Zn2C87H51(N5O)2(CH)9 crystallizes in the tetragonal I4_1 space group. The structure consists of twelve 02329_fluka molecules and eight propylene molecules inside a Zn2C87H51(N5O)2 framework. In the Zn2C87H51(N5O)2 framework, Zn(1) is bonded in a trigonal bipyramidal geometry to one N(1), one N(2), one N(3), one N(4), and one O(1) atom. The Zn(1)-N(1) bond length is 2.05 Å. The Zn(1)-N(2) bond length is 2.08 Å. The Zn(1)-N(3) bond length is 2.07 Å. The Zn(1)-N(4) bond length is 2.08 Å. The Zn(1)-O(1) bond length is 2.23 Å. There are forty-four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(20), one C(9), and one N(1) atom. The C(1)-C(20) bond length is 1.41 Å. The C(1)-C(9) bond length is 1.45 Å. The C(1)-N(1) bond length is 1.37 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(10), one C(17), and one N(1) atom. The C(2)-C(10) bond length is 1.45 Å. The C(2)-C(17) bond length is 1.41 Å. The C(2)-N(1) bond length is 1.37 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(11), one C(17), and one N(2) atom. The C(3)-C(11) bond length is 1.45 Å. The C(3)-C(17) bond length is 1.41 Å. The C(3)-N(2) bond length is 1.37 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(12), one C(18), and one N(2) atom. The C(4)-C(12) bond length is 1.45 Å. The C(4)-C(18) bond length is 1.41 Å. The C(4)-N(2) bond length is 1.38 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(13), one C(18), and one N(3) atom. The C(5)-C(13) bond length is 1.45 Å. The C(5)-C(18) bond length is 1.41 Å. The C(5)-N(3) bond length is 1.38 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(14), one C(19), and one N(3) atom. The C(6)-C(14) bond length is 1.45 Å. The C(6)-C(19) bond length is 1.41 Å. The C(6)-N(3) bond length is 1.38 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(15), one C(19), and one N(4) atom. The C(7)-C(15) bond length is 1.45 Å. The C(7)-C(19) bond length is 1.41 Å. The C(7)-N(4) bond length is 1.38 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(16), one C(20), and one N(4) atom. The C(8)-C(16) bond length is 1.45 Å. The C(8)-C(20) bond length is 1.41 Å. The C(8)-N(4) bond length is 1.38 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(1), one C(10), and one H(1) atom. The C(9)-C(10) bond length is 1.37 Å. The C(9)-H(1) bond length is 1.08 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(2), one C(9), and one H(2) atom. The C(10)-H(2) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(12), one C(3), and one H(3) atom. The C(11)-C(12) bond length is 1.37 Å. The C(11)-H(3) bond length is 1.08 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(4), and one H(4) atom. The C(12)-H(4) bond length is 1.08 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(14), one C(5), and one H(5) atom. The C(13)-C(14) bond length is 1.37 Å. The C(13)-H(5) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(6), and one H(6) atom. The C(14)-H(6) bond length is 1.08 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(16), one C(7), and one H(7) atom. The C(15)-C(16) bond length is 1.37 Å. The C(15)-H(7) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(15), one C(8), and one H(8) atom. The C(16)-H(8) bond length is 1.08 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one C(2), one C(21), and one C(3) atom. The C(17)-C(21) bond length is 1.49 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one C(27), one C(4), and one C(5) atom. The C(18)-C(27) bond length is 1.49 Å. In the nineteenth C site, C(19) is bonded in a trigonal planar geometry to one C(33), one C(6), and one C(7) atom. The C(19)-C(33) bond length is 1.49 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(1), one C(39), and one C(8) atom. The C(20)-C(39) bond length is 1.49 