ZnC27H17(NO2)2CH(CH3)2 crystallizes in the trigonal P-3 space group. The structure consists of six 02329_fluka molecules and twelve 02329_fluka molecules inside a ZnC27H17(NO2)2 framework. In the ZnC27H17(NO2)2 framework, Zn(1) is bonded in an octahedral geometry to one N(1), one N(2), one O(1), one O(2), one O(3), and one O(4) atom. The Zn(1)-N(1) bond length is 2.15 Å. The Zn(1)-N(2) bond length is 2.14 Å. The Zn(1)-O(1) bond length is 2.06 Å. The Zn(1)-O(2) bond length is 2.06 Å. The Zn(1)-O(3) bond length is 2.16 Å. The Zn(1)-O(4) bond length is 2.15 Å. There are twenty-seven inequivalent C sites. In the first C site, C(19) is bonded in a distorted single-bond geometry to one C(15) and one H(9) atom. The C(19)-C(15) bond length is 1.41 Å. The C(19)-H(9) bond length is 1.09 Å. In the second C site, C(20) is bonded in a distorted single-bond geometry to one C(16), one C(21), and one H(10) atom. The C(20)-C(16) bond length is 1.41 Å. The C(20)-C(21) bond length is 1.39 Å. The C(20)-H(10) bond length is 1.09 Å. In the third C site, C(21) is bonded in a distorted trigonal planar geometry to one C(20), one C(5), and one H(11) atom. The C(21)-C(5) bond length is 1.40 Å. The C(21)-H(11) bond length is 1.09 Å. In the fourth C site, C(22) is bonded in a distorted single-bond geometry to one C(8) and one H(12) atom. The C(22)-C(8) bond length is 1.41 Å. The C(22)-H(12) bond length is 1.09 Å. In the fifth C site, C(1) is bonded in a distorted single-bond geometry to one C(13), one C(8), and one H(1) atom. The C(1)-C(13) bond length is 1.39 Å. The C(1)-C(8) bond length is 1.41 Å. The C(1)-H(1) bond length is 1.09 Å. In the sixth C site, C(2) is bonded in a distorted single-bond geometry to one C(9) and one O(1) atom. The C(2)-C(9) bond length is 1.50 Å. The C(2)-O(1) bond length is 1.28 Å. In the seventh C site, C(24) is bonded in a distorted single-bond geometry to one C(15), one C(26), and one H(16) atom. The C(24)-C(15) bond length is 1.41 Å. The C(24)-C(26) bond length is 1.39 Å. The C(24)-H(16) bond length is 1.09 Å. In the eighth C site, C(3) is bonded in a single-bond geometry to one C(6), one C(7), and one H(2) atom. The C(3)-C(6) bond length is 1.41 Å. The C(3)-C(7) bond length is 1.39 Å. The C(3)-H(2) bond length is 1.09 Å. In the ninth C site, C(25) is bonded in a distorted trigonal planar geometry to one C(18), one N(2), and one H(17) atom. The C(25)-C(18) bond length is 1.39 Å. The C(25)-N(2) bond length is 1.34 Å. The C(25)-H(17) bond length is 1.09 Å. In the tenth C site, C(4) is bonded in a single-bond geometry to one C(11), one C(5), and one O(2) atom. The C(4)-C(11) bond length is 1.41 Å. The C(4)-C(5) bond length is 1.50 Å. The C(4)-O(2) bond length is 1.28 Å. In the eleventh C site, C(26) is bonded in a distorted trigonal planar geometry to one C(24), one C(9), and one H(18) atom. The C(26)-C(9) bond length is 1.40 Å. The C(26)-H(18) bond length is 1.09 Å. In the twelfth C site, C(5) is bonded in a trigonal planar geometry to one C(21), one C(28), and one C(4) atom. The C(5)-C(28) bond length is 1.41 Å. In the thirteenth C site, C(27) is bonded in a distorted single-bond geometry to one C(16) and one H(19) atom. The C(27)-C(16) bond length is 1.41 Å. The C(27)-H(19) bond length is 1.09 Å. In the fourteenth C site, C(6) is bonded in a trigonal planar geometry to one C(15), one C(18), and one C(3) atom. The C(6)-C(15) bond length is 1.47 Å. The C(6)-C(18) bond length is 1.41 Å. In the fifteenth C site, C(28) is bonded in a distorted single-bond geometry to one C(5) and one H(20) atom. The C(28)-H(20) bond length is 1.09 Å. In the sixteenth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(3), one N(2), and one H(3) atom. The C(7)-N(2) bond length is 1.34 Å. The C(7)-H(3) bond length is 1.09 Å. In the seventeenth C site, C(8) is bonded in a trigonal planar geometry to one C(1), one C(16), and one C(22) atom. The C(8)-C(16) bond length is 1.47 Å. In the eighteenth C site, C(30) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(24) atom. The C(30)-N(1) bond length is 1.34 Å. The C(30)-H(24) bond length is 1.09 Å. In the nineteenth C site, C(9) is bonded in a trigonal planar geometry to one C(17), one C(2), and one C(26) atom. The C(9)-C(17) bond length is 1.41 Å. In the twentieth C site, C(11) is bonded in a distorted single-bond geometry to one C(12), one C(4), and one H(5) atom. The C(11)-C(12) bond length is 1.41 Å. The C(11)-H(5) bond length is 1.09 Å. In the twenty-first C site, C(12) is bonded in a distorted single-bond geometry to one C(11) and one O(4) atom. The C(12)-O(4) bond length is 1.28 Å. In the twenty-second C site, C(13) is bonded in a distorted trigonal planar geometry to one C(1), one N(1), and one H(6) atom. The C(13)-N(1) bond length is 1.34 Å. The C(13)-H(6) bond length is 1.09 Å. In the twenty-third C site, C(14) is bonded in a distorted single-bond geometry to one O(3) atom. The C(14)-O(3) bond length is 1.28 Å. In the twenty-fourth C site, C(15) is bonded in a trigonal planar geometry to one C(19), one C(24), and one C(6) atom. In the twenty-fifth C site, C(16) is bonded in a trigonal planar geometry to one C(20), one C(27), and one C(8) atom. In the twenty-sixth C site, C(17) is bonded in a distorted single-bond geometry to one C(9) and one H(7) atom. The C(17)-H(7) bond length is 1.09 Å. In the twenty-seventh C site, C(18) is bonded in a distorted single-bond geometry to one C(25), one C(6), and one H(8) atom. The C(18)-H(8) bond length is 1.09 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(13), and one C(30) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one C(25), and one C(7) atom. There are seventeen 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(3) atom. In the third H site, H(24) is bonded in a single-bond geometry to one C(30) 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(5) is bonded in a single-bond geometry to one C(11) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(17) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(18) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(19) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(20) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(21) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(22) atom. In the thirteenth H site, H(16) is bonded in a single-bond geometry to one C(24) atom. In the fourteenth H site, H(17) is bonded in a single-bond geometry to one C(25) atom. In the fifteenth H site, H(18) is bonded in a single-bond geometry to one C(26) atom. In the sixteenth H site, H(19) is bonded in a single-bond geometry to one C(27) atom. In the seventeenth H site, H(20) is bonded in a single-bond geometry to one C(28) 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(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(14) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(12) atom. Linkers: 12 CC(=O)[CH]C(=O)c1ccc(-c2ccncc2)cc1. Metal clusters: 6 [Zn]. The MOF has largest included sphere 12.33 A, density 0.85 g/cm3, surface area 5169.43 m2/g, accessible volume 0.70 cm3/g