Nd2C18H6(SO4)3 crystallizes in the monoclinic P2/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(2), one O(5), one O(6), and two equivalent O(12) atoms. The Nd(1)-O(1) bond length is 2.61 Å. The Nd(1)-O(11) bond length is 2.52 Å. The Nd(1)-O(2) bond length is 2.50 Å. The Nd(1)-O(5) bond length is 2.43 Å. The Nd(1)-O(6) bond length is 2.45 Å. There is one shorter (2.44 Å) and one longer (2.76 Å) Nd(1)-O(12) bond length. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(10), one O(3), one O(4), one O(8), one O(9), and two equivalent O(7) atoms. The Nd(2)-O(10) bond length is 2.44 Å. The Nd(2)-O(3) bond length is 2.54 Å. The Nd(2)-O(4) bond length is 2.55 Å. The Nd(2)-O(8) bond length is 2.48 Å. The Nd(2)-O(9) bond length is 2.43 Å. There is one shorter (2.43 Å) and one longer (2.79 Å) Nd(2)-O(7) bond length. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(5), and one S(1) atom. The C(1)-C(2) bond length is 1.35 Å. The C(1)-C(5) bond length is 1.49 Å. The C(1)-S(1) bond length is 1.70 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.41 Å. The C(2)-H(1) bond length is 0.93 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(2) atom. The C(3)-C(4) bond length is 1.35 Å. The C(3)-H(2) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(6), and one S(1) atom. The C(4)-C(6) bond length is 1.47 Å. The C(4)-S(1) bond length is 1.71 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(5)-O(1) bond length is 1.25 Å. The C(5)-O(2) bond length is 1.26 Å. In the sixth C site, C(6) is bonded in a bent 120 degrees geometry to one C(4), one O(3), and one O(4) atom. The C(6)-O(3) bond length is 1.26 Å. The C(6)-O(4) bond length is 1.27 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(11), one C(8), and one S(2) atom. The C(7)-C(11) bond length is 1.51 Å. The C(7)-C(8) bond length is 1.36 Å. The C(7)-S(2) bond length is 1.70 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7) and one H(3) atom. The C(8)-H(3) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(10) and one H(4) atom. The C(9)-C(10) bond length is 1.35 Å. The C(9)-H(4) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(12), one C(9), and one S(2) atom. The C(10)-C(12) bond length is 1.47 Å. The C(10)-S(2) bond length is 1.73 Å. In the eleventh C site, C(11) is bonded in a bent 120 degrees geometry to one C(7), one O(5), and one O(6) atom. The C(11)-O(5) bond length is 1.25 Å. The C(11)-O(6) bond length is 1.26 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(7), and one O(8) atom. The C(12)-O(7) bond length is 1.26 Å. The C(12)-O(8) 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 S(3) atom. The C(13)-C(14) bond length is 1.36 Å. The C(13)-C(17) bond length is 1.50 Å. The C(13)-S(3) bond length is 1.70 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(5) atom. The C(14)-H(5) bond length is 0.93 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(16) and one H(6) atom. The C(15)-C(16) bond length is 1.37 Å. The C(15)-H(6) bond length is 0.93 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(18), and one S(3) atom. The C(16)-C(18) bond length is 1.49 Å. The C(16)-S(3) bond length is 1.71 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(10), and one O(9) atom. The C(17)-O(10) bond length is 1.26 Å. The C(17)-O(9) bond length is 1.25 Å. In the eighteenth C site, C(18) is bonded in a bent 120 degrees geometry to one C(16), one O(11), and one O(12) atom. The C(18)-O(11) bond length is 1.25 Å. The C(18)-O(12) bond length is 1.26 Å. There are six 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) 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(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(14) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(15) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one C(1) and one C(4) atom. In the second S site, S(2) is bonded in an L-shaped geometry to one C(10) and one C(7) atom. In the third S site, S(3) is bonded in an L-shaped geometry to one C(13) and one C(16) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Nd(1) and one C(5) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Nd(1) and one C(5) atom. In the third O site, O(3) is bonded in a distorted L-shaped geometry to one Nd(2) and one C(6) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Nd(2) and one C(6) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one C(11) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one C(11) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Nd(2) and one C(12) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Nd(2) and one C(12) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Nd(2) and one C(17) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Nd(2) and one C(17) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Nd(1) and one C(18) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one C(18) atom. Linkers: 12 [O]C(=O)c1ccc(C([O])=O)s1. Metal clusters: 4 [C]1O[Nd]234(O1)O[C]O[Nd]1(O[C]O1)(O[C]O2)(O[C]O3)O[C]O4. RCSR code: rob. The MOF has largest included sphere 6.86 A, density 1.03 g/cm3, surface area 3077.17 m2/g, accessible volume 0.73 cm3/g