ZnC23H15(NO)4ZnC16H10(NO)4(CH)3(C3H2)2 crystallizes in the trigonal P3 space group. The structure consists of nine 02329_fluka molecules; three 2,3-dimethyl-1,3-butadiene molecules; and three ZnC16H10(NO)4 clusters inside a ZnC23H15(NO)4 framework. In each ZnC16H10(NO)4 cluster, Zn(2) is bonded in a tetrahedral geometry to one N(5), one N(7), one O(6), and one O(7) atom. The Zn(2)-N(5) bond length is 2.00 Å. The Zn(2)-N(7) bond length is 2.05 Å. The Zn(2)-O(6) bond length is 1.99 Å. The Zn(2)-O(7) bond length is 1.96 Å. There are sixteen inequivalent C sites. In the first C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(26), one O(7), and one O(8) atom. The C(25)-C(26) bond length is 1.50 Å. The C(25)-O(7) bond length is 1.29 Å. The C(25)-O(8) bond length is 1.26 Å. In the second C site, C(26) is bonded in a trigonal planar geometry to one C(25), one C(27), and one C(28) atom. The C(26)-C(27) bond length is 1.40 Å. The C(26)-C(28) bond length is 1.40 Å. In the third C site, C(27) is bonded in a distorted single-bond geometry to one C(26) and one H(17) atom. The C(27)-H(17) bond length is 1.09 Å. In the fourth C site, C(28) is bonded in a distorted single-bond geometry to one C(26) and one H(18) atom. The C(28)-H(18) bond length is 1.09 Å. In the fifth C site, C(35) is bonded in a distorted single-bond geometry to one C(37) and one H(23) atom. The C(35)-C(37) bond length is 1.40 Å. The C(35)-H(23) bond length is 1.09 Å. In the sixth C site, C(36) is bonded in a distorted single-bond geometry to one C(37) and one H(24) atom. The C(36)-C(37) bond length is 1.40 Å. The C(36)-H(24) bond length is 1.09 Å. In the seventh C site, C(37) is bonded in a trigonal planar geometry to one C(35), one C(36), and one C(38) atom. The C(37)-C(38) bond length is 1.49 Å. In the eighth C site, C(38) is bonded in a bent 120 degrees geometry to one C(37), one O(5), and one O(6) atom. The C(38)-O(5) bond length is 1.25 Å. The C(38)-O(6) bond length is 1.31 Å. In the ninth C site, C(39) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(25) atom. The C(39)-N(5) bond length is 1.32 Å. The C(39)-N(6) bond length is 1.36 Å. The C(39)-H(25) bond length is 1.08 Å. In the tenth C site, C(40) is bonded in a distorted bent 120 degrees geometry to one C(41), one N(5), and one H(26) atom. The C(40)-C(41) bond length is 1.37 Å. The C(40)-N(5) bond length is 1.38 Å. The C(40)-H(26) bond length is 1.08 Å. In the eleventh C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(40), one N(6), and one H(27) atom. The C(41)-N(6) bond length is 1.39 Å. The C(41)-H(27) bond length is 1.08 Å. In the twelfth C site, C(42) is bonded in a distorted single-bond geometry to one N(6) atom. The C(42)-N(6) bond length is 1.42 Å. In the thirteenth C site, C(44) is bonded in a distorted bent 120 degrees geometry to one C(45), one N(7), and one H(29) atom. The C(44)-C(45) bond length is 1.37 Å. The C(44)-N(7) bond length is 1.39 Å. The C(44)-H(29) bond length is 1.08 Å. In the fourteenth C site, C(45) is bonded in a distorted bent 120 degrees geometry to one C(44), one N(8), and one H(30) atom. The C(45)-N(8) bond length is 1.39 Å. The C(45)-H(30) bond length is 1.08 Å. In the fifteenth C site, C(46) is bonded in a trigonal planar geometry to one N(7), one N(8), and one H(31) atom. The C(46)-N(7) bond length is 1.33 Å. The C(46)-N(8) bond length is 1.37 Å. The C(46)-H(31) bond length is 1.09 Å. In the sixteenth C site, C(47) is bonded in a distorted single-bond geometry to one N(8) atom. The C(47)-N(8) bond length is 1.42 Å. There are four inequivalent N sites. In the first N site, N(5) is bonded in a trigonal planar geometry to one Zn(2), one C(39), and one C(40) atom. In the second N site, N(6) is bonded in a trigonal planar geometry to one C(39), one C(41), and one C(42) atom. In the third N site, N(7) is bonded in a trigonal planar geometry to one Zn(2), one C(44), and one C(46) atom. In the fourth N site, N(8) is bonded in a trigonal planar geometry to one C(45), one C(46), and one C(47) atom. There are ten inequivalent H sites. In the first H site, H(17) is bonded in a single-bond geometry to one C(27) atom. In the second H site, H(18) is bonded in a single-bond geometry to one C(28) atom. In the third H site, H(23) is bonded in a single-bond geometry to one C(35) atom. In the fourth H site, H(24) is bonded in a single-bond geometry to one C(36) atom. In the fifth H site, H(25) is bonded in a single-bond geometry to one C(39) atom. In the sixth H site, H(26) is bonded in a single-bond geometry to one C(40) atom. In the seventh H site, H(27) is bonded in a single-bond geometry to one C(41) atom. In the eighth H site, H(29) is bonded in a single-bond geometry to one C(44) atom. In the ninth H site, H(30) is bonded in a single-bond geometry to one C(45) atom. In the tenth H site, H(31) is bonded in a single-bond geometry to one C(46) atom. There are four inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one C(38) atom. In the second O site, O(6) is bonded in a water-like geometry to one Zn(2) and one C(38) atom. In the third O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(25) atom. In the fourth O site, O(8) is bonded in a single-bond geometry to one C(25) atom. In the ZnC23H15(NO)4 framework, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(3), one O(1), and one O(3) atom. The Zn(1)-N(1) bond length is 1.98 Å. The Zn(1)-N(3) 