NdCuC12H4(NO5)2(CH)3 crystallizes in the triclinic P-1 space group. The structure consists of six 02329_fluka molecules inside a NdCuC12H4(NO5)2 framework. In the NdCuC12H4(NO5)2 framework, Nd(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. The Nd(1)-O(1) bond length is 2.50 Å. The Nd(1)-O(10) bond length is 2.49 Å. The Nd(1)-O(4) bond length is 2.55 Å. The Nd(1)-O(5) bond length is 2.42 Å. The Nd(1)-O(6) bond length is 2.55 Å. The Nd(1)-O(8) bond length is 2.48 Å. The Nd(1)-O(9) bond length is 2.46 Å. Cu(1) is bonded in a square pyramidal geometry to one N(1), one N(2), one O(2), one O(3), and one O(7) atom. The Cu(1)-N(1) bond length is 1.96 Å. The Cu(1)-N(2) bond length is 1.98 Å. The Cu(1)-O(2) bond length is 1.96 Å. The Cu(1)-O(3) bond length is 1.96 Å. The Cu(1)-O(7) bond length is 2.28 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(8) atom. The C(1)-O(1) bond length is 1.26 Å. The C(1)-O(8) bond length is 1.25 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(12), one C(3), and one N(1) atom. The C(2)-C(12) bond length is 1.40 Å. The C(2)-C(3) bond length is 1.50 Å. The C(2)-N(1) bond length is 1.35 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(9), and one N(2) atom. The C(3)-C(9) bond length is 1.39 Å. The C(3)-N(2) bond length is 1.34 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. The C(4)-O(3) bond length is 1.27 Å. The C(4)-O(4) bond length is 1.24 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(6) atom. The C(5)-O(2) bond length is 1.27 Å. The C(5)-O(6) bond length is 1.23 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(6)-N(1) bond length is 1.34 Å. The C(6)-H(1) bond length is 0.93 Å. In the seventh C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(3) atom. The C(8)-N(2) bond length is 1.34 Å. The C(8)-H(3) bond length is 0.93 Å. In the eighth C site, C(9) is bonded in a distorted single-bond geometry to one C(3) and one H(4) atom. The C(9)-H(4) bond length is 0.93 Å. In the ninth C site, C(12) is bonded in a trigonal planar geometry to one C(13), one C(14), and one C(2) atom. The C(12)-C(13) bond length is 1.52 Å. The C(12)-C(14) bond length is 1.39 Å. In the tenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(5), and one O(7) atom. The C(13)-O(5) bond length is 1.24 Å. The C(13)-O(7) bond length is 1.24 Å. In the eleventh C site, C(14) is bonded in a distorted single-bond geometry to one C(12) and one H(7) atom. The C(14)-H(7) bond length is 0.93 Å. In the twelfth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(9) atom. The C(15)-O(10) bond length is 1.25 Å. The C(15)-O(9) bond length is 1.26 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(2), and one C(6) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(3), and one C(8) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(6) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(8) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(14) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one C(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Cu(1) and one C(5) atom. In the third O site, O(3) is bonded in a water-like geometry to one Cu(1) and one C(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Nd(1) and one C(13) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Nd(1) and one C(5) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one C(13) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one C(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one C(15) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Nd(1) and one C(15) atom. Linkers: 2 [O]C(=O)c1cccnc1-c1ccccn1 ,3 [O]C(=O)C([O])=O. Metal clusters: 2 [Nd] ,2 [Cu]. The MOF has largest included sphere 4.57 A, density 1.85 g/cm3, surface area 3115.98 m2/g, accessible volume 0.19 cm3/g