NdH9(C3O)6 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a distorted pentagonal pyramidal geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. Both Nd(1)-O(1) bond lengths are 2.40 Å. Both Nd(1)-O(3) bond lengths are 2.42 Å. Both Nd(1)-O(5) bond lengths are 2.39 Å. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. Both Nd(2)-O(2) bond lengths are 2.35 Å. Both Nd(2)-O(4) bond lengths are 2.39 Å. Both Nd(2)-O(6) bond lengths are 2.43 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(2) atom. The C(1)-C(10) bond length is 1.37 Å. The C(1)-C(11) bond length is 1.52 Å. The C(1)-C(2) bond length is 1.40 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(1) atom. The C(2)-H(1) bond length is 0.95 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(4) and one H(2,5) atom. The C(3)-C(4) bond length is 1.41 Å. The C(3)-H(2,5) bond length is 0.95 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(9) atom. The C(4)-C(5) bond length is 1.42 Å. The C(4)-C(9) bond length is 1.43 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(3) atom. The C(5)-C(6) bond length is 1.37 Å. The C(5)-H(3) bond length is 0.95 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(12), one C(5), and one C(7) atom. The C(6)-C(12) bond length is 1.52 Å. The C(6)-C(7) bond length is 1.41 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6) and one H(4) atom. The C(7)-H(4) bond length is 0.95 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(9) and one H(2,5) atom. The C(8)-C(9) bond length is 1.43 Å. The C(8)-H(2,5) bond length is 0.95 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(4), and one C(8) atom. The C(9)-C(10) bond length is 1.41 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(1), one C(9), and one H(6) atom. The C(10)-H(6) bond length is 0.95 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(11)-O(1) bond length is 1.25 Å. The C(11)-O(2) bond length is 1.25 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(3), and one O(4) atom. The C(12)-O(3) bond length is 1.25 Å. The C(12)-O(4) bond length is 1.26 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(14), one C(17), and one C(18) atom. The C(13)-C(14) bond length is 1.37 Å. The C(13)-C(17) bond length is 1.41 Å. The C(13)-C(18) bond length is 1.49 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(15), and one H(7) atom. The C(14)-C(15) bond length is 1.41 Å. The C(14)-H(7) bond length is 0.95 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(14), one C(15), and one C(16) atom. The C(15)-C(15) bond length is 1.43 Å. The C(15)-C(16) bond length is 1.42 Å. In the sixteenth C site, C(16) is bonded in a single-bond geometry to one C(15) and one H(8) atom. The C(16)-H(8) bond length is 0.95 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(13) and one H(9) atom. The C(17)-H(9) bond length is 0.95 Å. In the eighteenth C site, C(18) is bonded in a bent 120 degrees geometry to one C(13), one O(5), and one O(6) atom. The C(18)-O(5) bond length is 1.24 Å. The C(18)-O(6) bond length is 1.26 Å. There are eight 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(2,5) 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(7) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(16) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(17) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one C(11) atom. In the second O site, O(2) is bonded in a linear geometry to one Nd(2) and one C(11) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Nd(1) and one C(12) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Nd(2) and one C(12) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Nd(1) and one C(18) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Nd(2) and one C(18) atom. Linkers: 14 [O]C(=O)c1ccc2cc(C([O])=O)ccc2c1. Metal clusters: 8 [Nd]. The MOF has largest included sphere 8.86 A, density 1.17 g/cm3, surface area 3592.36 m2/g, accessible volume 0.48 cm3/g