ZnC12H8(NO2)2 crystallizes in the triclinic P1 space group. Zn(1,2,3) is bonded in a tetrahedral geometry to one N(1,3); one N(2,4); one O(1,9); and one O(2,10) atom. The Zn(1,2,3)-N(1,3) bond length is 2.04 Å. The Zn(1,2,3)-N(2,4) bond length is 2.03 Å. The Zn(1,2,3)-O(1,9) bond length is 1.95 Å. The Zn(1,2,3)-O(2,10) bond length is 1.96 Å. There are eighteen inequivalent C sites. In the first C site, C(1,25) is bonded in a distorted bent 120 degrees geometry to one C(3,27); one O(2,10); and one O(4,12) atom. The C(1,25)-C(3,27) bond length is 1.53 Å. The C(1,25)-O(2,10) bond length is 1.28 Å. The C(1,25)-O(4,12) bond length is 1.22 Å. In the second C site, C(2,14,26) is bonded in a distorted bent 120 degrees geometry to one C(5,17,29); one O(1,9); and one O(3,7,11) atom. The C(2,14,26)-C(5,17,29) bond length is 1.52 Å. The C(2,14,26)-O(1,9) bond length is 1.27 Å. The C(2,14,26)-O(3,7,11) bond length is 1.23 Å. In the third C site, C(3,27) is bonded in a trigonal planar geometry to one C(1,25); one C(7,31); and one C(9) atom. The C(3,27)-C(7,31) bond length is 1.37 Å. The C(3,27)-C(9) bond length is 1.41 Å. In the fourth C site, C(4,16,28) is bonded in a distorted bent 120 degrees geometry to one N(1,3) and one H(1,9) atom. The C(4,16,28)-N(1,3) bond length is 1.32 Å. The C(4,16,28)-H(1,9) bond length is 1.14 Å. In the fifth C site, C(5,17,29) is bonded in a trigonal planar geometry to one C(2,14,26); one C(6,18,30); and one C(8,20,32) atom. The C(5,17,29)-C(6,18,30) bond length is 1.41 Å. The C(5,17,29)-C(8,20,32) bond length is 1.38 Å. In the sixth C site, C(6,18,30) is bonded in a distorted trigonal planar geometry to one C(12,24,36); one C(5,17,29); and one H(2,10,18) atom. The C(6,18,30)-C(12,24,36) bond length is 1.38 Å. The C(6,18,30)-H(2,10,18) bond length is 1.14 Å. In the seventh C site, C(7,31) is bonded in a distorted single-bond geometry to one C(3,27) and one H(3,19) atom. The C(7,31)-H(3,19) bond length is 1.14 Å. In the eighth C site, C(8,20,32) is bonded in a distorted single-bond geometry to one C(5,17,29) and one H(4,12,20) atom. The C(8,20,32)-H(4,12,20) bond length is 1.14 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(11,35); one C(3,27); and one H(5,21) atom. The C(9)-C(11,35) bond length is 1.40 Å. The C(9)-H(5,21) bond length is 1.14 Å. In the tenth C site, C(10,22,34) is bonded in a distorted bent 120 degrees geometry to one N(2,4) and one H(6,14,22) atom. The C(10,22,34)-N(2,4) bond length is 1.34 Å. The C(10,22,34)-H(6,14,22) bond length is 1.14 Å. In the eleventh C site, C(11,35) is bonded in a distorted bent 120 degrees geometry to one C(9); one N(1,3); and one H(7,15) atom. The C(11,35)-N(1,3) bond length is 1.34 Å. The C(11,35)-H(7,15) bond length is 1.14 Å. In the twelfth C site, C(12,24,36) is bonded in a distorted bent 120 degrees geometry to one C(6,18,30); one N(2,4); and one H(8,16,24) atom. The C(12,24,36)-N(2,4) bond length is 1.34 Å. The C(12,24,36)-H(8,16,24) bond length is 1.14 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(15), one O(6), and one O(8) atom. The C(13)-C(15) bond length is 1.53 Å. The C(13)-O(6) bond length is 1.28 Å. The C(13)-O(8) bond length is 1.22 Å. In the fourteenth C site, C(15) is bonded in a trigonal planar geometry to one C(13), one C(19), and one C(21) atom. The C(15)-C(19) bond length is 1.37 Å. The C(15)-C(21) bond length is 1.41 Å. In the fifteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(15) and one H(11) atom. The C(19)-H(11) bond length is 1.14 Å. In the sixteenth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(15), one C(23), and one H(13) atom. The C(21)-C(23) bond length is 1.40 Å. The C(21)-H(13) bond length is 1.14 Å. In the seventeenth C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(21); one N(1,3); and one H(7,15) atom. The C(23)-N(1,3) bond length is 1.34 Å. The C(23)-H(7,15) bond length is 1.14 Å. In the eighteenth C site, C(33) is bonded in a distorted trigonal planar geometry