CdC2N4H3Cl crystallizes in the tetragonal I-4 space group. There are six inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one N(1), one N(10), one N(15), one N(6), one Cl(1), and one Cl(6) atom to form corner-sharing CdN4Cl2 octahedra. The corner-sharing octahedral tilt angles range from 82-87°. The Cd(1)-N(1) bond length is 2.34 Å. The Cd(1)-N(10) bond length is 2.41 Å. The Cd(1)-N(15) bond length is 2.47 Å. The Cd(1)-N(6) bond length is 2.48 Å. The Cd(1)-Cl(1) bond length is 2.57 Å. The Cd(1)-Cl(6) bond length is 2.59 Å. In the second Cd site, Cd(2) is bonded to one N(24), one N(5), one N(8), one N(9), one Cl(1), and one Cl(2) atom to form corner-sharing CdN4Cl2 octahedra. The corner-sharing octahedral tilt angles range from 86-87°. The Cd(2)-N(24) bond length is 2.46 Å. The Cd(2)-N(5) bond length is 2.40 Å. The Cd(2)-N(8) bond length is 2.41 Å. The Cd(2)-N(9) bond length is 2.41 Å. The Cd(2)-Cl(1) bond length is 2.64 Å. The Cd(2)-Cl(2) bond length is 2.58 Å. In the third Cd site, Cd(3) is bonded to one N(16), one N(2), one N(23), one N(7), one Cl(2), and one Cl(3) atom to form corner-sharing CdN4Cl2 octahedra. The corner-sharing octahedral tilt angles range from 84-86°. The Cd(3)-N(16) bond length is 2.32 Å. The Cd(3)-N(2) bond length is 2.53 Å. The Cd(3)-N(23) bond length is 2.40 Å. The Cd(3)-N(7) bond length is 2.42 Å. The Cd(3)-Cl(2) bond length is 2.57 Å. The Cd(3)-Cl(3) bond length is 2.57 Å. In the fourth Cd site, Cd(4) is bonded to one N(13), one N(19), one N(22), one N(3), one Cl(3), and one Cl(4) atom to form corner-sharing CdN4Cl2 octahedra. The corner-sharing octahedral tilt angles range from 84-85°. The Cd(4)-N(13) bond length is 2.32 Å. The Cd(4)-N(19) bond length is 2.42 Å. The Cd(4)-N(22) bond length is 2.52 Å. The Cd(4)-N(3) bond length is 2.40 Å. The Cd(4)-Cl(3) bond length is 2.57 Å. The Cd(4)-Cl(4) bond length is 2.56 Å. In the fifth Cd site, Cd(5) is bonded to one N(12), one N(17), one N(20), one N(4), one Cl(4), and one Cl(5) atom to form corner-sharing CdN4Cl2 octahedra. The corner-sharing octahedral tilt angles range from 85-87°. The Cd(5)-N(12) bond length is 2.41 Å. The Cd(5)-N(17) bond length is 2.40 Å. The Cd(5)-N(20) bond length is 2.42 Å. The Cd(5)-N(4) bond length is 2.46 Å. The Cd(5)-Cl(4) bond length is 2.58 Å. The Cd(5)-Cl(5) bond length is 2.63 Å. In the sixth Cd site, Cd(6) is bonded to one N(11), one N(14), one N(18), one N(21), one Cl(5), and one Cl(6) atom to form corner-sharing CdN4Cl2 octahedra. The corner-sharing octahedral tilt angles range from 82-87°. The Cd(6)-N(11) bond length is 2.41 Å. The Cd(6)-N(14) bond length is 2.47 Å. The Cd(6)-N(18) bond length is 2.47 Å. The Cd(6)-N(21) bond length is 2.34 Å. The Cd(6)-Cl(5) bond length is 2.56 Å. The Cd(6)-Cl(6) bond length is 2.59 Å. There are eleven inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one N(4) atom. The C(1)-C(2) bond length is 1.48 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(4) bond length is 1.35 Å. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one H(1), one H(2), and one H(3) atom. The C(2)-H(1) bond length is 1.09 Å. The C(2)-H(2) bond length is 1.10 Å. The C(2)-H(3) bond length is 1.10 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(5), and one N(8) atom. The C(3)-C(4) bond length is 1.48 Å. The C(3)-N(5) bond length is 1.35 Å. The C(3)-N(8) bond length is 1.35 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one C(3), one H(4), one H(5), and one H(6) atom. The C(4)-H(4) bond length is 1.09 Å. The C(4)-H(5) bond length is 1.10 Å. The C(4)-H(6) bond length is 1.10 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(6,12); one N(12); and one N(9) atom. The C(5)-C(6,12) bond length is 1.48 Å. The C(5)-N(12) bond length is 1.35 Å. The C(5)-N(9) bond length is 1.35 Å. In the sixth C site, C(6,12) is bonded in a distorted trigonal non-coplanar geometry to one C(5), one H(7), one H(8), and one H(9) atom. The C(6,12)-H(7) bond length is 1.09 Å. The C(6,12)-H(8) bond length is 1.10 Å. The C(6,12)-H(9) bond length is 1.10 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(8), one N(13), and one N(16) atom. The C(7)-C(8) bond length is 1.48 Å. The C(7)-N(13) bond length is 1.35 Å. The C(7)-N(16) bond length is 1.35 Å. In the eighth C site, C(8) is bonded in a distorted trigonal non-coplanar geometry to one C(7), one H(10), one H(11), and one H(12) atom. The C(8)-H(10) bond length is 1.10 Å. The C(8)-H(11) bond length is 1.10 Å. The C(8)-H(12) bond length is 1.10 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one N(17), and one N(20) atom. The C(9)-C(10) bond length is 1.48 Å. The C(9)-N(17) bond length is 1.35 Å. The C(9)-N(20) bond length is 1.35 Å. In the tenth C site, C(10) is bonded in a distorted trigonal non-coplanar geometry to one C(9), one H(13), one H(14), and one H(15) atom. The C(10)-H(13) bond length is 1.10 Å. The C(10)-H(14) bond length is 1.10 Å. The C(10)-H(15) bond length is 1.10 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(6,12); one N(21); and one N(24) atom. The C(11)-C(6,12) bond length is 1.48 Å. The C(11)-N(21) bond length is 1.35 Å. The C(11)-N(24) bond length is 1.35 Å. There are twenty-four 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 1.34 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cd(3), one N(1), and one N(3) atom. The N(2)-N(3) bond length is 1.31 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cd(4), one N(2), and one N(4) atom. The N(3)-N(4) bond length is 1.34 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Cd(5), one C(1), and one N(3) atom. