Zn6C126N36H66O25(CH)6 crystallizes in the orthorhombic C222_1 space group. The structure consists of twenty-four 02329_fluka molecules inside a Zn6C126N36H66O25 framework. In the Zn6C126N36H66O25 framework, there are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(10), one O(11), one O(13), and one O(6) atom to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(10) bond length is 1.94 Å. The Zn(1)-O(11) bond length is 1.94 Å. The Zn(1)-O(13) bond length is 2.06 Å. The Zn(1)-O(6) bond length is 1.92 Å. In the second Zn site, Zn(2) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom. The Zn(2)-O(1) bond length is 2.06 Å. The Zn(2)-O(2) bond length is 2.12 Å. The Zn(2)-O(3) bond length is 2.05 Å. The Zn(2)-O(4) bond length is 2.11 Å. The Zn(2)-O(5) bond length is 2.04 Å. The Zn(2)-O(8) bond length is 2.08 Å. In the third Zn site, Zn(3) is bonded in a distorted trigonal planar geometry to one O(12), one O(7), and one O(9) atom. The Zn(3)-O(12) bond length is 1.97 Å. The Zn(3)-O(7) bond length is 1.98 Å. The Zn(3)-O(9) bond length is 1.98 Å. There are sixty-three 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(2), and one O(6) atom. The C(1)-C(2) bond length is 1.47 Å. The C(1)-O(2) bond length is 1.27 Å. The C(1)-O(6) bond length is 1.27 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 1.39 Å. The C(2)-C(7) bond length is 1.39 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(1) atom. The C(3)-H(1) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to 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 0.93 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one N(1) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-N(1) bond length is 1.38 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5) and one H(3) atom. The C(6)-H(3) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a single-bond geometry to one C(2) and one H(4) atom. The C(7)-H(4) bond length is 0.93 Å. In the eighth C site, C(8) is bonded in a 2-coordinate geometry to one C(9), one N(1), and one H(5) atom. The C(8)-C(9) bond length is 1.35 Å. The C(8)-N(1) bond length is 1.35 Å. The C(8)-H(5) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one N(2) atom. The C(9)-C(10) bond length is 1.42 Å. The C(9)-N(2) bond length is 1.35 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one C(15), and one C(9) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-C(15) bond length is 1.39 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(10), one C(12), and one H(6) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-H(6) bond length is 0.93 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(16) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-C(16) bond length is 1.53 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(12), one C(14), and one H(7) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-H(7) bond length is 0.93 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(25) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-C(25) bond length is 1.47 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(10), one C(14), and one H(8) atom. The C(15)-H(8) bond length is 0.93 Å. In the sixteenth C site, C(16) is bonded in a 2-coordinate geometry to one C(12), one C(17), and one N(4) atom. The C(16)-C(17) bond length is 1.35 Å. The C(16)-N(4) bond length is 1.35 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(6), and one H(9) atom. The C(17)-N(6) bond length is 1.35 Å. The C(17)-H(9) bond length is 0.93 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(23) and one N(6) atom. The C(18)-C(23) bond length is 1.39 Å. The C(18)-N(6) bond length is 1.35 Å. In the nineteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(21) and one H(11) atom. The C(20)-C(21) bond length is 1.39 Å. The C(20)-H(11) bond length is 0.93 Å. In the twentieth C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(24) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-C(24) bond length is 1.46 Å. In the twenty-first C site, C(22) is bonded in a distorted single-bond geometry to one C(21), one