ZnC22H20(N3O2)2 is Indium-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four ZnC22H20(N3O2)2 clusters. Zn(1) is bonded in a 5-coordinate geometry to one N(1), one N(4), one O(1), one O(3), and one O(4) atom. The Zn(1)-N(1) bond length is 2.04 Å. The Zn(1)-N(4) bond length is 2.08 Å. The Zn(1)-O(1) bond length is 1.95 Å. The Zn(1)-O(3) bond length is 2.01 Å. The Zn(1)-O(4) bond length is 2.50 Å. There are twenty-two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.51 Å. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.24 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-C(7) bond length is 1.39 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(1) atom. The C(3)-H(1) bond length is 0.94 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(2) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(2) bond length is 0.94 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one N(3) atom. The C(5)-C(6) bond length is 1.38 Å. The C(5)-N(3) bond length is 1.44 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5) and one H(3) atom. The C(6)-H(3) bond length is 0.94 Å. In the seventh C site, C(7) is bonded in a single-bond geometry to one C(2) and one H(4) atom. The C(7)-H(4) bond length is 0.94 Å. In the eighth C site, C(8) is bonded in a trigonal non-coplanar geometry to one C(9) and three equivalent H(5,6,7) atoms. The C(8)-C(9) bond length is 1.49 Å. All C(8)-H(5,6,7) bond lengths are 0.97 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(8), one N(1), and one N(3) atom. The C(9)-N(1) bond length is 1.32 Å. The C(9)-N(3) bond length is 1.36 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one N(2), and one N(3) atom. The C(10)-C(11) bond length is 1.49 Å. The C(10)-N(2) bond length is 1.30 Å. The C(10)-N(3) bond length is 1.37 Å. In the eleventh C site, C(11) is bonded in a trigonal non-coplanar geometry to one C(10) and three equivalent H(8,9,10) atoms. All C(11)-H(8,9,10) bond lengths are 0.97 Å. In the twelfth C site, C(12) is bonded in a bent 120 degrees geometry to one C(13), one O(3), and one O(4) atom. The C(12)-C(13) bond length is 1.52 Å. The C(12)-O(3) bond length is 1.28 Å. The C(12)-O(4) bond length is 1.24 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(18) atom. The C(13)-C(14) bond length is 1.38 Å. The C(13)-C(18) bond length is 1.38 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(11) atom. The C(14)-H(11) bond length is 0.94 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(16) and one H(12) atom. The C(15)-C(16) bond length is 1.38 Å. The C(15)-H(12) bond length is 0.94 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(15), one C(17), and one N(6) atom. The C(16)-C(17) bond length is 1.38 Å. The C(16)-N(6) bond length is 1.44 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(16) and one H(13) atom. The C(17)-H(13) bond length is 0.94 Å. In the eighteenth C site, C(18) is bonded in a single-bond geometry to one C(13) and one H(14) atom. The C(18)-H(14) bond length is 0.94 Å. In the nineteenth C site, C(19) is bonded in a trigonal non-coplanar geometry to one C(20), one H(15), one H(16), and one H(17) atom. The C(19)-C(20) bond length is 1.49 Å. The C(19)-H(15) bond length is 0.97 Å. The C(19)-H(16) bond length is 0.97 Å. The C(19)-H(17) bond length is 0.97 Å. In the twentieth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(19), one N(4), and one N(6) atom. The C(20)-N(4) bond length is 1.31 Å. The C(20)-N(6) bond length is 1.37 Å. In the twenty-first C site, C(21) is bonded in a distorted trigonal planar geometry to one C(22), one N(5), and one N(6) atom. The C(21)-C(22) bond length is 1.48 Å. The C(21)-N(5) bond length is 1.30 Å. The C(21)-N(6) bond length is 1.38 Å. In the twenty-second C site, C(22) is bonded in a trigonal non-coplanar geometry to one C(21); one H(19); and two equivalent H(18,20) atoms. The C(22)-H(19) bond length is 0.97 Å. Both C(22)-H(18,20) bond lengths are 0.97 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(9), and one N(2) atom. The N(1)-N(2) bond length is 1.39 Å. In the second N site, N(2) is bonded in a distorted water-like geometry to one C(10) and one N(1) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(10), one C(5), and one C(9) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(20), and one N(5) atom. The N(4)-N(5) bond length is 1.40 Å. In the fifth N site, N(5) is bonded in a distorted water-like geometry to one C(21) and one N(4) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(16), one C(20), and one C(21) atom. There are fifteen 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(4) 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(7) atom. In the fifth H site, H(5,6,7) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(8,9,10) is bonded in a single-bond geometry to one C(11) atom. In the seventh H site, H(11) is bonded in a single-bond geometry to one C(14) atom. In the eighth H site, H(12) is bonded in a single-bond geometry to one C(15) atom. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(17) atom. In the tenth H site, H(14) is bonded in a single-bond geometry to one C(18) atom. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(19) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(19) atom. In the thirteenth H site, H(17) is bonded in a single-bond geometry to one C(19) atom. In the fourteenth H site, H(18,20) is bonded in a single-bond geometry to one C(22) atom. In the fifteenth H site, H(19) is bonded in a single-bond geometry to one C(22) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Zn(1) and one C(12) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Zn(1) and one C(12) atom. Linkers: 1 [CH2].[CH2].[CH2].[CH2].[CH3].[CH3].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]=[C][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=[CH].[C][CH].[C][CH].[C][C][C]=[CH].[C][N][C][N].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N][C][N].[N][C][N].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][C]=O.[O][Zn].[O][Zn].[O][Zn]O[C]=O.[Zn].[Zn].[Zn].[Zn] ,1 O=[C]O[Zn].[CH2].[CH2].[CH2].[CH3].[CH3].[CH3].[CH3].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH][C]=[CH].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]/[C]=[C]\C(=[CH])[N][C][N].[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C][CH].[C][C].[C][C][N].[C][N][N].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N]c1[c]c[c]cc1.[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][C]=O.[O][Zn].[O][Zn].[O][Zn]O[C]=O.[O][Zn][O].[Zn].[Zn] ,1 [CH]/C=[C]/C(=O)O[Zn@@](OC(=O)c1ccc(-n2c(C)nnc2C)cc1)(N1N=C(C)N(/[C]=C/[CH])[C]1C)N1N=C(C)N(c2ccc(C([O])=O)cc2)[C]1C ,1 [CH]=[C]N1[C](C)N([Zn@](OC(=O)C(=[CH])C=[CH])(OC(=O)c2ccc(-n3c(C)nnc3C)cc2)N2N=C(C)N(c3ccc(C([O])=O)cc3)[C]2C)N=C1C. Metal clusters: 1 O=[C]O[Zn]O[C]=O. The MOF has largest included sphere 4.58 A, density 1.19 g/cm3, surface area 5109.78 m2/g, accessible volume 0.27 cm3/g