ZnC18H12(NO)4ZnC13H8(NO)4ZnC14H11(N2O)2(C3H2)3(CH)5 is Indium-derived structured and crystallizes in the orthorhombic Pcc2 space group. The structure is zero-dimensional and consists of twenty 02329_fluka molecules; six 2,3-dimethyl-1,3-butadiene molecules; four ZnC13H8(NO)4 clusters; four ZnC14H11(N2O)2 clusters; and four ZnC18H12(NO)4 clusters. In each ZnC13H8(NO)4 cluster, Zn(2) is bonded in a tetrahedral geometry to one N(6), one N(7), one O(4), and one O(8) atom. The Zn(2)-N(6) bond length is 2.00 Å. The Zn(2)-N(7) bond length is 2.04 Å. The Zn(2)-O(4) bond length is 1.93 Å. The Zn(2)-O(8) bond length is 1.89 Å. There are thirteen inequivalent C sites. In the first C site, C(15) is bonded in a distorted single-bond geometry to one N(5) atom. The C(15)-N(5) bond length is 1.40 Å. In the second C site, C(20) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(15) atom. The C(20)-N(5) bond length is 1.40 Å. The C(20)-H(15) bond length is 0.93 Å. In the third C site, C(21) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(16) atom. The C(21)-N(6) bond length is 1.41 Å. The C(21)-H(16) bond length is 0.93 Å. In the fourth C site, C(22) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(17) atom. The C(22)-N(5) bond length is 1.33 Å. The C(22)-N(6) bond length is 1.38 Å. The C(22)-H(17) bond length is 0.93 Å. In the fifth C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(24), one O(3), and one O(4) atom. The C(23)-C(24) bond length is 1.49 Å. The C(23)-O(3) bond length is 1.15 Å. The C(23)-O(4) bond length is 1.35 Å. In the sixth C site, C(24) is bonded in a trigonal planar geometry to one C(23), one C(25), and one C(29) atom. The C(24)-C(25) bond length is 1.43 Å. The C(24)-C(29) bond length is 1.38 Å. In the seventh C site, C(25) is bonded in a distorted single-bond geometry to one C(24) and one H(18,41) atom. The C(25)-H(18,41) bond length is 0.93 Å. In the eighth C site, C(29) is bonded in a distorted single-bond geometry to one C(24) and one H(21) atom. The C(29)-H(21) bond length is 0.93 Å. In the ninth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one O(7) and one O(8) atom. The C(31)-O(7) bond length is 1.28 Å. The C(31)-O(8) bond length is 1.18 Å. In the tenth C site, C(38) is bonded in a 3-coordinate geometry to one C(39), one N(7), and one H(26) atom. The C(38)-C(39) bond length is 1.38 Å. The C(38)-N(7) bond length is 1.36 Å. The C(38)-H(26) bond length is 0.93 Å. In the eleventh C site, C(39) is bonded in a 3-coordinate geometry to one C(38), one N(8), and one H(27) atom. The C(39)-N(8) bond length is 1.38 Å. The C(39)-H(27) bond length is 0.93 Å. In the twelfth C site, C(40) is bonded in a trigonal planar geometry to one N(7), one N(8), and one H(28) atom. The C(40)-N(7) bond length is 1.31 Å. The C(40)-N(8) bond length is 1.36 Å. The C(40)-H(28) bond length is 0.93 Å. In the thirteenth C site, C(41) is bonded in a distorted single-bond geometry to one N(8) atom. The C(41)-N(8) bond length is 1.44 Å. There are four inequivalent N sites. In the first N site, N(5) is bonded in a trigonal planar geometry to one C(15), one C(20), and one C(22) atom. In the second N site, N(6) is bonded in a trigonal planar geometry to one Zn(2), one C(21), and one C(22) atom. In the third N site, N(7) is bonded in a trigonal planar geometry to one Zn(2), one C(38), and one C(40) atom. In the fourth N site, N(8) is bonded in a trigonal planar geometry to one C(39), one C(40), and one C(41) atom. There are eight inequivalent H sites. In the first H site, H(15) is bonded in a single-bond geometry to one C(20) atom. In the second H site, H(16) is bonded in a single-bond geometry to one C(21) atom. In the third H site, H(17) is bonded in a single-bond geometry to one C(22) atom. In the fourth H site, H(18,41) is bonded in a single-bond geometry to one C(25) atom. In the fifth H site, H(21) is bonded in a single-bond geometry to one C(29) atom. In the sixth H site, H(26) is bonded in a single-bond geometry to one C(38) atom. In the seventh H site, H(28) is bonded in a single-bond geometry to one C(40) atom. In the eighth H site, H(27) is bonded in a single-bond geometry to one C(39) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(23) atom. In the second O site, O(3) is bonded in a single-bond geometry to one C(23) atom. In the third O site, O(7) is bonded in a single-bond geometry to one C(31) atom. In the fourth O site, O(8) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(31) atom. In each ZnC14H11(N2O)2 cluster, Zn(3) is bonded in a 4-coordinate geometry to one N(10), one N(12), one H(1), and one O(9) atom. The Zn(3)-N(10) bond length is 2.03 Å. The Zn(3)-N(12) bond length is 2.01 Å. The