CdC3N8H2 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in an octahedral geometry to one N(13), one N(17), one N(21), one N(25), one N(28), and one N(5) atom. The Cd(1)-N(13) bond length is 2.34 Å. The Cd(1)-N(17) bond length is 2.35 Å. The Cd(1)-N(21) bond length is 2.34 Å. The Cd(1)-N(25) bond length is 2.56 Å. The Cd(1)-N(28) bond length is 2.37 Å. The Cd(1)-N(5) bond length is 2.32 Å. In the second Cd site, Cd(2) is bonded in a square pyramidal geometry to one N(1), one N(10), one N(23), one N(8), and one N(9) atom. The Cd(2)-N(1) bond length is 2.26 Å. The Cd(2)-N(10) bond length is 2.28 Å. The Cd(2)-N(23) bond length is 2.44 Å. The Cd(2)-N(8) bond length is 2.28 Å. The Cd(2)-N(9) bond length is 2.37 Å. In the third Cd site, Cd(3) is bonded in an octahedral geometry to one N(14), one N(18), one N(26), one N(27), one N(32), and one N(6) atom. The Cd(3)-N(14) bond length is 2.42 Å. The Cd(3)-N(18) bond length is 2.28 Å. The Cd(3)-N(26) bond length is 2.32 Å. The Cd(3)-N(27) bond length is 2.37 Å. The Cd(3)-N(32) bond length is 2.30 Å. The Cd(3)-N(6) bond length is 2.35 Å. In the fourth Cd site, Cd(4) is bonded in a square pyramidal geometry to one N(15), one N(19), one N(24), one N(31), and one N(4) atom. The Cd(4)-N(15) bond length is 2.36 Å. The Cd(4)-N(19) bond length is 2.36 Å. The Cd(4)-N(24) bond length is 2.32 Å. The Cd(4)-N(31) bond length is 2.34 Å. The Cd(4)-N(4) bond length is 2.31 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one C(6), one N(3), and one N(4) atom. The C(1)-C(6) bond length is 1.64 Å. The C(1)-N(3) bond length is 1.42 Å. The C(1)-N(4) bond length is 1.42 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(5), and one N(8) atom. The C(2)-C(3) bond length is 1.48 Å. The C(2)-N(5) bond length is 1.36 Å. The C(2)-N(8) bond length is 1.34 Å. In the third C site, C(3) is bonded in a water-like geometry to one C(2), one C(4), one H(1), and one H(2) atom. The C(3)-C(4) bond length is 1.48 Å. The C(3)-H(1) bond length is 0.97 Å. The C(3)-H(2) bond length is 0.97 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one N(12), and one N(9) atom. The C(4)-N(12) bond length is 1.30 Å. The C(4)-N(9) bond length is 1.33 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(6), one N(15), and one N(16) atom. The C(5)-C(6) bond length is 1.56 Å. The C(5)-N(15) bond length is 1.29 Å. The C(5)-N(16) bond length is 1.32 Å. In the sixth C site, C(6) is bonded in a water-like geometry to one C(1), one C(5), one H(3), and one H(4) atom. The C(6)-H(3) bond length is 0.97 Å. The C(6)-H(4) bond length is 0.97 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(8), one N(26), and one N(28) atom. The C(7)-C(8) bond length is 1.51 Å. The C(7)-N(26) bond length is 1.31 Å. The C(7)-N(28) bond length is 1.34 Å. In the eighth C site, C(8) is bonded in a water-like geometry to one C(7), one C(9), one H(5), and one H(6) atom. The C(8)-C(9) bond length is 1.52 Å. The C(8)-H(5) bond length is 0.97 Å. The C(8)-H(6) bond length is 0.97 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(8), one N(29), and one N(32) atom. The C(9)-N(29) bond length is 1.32 Å. The C(9)-N(32) bond length is 1.35 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one N(19), and one N(20) atom. The C(10)-C(11) bond length is 1.48 Å. The C(10)-N(19) bond length is 1.34 Å. The C(10)-N(20) bond length is 1.35 Å. In the eleventh C site, C(11) is bonded in a water-like geometry to one C(10); one C(12); and two equivalent H(7,8) atoms. The C(11)-C(12) bond length is 1.52 Å. Both C(11)-H(7,8) bond lengths are 0.97 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one N(21), and one N(24) atom. The C(12)-N(21) bond length is 1.33 Å. The C(12)-N(24) bond length is 1.33 Å. There are thirty-two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cd(2), one N(2), and one N(4) atom. The N(1)-N(2) bond length is 1.42 Å. The N(1)-N(4) bond length is 1.42 Å. In the second N site, N(2) is bonded in a water-like geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.42 Å. In the third N site, N(3) is bonded in a distorted water-like geometry to one C(1) and one N(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cd(4), one C(1), and one N(1) atom. