Zn3C42H26(NO2)6(C3H2)8(CH)2C7NH4C15NH10 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four 02329_fluka molecules; eight 2,3-dimethyl-1,3-butadiene molecules; two schembl5425382 molecules; two C15NH10 clusters; and two Zn3C42H26(NO2)6 clusters. In each C15NH10 cluster, there are fifteen inequivalent C sites. In the first C site, C(58) is bonded in a trigonal planar geometry to one C(70), one C(77), and one C(86) atom. The C(58)-C(70) bond length is 1.48 Å. The C(58)-C(77) bond length is 1.37 Å. The C(58)-C(86) bond length is 1.38 Å. In the second C site, C(61) is bonded in a distorted single-bond geometry to one C(70) and one H(38) atom. The C(61)-C(70) bond length is 1.40 Å. The C(61)-H(38) bond length is 0.93 Å. In the third C site, C(66) is bonded in a distorted single-bond geometry to one C(79), one C(82), and one H(40) atom. The C(66)-C(79) bond length is 1.36 Å. The C(66)-C(82) bond length is 1.37 Å. The C(66)-H(40) bond length is 0.93 Å. In the fourth C site, C(67) is bonded in a distorted single-bond geometry to one C(69) and one H(41) atom. The C(67)-C(69) bond length is 1.39 Å. The C(67)-H(41) bond length is 0.93 Å. In the fifth C site, C(68) is bonded in a distorted single-bond geometry to one C(69) and one H(42) atom. The C(68)-C(69) bond length is 1.37 Å. The C(68)-H(42) bond length is 0.93 Å. In the sixth C site, C(69) is bonded in a distorted trigonal planar geometry to one C(67), one C(68), and one N(8) atom. The C(69)-N(8) bond length is 1.45 Å. In the seventh C site, C(70) is bonded in a trigonal planar geometry to one C(58), one C(61), and one C(79) atom. The C(70)-C(79) bond length is 1.36 Å. In the eighth C site, C(75) is bonded in a distorted trigonal planar geometry to one C(83), one C(88), and one N(8) atom. The C(75)-C(83) bond length is 1.35 Å. The C(75)-C(88) bond length is 1.40 Å. The C(75)-N(8) bond length is 1.40 Å. In the ninth C site, C(77) is bonded in a distorted single-bond geometry to one C(58) and one H(47) atom. The C(77)-H(47) bond length is 0.93 Å. In the tenth C site, C(79) is bonded in a distorted trigonal planar geometry to one C(66), one C(70), and one H(49) atom. The C(79)-H(49) bond length is 0.93 Å. In the eleventh C site, C(80) is bonded in a distorted single-bond geometry to one C(82) and one H(50) atom. The C(80)-C(82) bond length is 1.36 Å. The C(80)-H(50) bond length is 0.93 Å. In the twelfth C site, C(82) is bonded in a distorted trigonal planar geometry to one C(66), one C(80), and one N(8) atom. The C(82)-N(8) bond length is 1.47 Å. In the thirteenth C site, C(83) is bonded in a distorted single-bond geometry to one C(75) and one H(52) atom. The C(83)-H(52) bond length is 0.93 Å. In the fourteenth C site, C(86) is bonded in a distorted single-bond geometry to one C(58) and one H(35,54) atom. The C(86)-H(35,54) bond length is 0.93 Å. In the fifteenth C site, C(88) is bonded in a distorted single-bond geometry to one C(75) and one H(56) atom. The C(88)-H(56) bond length is 0.93 Å. N(8) is bonded in a trigonal planar geometry to one C(69), one C(75), and one C(82) atom. There are ten inequivalent H sites. In the first H site, H(35,54) is bonded in a single-bond geometry to one C(56) atom. The H(35,54)-C(56) bond length is 0.93 Å. In the second H site, H(38) is bonded in a single-bond geometry to one C(61) atom. In the third H site, H(40) is bonded in a single-bond geometry to one C(66) atom. In the fourth H site, H(41) is bonded in a single-bond geometry to one C(67) atom. In the fifth H site, H(42) is bonded in a single-bond geometry to one C(68) atom. In the sixth H site, H(47) is bonded in a single-bond geometry to one C(77) atom. In the seventh H site, H(49) is bonded in a single-bond geometry to one C(79) atom. In the eighth H site, H(50) is bonded in a single-bond geometry to one C(80) atom. In the ninth H site, H(52) is bonded in a single-bond geometry to one C(83) atom. In the tenth H site, H(56) is bonded in a single-bond geometry to one C(88) atom. In each Zn3C42H26(NO2)6 cluster, there are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one