NdC9H12S2(NO2)4CH crystallizes in the monoclinic P2_1/c space group. The structure consists of four 02329_fluka molecules inside a NdC9H12S2(NO2)4 framework. In the NdC9H12S2(NO2)4 framework, Nd(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms. The Nd(1)-O(1) bond length is 2.48 Å. The Nd(1)-O(2) bond length is 2.52 Å. The Nd(1)-O(3) bond length is 2.37 Å. The Nd(1)-O(4) bond length is 2.46 Å. The Nd(1)-O(6) bond length is 2.56 Å. The Nd(1)-O(7) bond length is 2.50 Å. The Nd(1)-O(8) bond length is 2.71 Å. There is one shorter (2.48 Å) and one longer (2.63 Å) Nd(1)-O(5) bond length. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one S(1) atom. The C(1)-N(1) bond length is 1.36 Å. The C(1)-N(2) bond length is 1.37 Å. The C(1)-S(1) bond length is 1.68 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one N(2) and one O(1) atom. The C(2)-N(2) bond length is 1.40 Å. The C(2)-O(1) bond length is 1.28 Å. In the third C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(1) and one O(2) atom. The C(4)-N(1) bond length is 1.39 Å. The C(4)-O(2) bond length is 1.29 Å. In the fourth C site, C(5) is bonded in a distorted trigonal planar geometry to one N(3), one N(4), and one S(2) atom. The C(5)-N(3) bond length is 1.36 Å. The C(5)-N(4) bond length is 1.36 Å. The C(5)-S(2) bond length is 1.68 Å. In the fifth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(4) and one O(3) atom. The C(6)-N(4) bond length is 1.40 Å. The C(6)-O(3) bond length is 1.27 Å. In the sixth C site, C(7) is bonded in a distorted single-bond geometry to one C(8) and one H(6) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-H(6) bond length is 1.09 Å. In the seventh C site, C(8) is bonded in a distorted trigonal planar geometry to one C(7), one N(3), and one O(4) atom. The C(8)-N(3) bond length is 1.40 Å. The C(8)-O(4) bond length is 1.28 Å. In the eighth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one O(5), and one O(6) atom. The C(9)-C(10) bond length is 1.50 Å. The C(9)-O(5) bond length is 1.29 Å. The C(9)-O(6) bond length is 1.27 Å. In the ninth C site, C(10) is bonded in a trigonal non-coplanar geometry to one C(9), one H(7), one H(8), and one H(9) atom. The C(10)-H(7) bond length is 1.10 Å. The C(10)-H(8) bond length is 1.09 Å. The C(10)-H(9) bond length is 1.10 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one C(4), and one H(1) atom. The N(1)-H(1) bond length is 1.04 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(1), one C(2), and one H(2) atom. The N(2)-H(2) bond length is 1.04 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(5), one C(8), and one H(4) atom. The N(3)-H(4) bond length is 1.03 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(5), one C(6), and one H(5) atom. The N(4)-H(5) bond length is 1.04 Å. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(4) is bonded in a single-bond geometry to one N(3) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one N(4) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(10) is bonded in a distorted linear geometry to one O(2) and one O(7) atom. The H(10)-O(2) bond length is 1.58 Å. The H(10)-O(7) bond length is 1.01 Å. In the tenth H site, H(11) is bonded in a single-bond geometry to one O(7) atom. The H(11)-O(7) bond length is 0.98 Å. In the eleventh H site, H(12) is bonded in a single-bond geometry to one O(8) atom. The H(12)-O(8) bond length is 1.00 Å. In the twelfth H site, H(13) is bonded in a single-bond geometry to one O(8) atom. The H(13)-O(8) bond length is 0.98 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one C(1) atom. In the second S site, S(2) is bonded in a single-bond geometry to one C(5) atom. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one C(6) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Nd(1) and one C(8) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one C(9) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Nd(1) and one C(9) atom. In the fifth O site, O(7) is bonded in a water-like geometry to one Nd(1), one H(10), and one H(11) atom. In the sixth O site, O(8) is bonded in a water-like geometry to one Nd(1), one H(12), and one H(13) atom. In the seventh O site, O(1) is bonded in a distorted single-bond geometry to one Nd(1) and one C(2) atom. In the eighth O site, O(2) is bonded in a 3-coordinate geometry to one Nd(1), one C(4), and one H(10) atom. Linkers: 6 O=C1[CH]C(=O)NC(=S)N1. Metal clusters: 2 CC(=O)O[Nd]([O])([O])([O])[O].CC(=O)O[Nd]([O])([O])([O])[O].O.O.O.O. RCSR code: fsc. The MOF has largest included sphere 3.50 A, density 1.96 g/cm3, surface area 3173.71 m2/g, accessible volume 0.14 cm3/g