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Cd(1), one C(2), and one N(6) atom. The N(5)-N(6) bond length is 1.31 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cd(3), one N(5), and one N(7) atom. The N(6)-N(7) bond length is 1.29 Å. In the seventh N site, N(7) is bonded in a water-like geometry to one N(6) and one N(8) atom. The N(7)-N(8) bond length is 1.33 Å. In the eighth N site, N(8) is bonded in a 3-coordinate geometry to one Cd(2), one C(2), 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(4), and one N(10) atom. The N(9)-N(10) bond length is 1.38 Å. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one Cd(2), one N(11), and one N(9) atom. The N(10)-N(11) bond length is 1.36 Å. In the eleventh N site, N(11) is bonded in a water-like geometry to one N(10) and one N(12) atom. The N(11)-N(12) bond length is 1.28 Å. In the twelfth N site, N(12) is bonded in a distorted water-like geometry to one C(4) and one N(11) atom. In the thirteenth N site, N(13) is bonded in a distorted trigonal planar geometry to one Cd(1), one N(14), and one N(16) atom. The N(13)-N(14) bond length is 1.29 Å. The N(13)-N(16) bond length is 1.34 Å. In the fourteenth N site, N(14) is bonded in a distorted trigonal planar geometry to one Cd(3), 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 3-coordinate geometry to one Cd(4), one C(5), and one N(14) atom. In the sixteenth N site, N(16) is bonded in a water-like geometry to one C(5) and one N(13) atom. In the seventeenth N site, N(17) is bonded in a trigonal planar geometry to one Cd(1), one N(18), and one N(20) atom. The N(17)-N(18) bond length is 1.29 Å. The N(17)-N(20) bond length is 1.32 Å. In the eighteenth N site, N(18) is bonded in a distorted trigonal planar geometry to one Cd(3), one N(17), and one N(19) atom. The N(18)-N(19) bond length is 1.34 Å. In the nineteenth N site, N(19) is bonded in a 3-coordinate geometry to one Cd(4), one C(10), and one N(18) atom. In the twentieth N site, N(20) is bonded in a water-like geometry to one C(10) and one N(17) atom. In the twenty-first N site, N(21) is bonded in a 3-coordinate geometry to one Cd(1), one C(12), and one N(22) atom. The N(21)-N(22) bond length is 1.39 Å. In the twenty-second N site, N(22) is bonded in a water-like geometry to one N(21) and one N(23) atom. The N(22)-N(23) bond length is 1.29 Å. In the twenty-third N site, N(23) is bonded in a trigonal planar geometry to one Cd(2), one N(22), and one N(24) atom. The N(23)-N(24) bond length is 1.36 Å. In the twenty-fourth N site, N(24) is bonded in a distorted trigonal planar geometry to one Cd(4), one C(12), and one N(23) atom. In the twenty-fifth N site, N(25) is bonded in a trigonal planar geometry to one Cd(1), one N(26), and one N(27) atom. The N(25)-N(26) bond length is 1.33 Å. The N(25)-N(27) bond length is 1.30 Å. In the twenty-sixth N site, N(26) is bonded in a distorted trigonal planar geometry to one Cd(3), one C(7), and one N(25) atom. In the twenty-seventh N site, N(27) is bonded in a distorted trigonal planar geometry to one Cd(3), one N(25), and one N(28) atom. The N(27)-N(28) bond length is 1.34 Å. In the twenty-eighth N site, N(28) is bonded in a 3-coordinate geometry to one Cd(1), one C(7), and one N(27) atom. In the twenty-ninth N site, N(29) is bonded in a distorted water-like geometry to one C(9) and one N(30) atom. The N(29)-N(30) bond length is 1.38 Å. In the thirtieth N site, N(30) is bonded in a water-like geometry to one N(29) and one N(31) atom. The N(30)-N(31) bond length is 1.32 Å. In the thirty-first N site, N(31) is bonded in a trigonal planar geometry to one Cd(4), one N(30), and one N(32) atom. The N(31)-N(32) bond length is 1.32 Å. In the thirty-second N site, N(32) is bonded in a distorted trigonal planar geometry to one Cd(3), one C(9), and one N(31) atom. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the seventh H site, H(7,8) is bonded in a single-bond geometry to one C(11) atom. Linkers: 9 C(C1=NN=N[N]1)C1=N[N]N=N1 ,7 C(C1=NN=N[N]1)C1=NN=N[N]1. Metal clusters: 16 [Cd]. The MOF has largest included sphere 5.60 A, density 2.07 g/cm3, surface area 2829.75 m2/g, accessible volume 0.21 cm3/g