Zn3C53N9H29O14CH is Indium-derived structured and crystallizes in the tetragonal I4/m space group. The structure is zero-dimensional and consists of sixteen 02329_fluka molecules and two Zn3C53N9H29O14 clusters. In each Zn3C53N9H29O14 cluster, there are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a square pyramidal geometry to one O(10), one O(12), one O(2), one O(5), and one O(9) atom. The Zn(1)-O(10) bond length is 1.97 Å. The Zn(1)-O(12) bond length is 1.97 Å. The Zn(1)-O(2) bond length is 2.16 Å. The Zn(1)-O(5) bond length is 1.94 Å. The Zn(1)-O(9) bond length is 1.95 Å. In the second Zn site, Zn(2) is bonded in a square pyramidal geometry to one O(1), one O(11), one O(13), one O(14), and one O(3) atom. The Zn(2)-O(1) bond length is 2.14 Å. The Zn(2)-O(11) bond length is 1.97 Å. The Zn(2)-O(13) bond length is 1.97 Å. The Zn(2)-O(14) bond length is 1.97 Å. The Zn(2)-O(3) bond length is 1.94 Å. In the third Zn site, Zn(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(4) and two equivalent O(7) atoms. Both Zn(3)-O(4) bond lengths are 1.97 Å. Both Zn(3)-O(7) bond lengths are 1.96 Å. In the fourth Zn site, Zn(4) is bonded in a distorted square co-planar geometry to two equivalent O(6) and two equivalent O(8) atoms. Both Zn(4)-O(6) bond lengths are 1.97 Å. Both Zn(4)-O(8) bond lengths are 1.96 Å. There are fifty-three inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(37) and one H(1) atom. The C(1)-C(37) bond length is 1.39 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(39) and one H(2) atom. The C(2)-C(39) bond length is 1.38 Å. The C(2)-H(2) bond length is 0.93 Å. In the third C site, C(3) is bonded in a single-bond geometry to one C(4), one C(43), and one H(30) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-C(43) bond length is 1.45 Å. The C(3)-H(30) bond length is 0.98 Å. In the fourth C site, C(4) is bonded in a 4-coordinate geometry to one C(3), one C(6), one H(3), and one H(30) atom. The C(4)-C(6) bond length is 1.39 Å. The C(4)-H(3) bond length is 0.93 Å. The C(4)-H(30) bond length is 1.72 Å. In the fifth C site, C(6) is bonded in a distorted single-bond geometry to one C(4), one C(8), and one H(5) atom. The C(6)-C(8) bond length is 1.32 Å. The C(6)-H(5) bond length is 0.93 Å. In the sixth C site, C(7) is bonded in a distorted single-bond geometry to one C(8) and one H(6) atom. The C(7)-C(8) bond length is 1.30 Å. The C(7)-H(6) bond length is 0.93 Å. In the seventh C site, C(8) is bonded in a trigonal planar geometry to one C(6), one C(7), and one C(9) atom. The C(8)-C(9) bond length is 1.48 Å. In the eighth C site, C(10) is bonded in a single-bond geometry to one C(27), one C(9), and one H(7) atom. The C(10)-C(27) bond length is 1.40 Å. The C(10)-C(9) bond length is 1.40 Å. The C(10)-H(7) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(8) atom. The C(9)-C(11) bond length is 1.40 Å. In the tenth C site, C(12) is bonded in a distorted single-bond geometry to one C(14), one C(17), and one H(11) atom. The C(12)-C(14) bond length is 1.38 Å. The C(12)-C(17) bond length is 1.38 Å. The C(12)-H(11) bond length is 0.93 Å. In the eleventh C site, C(13) is bonded in a bent 120 degrees geometry to one C(17), one O(3), and one O(5) atom. The C(13)-C(17) bond length is 1.52 Å. The C(13)-O(3) bond length is 1.27 Å. The C(13)-O(5) bond length is 1.25 Å. In the twelfth C site, C(14) is bonded in a trigonal planar geometry to one C(12), one C(15), and one C(16) atom. The C(14)-C(15) bond length is 1.52 Å. The C(14)-C(16) bond length is 1.38 Å. In the thirteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(14), one O(4), and one O(6) atom. The C(15)-O(4) bond length is 1.25 Å. The C(15)-O(6) bond length is 1.23 Å. In the fourteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(14) and one H(12) atom. The C(16)-H(12) bond length is 0.93 Å. In the fifteenth C site, C(17) is bonded in a trigonal planar geometry to one C(12), one C(13), and