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one C(17), one C(22), and one C(26) atom. The C(21)-C(22) bond length is 1.40 Å. The C(21)-C(26) bond length is 1.41 Å. In the twenty-second C site, C(22) is bonded in a distorted trigonal planar geometry to one C(21), one C(23), and one H(9) atom. The C(22)-C(23) bond length is 1.40 Å. The C(22)-H(9) bond length is 1.09 Å. In the twenty-third C site, C(23) is bonded in a distorted trigonal planar geometry to one C(22), one C(24), and one H(10) atom. The C(23)-C(24) bond length is 1.40 Å. The C(23)-H(10) bond length is 1.09 Å. In the twenty-fourth C site, C(24) is bonded in a distorted single-bond geometry to one C(23) and one H(11) atom. The C(24)-H(11) bond length is 1.09 Å. In the twenty-fifth C site, C(25) is bonded in a distorted single-bond geometry to one C(26) and one H(12) atom. The C(25)-C(26) bond length is 1.40 Å. The C(25)-H(12) bond length is 1.09 Å. In the twenty-sixth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(21), one C(25), and one N(5) atom. The C(26)-N(5) bond length is 1.40 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal planar geometry to one C(18), one C(28), and one C(32) atom. The C(27)-C(28) bond length is 1.40 Å. The C(27)-C(32) bond length is 1.40 Å. In the twenty-eighth C site, C(28) is bonded in a distorted single-bond geometry to one C(27) and one H(13) atom. The C(28)-H(13) bond length is 1.09 Å. In the twenty-ninth C site, C(29) is bonded in a distorted single-bond geometry to one C(30) and one H(14) atom. The C(29)-C(30) bond length is 1.40 Å. The C(29)-H(14) bond length is 1.09 Å. In the thirtieth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(29), one C(31), and one H(15) atom. The C(30)-C(31) bond length is 1.40 Å. The C(30)-H(15) bond length is 1.09 Å. In the thirty-first C site, C(31) is bonded in a distorted single-bond geometry to one C(30), one C(32), and one H(16) atom. The C(31)-C(32) bond length is 1.40 Å. The C(31)-H(16) bond length is 1.09 Å. In the thirty-second C site, C(32) is bonded in a distorted trigonal planar geometry to one C(27), one C(31), and one H(17) atom. The C(32)-H(17) bond length is 1.09 Å. In the thirty-third C site, C(33) is bonded in a trigonal planar geometry to one C(19), one C(34), and one C(38) atom. The C(33)-C(34) bond length is 1.40 Å. The C(33)-C(38) bond length is 1.41 Å. In the thirty-fourth C site, C(34) is bonded in a distorted single-bond geometry to one C(33) and one H(18) atom. The C(34)-H(18) bond length is 1.09 Å. In the thirty-fifth C site, C(36) is bonded in a distorted single-bond geometry to one C(37) and one H(20) atom. The C(36)-C(37) bond length is 1.40 Å. The C(36)-H(20) bond length is 1.09 Å. In the thirty-sixth C site, C(37) is bonded in a distorted trigonal planar geometry to one C(36), one C(38), and one H(21) atom. The C(37)-C(38) bond length is 1.40 Å. The C(37)-H(21) bond length is 1.09 Å. In the thirty-seventh C site, C(38) is bonded in a distorted single-bond geometry to one C(33), one C(37), and one H(22) atom. The C(38)-H(22) bond length is 1.09 Å. In the thirty-eighth C site, C(39) is bonded in a trigonal planar geometry to one C(20), one C(40), and one C(44) atom. The C(39)-C(40) bond length is 1.41 Å. The C(39)-C(44) bond length is 1.40 Å. In the thirty-ninth C site, C(40) is bonded in a distorted single-bond geometry to one C(39) and one H(23) atom. The C(40)-H(23) bond length is 1.09 Å. In the fortieth C site, C(44) is bonded in a distorted single-bond geometry to one C(39) and one H(27) atom. The C(44)-H(27) bond length is 1.09 Å. In the forty-first C site, C(45) is bonded in a distorted bent 120 degrees geometry to one C(46), one N(5), and one O(1) atom. The C(45)-C(46) bond length