C(23), and one H(12) atom. The C(22)-C(23) bond length is 1.39 Å. The C(22)-H(12) bond length is 0.93 Å. In the twenty-second C site, C(23) is bonded in a distorted trigonal planar geometry to one C(18), one C(22), and one H(13) atom. The C(23)-H(13) bond length is 0.93 Å. In the twenty-third C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(21), one O(1), and one O(10) atom. The C(24)-O(1) bond length is 1.23 Å. The C(24)-O(10) bond length is 1.30 Å. In the twenty-fourth C site, C(25) is bonded in a distorted single-bond geometry to one C(14), one C(26), and one N(9) atom. The C(25)-C(26) bond length is 1.38 Å. The C(25)-N(9) bond length is 1.38 Å. In the twenty-fifth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(25), one N(7), and one H(14) atom. The C(26)-N(7) bond length is 1.38 Å. The C(26)-H(14) bond length is 0.93 Å. In the twenty-sixth C site, C(27) is bonded in a trigonal planar geometry to one C(28), one C(32), and one N(7) atom. The C(27)-C(28) bond length is 1.39 Å. The C(27)-C(32) bond length is 1.39 Å. The C(27)-N(7) bond length is 1.35 Å. In the twenty-seventh C site, C(28) is bonded in a distorted trigonal planar geometry to one C(27), one C(29), and one H(15) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-H(15) bond length is 0.93 Å. In the twenty-eighth C site, C(29) is bonded in a distorted single-bond geometry to one C(28), one C(30), and one H(16) atom. The C(29)-C(30) bond length is 1.39 Å. The C(29)-H(16) bond length is 0.93 Å. In the twenty-ninth C site, C(30) is bonded in a trigonal planar geometry to one C(29), one C(31), and one C(33) atom. The C(30)-C(31) bond length is 1.39 Å. The C(30)-C(33) bond length is 1.49 Å. In the thirtieth C site, C(31) is bonded in a single-bond geometry to one C(30) and one H(17) atom. The C(31)-H(17) bond length is 0.93 Å. In the thirty-first C site, C(32) is bonded in a distorted single-bond geometry to one C(27) and one H(18) atom. The C(32)-H(18) bond length is 0.93 Å. In the thirty-second C site, C(33) is bonded in a bent 120 degrees geometry to one C(30), one O(11), and one O(3) atom. The C(33)-O(11) bond length is 1.25 Å. The C(33)-O(3) bond length is 1.28 Å. In the thirty-third C site, C(34) is bonded in a distorted bent 120 degrees geometry to one C(35), one O(8), and one O(9) atom. The C(34)-C(35) bond length is 1.48 Å. The C(34)-O(8) bond length is 1.25 Å. The C(34)-O(9) bond length is 1.27 Å. In the thirty-fourth C site, C(35) is bonded in a trigonal planar geometry to one C(34), one C(36), and one C(40) atom. The C(35)-C(36) bond length is 1.39 Å. The C(35)-C(40) bond length is 1.39 Å. In the thirty-fifth C site, C(36) is bonded in a distorted single-bond geometry to one C(35) and one H(19) atom. The C(36)-H(19) bond length is 0.93 Å. In the thirty-sixth C site, C(37) is bonded in a distorted single-bond geometry to one C(38) and one H(20) atom. The C(37)-C(38) bond length is 1.39 Å. The C(37)-H(20) bond length is 0.93 Å. In the thirty-seventh C site, C(38) is bonded in a distorted trigonal planar geometry to one C(37), one C(39), and one N(10) atom. The C(38)-C(39) bond length is 1.39 Å. The C(38)-N(10) bond length is 1.40 Å. In the thirty-eighth C site, C(39) is bonded in a single-bond geometry to one C(38) and one H(21) atom. The C(39)-H(21) bond length is 0.93 Å. In the thirty-ninth C site, C(40) is bonded in a distorted single-bond geometry to one C(35) and one H(22) atom. The C(40)-H(22) bond length is 0.93 Å. In the fortieth C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(42), one N(10), and one H(23) atom. The C(41)-C(42) bond length is 1.31 Å. The C(41)-N(10) bond length is 1.31 Å. The C(41)-H(23) bond length is 0.93 Å. In the forty-first C site, C(42) is bonded in a distorted trigonal planar geometry to one C(41), one C(43), and one N(11) atom. The C(42)-C(43) bond length is 1.45 Å. The C(42)-N(11) bond length is 1.31 Å. In the forty-second C site, C(43) is bonded in a trigonal planar geometry to one C(42), one C(44), and one C(48) atom. The C(43)-C(44) bond length is 1.39 