Cd2C12N3H16OCl5 crystallizes in the triclinic P-1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one N(3), one Cl(1), one Cl(3), one Cl(4), and two equivalent Cl(2) atoms to form CdNCl5 octahedra that share  an edgeedge with one Cd(1)NCl5 octahedra and edges with two equivalent Cd(2)NCl4O octahedra. The Cd(1)-N(3) bond length is 2.39 Å. The Cd(1)-Cl(1) bond length is 2.77 Å. The Cd(1)-Cl(3) bond length is 2.61 Å. The Cd(1)-Cl(4) bond length is 2.63 Å. There is one shorter (2.65 Å) and one longer (2.80 Å) Cd(1)-Cl(2) bond length. In the second Cd site, Cd(2) is bonded to one N(1), one O(1), one Cl(1), one Cl(2), one Cl(4), and one Cl(5) atom to form edge-sharing CdNCl4O octahedra. The Cd(2)-N(1) bond length is 2.37 Å. The Cd(2)-O(1) bond length is 2.42 Å. The Cd(2)-Cl(1) bond length is 2.56 Å. The Cd(2)-Cl(2) bond length is 2.85 Å. The Cd(2)-Cl(4) bond length is 2.60 Å. The Cd(2)-Cl(5) bond length is 2.57 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(5), and one C(6) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(5) bond length is 1.40 Å. The C(1)-C(6) bond length is 1.50 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one N(1), and one H(5) atom. The C(2)-N(1) bond length is 1.34 Å. The C(2)-H(5) 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 N(1), and one H(6) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-N(1) bond length is 1.34 Å. The C(3)-H(6) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(7) atom. The C(4)-H(7) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(1) and one H(8) atom. The C(5)-H(8) bond length is 1.10 Å. In the sixth C site, C(6) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one N(2), one H(10), and one H(9) atom. The C(6)-N(2) bond length is 1.51 Å. The C(6)-H(10) bond length is 1.10 Å. The C(6)-H(9) bond length is 1.10 Å. In the seventh C site, C(7) is bonded in a distorted trigonal non-coplanar geometry to one C(8), one N(2), one H(11), and one H(12) atom. The C(7)-C(8) bond length is 1.50 Å. The C(7)-N(2) bond length is 1.51 Å. The C(7)-H(11) bond length is 1.10 Å. The C(7)-H(12) bond length is 1.10 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(12), one C(7), and one C(9) atom. The C(8)-C(12) bond length is 1.40 Å. The C(8)-C(9) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(8), one N(3), and one H(13) atom. The C(9)-N(3) bond length is 1.35 Å. The C(9)-H(13) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(11), one N(3), and one H(14) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-N(3) bond length is 1.35 Å. The C(10)-H(14) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one C(12), and one H(15) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-H(15) bond length is 1.08 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(8), and one H(16) atom. The C(12)-H(16) bond length is 1.09 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cd(2), one C(2), and one C(3) atom. In the second N site, N(2) is bonded in a distorted tetrahedral geometry to one C(6), one C(7), one H(3), and one H(4) atom. The N(2)-H(3) bond length is 1.03 Å. The N(2)-H(4) bond length is 1.06 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(10), and one C(9) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one Cl(5) atom. The H(1)-O(1) bond length is 0.99 Å. The H(1)-Cl(5) bond length is 2.10 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. The H(2)-O(1) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) and one Cl(3) atom. The H(4)-Cl(3) bond length is 2.05 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(5) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(6) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(6) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(7) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(7) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(9) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(10) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(11) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(12) atom. O(1) is bonded in a distorted water-like geometry to one Cd(2), one H(1), and one H(2) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one Cd(1) and one Cd(2) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Cd(2) and two equivalent Cd(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one H(4) atom. In the fourth Cl site, Cl(4) is bonded in a water-like geometry to one Cd(1) and one Cd(2) atom. In the fifth Cl site, Cl(5) is bonded in a distorted bent 120 degrees geometry to one Cd(2) and one H(1) atom. Linkers: 2 c1ccc(cn1)C[NH2]Cc1cccnc1. Metal clusters: 1 Cl[Cd](Cl)Cl.Cl[Cd](Cl)Cl.Cl[Cd]Cl.Cl[Cd]Cl.O.O. The MOF has largest included sphere 1.97 A, density 2.20 g/cm3, surface area 3476.81 m2/g, accessible volume 0.10 cm3/g