CdC4N9H5 crystallizes in the triclinic P-1 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted octahedral geometry to one N(11), one N(14), one N(17), one N(2), one N(25), and one N(6) atom. The Cd(1)-N(11) bond length is 2.33 Å. The Cd(1)-N(14) bond length is 2.48 Å. The Cd(1)-N(17) bond length is 2.30 Å. The Cd(1)-N(2) bond length is 2.55 Å. The Cd(1)-N(25) bond length is 2.31 Å. The Cd(1)-N(6) bond length is 2.37 Å. In the second Cd site, Cd(2) is bonded in a distorted octahedral geometry to one N(12), one N(15), one N(18), one N(26), one N(3), and one N(4) atom. The Cd(2)-N(12) bond length is 2.34 Å. The Cd(2)-N(15) bond length is 2.46 Å. The Cd(2)-N(18) bond length is 2.31 Å. The Cd(2)-N(26) bond length is 2.30 Å. The Cd(2)-N(3) bond length is 2.55 Å. The Cd(2)-N(4) bond length is 2.38 Å. In the third Cd site, Cd(3) is bonded in a distorted octahedral geometry to one N(1), one N(10), one N(13), one N(16), one N(27), and one N(5) atom. The Cd(3)-N(1) bond length is 2.55 Å. The Cd(3)-N(10) bond length is 2.34 Å. The Cd(3)-N(13) bond length is 2.48 Å. The Cd(3)-N(16) bond length is 2.31 Å. The Cd(3)-N(27) bond length is 2.31 Å. The Cd(3)-N(5) bond length is 2.38 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one C(7); one N(1); one H(1,3); and one H(4) atom. The C(1)-C(7) bond length is 1.49 Å. The C(1)-N(1) bond length is 1.47 Å. The C(1)-H(1,3) bond length is 1.10 Å. The C(1)-H(4) bond length is 1.10 Å. In the second C site, C(2) is bonded in a 3-coordinate geometry to one C(8), one N(2), one H(2), and one H(5) atom. The C(2)-C(8) bond length is 1.49 Å. The C(2)-N(2) bond length is 1.47 Å. The C(2)-H(2) bond length is 1.10 Å. The C(2)-H(5) bond length is 1.10 Å. In the third C site, C(3) is bonded in a 3-coordinate geometry to one C(9); one N(3); one H(1,3); and one H(6) atom. The C(3)-C(9) bond length is 1.49 Å. The C(3)-N(3) bond length is 1.47 Å. The C(3)-H(1,3) bond length is 1.10 Å. The C(3)-H(6) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one C(10), one N(1), one H(10), and one H(7) atom. The C(4)-C(10) bond length is 1.49 Å. The C(4)-N(1) bond length is 1.47 Å. The C(4)-H(10) bond length is 1.10 Å. The C(4)-H(7) bond length is 1.10 Å. In the fifth C site, C(5) is bonded in a distorted trigonal non-coplanar geometry to one C(11); one N(2); one H(11); and one H(8,9) atom. The C(5)-C(11) bond length is 1.49 Å. The C(5)-N(2) bond length is 1.47 Å. The C(5)-H(11) bond length is 1.10 Å. The C(5)-H(8,9) 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(12); one N(3); one H(12); and one H(8,9) atom. The C(6)-C(12) bond length is 1.49 Å. The C(6)-N(3) bond length is 1.47 Å. The C(6)-H(12) bond length is 1.10 Å. The C(6)-H(8,9) bond length is 1.10 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(1), one N(13), and one N(4) atom. The C(7)-N(13) bond length is 1.34 Å. The C(7)-N(4) bond length is 1.35 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(2), one N(14), and one N(5) atom. The C(8)-N(14) bond length is 1.34 Å. The C(8)-N(5) bond length is 1.35 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(3), one N(15), and one N(6) atom. The C(9)-N(15) bond length is 1.34 Å. The C(9)-N(6) bond length is 1.34 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(4), one N(16), and one N(25) atom. The C(10)-N(16) bond length is 1.34 Å. The C(10)-N(25) bond length is 1.34 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(5), one N(17), and one N(26) atom. The C(11)-N(17) bond length is 1.34 Å. The C(11)-N(26) bond length is 1.34 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(6), one N(18), and one N(27) atom. The C(12)-N(18) bond length is 1.34 Å. The C(12)-N(27) bond length is 1.34 Å. There are twenty-seven inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cd(3), one C(1), one C(4), and one H(13) atom. The N(1)-H(13) bond length is 1.02 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cd(1), one C(2), one C(5), and one H(14) atom. The N(2)-H(14) bond length is 1.02 Å. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Cd(2), one C(3), one C(6), and one H(15) atom. The N(3)-H(15) bond length is 1.02 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Cd(2), one C(7), and one N(7) atom. The N(4)-N(7) bond length is 1.35 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Cd(3), one C(8), and one N(8) atom. The N(5)-N(8) bond length is 1.34 Å. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Cd(1), one C(9), and one N(9) atom. The N(6)-N(9) bond length is 1.34 Å. In the seventh N site, N(7) is bonded in a water-like geometry to one N(10) and one N(4) atom. The N(7)-N(10) bond length is 1.31 Å. In the eighth N site, N(8) is bonded in a water-like geometry to one N(11) and one N(5) atom. The N(8)-N(11) bond length is 1.31 Å. In the ninth N site, N(9) is bonded in a water-like geometry to one N(12) and one N(6) atom. The N(9)-N(12) bond length is 1.31 Å. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one Cd(3), one N(13), and one N(7) atom. The N(10)-N(13) bond length is 1.35 Å. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one Cd(1), one N(14), and one N(8) atom. The N(11)-N(14) bond length is 1.35 Å. In the twelfth N site, N(12) is bonded in a distorted trigonal planar geometry to one Cd(2), one N(15), and one N(9) atom. The N(12)-N(15) bond length is 1.35 Å. In the thirteenth N site, N(13) is bonded in a 3-coordinate geometry to one Cd(3), one C(7), and one N(10) atom. In the fourteenth N site, N(14) is bonded in a 3-coordinate geometry to one Cd(1), one C(8), and one N(11) atom. In the fifteenth N site, N(15) is bonded in a 3-coordinate geometry to one Cd(2), one C(9), and one N(12) atom. In the sixteenth N site, N(16) is bonded in a 3-coordinate geometry to one Cd(3), one C(10), and one N(19) atom. The N(16)-N(19) bond length is 1.35 Å. In the seventeenth N site, N(17) is bonded in a 3-coordinate geometry to one Cd(1), one C(11), and one N(20) atom. The N(17)-N(20) bond length is 1.35 Å. In the eighteenth N site, N(18) is bonded in a 3-coordinate geometry to one Cd(2), one C(12), and one N(21) atom. The N(18)-N(21) bond length is 1.35 Å. In the nineteenth N site, N(19) is bonded in a water-like geometry to one N(16) and one N(22) atom. The N(19)-N(22) bond length is 1.31 Å. In the twentieth N site, N(20) is bonded in a water-like geometry to one N(17) and one N(23) atom. The N(20)-N(23) bond length is 1.31 Å. In the twenty-first N site, N(21) is bonded in a water-like geometry to one N(18) and one N(24) atom. The N(21)-N(24) bond length is 1.31 Å. In the twenty-second N site, N(22) is bonded in a water-like geometry to one N(19) and one N(25) atom. The N(22)-N(25) bond length is 1.36 Å. In the twenty-third N site, N(23) is bonded in a water-like geometry to one N(20) and one N(26) atom. The N(23)-N(26) bond length is 1.36 Å. In the twenty-fourth N site, N(24) is bonded in a water-like geometry to one N(21) and one N(27) atom. The N(24)-N(27) bond length is 1.36 Å. In the twenty-fifth N site, N(25) is bonded in a 3-coordinate geometry to one Cd(1), one C(10), and one N(22) atom. In the twenty-sixth N site, N(26) is bonded in a 3-coordinate geometry to one Cd(2), one C(11), and one N(23) atom. In the twenty-seventh N site, N(27) is bonded in a 3-coordinate geometry to one Cd(3), one C(12), and one N(24) atom. There are thirteen inequivalent H sites. In the first H site, H(1,3) 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(4) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(8,9) is bonded in a single-bond geometry to one C(5) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(4) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(5) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(6) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one N(1) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one N(2) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one N(3) atom. Linkers: 6 C(NCC1=NN=N[N]1)C1=NN=N[N]1. Metal clusters: 3 [NH][Cd]1[N][N][Cd]([NH])[N][N]1. The MOF has largest included sphere 4.97 A, density 1.98 g/cm3, surface area 3055.25 m2/g, accessible volume 0.18 cm3/g