CdC7H6(NCl)2 crystallizes in the orthorhombic Pbca space group. Cd(1) is bonded to one N(1), one N(2), two equivalent Cl(1), and two equivalent Cl(2) atoms to form a mixture of edge and corner-sharing CdN2Cl4 octahedra. The corner-sharing octahedral tilt angles are 50°. The Cd(1)-N(1) bond length is 2.39 Å. The Cd(1)-N(2) bond length is 2.49 Å. There is one shorter (2.57 Å) and one longer (2.68 Å) Cd(1)-Cl(1) bond length. There is one shorter (2.57 Å) and one longer (2.67 Å) Cd(1)-Cl(2) bond length. There are seven inequivalent C sites. In the first C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(7) atom. The C(2)-C(1) bond length is 1.41 Å. The C(2)-C(5) bond length is 1.41 Å. The C(2)-C(7) bond length is 1.41 Å. In the second C site, C(6) is bonded in a distorted trigonal planar geometry to one C(3), one C(7), and one H(3) atom. The C(6)-C(3) bond length is 1.41 Å. The C(6)-C(7) bond length is 1.38 Å. The C(6)-H(3) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one N(2) atom. The C(3)-C(4) bond length is 1.41 Å. The C(3)-N(2) bond length is 1.40 Å. In the fourth C site, C(7) is bonded in a distorted trigonal planar 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 fifth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(1) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(1) bond length is 1.09 Å. In the sixth C site, C(1) is bonded in a distorted linear geometry to one C(2) and one N(1) atom. The C(1)-N(1) bond length is 1.17 Å. In the seventh C site, C(5) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(2) atom. The C(5)-H(2) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Cd(1) and one C(1) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cd(1), one C(3), one H(5), and one H(6) atom. The N(2)-H(5) bond length is 1.03 Å. The N(2)-H(6) bond length is 1.02 Å. There are six inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the second H site, H(1) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(5) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(2) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. In the sixth H site, H(3) is bonded in a single-bond geometry to one C(6) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to two equivalent Cd(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Cd(1) atoms. Linkers: 8 N#Cc1ccc(N)cc1. Metal clusters: 8 [Cd]. The MOF has largest included sphere 1.57 A, density 2.24 g/cm3, surface area 3567.46 m2/g, accessible volume 0.08 cm3/g