CdC6H6(NO)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing CdN2O4 octahedra. The corner-sharing octahedral tilt angles are 63°. Both Cd(1)-N(1) bond lengths are 2.29 Å. Both Cd(1)-O(1) bond lengths are 2.30 Å. Both Cd(1)-O(3) bond lengths are 2.43 Å. In the second Cd site, Cd(2) is bonded to two equivalent N(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing CdN2O4 octahedra. The corner-sharing octahedral tilt angles are 63°. Both Cd(2)-N(1) bond lengths are 2.36 Å. Both Cd(2)-O(2) bond lengths are 2.29 Å. Both Cd(2)-O(4) bond lengths are 2.32 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(4), and one H(3) atom. The C(1)-C(2) bond length is 1.38 Å. The C(1)-N(4) bond length is 1.36 Å. The C(1)-H(3) bond length is 1.09 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(4) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(4) bond length is 1.09 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(6) bond length is 1.51 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(5) atom. The C(4)-C(5) bond length is 1.38 Å. The C(4)-H(5) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(4), and one H(6) atom. The C(5)-N(4) bond length is 1.36 Å. The C(5)-H(6) bond length is 1.08 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(1), and one O(2) atom. The C(6)-O(1) bond length is 1.27 Å. The C(6)-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 trigonal planar geometry to one Cd(1), one Cd(2), and one N(2) atom. The N(1)-N(2) bond length is 1.20 Å. In the second N site, N(2) is bonded in a linear geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.17 Å. In the third N site, N(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(1), one C(5), and one O(3) atom. The N(4)-O(3) bond length is 1.33 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(3) and one O(4) atom. The H(1)-O(3) bond length is 1.69 Å. The H(1)-O(4) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. The H(2)-O(4) bond length is 0.98 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(5) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one C(6) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cd(2) and one C(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cd(1), one N(4), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Cd(2), one H(1), and one H(2) atom. Linkers: 2 [O]C(=O)c1cc[n+]([O-])cc1. Metal clusters: 2 [Cd]. The MOF has largest included sphere 1.96 A, density 2.23 g/cm3, surface area 3406.10 m2/g, accessible volume 0.10 cm3/g