is 1.49 Å. The C(45)-N(5) bond length is 1.35 Å. The C(45)-O(1) bond length is 1.25 Å. In the forty-second C site, C(46) is bonded in a trigonal planar geometry to one C(45), one C(47), and one C(48) atom. The C(46)-C(47) bond length is 1.40 Å. The C(46)-C(48) bond length is 1.40 Å. In the forty-third C site, C(47) is bonded in a distorted single-bond geometry to two equivalent C(46) and one H(28) atom. The C(47)-H(28) bond length is 1.09 Å. In the forty-fourth C site, C(48) is bonded in a distorted single-bond geometry to one C(46) and one H(29) atom. The C(48)-H(29) bond length is 1.09 Å. There are five 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(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one C(3), and one C(4) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(1), one C(5), and one C(6) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Zn(1), one C(7), and one C(8) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one C(26), one C(45), and one H(31) atom. The N(5)-H(31) bond length is 1.02 Å. There are twenty-six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(10) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(11) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(15) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(16) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(22) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(23) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(24) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(25) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(28) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(29) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(30) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(31) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(32) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(34) atom. In the nineteenth H site, H(20) is bonded in a single-bond geometry to one C(36) atom. In the twentieth H site, H(21) is bonded in a single-bond geometry to one C(37) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one C(38) atom. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one C(40) atom. In the twenty-third H site, H(27) is bonded in a single-bond geometry to one C(44) atom. In the twenty-fourth H site, H(28) is bonded in a single-bond geometry to one C(47) atom. In the twenty-fifth H site, H(29) is bonded in a single-bond geometry to one C(48) atom. In the twenty-sixth H site, H(31) is bonded in a single-bond geometry to one N(5) atom. O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(45) atom. Linkers: 1 [CH]/C=C\[C]/C1=[C]/[N]/[C]=[C]\C2=CC=C([N]2)[C](c2ccccc2)C2=NC(=C[CH]2)/C(c2ccccc2NC(=O)c2cccc(C(=O)Nc3ccccc3/C3=C4\C=CC(=N4)/C(c4ccccc4)=C4/C=C/C(=C(\c5ccccc5)C5=N/C(=C(/c6ccccc6)C6=CC=C3[N]6)C=C5)[N]4)c2)=C2/C=CC1=N2 ,1 O=C(Nc1ccccc1/C1=C2\C=C/C(=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C4=CC=C([N]4)/C(c4ccccc4)=C4/C=CC1=N4)C=C3)[N]2)c1cccc(C(=O)Nc2ccccc2/C2=C3\C=CC(=N3)/C(c3ccccc3)=C3/C=C/C(=C(\c4ccccc4)C4=N/C(=C(/c5ccccc5)C5=CC=C2[N]5)C=C4)[N]3)c1 ,1 O=C(Nc1ccccc1/C1=C2\C=CC(=N2)/C(c2ccccc2)=C2/C=C/C(=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C4=CC=C1[N]4)C=C3)[N]2)c1cccc(C(=O)Nc2ccccc2/C2=C3\C=CC(=N3)/C(c3ccccc3)=C3/C=C/C(=C(\c4ccccc4)C4=N/C(=C(/c5ccccc5)C5=CC=C2[N]5)C=C4)[N]3)c1 ,1 [CH]=C[C]/C/1=C/2\C=CC(=N2)/C(=C\2/C=C/C(=C(/C3=N/C(=C(\C4=[C][C]=C1[N]4)/C(=[CH])/C(=[NH]/C(=O)c1cccc(c1)C(=O)Nc1ccccc1/C/1=C/4\C=CC(=N4)/C(=C\4/C=C/C(=C(/C5=N/C(=C(\C6=CC=C1[N]6)/c1ccccc1)/C=C5)\c1ccccc1)/[N]4)/c1ccccc1)/[CH][C])/C=C3)\c1ccccc1)/[N]2)/c1ccccc1. Metal clusters: 4 [O][Zn]. The MOF has largest included sphere 5.32 A, density 1.21 g/cm3, surface area 4864.08 m2/g, accessible volume 0.35 cm3/g