to one C(11,35); one C(3,27); and one H(5,21) atom. The C(33)-C(11,35) bond length is 1.40 Å. The C(33)-C(3,27) bond length is 1.41 Å. The C(33)-H(5,21) bond length is 1.14 Å. There are four inequivalent N sites. In the first N site, N(1,3) is bonded in a trigonal planar geometry to one Zn(1,2,3); one C(11,35); and one C(4,16,28) atom. In the second N site, N(2,4) is bonded in a trigonal planar geometry to one Zn(1,2,3); one C(10,22,34); and one C(12,24,36) atom. In the third N site, N(5) is bonded in a trigonal planar geometry to one Zn(1,2,3); one C(11,35); and one C(4,16,28) atom. The N(5)-Zn(1,2,3) bond length is 2.04 Å. The N(5)-C(11,35) bond length is 1.34 Å. The N(5)-C(4,16,28) bond length is 1.32 Å. In the fourth N site, N(6) is bonded in a trigonal planar geometry to one Zn(1,2,3); one C(10,22,34); and one C(12,24,36) atom. The N(6)-Zn(1,2,3) bond length is 2.03 Å. The N(6)-C(10,22,34) bond length is 1.34 Å. The N(6)-C(12,24,36) bond length is 1.34 Å. There are twelve inequivalent H sites. In the first H site, H(1,9) is bonded in a single-bond geometry to one C(4,16,28) atom. In the second H site, H(2,10,18) is bonded in a single-bond geometry to one C(6,18,30) atom. In the third H site, H(3,19) is bonded in a single-bond geometry to one C(7,31) atom. In the fourth H site, H(4,12,20) is bonded in a single-bond geometry to one C(8,20,32) atom. In the fifth H site, H(5,21) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(6,14,22) is bonded in a single-bond geometry to one C(10,22,34) atom. In the seventh H site, H(7,15) is bonded in a single-bond geometry to one C(11,35) atom. In the eighth H site, H(8,16,24) is bonded in a single-bond geometry to one C(12,24,36) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(19) atom. In the tenth H site, H(13) is bonded in a single-bond geometry to one C(21) atom. In the eleventh H site, H(17) is bonded in a single-bond geometry to one C(4,16,28) atom. The H(17)-C(4,16,28) bond length is 1.14 Å. In the twelfth H site, H(23) is bonded in a single-bond geometry to one C(11,35) atom. The H(23)-C(11,35) bond length is 1.14 Å. There are seven inequivalent O sites. In the first O site, O(1,9) is bonded in a water-like geometry to one Zn(1,2,3) and one C(2,14,26) atom. In the second O site, O(2,10) is bonded in a water-like geometry to one Zn(1,2,3) and one C(1,25) atom. In the third O site, O(3,7,11) is bonded in a single-bond geometry to one C(2,14,26) atom. In the fourth O site, O(4,12) is bonded in a single-bond geometry to one C(1,25) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Zn(1,2,3) and one C(2,14,26) atom. The O(5)-Zn(1,2,3) bond length is 1.95 Å. The O(5)-C(2,14,26) bond length is 1.27 Å. In the sixth O site, O(6) is bonded in a water-like geometry to one Zn(1,2,3) and one C(13) atom. The O(6)-Zn(1,2,3) bond length is 1.96 Å. In the seventh O site, O(8) is bonded in a single-bond geometry to one C(13) atom. Linkers: 1 [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]#N.[C]/C=N\[C].[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]N=[CH].[C]O[Zn][O].[C][CH].[C][C].[C][C].[C][C]C(=O)O[Zn].[C][C][O].[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].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][Zn].[Zn].[Zn].[Zn].[Zn] ,1 O=[C]O[Zn].[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].[CH]=[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]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=[CH].[C]=[C][CH].[C]N=[CH].[C]N=[C].[C][CH].[C][C].[C][C]=[C].[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].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][Zn].[O][Zn].[O][Zn].[Zn].[Zn].[Zn] ,1 [CH]=[C]C(=O)O[Zn](OC(=O)[C]=[CH])(N1[CH]C=C(C([O])=O)C=C1)N1[CH]C=C(C([O])=O)C=C1 ,1 [C]N(C=[CH])[Zn](OC(=O)c1ccncc1)(OC(=O)c1ccncc1)N([C])C=[CH]. Metal clusters: 1 O=[C]O[Zn]O[C]=O. The MOF has largest included sphere 8.51 A, density 1.18 g/cm3, surface area 4695.31 m2/g, accessible volume 0.35 cm3/g