Å. The C(43)-C(48) bond length is 1.39 Å. In the forty-third C site, C(44) is bonded in a distorted single-bond geometry to one C(43) and one H(24) atom. The C(44)-H(24) bond length is 0.93 Å. In the forty-fourth C site, C(45) is bonded in a single-bond geometry to one C(46) and one C(50) atom. The C(45)-C(46) bond length is 1.39 Å. The C(45)-C(50) bond length is 1.49 Å. In the forty-fifth C site, C(46) is bonded in a distorted trigonal planar geometry to one C(45), one C(47), and one H(25) atom. The C(46)-C(47) bond length is 1.39 Å. The C(46)-H(25) bond length is 0.93 Å. In the forty-sixth C site, C(47) is bonded in a distorted trigonal planar geometry to one C(46), one C(48), and one C(58) atom. The C(47)-C(48) bond length is 1.39 Å. The C(47)-C(58) bond length is 1.52 Å. In the forty-seventh C site, C(48) is bonded in a distorted single-bond geometry to one C(43), one C(47), and one H(26) atom. The C(48)-H(26) bond length is 0.93 Å. In the forty-eighth C site, C(49) is bonded in a 2-coordinate geometry to one C(50), one N(15), and one H(27) atom. The C(49)-C(50) bond length is 1.36 Å. The C(49)-N(15) bond length is 1.36 Å. The C(49)-H(27) bond length is 0.93 Å. In the forty-ninth C site, C(50) is bonded in a trigonal planar geometry to one C(45), one C(49), and one N(13) atom. The C(50)-N(13) bond length is 1.36 Å. In the fiftieth C site, C(51) is bonded in a distorted single-bond geometry to one C(52) and one N(15) atom. The C(51)-C(52) bond length is 1.39 Å. The C(51)-N(15) bond length is 1.40 Å. In the fifty-first C site, C(52) is bonded in a distorted trigonal planar geometry to one C(51), one C(53), and one H(28) atom. The C(52)-C(53) bond length is 1.39 Å. The C(52)-H(28) bond length is 0.93 Å. In the fifty-second C site, C(53) is bonded in a distorted single-bond geometry to one C(52), one C(54), and one H(29) atom. The C(53)-C(54) bond length is 1.39 Å. The C(53)-H(29) bond length is 0.93 Å. In the fifty-third C site, C(54) is bonded in a trigonal planar geometry to one C(53), one C(55), and one C(57) atom. The C(54)-C(55) bond length is 1.39 Å. The C(54)-C(57) bond length is 1.47 Å. In the fifty-fourth C site, C(55) is bonded in a single-bond geometry to one C(54) and one H(30) atom. The C(55)-H(30) bond length is 0.93 Å. In the fifty-fifth C site, C(57) is bonded in a distorted bent 120 degrees geometry to one C(54), one O(12), and one O(5) atom. The C(57)-O(12) bond length is 1.24 Å. The C(57)-O(5) bond length is 1.24 Å. In the fifty-sixth C site, C(58) is bonded in a distorted trigonal planar geometry to one C(47), one C(59), and one N(18) atom. The C(58)-C(59) bond length is 1.28 Å. The C(58)-N(18) bond length is 1.28 Å. In the fifty-seventh C site, C(59) is bonded in a distorted bent 120 degrees geometry to one C(58), one N(16), and one H(32) atom. The C(59)-N(16) bond length is 1.28 Å. The C(59)-H(32) bond length is 0.93 Å. In the fifty-eighth C site, C(60) is bonded in a single-bond geometry to one C(65) and one N(16) atom. The C(60)-C(65) bond length is 1.39 Å. The C(60)-N(16) bond length is 1.42 Å. In the fifty-ninth C site, C(62) is bonded in a single-bond geometry to one C(63) and one H(34) atom. The C(62)-C(63) bond length is 1.39 Å. The C(62)-H(34) bond length is 0.93 Å. In the sixtieth C site, C(63) is bonded in a trigonal planar geometry to one C(62), one C(64), and one C(66) atom. The C(63)-C(64) bond length is 1.39 Å. The C(63)-C(66) bond length is 1.45 Å. In the sixty-first C site, C(64) is bonded in a distorted single-bond geometry to one C(63), one C(65), and one H(35) atom. The C(64)-C(65) bond length is 1.39 Å. The C(64)-H(35) bond length is 0.93 Å. In the sixty-second C site, C(65) is bonded in a distorted trigonal planar geometry to one C(60), one C(64), and one H(36) atom. The C(65)-H(36) bond length is 0.93 Å. In the sixty-third C site, C(66) is bonded in a distorted bent 120 degrees geometry to one C(63), one O(4), and one O(7) atom. The C(66)-O(4) bond length is 1.23 Å. The C(66)-O(7) bond length is 1.29 Å. There are eighteen inequivalent N