N(6), one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted corner-sharing ZnNO5 octahedra. The Zn(1)-N(6) bond length is 2.08 Å. The Zn(1)-O(1) bond length is 2.10 Å. The Zn(1)-O(3) bond length is 2.07 Å. The Zn(1)-O(4) bond length is 2.29 Å. The Zn(1)-O(5) bond length is 2.27 Å. The Zn(1)-O(6) bond length is 2.00 Å. In the second Zn site, Zn(2) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form corner-sharing ZnO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 73°. The Zn(2)-O(2) bond length is 1.98 Å. The Zn(2)-O(4) bond length is 2.05 Å. The Zn(2)-O(7) bond length is 2.01 Å. The Zn(2)-O(8) bond length is 2.04 Å. In the third Zn site, Zn(3) is bonded in a 5-coordinate geometry to one N(2), one O(10), one O(11), one O(8), and one O(9) atom. The Zn(3)-N(2) bond length is 2.05 Å. The Zn(3)-O(10) bond length is 2.00 Å. The Zn(3)-O(11) bond length is 1.97 Å. The Zn(3)-O(8) bond length is 2.22 Å. The Zn(3)-O(9) bond length is 2.11 Å. There are forty-two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(13), one C(3), and one C(45) atom. The C(1)-C(13) bond length is 1.38 Å. The C(1)-C(3) bond length is 1.49 Å. The C(1)-C(45) bond length is 1.38 Å. In the second C site, C(3) is bonded in a distorted trigonal planar geometry to one C(1), one N(1), and one N(7) atom. The C(3)-N(1) bond length is 1.37 Å. The C(3)-N(7) bond length is 1.28 Å. In the third C site, C(4) is bonded in a trigonal planar geometry to one C(21), one C(22), and one C(41) atom. The C(4)-C(21) bond length is 1.39 Å. The C(4)-C(22) bond length is 1.50 Å. The C(4)-C(41) bond length is 1.39 Å. In the fourth C site, C(5) is bonded in a trigonal planar geometry to one C(10), one C(30), and one C(39) atom. The C(5)-C(10) bond length is 1.49 Å. The C(5)-C(30) bond length is 1.40 Å. The C(5)-C(39) bond length is 1.34 Å. In the fifth C site, C(9) is bonded in a bent 120 degrees geometry to one C(34), one O(1), and one O(4) atom. The C(9)-C(34) bond length is 1.51 Å. The C(9)-O(1) bond length is 1.26 Å. The C(9)-O(4) bond length is 1.26 Å. In the sixth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one N(3) atom. The C(10)-N(1) bond length is 1.34 Å. The C(10)-N(3) bond length is 1.31 Å. In the seventh C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(40), one O(3), and one O(5) atom. The C(12)-C(40) bond length is 1.50 Å. The C(12)-O(3) bond length is 1.25 Å. The C(12)-O(5) bond length is 1.26 Å. In the eighth C site, C(13) is bonded in a single-bond geometry to one C(1), one C(15), and one H(5) atom. The C(13)-C(15) bond length is 1.39 Å. The C(13)-H(5) bond length is 0.93 Å. In the ninth C site, C(14) is bonded in a trigonal planar geometry to one C(24), one C(33), and one C(38) atom. The C(14)-C(24) bond length is 1.47 Å. The C(14)-C(33) bond length is 1.37 Å. The C(14)-C(38) bond length is 1.41 Å. In the tenth C site, C(15) is bonded in a 3-coordinate geometry to one C(13), one N(6), and one H(6) atom. The C(15)-N(6) bond length is 1.30 Å. The C(15)-H(6) bond length is 0.93 Å. In the eleventh C site, C(18) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(7) atom. The C(18)-N(2) bond length is 1.29 Å. The C(18)-H(7) bond length is 0.93 Å. In the twelfth C site, C(21) is bonded in a distorted single-bond geometry to one C(4) and one H(10) atom. The C(21)-H(10) bond length is 0.93 Å. In the thirteenth C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(2), and one O(6) atom. The C(22)-O(2) bond length is 1.28 Å. The C(22)-O(6) bond length is 1.25 Å. In the fourteenth C site, C(24) is bonded in a trigonal planar geometry to one C(14), one C(42), and one C(44) atom. The C(24)-C(42) bond length is 1.40 Å. The C(24)-C(44) bond length is 1.39 Å. In the fifteenth C site, C(26) is bonded in a distorted single-bond geometry to one C(40) and one H(12) atom. The C(26)-C(40) bond length is 1.38 Å. The C(26)-H(12) bond length is 0.93 Å. In the sixteenth C site, C(28) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(14) atom. The C(28)-N(6) bond length is 1.32 Å. The C(28)-H(14) bond length is 0.93 Å. In the seventeenth C site, C(29) is bonded in a distorted single-bond