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Cd(2), one C(3), and one N(6) atom. The N(5)-N(6) bond length is 1.34 Å. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cd(1), one N(5), and one N(7) atom. The N(6)-N(7) bond length is 1.31 Å. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Cd(3), one N(6), and one N(8) atom. The N(7)-N(8) bond length is 1.34 Å. In the eighth N site, N(8) is bonded in a 3-coordinate geometry to one Cd(2), one C(3), and one N(7) atom. In the ninth N site, N(9) is bonded in a 3-coordinate geometry to one Cd(2), one C(5), and one N(10) atom. The N(9)-N(10) bond length is 1.34 Å. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Cd(1), one N(11), and one N(9) atom. The N(10)-N(11) bond length is 1.31 Å. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Cd(6), one N(10), and one N(12) atom. The N(11)-N(12) bond length is 1.34 Å. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one Cd(5), one C(5), and one N(11) atom. In the thirteenth N site, N(13) is bonded in a distorted trigonal planar geometry to one Cd(4), one C(7), and one N(14) atom. The N(13)-N(14) bond length is 1.34 Å. In the fourteenth N site, N(14) is bonded in a trigonal planar geometry to one Cd(6), one N(13), and one N(15) atom. The N(14)-N(15) bond length is 1.31 Å. In the fifteenth N site, N(15) is bonded in a trigonal planar geometry to one Cd(1), one N(14), and one N(16) atom. The N(15)-N(16) bond length is 1.34 Å. In the sixteenth N site, N(16) is bonded in a distorted trigonal planar geometry to one Cd(3), one C(7), and one N(15) atom. In the seventeenth N site, N(17) is bonded in a 3-coordinate geometry to one Cd(5), one C(9), and one N(18) atom. The N(17)-N(18) bond length is 1.34 Å. In the eighteenth N site, N(18) is bonded in a trigonal planar geometry to one Cd(6), one N(17), and one N(19) atom. The N(18)-N(19) bond length is 1.31 Å. In the nineteenth N site, N(19) is bonded in a trigonal planar geometry to one Cd(4), one N(18), and one N(20) atom. The N(19)-N(20) bond length is 1.34 Å. In the twentieth N site, N(20) is bonded in a 3-coordinate geometry to one Cd(5), one C(9), and one N(19) atom. In the twenty-first N site, N(21) is bonded in a 3-coordinate geometry to one Cd(6), one C(11), and one N(22) atom. The N(21)-N(22) bond length is 1.34 Å. In the twenty-second N site, N(22) is bonded in a trigonal planar geometry to one Cd(4), one N(21), and one N(23) atom. The N(22)-N(23) bond length is 1.31 Å. In the twenty-third N site, N(23) is bonded in a trigonal planar geometry to one Cd(3), one N(22), and one N(24) atom. The N(23)-N(24) bond length is 1.34 Å. In the twenty-fourth N site, N(24) is bonded in a 3-coordinate geometry to one Cd(2), one C(11), and one N(23) atom. There are eighteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) 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(2) 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(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(6,12) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(6,12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(6,12) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(8) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(8) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(8) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(10) 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(10) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(6,12) atom. The H(16)-C(6,12) bond length is 1.10 Å. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(6,12) atom. The H(17)-C(6,12) bond length is 1.10 Å. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(6,12) atom. The H(18)-C(6,12) bond length is 1.09 Å. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Cd(1) and one Cd(2) atom. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to one Cd(2) and one Cd(3) atom. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one Cd(3) and one Cd(4) atom. In the fourth Cl site, Cl(4) is bonded in an L-shaped geometry to one Cd(4) and one Cd(5) atom. In the fifth Cl site, Cl(5) is bonded in an L-shaped geometry to one Cd(5) and one Cd(6) atom. In the sixth Cl site, Cl(6) is bonded in a water-like geometry to one Cd(1) and one Cd(6) atom. Linkers: 24 CC1=NN=N[N]1. Metal clusters: 24 [Cd]. The MOF has largest included sphere 9.91 A, density 1.98 g/cm3, surface area 2924.12 m2/g, accessible volume 0.23 cm3/g