1.29 Å. The N(2)-O(5) bond length is 1.21 Å. There are two 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(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Gd(1) and one C(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Gd(1) and one C(4) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Gd(1) and one N(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Gd(1) and one N(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one N(2) atom. Linkers: 6 [O]C(=O)c1cc(C([O])=O)ncn1. Metal clusters: 6 [Gd]. The MOF has largest included sphere 6.34 A, density 2.31 g/cm3, surface area 2431.80 m2/g, accessible volume 0.12 cm3/g