one C(20) atom. The C(17)-C(20) bond length is 1.39 Å. In the sixteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(28), one C(35), and one H(13) atom. The C(18)-C(28) bond length is 1.25 Å. The C(18)-C(35) bond length is 1.46 Å. The C(18)-H(13) bond length is 0.93 Å. In the seventeenth C site, C(19) is bonded in a trigonal planar geometry to one C(25), one C(34), and one C(45) atom. The C(19)-C(25) bond length is 1.26 Å. The C(19)-C(34) bond length is 1.37 Å. The C(19)-C(45) bond length is 1.48 Å. In the eighteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(17) and one H(14) atom. The C(20)-H(14) bond length is 0.93 Å. In the nineteenth C site, C(21) is bonded in a distorted single-bond geometry to one N(1) atom. The C(21)-N(1) bond length is 1.43 Å. In the twentieth C site, C(22) is bonded in a trigonal planar geometry to one C(27), one C(31), and one C(33) atom. The C(22)-C(27) bond length is 1.49 Å. The C(22)-C(31) bond length is 1.34 Å. The C(22)-C(33) bond length is 1.34 Å. In the twenty-first C site, C(23) is bonded in a trigonal planar geometry to one C(11), one C(24), and one C(30) atom. The C(23)-C(11) bond length is 1.41 Å. The C(23)-C(24) bond length is 1.36 Å. The C(23)-C(30) bond length is 1.49 Å. In the twenty-second C site, C(24) is bonded in a distorted single-bond geometry to one C(23), one C(27), and one H(15) atom. The C(24)-C(27) bond length is 1.39 Å. The C(24)-H(15) bond length is 0.93 Å. In the twenty-third C site, C(25) is bonded in a distorted trigonal planar geometry to one C(19), one C(33), and one H(16) atom. The C(25)-C(33) bond length is 1.39 Å. The C(25)-H(16) bond length is 0.93 Å. In the twenty-fourth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one C(32), one N(1), and one H(17) atom. The C(26)-C(32) bond length is 1.35 Å. The C(26)-N(1) bond length is 1.32 Å. The C(26)-H(17) bond length is 0.93 Å. In the twenty-fifth C site, C(27) is bonded in a trigonal planar geometry to one C(10), one C(22), and one C(24) atom. In the twenty-sixth C site, C(28) is bonded in a trigonal planar geometry to one C(18), one C(32), and one C(36) atom. The C(28)-C(32) bond length is 1.47 Å. The C(28)-C(36) bond length is 1.40 Å. In the twenty-seventh C site, C(29) is bonded in a distorted single-bond geometry to one C(30), one C(36), and one H(18) atom. The C(29)-C(30) bond length is 1.35 Å. The C(29)-C(36) bond length is 1.41 Å. The C(29)-H(18) bond length is 0.93 Å. In the twenty-eighth C site, C(30) is bonded in a trigonal planar geometry to one C(23), one C(29), and one C(35) atom. The C(30)-C(35) bond length is 1.33 Å. In the twenty-ninth C site, C(31) is bonded in a distorted single-bond geometry to one C(22), one C(34), and one H(19) atom. The C(31)-C(34) bond length is 1.37 Å. The C(31)-H(19) bond length is 0.93 Å. In the thirtieth C site, C(32) is bonded in a distorted single-bond geometry to one C(26), one C(28), and one N(2) atom. The C(32)-N(2) bond length is 1.32 Å. In the thirty-first C site, C(33) is bonded in a distorted single-bond geometry to one C(22), one C(25), and one H(20) atom. The C(33)-H(20) bond length is 0.93 Å. In the thirty-second C site, C(34) is bonded in a distorted trigonal planar geometry to one C(19), one C(31), and one H(21) atom. The C(34)-H(21) bond length is 0.93 Å. In the thirty-third C site, C(35) is bonded in a distorted trigonal planar geometry to one C(18), one C(30), and one H(22) atom. The C(35)-H(22) bond length is 0.93 Å. In the thirty-fourth C site, C(37) is bonded in a trigonal planar geometry to one C(1), one C(38), and one C(40) atom. The C(37)-C(38) bond length is 1.38 Å. The C(37)-C(40) bond length is 1.52 Å. In the thirty-fifth C site, C(38) is bonded in a distorted single-bond geometry to one C(37), one C(39), and one H(24) atom. The C(38)-C(39) bond length is 1.39 Å. The C(38)-H(24) bond length is 0.93 Å. In the thirty-sixth C site, C(39) is bonded in a trigonal planar