geometry to one C(40) and one H(15) atom. The C(29)-C(40) bond length is 1.42 Å. The C(29)-H(15) bond length is 0.93 Å. In the eighteenth C site, C(30) is bonded in a distorted single-bond geometry to one C(5) and one H(16) atom. The C(30)-H(16) bond length is 0.93 Å. In the nineteenth C site, C(33) is bonded in a distorted single-bond geometry to one C(14), one C(50), and one H(19) atom. The C(33)-C(50) bond length is 1.39 Å. The C(33)-H(19) bond length is 0.93 Å. In the twentieth C site, C(34) is bonded in a trigonal planar geometry to one C(46), one C(50), and one C(9) atom. The C(34)-C(46) bond length is 1.39 Å. The C(34)-C(50) bond length is 1.42 Å. In the twenty-first C site, C(38) is bonded in a single-bond geometry to one C(14) and one H(22) atom. The C(38)-H(22) bond length is 0.93 Å. In the twenty-second C site, C(39) is bonded in a single-bond geometry to one C(5) and one H(23) atom. The C(39)-H(23) bond length is 0.93 Å. In the twenty-third C site, C(40) is bonded in a trigonal planar geometry to one C(12), one C(26), and one C(29) atom. In the twenty-fourth C site, C(41) is bonded in a single-bond geometry to one C(4) and one H(24) atom. The C(41)-H(24) bond length is 0.93 Å. In the twenty-fifth C site, C(42) is bonded in a distorted single-bond geometry to one C(24) and one H(25) atom. The C(42)-H(25) bond length is 0.93 Å. In the twenty-sixth C site, C(44) is bonded in a distorted single-bond geometry to one C(24) and one H(27) atom. The C(44)-H(27) bond length is 0.93 Å. In the twenty-seventh C site, C(45) is bonded in a distorted single-bond geometry to one C(1) and one H(28) atom. The C(45)-H(28) bond length is 0.93 Å. In the twenty-eighth C site, C(46) is bonded in a distorted single-bond geometry to one C(34) and one H(29) atom. The C(46)-H(29) bond length is 0.93 Å. In the twenty-ninth C site, C(50) is bonded in a distorted trigonal planar geometry to one C(33), one C(34), and one H(33) atom. The C(50)-H(33) bond length is 0.93 Å. In the thirtieth C site, C(51) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(34) atom. The C(51)-N(2) bond length is 1.36 Å. The C(51)-H(34) bond length is 0.93 Å. In the thirty-first C site, C(52) is bonded in a bent 120 degrees geometry to one C(54), one O(8), and one O(9) atom. The C(52)-C(54) bond length is 1.49 Å. The C(52)-O(8) bond length is 1.31 Å. The C(52)-O(9) bond length is 1.24 Å. In the thirty-second C site, C(54) is bonded in a trigonal planar geometry to one C(52), one C(76), and one C(81) atom. The C(54)-C(76) bond length is 1.38 Å. The C(54)-C(81) bond length is 1.39 Å. In the thirty-third C site, C(55) is bonded in a trigonal planar geometry to one C(57), one C(64), and one C(87) atom. The C(55)-C(57) bond length is 1.47 Å. The C(55)-C(64) bond length is 1.37 Å. The C(55)-C(87) bond length is 1.39 Å. In the thirty-fourth C site, C(57) is bonded in a distorted bent 120 degrees geometry to one C(55), one O(11), and one O(7) atom. The C(57)-O(11) bond length is 1.27 Å. The C(57)-O(7) bond length is 1.27 Å. In the thirty-fifth C site, C(64) is bonded in a distorted single-bond geometry to one C(55) and one H(39) atom. The C(64)-H(39) bond length is 0.93 Å. In the thirty-sixth C site, C(71) is bonded in a single-bond geometry to one C(73) and one H(43) atom. The C(71)-C(73) bond length is 1.41 Å. The C(71)-H(43) bond length is 0.93 Å. In the thirty-seventh C site, C(73) is bonded in a trigonal planar geometry to one C(71), one C(84), and one C(85) atom. The C(73)-C(84) bond length is 1.37 Å. The C(73)-C(85) bond length is 1.47 Å. In the thirty-eighth C site, C(76) is bonded in a distorted single-bond geometry to one C(54) and one H(46,51) atom. The C(76)-H(46,51) bond length is 0.93 Å. In the thirty-ninth C site, C(81) is bonded in a single-bond geometry to one C(54) and one H(46,51) atom. The C(81)-H(46,51) bond length is 0.93 Å. In the fortieth C site, C(84) is bonded in a distorted single-bond geometry to one C(73) and one H(53) atom. The C(84)-H(53) bond length is 0.93 Å. In the forty-first C site, C(85) is bonded in a distorted bent 120 degrees geometry