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 1.99 Å. There are twenty-three inequivalent C sites. In the first C site, C(10) is bonded in a distorted single-bond geometry to one C(8) and one H(6) atom. The C(10)-C(8) bond length is 1.41 Å. The C(10)-H(6) bond length is 1.09 Å. In the second C site, C(11) is bonded in a distorted single-bond geometry to one C(13) and one H(7) atom. The C(11)-C(13) bond length is 1.40 Å. The C(11)-H(7) bond length is 1.09 Å. In the third C site, C(12) is bonded in a distorted trigonal planar geometry to one C(13), one C(9), and one H(8) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-C(9) bond length is 1.39 Å. The C(12)-H(8) bond length is 1.09 Å. In the fourth C site, C(13) is bonded in a trigonal planar geometry to one C(11), one C(12), and one C(14) atom. The C(13)-C(14) bond length is 1.50 Å. In the fifth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(1), and one O(2) atom. The C(14)-O(1) bond length is 1.30 Å. The C(14)-O(2) bond length is 1.26 Å. In the sixth C site, C(15) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(9) atom. The C(15)-N(1) bond length is 1.33 Å. The C(15)-N(2) bond length is 1.36 Å. The C(15)-H(9) bond length is 1.08 Å. In the seventh C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(17), one N(1), and one H(10) atom. The C(16)-C(17) bond length is 1.37 Å. The C(16)-N(1) bond length is 1.39 Å. The C(16)-H(10) bond length is 1.08 Å. In the eighth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(2), and one H(11) atom. The C(17)-N(2) bond length is 1.39 Å. The C(17)-H(11) bond length is 1.08 Å. In the ninth C site, C(18) is bonded in a distorted trigonal planar geometry to two equivalent C(19) and one N(2) atom. There is one shorter (1.39 Å) and one longer (1.40 Å) C(18)-C(19) bond length. The C(18)-N(2) bond length is 1.42 Å. In the tenth C site, C(19) is bonded in a distorted single-bond geometry to two equivalent C(18) and one H(12) atom. The C(19)-H(12) bond length is 1.09 Å. In the eleventh C site, C(20) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(13) atom. The C(20)-N(3) bond length is 1.33 Å. The C(20)-N(4) bond length is 1.36 Å. The C(20)-H(13) bond length is 1.08 Å. In the twelfth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(22), one N(3), and one H(14) atom. The C(21)-C(22) bond length is 1.37 Å. The C(21)-N(3) bond length is 1.38 Å. The C(21)-H(14) bond length is 1.08 Å. In the thirteenth C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(21), one N(4), and one H(15) atom. The C(22)-N(4) bond length is 1.39 Å. The C(22)-H(15) bond length is 1.08 Å. In the fourteenth C site, C(23) is bonded in a distorted single-bond geometry to one N(4) atom. The C(23)-N(4) bond length is 1.43 Å. In the fifteenth C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(3), and one O(4) atom. The C(1)-C(2) bond length is 1.49 Å. The C(1)-O(3) bond length is 1.31 Å. The C(1)-O(4) bond length is 1.25 Å. In the sixteenth C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(4) bond length is 1.40 Å. In the seventeenth C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one H(1) atom. The C(3)-C(6) bond length is 1.39 Å. The C(3)-H(1) bond length is 1.09 Å. In the eighteenth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(2), one C(5), and one H(2) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(2) bond length is 1.09 Å. In the nineteenth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(7), and one H(3) atom. The C(5)-C(7) bond length is 1.41 Å. The C(5)-H(3) bond length is 1.09 Å. In the twentieth C site, C(6) is bonded in a distorted single-bond geometry to one C(3), one C(7), and one H(4) atom. The C(6)-C(7) bond length is 1.41 Å. The C(6)-H(4) bond length is 1.09 Å. In the twenty-first C site, C(7) is bonded in a trigonal planar geometry to one C(5), one C(6), and one C(8) atom. The C(7)-C(8) bond length is 1.47 Å. In the twenty-second C site, C(8) is bonded in a trigonal planar geometry to one C(10), one C(7), and one C(9) atom. The C(8)-C(9) bond length is 1.41 Å. In the twenty-third C site, C(9) is bonded in a distorted single-bond geometry to one C(12), one C(8), and one H(5) atom. The C(9)-H(5) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(15), 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(17), and one C(18) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(1), one C(20), and one C(21) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(23) atom. There are fifteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(15) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(16) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(17) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(19) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(20) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(21) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(22) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Zn(1) and one C(14) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(14) atom. In the third O site, O(3) is bonded in a water-like geometry to one Zn(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(1) atom. Linkers: 6 [O]C(=O)c1ccc(-c2ccc(C([O])=O)cc2)cc1 ,4 c1cn(-c2cc(-n3ccnc3)cc(-n3ccnc3)c2)cn1. Metal clusters: 6 O=[C]O[Zn]O[C]=O. The MOF has largest included sphere 4.69 A, density 1.35 g/cm3, surface area 4813.26 m2/g, accessible volume 0.19 cm3/g