Ce2C21H9(NO4)3 crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms. The Ce(1)-O(2) bond length is 2.55 Å. The Ce(1)-O(3) bond length is 2.39 Å. The Ce(1)-O(4) bond length is 2.46 Å. The Ce(1)-O(6) bond length is 2.45 Å. There is one shorter (2.57 Å) and one longer (2.80 Å) Ce(1)-O(1) bond length. There is one shorter (2.53 Å) and one longer (2.73 Å) Ce(1)-O(5) bond length. There are eleven inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(1), and one O(4) atom. The C(1)-C(7) bond length is 1.48 Å. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(4) bond length is 1.25 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(10), one C(3), and one C(5) atom. The C(2)-C(10) bond length is 1.40 Å. The C(2)-C(3) bond length is 1.38 Å. The C(2)-C(5) bond length is 1.51 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(3)-N(1) bond length is 1.33 Å. The C(3)-H(1) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(3), and one O(6) atom. The C(4)-C(8) bond length is 1.50 Å. The C(4)-O(3) bond length is 1.26 Å. The C(4)-O(6) bond length is 1.25 Å. In the fifth C site, C(5) is bonded in a bent 120 degrees geometry to one C(2), one O(2), and one O(5) atom. The C(5)-O(2) bond length is 1.26 Å. The C(5)-O(5) bond length is 1.27 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(8), one N(1), and one H(2) atom. The C(6)-C(8) bond length is 1.39 Å. The C(6)-N(1) bond length is 1.34 Å. The C(6)-H(2) bond length is 0.95 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(1), one C(11), and one C(9) atom. The C(7)-C(11) bond length is 1.39 Å. The C(7)-C(9) bond length is 1.39 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(10), one C(4), and one C(6) atom. The C(8)-C(10) bond length is 1.38 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(7), one N(2), and one H(3) atom. The C(9)-N(2) bond length is 1.34 Å. The C(9)-H(3) bond length is 0.95 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(2), one C(8), and one H(4) atom. The C(10)-H(4) bond length is 0.95 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to two equivalent C(7) and one H(5) atom. The C(11)-H(5) bond length is 0.95 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(3) and one C(6) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to two equivalent C(9) atoms. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(10) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(11) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ce(1) and one C(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ce(1) and one C(4) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Ce(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one C(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ce(1) and one C(4) atom. Linkers: 12 [O]C(=O)c1cncc(C([O])=O)c1. Metal clusters: 8 [Ce]. The MOF has largest included sphere 8.34 A, density 1.34 g/cm3, surface area 2894.17 m2/g, accessible volume 0.43 cm3/g