to one C(73), one O(10), and one O(12) atom. The C(85)-O(10) bond length is 1.29 Å. The C(85)-O(12) bond length is 1.23 Å. In the forty-second C site, C(87) is bonded in a single-bond geometry to one C(55) and one H(55) atom. The C(87)-H(55) bond length is 0.93 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted water-like geometry to one C(10), one C(3), and one N(4) atom. The N(1)-N(4) bond length is 1.40 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(3), one C(18), and one C(51) atom. In the third N site, N(3) is bonded in a single-bond geometry to one C(10) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one N(1) and two equivalent H(1,2) atoms. Both N(4)-H(1,2) bond lengths are 0.86 Å. In the fifth N site, N(6) is bonded in a trigonal planar geometry to one Zn(1), one C(15), and one C(28) atom. In the sixth N site, N(7) is bonded in a single-bond geometry to one C(3) atom. There are twenty-four inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one N(4) atom. In the second H site, H(5) is bonded in a single-bond geometry to one C(13) atom. In the third H site, H(6) is bonded in a single-bond geometry to one C(15) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(18) atom. In the fifth H site, H(10) is bonded in a single-bond geometry to one C(21) atom. In the sixth H site, H(12) is bonded in a single-bond geometry to one C(26) atom. In the seventh H site, H(14) is bonded in a single-bond geometry to one C(28) atom. In the eighth H site, H(15) is bonded in a single-bond geometry to one C(29) atom. In the ninth H site, H(16) is bonded in a single-bond geometry to one C(30) atom. In the tenth H site, H(19) is bonded in a single-bond geometry to one C(33) atom. In the eleventh H site, H(22) is bonded in a single-bond geometry to one C(38) atom. In the twelfth H site, H(23) is bonded in a single-bond geometry to one C(39) atom. In the thirteenth H site, H(24) is bonded in a single-bond geometry to one C(41) atom. In the fourteenth H site, H(25) is bonded in a single-bond geometry to one C(42) atom. In the fifteenth H site, H(27) is bonded in a single-bond geometry to one C(44) atom. In the sixteenth H site, H(28) is bonded in a single-bond geometry to one C(45) atom. In the seventeenth H site, H(29) is bonded in a single-bond geometry to one C(46) atom. In the eighteenth H site, H(33) is bonded in a single-bond geometry to one C(50) atom. In the nineteenth H site, H(34) is bonded in a single-bond geometry to one C(51) atom. In the twentieth H site, H(39) is bonded in a single-bond geometry to one C(64) atom. In the twenty-first H site, H(43) is bonded in a single-bond geometry to one C(71) atom. In the twenty-second H site, H(46,51) is bonded in a single-bond geometry to one C(76) atom. In the twenty-third H site, H(53) is bonded in a single-bond geometry to one C(84) atom. In the twenty-fourth H site, H(55) is bonded in a single-bond geometry to one C(87) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Zn(1) and one C(9) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(22) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Zn(1) and one C(12) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(2), and one C(9) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one Zn(1) and one C(12) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(22) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one C(57) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Zn(2), one Zn(3), and one C(52) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Zn(3) and one C(52) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Zn(3) and one C(85) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one C(57) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one C(85) atom. Linkers: 2 Nn1c(-c2ccncc2)nnc1-c1ccncc1 ,4 [O]C(=O)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C([O])=O)cc4)cc3)c3ccc(-c4ccc(C([O])=O)cc4)cc3)cc2)cc1. Metal clusters: 2 O=[C]O[Zn]1O[C]O[Zn]2(O[C]O1)O[C]O[Zn]1(O[C]O2)O[C]O1. The MOF has largest included sphere 9.77 A, density 0.73 g/cm3, surface area 4830.56 m2/g, accessible volume 0.98 cm3/g