ZnC12H7(NO2)2 crystallizes in the monoclinic C2/c space group. The structure consists of a ZnC12H7(NO2)2 framework. Zn(1) is bonded in a distorted trigonal pyramidal geometry to one N(1), one N(2), one O(1), and one O(3) atom. The Zn(1)-N(1) bond length is 2.02 Å. The Zn(1)-N(2) bond length is 2.05 Å. The Zn(1)-O(1) bond length is 1.97 Å. The Zn(1)-O(3) bond length is 1.98 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one H(1) atom. The C(1)-C(5) bond length is 1.38 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(9), one N(2), and one H(2) atom. The C(2)-C(9) bond length is 1.40 Å. The C(2)-N(2) bond length is 1.34 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(2), and one H(3) atom. The C(3)-C(4) bond length is 1.38 Å. The C(3)-N(2) bond length is 1.35 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(8), and one H(4) atom. The C(4)-C(8) bond length is 1.40 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(1), one C(12), and one H(5) atom. The C(5)-C(12) bond length is 1.41 Å. The C(5)-H(5) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(7), one N(1), and one H(6) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-N(1) bond length is 1.35 Å. The C(6)-H(6) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(12), one C(6), and one H(7) atom. The C(7)-C(12) bond length is 1.40 Å. The C(7)-H(7) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(10), one C(4), and one C(9) atom. The C(8)-C(10) bond length is 1.51 Å. The C(8)-C(9) bond length is 1.41 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(11), one C(2), and one C(8) atom. The C(9)-C(11) bond length is 1.51 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(1), and one O(2) atom. The C(10)-O(1) bond length is 1.30 Å. The C(10)-O(2) bond length is 1.24 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(3), and one O(4) atom. The C(11)-O(3) bond length is 1.30 Å. The C(11)-O(4) bond length is 1.25 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(12), one C(5), and one C(7) atom. The C(12)-C(12) bond length is 1.48 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(6) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one C(2), and one C(3) atom. There are seven inequivalent H sites. In the first H site, H(1) 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(3) is bonded in a single-bond geometry to one C(3) 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(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(7) 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(10) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(10) atom. In the third O site, O(3) is bonded in a water-like geometry to one Zn(1) and one C(11) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(11) 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][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]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]N=[CH].[C][C].[C][C].[C][C]([C])[C].[C][C][C].[C][C][C].[C][N].[C][N].[C][N][C].[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].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][C]=O.[O][C]=O.[O][Zn].[O][Zn][O].[Zn].[Zn].[Zn] ,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][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]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C][CH].[C][C].[C][C].[C][C]([C])C([C])=[CH].[C][C]=[CH].[C][C][C].[C][N].[C][N][C].[C][N][C].[C][N][C].[C][N][Zn]([N])[O].[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].[O].[O].[O].[O].[O].[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].[Zn] ,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]N([CH])[Zn][N].[CH]N=[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]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]N=[CH].[C][CH].[C][CH].[C][C].[C][C].[C][C]=[CH].[C][C][C].[C][C][C].[C][N][C].[C][N][C].[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].[O].[O].[O].[O].[O].[O].[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].[Zn] ,1 O=[C]O[Zn].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]=[C]/C=[C]\[N].[CH]N=[CH].[CH][C]=[CH].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]=O.[C]=O.[C]=O.[C]=O.[C]N([C])[Zn@]([O])(OC(=O)c1[c]ccnc1)N1[CH]C(C([O])=O)=C([C]=O)C=C1.[C][C].[C][C]=[CH].[C][C][C].[C][N].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[O].[O].[O].[O].[O].[O][C]=O.[O][C]=O.[O][Zn][O] ,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]=[C][N].[CH]N=[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]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]C([C])=[CH].[C]N=[CH].[C][CH].[C][C].[C][C].[C][C].[C][C].[C][C][C].[C][C][C].[C][N].[C][N][C].[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].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][C]=O.[O][C]=O.[O][Zn][O].[Zn].[Zn].[Zn] ,1 c1cc(-c2ccncc2)ccn1 ,1 O=[C]O[Zn].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH][C]=[CH].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]=O.[C]=O.[C]=O.[C]=O.[C]C1=C[CH]N([Zn@@]([O])(OC(=O)c2[c]ccnc2)N2[CH]C(C([O])=O)=C([C]=O)C=C2)C=C1.[C]N=[CH].[C][C].[C][C][C].[C][N][C].[C][N][C].[C][N][C].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[Zn]. Metal clusters: 2 O=[C]O[Zn]O[C]=O. The MOF has largest included sphere 3.18 A, density 1.76 g/cm3, surface area 4132.45 m2/g, accessible volume 0.16 cm3/g