geometry to one C(2), one C(38), and one C(52) atom. The C(39)-C(52) bond length is 1.53 Å. In the thirty-seventh C site, C(40) is bonded in a bent 120 degrees geometry to one C(37), one O(7), and one O(8) atom. The C(40)-O(7) bond length is 1.23 Å. The C(40)-O(8) bond length is 1.26 Å. In the thirty-eighth C site, C(43) is bonded in a 4-coordinate geometry to one C(3), one C(42), one N(5), and one H(30) atom. The C(43)-C(42) bond length is 1.38 Å. The C(43)-N(5) bond length is 1.37 Å. The C(43)-H(30) bond length is 1.76 Å. In the thirty-ninth C site, C(11) is bonded in a distorted single-bond geometry to one C(23), one C(9), and one H(8) atom. The C(11)-H(8) bond length is 0.93 Å. In the fortieth C site, C(36) is bonded in a trigonal planar geometry to one C(28), one C(29), and one H(23) atom. The C(36)-H(23) bond length is 0.93 Å. In the forty-first C site, C(41) is bonded in a single-bond geometry to one N(4) atom. The C(41)-N(4) bond length is 1.46 Å. In the forty-second C site, C(42) is bonded in a 3-coordinate geometry to one C(43), one N(4), and one H(25) atom. The C(42)-N(4) bond length is 1.32 Å. The C(42)-H(25) bond length is 0.93 Å. In the forty-third C site, C(44) is bonded in a distorted bent 120 degrees geometry to one C(45), one N(6), and one H(26) atom. The C(44)-C(45) bond length is 1.33 Å. The C(44)-N(6) bond length is 1.31 Å. The C(44)-H(26) bond length is 0.93 Å. In the forty-fourth C site, C(45) is bonded in a 3-coordinate geometry to one C(19), one C(44), and one N(8) atom. The C(45)-N(8) bond length is 1.35 Å. In the forty-fifth C site, C(46) is bonded in a distorted single-bond geometry to one C(48), one C(51), and one H(27) atom. The C(46)-C(48) bond length is 1.36 Å. The C(46)-C(51) bond length is 1.39 Å. The C(46)-H(27) bond length is 0.93 Å. In the forty-sixth C site, C(47) is bonded in a distorted single-bond geometry to one C(48), one C(50), and one H(28) atom. The C(47)-C(48) bond length is 1.39 Å. The C(47)-C(50) bond length is 1.39 Å. The C(47)-H(28) bond length is 0.93 Å. In the forty-seventh C site, C(48) is bonded in a trigonal planar geometry to one C(46), one C(47), and one N(6) atom. The C(48)-N(6) bond length is 1.44 Å. In the forty-eighth C site, C(49) is bonded in a distorted single-bond geometry to one C(50), one C(51), and one H(29) atom. The C(49)-C(50) bond length is 1.37 Å. The C(49)-C(51) bond length is 1.40 Å. The C(49)-H(29) bond length is 0.93 Å. In the forty-ninth C site, C(50) is bonded in a trigonal planar geometry to one C(47), one C(49), and one C(54) atom. The C(50)-C(54) bond length is 1.51 Å. In the fiftieth C site, C(51) is bonded in a trigonal planar geometry to one C(46), one C(49), and one C(53) atom. The C(51)-C(53) bond length is 1.50 Å. In the fifty-first C site, C(52) is bonded in a distorted bent 120 degrees geometry to one C(39), one O(10), and one O(11) atom. The C(52)-O(10) bond length is 1.26 Å. The C(52)-O(11) bond length is 1.22 Å. In the fifty-second C site, C(53) is bonded in a bent 120 degrees geometry to one C(51), one O(13), and one O(9) atom. The C(53)-O(13) bond length is 1.25 Å. The C(53)-O(9) bond length is 1.26 Å. In the fifty-third C site, C(54) is bonded in a distorted bent 120 degrees geometry to one C(50), one O(12), and one O(14) atom. The C(54)-O(12) bond length is 1.25 Å. The C(54)-O(14) bond length is 1.23 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one C(21), one C(26), and one N(3) atom. The N(1)-N(3) bond length is 1.32 Å. In the second N site, N(2) is bonded in a single-bond geometry to one C(32) atom. In the third N site, N(3) is bonded in a single-bond geometry to one N(1) atom. In the fourth N site, N(4) is bonded in a distorted bent 120 degrees geometry to one C(41), one C(42), and one N(9) atom. The N(4)-N(9) bond length is 1.32 Å. In the fifth N site, N(5) is bonded in a single-bond geometry to one C(43) and one N(9) atom. The N(5)-N(9) bond length is 1.30 