NdCuC16H16(NO)8 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Nd(1)-O(1) bond lengths are 2.42 Å. Both Nd(1)-O(2) bond lengths are 2.40 Å. Both Nd(1)-O(3) bond lengths are 2.59 Å. Both Nd(1)-O(4) bond lengths are 2.50 Å. Cu(1) is bonded in a linear geometry to two equivalent N(2) atoms. Both Cu(1)-N(2) bond lengths are 1.87 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted water-like geometry to one C(2), one N(1), and one N(4) atom. The C(1)-C(2) bond length is 1.46 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(4) bond length is 1.36 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.41 Å. The C(2)-C(7) bond length is 1.40 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(3) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(2) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(2) bond length is 1.09 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(1) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-H(1) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(5), one C(7), and one C(8) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-C(8) bond length is 1.50 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(4) atom. The C(7)-H(4) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(1), and one O(2) atom. The C(8)-O(1) bond length is 1.27 Å. The C(8)-O(2) bond length is 1.27 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one C(1) and one N(2) atom. The N(1)-N(2) bond length is 1.34 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one N(1), and one N(3) atom. The N(2)-N(3) bond length is 1.33 Å. In the third N site, N(3) is bonded in a 3-coordinate geometry to one N(2), one N(4), and one H(5) atom. The N(3)-N(4) bond length is 1.33 Å. The N(3)-H(5) bond length is 1.82 Å. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one C(1) and one N(3) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) 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(5) is bonded in a single-bond geometry to one N(3) and one O(3) atom. The H(5)-O(3) bond length is 1.00 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(3) atom. The H(6)-O(3) bond length is 1.00 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(4) atom. The H(7)-O(4) bond length is 0.99 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(4) atom. The H(8)-O(4) bond length is 1.00 Å. There are four 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(8) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Nd(1) and one C(8) atom. In the third O site, O(3) is bonded in a water-like geometry to one Nd(1), one H(5), and one H(6) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Nd(1), one H(7), and one H(8) atom. Linkers: 4 [O]C(=O)c1cccc(C2=NN=N[N]2)c1. Metal clusters: 2 [Nd] ,2 [Cu]. The MOF has largest included sphere 2.77 A, density 2.16 g/cm3, surface area 3256.96 m2/g, accessible volume 0.07 cm3/g