Zn3C40N6H24O13(CH)4(CH2)2 crystallizes in the orthorhombic Pcca space group. The structure consists of sixteen 02329_fluka molecules and eight 02329_fluka molecules inside a Zn3C40N6H24O13 framework. In the Zn3C40N6H24O13 framework, there are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(1), one O(1), one O(2), and one O(6) atom. The Zn(1)-N(1) bond length is 2.05 Å. The Zn(1)-O(1) bond length is 1.99 Å. The Zn(1)-O(2) bond length is 1.95 Å. The Zn(1)-O(6) bond length is 1.92 Å. In the second Zn site, Zn(2) is bonded in a square pyramidal geometry to two equivalent N(3), one O(7), and two equivalent O(3) atoms. Both Zn(2)-N(3) bond lengths are 2.26 Å. The Zn(2)-O(7) bond length is 2.34 Å. Both Zn(2)-O(3) bond lengths are 1.94 Å. There are twenty inequivalent C sites. In the first C site, C(16) is bonded in a distorted trigonal planar geometry to one C(17), one N(1), and one N(2) atom. The C(16)-C(17) bond length is 1.47 Å. The C(16)-N(1) bond length is 1.34 Å. The C(16)-N(2) bond length is 1.37 Å. In the second 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 1.49 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.28 Å. In the third C site, C(17) is bonded in a trigonal planar geometry to one C(16), one C(18), and one C(19) atom. The C(17)-C(18) bond length is 1.40 Å. The C(17)-C(19) bond length is 1.40 Å. In the fourth 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 1.40 Å. The C(2)-C(7) bond length is 1.40 Å. In the fifth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(17), one N(3), and one H(8) atom. The C(18)-N(3) bond length is 1.34 Å. The C(18)-H(8) bond length is 1.09 Å. In the sixth C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(1) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-H(1) bond length is 1.09 Å. In the seventh C site, C(19) is bonded in a distorted single-bond geometry to one C(17) and one H(9) atom. The C(19)-H(9) bond length is 1.09 Å. In the eighth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(9) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-C(9) bond length is 1.50 Å. In the ninth C site, C(20) is bonded in a distorted single-bond geometry to one C(21) and one H(10) atom. The C(20)-C(21) bond length is 1.39 Å. The C(20)-H(10) bond length is 1.09 Å. In the tenth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one H(2) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-H(2) bond length is 1.09 Å. In the eleventh C site, C(21) is bonded in a distorted trigonal planar geometry to one C(20), one N(3), and one H(11) atom. The C(21)-N(3) bond length is 1.35 Å. The C(21)-H(11) bond length is 1.09 Å. In the twelfth C site, C(6) is bonded in a trigonal planar geometry to one C(5), one C(7), and one C(8) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-C(8) bond length is 1.50 Å. In the thirteenth C site, C(22) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(12), and one H(13) atom. The C(22)-N(2) bond length is 1.47 Å. The C(22)-H(12) bond length is 1.10 Å. The C(22)-H(13) bond length is 1.09 Å. In the fourteenth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one H(3) atom. The C(7)-H(3) bond length is 1.09 Å. In the fifteenth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(3), and one O(4) atom. The C(8)-O(3) bond length is 1.31 Å. The C(8)-O(4) bond length is 1.25 Å. In the sixteenth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(5), and one O(6) atom. The C(9)-O(5) bond length is 1.24 Å. The C(9)-O(6) bond length is 1.31 Å. In the seventeenth C site, C(10) is bonded in a distorted single-bond geometry to one C(11), one C(15), and one N(1) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-C(15) bond length is 1.41 Å. The C(10)-N(1) bond length is 1.39 Å. In the eighteenth C site, C(11) is bonded in a distorted single-bond geometry to one C(10) and one H(4) atom. The C(11)-H(4) bond length is 1.09 Å. In the nineteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(15) and one H(7) atom. The C(14)-C(15) bond length is 1.40 Å. The C(14)-H(7) bond length is 1.09 Å. In the twentieth C site, C(15) is bonded in a distorted single-bond geometry to one C(10), one C(14), and one N(2) atom. The C(15)-N(2) bond length is 1.39 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(10), and one C(16) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(15), one C(16), and one C(22) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(2), one C(18), and one C(21) atom. There are twelve inequivalent H sites. In the first H site, H(16) is bonded in a single-bond geometry to one O(7) atom. The H(16)-O(7) bond length is 0.97 Å. In the second H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(2) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(4) is bonded in a single-bond geometry to one C(11) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(18) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(19) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(20) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(21) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(22) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(22) atom. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(9) atom. In the second O site, O(7) is bonded in a distorted water-like geometry to one Zn(2) and two equivalent H(16) atoms. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Zn(1) and one C(1) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(1) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(8) atom. In the sixth O site, O(4) is bonded in a single-bond geometry to one C(8) atom. In the seventh O site, O(5) is bonded in a single-bond geometry to one C(9) atom. Linkers: 1 O.[CH2].[CH2].[CH2].[CH2].[CH2].[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].[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][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].[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].[C].[C].[C].[C].[C].[C].[C].[C]/[C]=C\[C].[C]/[C]=[C]\C=[C]/[CH].[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]C([O])=O.[C]N=[CH].[C][CH].[C][CH].[C][CH]/[C]=C\[C].[C][C]=O.[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][N].[C][N][C].[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].[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][Zn][O].[OH].[OH].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[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][C]=O.[O][Zn].[O][Zn].[Zn].[Zn].[Zn] ,1 O.[CH2].[CH2].[CH2].[CH2].[CH2][N].[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].[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]N=[CH].[CH][C]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].[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]/[C]=C\[C]=C/[C]=[CH].[C]=O.[C]=O.[C]=O.[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][N].[C][N].[C][N].[C][N].[C][N].[C][N].[C][N].[C][N].[C][N][C].[C][N][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].[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][C][C][N].[OH].[OH].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[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].[Zn].[Zn].[Zn].[Zn]. Metal clusters: 4 O=[C]O[Zn]1O[C]O[Zn](O[C]=O)O[C]O1. The MOF has largest included sphere 5.87 A, density 1.38 g/cm3, surface area 4393.92 m2/g, accessible volume 0.25 cm3/g