Cd3C12N11H20O2Cl3 crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in an octahedral geometry to one N(5), two equivalent N(1), two equivalent O(1), and one Cl(1) atom. The Cd(1)-N(5) bond length is 2.33 Å. Both Cd(1)-N(1) bond lengths are 2.35 Å. Both Cd(1)-O(1) bond lengths are 2.37 Å. The Cd(1)-Cl(1) bond length is 2.60 Å. In the second Cd site, Cd(2) is bonded in a 5-coordinate geometry to one N(6), two equivalent N(3), one Cl(1), and one Cl(3) atom. The Cd(2)-N(6) bond length is 2.31 Å. Both Cd(2)-N(3) bond lengths are 2.24 Å. The Cd(2)-Cl(1) bond length is 2.83 Å. The Cd(2)-Cl(3) bond length is 2.66 Å. In the third Cd site, Cd(3) is bonded in a trigonal bipyramidal geometry to one N(4), two equivalent N(2), one Cl(2), and one Cl(3) atom. The Cd(3)-N(4) bond length is 2.36 Å. Both Cd(3)-N(2) bond lengths are 2.28 Å. The Cd(3)-Cl(2) bond length is 2.51 Å. The Cd(3)-Cl(3) bond length is 2.66 Å. There are seven inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(1) atom. The C(1)-N(1) bond length is 1.33 Å. The C(1)-N(3) bond length is 1.36 Å. The C(1)-H(1) bond length is 1.08 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(2) atom. The C(2)-N(2) bond length is 1.33 Å. The C(2)-N(3) bond length is 1.35 Å. The C(2)-H(2) bond length is 1.08 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(3) atom. The C(3)-N(4) bond length is 1.33 Å. The C(3)-N(6) bond length is 1.36 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(4) atom. The C(4)-N(5) bond length is 1.33 Å. The C(4)-N(6) bond length is 1.36 Å. The C(4)-H(4) bond length is 1.08 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(7), one H(11), and one O(1) atom. The C(5)-N(7) bond length is 1.34 Å. The C(5)-H(11) bond length is 1.10 Å. The C(5)-O(1) bond length is 1.26 Å. In the sixth C site, C(6) is bonded to one N(7), one H(5), one H(6), and one H(7) atom to form corner-sharing CH3N tetrahedra. The C(6)-N(7) bond length is 1.45 Å. The C(6)-H(5) bond length is 1.10 Å. The C(6)-H(6) bond length is 1.10 Å. The C(6)-H(7) bond length is 1.09 Å. In the seventh C site, C(7) is bonded to one N(7), one H(10), one H(8), and one H(9) atom to form corner-sharing CH3N tetrahedra. The C(7)-N(7) bond length is 1.46 Å. The C(7)-H(10) bond length is 1.10 Å. The C(7)-H(8) bond length is 1.10 Å. The C(7)-H(9) bond length is 1.10 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cd(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cd(3), one C(2), and one N(1) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(1), and one C(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cd(3), one C(3), and one N(5) atom. The N(4)-N(5) bond length is 1.37 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Cd(1), one C(4), and one N(4) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(3), and one C(4) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one C(5), one C(6), and one C(7) atom. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) 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(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(6) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(7) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(7) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(7) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(5) atom. O(1) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one C(5) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one Cd(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cd(3) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to one Cd(2) and one Cd(3) atom. Linkers: 2 C1=NN=C[N]1 ,3 [N]1=CN=NC=1 ,1 C1=NC=N[N]1. Metal clusters: 6 [Cd]. The MOF has largest included sphere 2.31 A, density 2.22 g/cm3, surface area 3672.19 m2/g, accessible volume 0.14 cm3/g