Å. In the sixth N site, N(6) is bonded in a distorted single-bond geometry to one C(44), one C(48), and one N(7) atom. The N(6)-N(7) bond length is 1.31 Å. In the seventh N site, N(7) is bonded in a distorted water-like geometry to one N(6) and one N(8) atom. The N(7)-N(8) bond length is 1.29 Å. In the eighth N site, N(8) is bonded in a single-bond geometry to one C(45) and one N(7) atom. In the ninth N site, N(9) is bonded in a distorted water-like geometry to one N(4) and one N(5) atom. There are twenty-nine 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(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one O(1) atom. The H(9)-O(1) bond length is 0.82 Å. In the ninth H site, H(10) is bonded in a single-bond geometry to one O(2) atom. The H(10)-O(2) bond length is 0.82 Å. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(12) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(16) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(18) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(20) atom. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one C(24) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(25) atom. In the sixteenth H site, H(17) is bonded in a single-bond geometry to one C(26) atom. In the seventeenth H site, H(18) is bonded in a single-bond geometry to one C(29) atom. In the eighteenth H site, H(19) is bonded in a single-bond geometry to one C(31) atom. In the nineteenth H site, H(20) is bonded in a single-bond geometry to one C(33) atom. In the twentieth H site, H(21) is bonded in a single-bond geometry to one C(34) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one C(35) atom. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one C(36) atom. In the twenty-third H site, H(24) is bonded in a single-bond geometry to one C(38) atom. In the twenty-fourth H site, H(25) is bonded in a single-bond geometry to one C(42) atom. In the twenty-fifth H site, H(26) is bonded in a single-bond geometry to one C(44) atom. In the twenty-sixth H site, H(27) is bonded in a single-bond geometry to one C(46) atom. In the twenty-seventh H site, H(28) is bonded in a single-bond geometry to one C(47) atom. In the twenty-eighth H site, H(29) is bonded in a single-bond geometry to one C(49) atom. In the twenty-ninth H site, H(30) is bonded in a single-bond geometry to one C(3), one C(4), and one C(43) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Zn(2) and one H(9) atom. In the second O site, O(2) is bonded in a water-like geometry to one Zn(1) and one H(10) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(13) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(15) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(13) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Zn(4) and one C(15) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(40) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Zn(4) and one C(40) atom. In the ninth O site, O(10) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(52) atom. In the tenth O site, O(11) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(52) atom. In the eleventh O site, O(9) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(53) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(54) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(53) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(54) atom. Linkers: 8 [O]C(=O)c1cc(C([O])=O)cc(-n2cc(-c3ccc(-c4cc(C5=C[CH][C@@H](c6cn(-c7cc(C([O])=O)cc(C([O])=O)c7)nn6)C=C5)cc(-c5ccc(-c6cn(-c7cc(C([O])=O)cc(C([O])=O)c7)nn6)cc5)c4)cc3)nn2)c1 ,8 [O]C(=O)c1cc(C([O])=O)cc(-n2cc(-c3ccc(-c4cc(C5=C[CH][C@H](c6cn(-c7cc(C([O])=O)cc(C([O])=O)c7)nn6)C=C5)cc(-c5ccc(-c6cn(-c7cc(C([O])=O)cc(C([O])=O)c7)nn6)cc5)c4)cc3)nn2)c1. Metal clusters: 16 O[Zn]1234O[C]O[Zn]1(O)(O[C]O2)(O[C]O3)O[C]O4 ,8 [C]1O[Zn]234O[C]O[Zn]2(O1)(O[C]O3)O[C]O4. The MOF has largest included sphere 24.29 A, density 0.41 g/cm3, surface area 4254.26 m2/g, accessible volume 2.05 cm3/g