Zn(3)-H(1) bond length is 2.09 Å. The Zn(3)-O(9) bond length is 1.87 Å. There are fourteen inequivalent C sites. In the first C site, C(43) is bonded in a distorted single-bond geometry to one N(9) atom. The C(43)-N(9) bond length is 1.42 Å. In the second C site, C(44) is bonded in a single-bond geometry to one C(45) and one H(30) atom. The C(44)-C(45) bond length is 1.35 Å. The C(44)-H(30) bond length is 0.93 Å. In the third C site, C(45) is bonded in a distorted trigonal planar geometry to one C(44), one C(46), and one N(11) atom. The C(45)-C(46) bond length is 1.40 Å. The C(45)-N(11) bond length is 1.50 Å. In the fourth C site, C(46) is bonded in a distorted single-bond geometry to one C(45) and one H(31) atom. The C(46)-H(31) bond length is 0.93 Å. In the fifth C site, C(47) is bonded in a 3-coordinate geometry to one C(48), one N(9), and one H(32) atom. The C(47)-C(48) bond length is 1.36 Å. The C(47)-N(9) bond length is 1.38 Å. The C(47)-H(32) bond length is 0.93 Å. In the sixth C site, C(48) is bonded in a 3-coordinate geometry to one C(47), one N(10), and one H(33) atom. The C(48)-N(10) bond length is 1.39 Å. The C(48)-H(33) bond length is 0.93 Å. In the seventh C site, C(49) is bonded in a trigonal planar geometry to one N(10), one N(9), and one H(34) atom. The C(49)-N(10) bond length is 1.33 Å. The C(49)-N(9) bond length is 1.34 Å. The C(49)-H(34) bond length is 0.93 Å. In the eighth C site, C(50) is bonded in a trigonal planar geometry to one N(11), one N(12), and one H(35) atom. The C(50)-N(11) bond length is 1.33 Å. The C(50)-N(12) bond length is 1.40 Å. The C(50)-H(35) bond length is 0.93 Å. In the ninth C site, C(51) is bonded in a distorted trigonal planar geometry to one C(52), one N(12), and one H(36) atom. The C(51)-C(52) bond length is 1.24 Å. The C(51)-N(12) bond length is 1.38 Å. The C(51)-H(36) bond length is 0.93 Å. In the tenth C site, C(52) is bonded in a distorted trigonal planar geometry to one C(51), one N(11), and one H(37) atom. The C(52)-N(11) bond length is 1.40 Å. The C(52)-H(37) bond length is 0.93 Å. In the eleventh C site, C(53) is bonded in a distorted bent 120 degrees geometry to one C(54), one O(10), and one O(9) atom. The C(53)-C(54) bond length is 1.51 Å. The C(53)-O(10) bond length is 1.27 Å. The C(53)-O(9) bond length is 1.24 Å. In the twelfth C site, C(54) is bonded in a trigonal planar geometry to one C(53), one C(55), and one C(59) atom. The C(54)-C(55) bond length is 1.39 Å. The C(54)-C(59) bond length is 1.40 Å. In the thirteenth C site, C(55) is bonded in a distorted single-bond geometry to one C(54) and one H(38) atom. The C(55)-H(38) bond length is 0.93 Å. In the fourteenth C site, C(59) is bonded in a distorted single-bond geometry to one C(54) and one H(18,41) atom. The C(59)-H(18,41) bond length is 0.93 Å. There are four inequivalent N sites. In the first N site, N(9) is bonded in a trigonal planar geometry to one C(43), one C(47), and one C(49) atom. In the second N site, N(10) is bonded in a trigonal planar geometry to one Zn(3), one C(48), and one C(49) atom. In the third N site, N(11) is bonded in a trigonal planar geometry to one C(45), one C(50), and one C(52) atom. In the fourth N site, N(12) is bonded in a distorted trigonal planar geometry to one Zn(3), one C(50), and one C(51) atom. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Zn(3) and one O(10) atom. The H(1)-O(10) bond length is 0.82 Å. In the second H site, H(18,41) is bonded in a single-bond geometry to one C(25) atom. In the third H site, H(32) is bonded in a single-bond geometry to one C(47) atom. In the fourth H site, H(33) is bonded in a single-bond geometry to one C(48) atom. In the fifth H site, H(34) is bonded in a single-bond geometry to one C(49) atom. In the sixth H site, H(30) is bonded in a single-bond geometry to one C(44) atom. In the seventh H site, H(31) is bonded in a single-bond geometry to one C(46) atom. In the eighth H site, H(38) is bonded in a single-bond geometry to one C(55) atom. In the ninth H site, H(35) is bonded in a single-bond geometry to one C(50) atom. In the tenth H site, H(36) is bonded in a single-bond geometry to one C(51) atom. In the eleventh H site, H(37) is bonded in a single-bond geometry to one C(52) atom. There are two inequivalent O sites. In the first O site, O(9) is bonded in a water-like geometry to one Zn(3) and one C(53) atom. In the second O site, O(10) is bonded in a distorted water-like geometry to one C(53) and one H(1) atom. In each ZnC18H12(NO)4 cluster, Zn(1) is bonded in a distorted tetrahedral geometry to one N(1), one N(4), one O(2), and one O(5) atom. The Zn(1)-N(1) bond length is 1.98 Å. The Zn(1)-N(4) bond length is 2.01 Å. The Zn(1)-O(2) bond length is 1.93 Å. The Zn(1)-O(5) bond length is 1.95 Å. There are eighteen inequivalent C sites. In the first 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 1.48 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.20 Å. In the second 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 1.43 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(2,5) atom. The C(3)-H(2,5) bond length is 0.93 Å. In the fourth C site, C(7) is bonded in a distorted single-bond geometry to one C(2) and one H(2,5) atom. The C(7)-H(2,5) bond length is 0.93 Å. In the fifth C site, C(8) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(6) atom. The C(8)-N(1) bond length is 1.29 Å. The C(8)-N(2) bond length is 1.32 Å. The C(8)-H(6) bond length is 0.93 Å. In the sixth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(1), and one H(7) atom. The C(9)-C(10) bond length is 1.37 Å. The C(9)-N(1) bond length is 1.35 Å. The C(9)-H(7) bond length is 0.93 Å. In the seventh C site, C(10) is bonded in a 3-coordinate geometry to one C(9), one N(2), and one H(8) atom. The C(10)-N(2) bond length is 1.39 Å. The C(10)-H(8) bond length is 0.93 Å. In the eighth C site, C(11) is bonded in a distorted single-bond geometry to one N(2) atom. The C(11)-N(2) bond length is 1.38 Å. In the ninth C site, C(12) is bonded in a distorted single-bond geometry to one C(13) and one H(9) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-H(9) bond length is 0.93 Å. In the tenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one N(3) atom. The C(13)-C(14) bond length is 1.34 Å. The C(13)-N(3) bond length is 1.49 Å. In the eleventh C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(10) atom. The C(14)-H(10) bond length is 0.93 Å. In the twelfth C site, C(17) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(12) atom. The C(17)-N(3) bond length is 1.35 Å. The C(17)-N(4) bond length is 1.36 Å. The C(17)-H(12) bond length is 0.93 Å. In the thirteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(19), one N(4), and one H(13) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-N(4) bond length is 1.36 Å. The C(18)-H(13) bond length is 0.93 Å. In the fourteenth C site, C(19) is bonded in a 3-coordinate geometry to one C(18), one N(3), and one H(14) atom. The C(19)-N(3) bond length is 1.37 Å. The C(19)-H(14) bond length is 0.93 Å. In the fifteenth C site, C(26) is bonded in a distorted single-bond geometry to one C(27) and one H(19) atom. The C(26)-C(27) bond length is 1.40 Å. The C(26)-H(19) bond length is 0.93 Å. In the sixteenth C site, C(27) is bonded in a trigonal planar geometry to one C(26), one C(28), and one C(30) atom. The C(27)-C(28) bond length is 1.45 Å. The C(27)-C(30) bond length is 1.49 Å. In the seventeenth C site, C(28) is bonded in a single-bond geometry to one C(27) and one H(20) atom. The C(28)-H(20) bond length is 0.93 Å. In the eighteenth C site, C(30) is bonded in a distorted bent 120 degrees geometry to one C(27), one O(5), and one O(6) atom. The C(30)-O(5) bond length is 1.29 Å. The C(30)-O(6) bond length is 1.26 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(8), and one C(9) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(8) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(13), one C(17), and one C(19) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Zn(1), one C(17), and one C(18) atom. There are eleven inequivalent H sites. In the first H site, H(2,5) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the third H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(12) atom. In the sixth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(12) is bonded in a single-bond geometry to one C(17) atom. In the eighth H site, H(13) is bonded in a single-bond geometry to one C(18) atom. In the ninth H site, H(14) is bonded in a single-bond geometry to one C(19) atom. In the tenth H site, H(19) is bonded in a single-bond geometry to one C(26) atom. In the eleventh 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 single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(1) atom. In the third O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(30) atom. In the fourth O site, O(6) is bonded in a single-bond geometry to one C(30) atom. Linkers: 8 c1cn(-c2cc(-n3ccnc3)cc(-n3ccnc3)c2)cn1 ,1 [O]C(=O)[C@H]1[CH]C=C(C2=C[CH][C@H](C([O])=O)C=C2)C=C1 ,1 [O]C(=O)[C@@H]1[CH]C=C(C2=C[CH][C@@H](C([O])=O)C=C2)C=C1 ,4 [O]C(=O)c1ccc(C([O])=O)cc1 ,2 O=[C]c1ccc(-c2ccc([C]=O)cc2)cc1 ,2 [O]C(=O)c1ccc(-c2ccc(C([O])=O)cc2)cc1. Metal clusters: 8 O=[C]O[Zn]O[C]=O ,4 O[C]O[Zn]. The MOF has largest included sphere 5.38 A, density 1.28 g/cm3, surface area 4599.74 m2/g, accessible volume 0.29 cm3/g