sites. In the first N site, N(2) is bonded in a single-bond geometry to one C(9) atom. In the second N site, N(3) is bonded in a distorted single-bond geometry to one N(1) atom. The N(3)-N(1) bond length is 1.35 Å. In the third N site, N(4) is bonded in a distorted water-like geometry to one C(16) and one N(5) atom. The N(4)-N(5) bond length is 1.35 Å. In the fourth N site, N(5) is bonded in a water-like geometry to one N(4) and one N(6) atom. The N(5)-N(6) bond length is 1.35 Å. In the fifth N site, N(6) is bonded in a distorted bent 120 degrees geometry to one C(17), one C(18), and one N(5) atom. In the sixth N site, N(7) is bonded in a distorted trigonal planar geometry to one C(26), one C(27), and one N(8) atom. The N(7)-N(8) bond length is 1.37 Å. In the seventh N site, N(8) is bonded in a single-bond geometry to one N(7) atom. In the eighth N site, N(9) is bonded in a single-bond geometry to one C(25) atom. In the ninth N site, N(10) is bonded in a distorted trigonal planar geometry to one C(38), one C(41), and one N(12) atom. The N(10)-N(12) bond length is 1.31 Å. In the tenth N site, N(11) is bonded in a distorted water-like geometry to one C(42) and one N(12) atom. The N(11)-N(12) bond length is 1.31 Å. In the eleventh N site, N(12) is bonded in a water-like geometry to one N(10) and one N(11) atom. In the twelfth N site, N(13) is bonded in a single-bond geometry to one C(50) and one N(14) atom. The N(13)-N(14) bond length is 1.36 Å. In the thirteenth N site, N(14) is bonded in a distorted water-like geometry to one N(13) and one N(15) atom. The N(14)-N(15) bond length is 1.36 Å. In the fourteenth N site, N(15) is bonded in a distorted trigonal planar geometry to one C(49), one C(51), and one N(14) atom. In the fifteenth N site, N(16) is bonded in a 2-coordinate geometry to one C(59), one C(60), and one N(17) atom. The N(16)-N(17) bond length is 1.28 Å. In the sixteenth N site, N(17) is bonded in a distorted single-bond geometry to one N(16) and one N(18) atom. The N(17)-N(18) bond length is 1.28 Å. In the seventeenth N site, N(18) is bonded in a single-bond geometry to one C(58) and one N(17) atom. In the eighteenth N site, N(1) is bonded in a 2-coordinate geometry to one C(5), one C(8), and one N(3) atom. There are thirty-three 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(6) atom. In the fourth H site, H(4) 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(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(11) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(15) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(17) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(20) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(22) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(23) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(26) atom. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one C(28) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(29) atom. In the sixteenth H site, H(17) is bonded in a single-bond geometry to one C(31) atom. In the seventeenth H site, H(18) is bonded in a single-bond geometry to one C(32) atom. In the eighteenth H site, H(19) is bonded in a single-bond geometry to one C(36) atom. In the nineteenth H site, H(20) is bonded in a single-bond geometry to one C(37) atom. In the twentieth H site, H(21) is bonded in a single-bond geometry to one C(39) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one C(40) atom. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one C(41) atom. In the twenty-third H site, H(24) is bonded in a single-bond geometry to one C(44) atom. In the twenty-fourth H site, H(25) is bonded in a single-bond geometry to one C(46) atom. In the twenty-fifth H site, H(26) is bonded in a single-bond geometry to one C(48) atom. In the twenty-sixth H site, H(27) is bonded in a single-bond geometry to one C(49) atom. In the twenty-seventh H site, H(28) is bonded in a single-bond geometry to one C(52) atom. In the twenty-eighth H site, H(29) is bonded in a single-bond geometry to one C(53) atom. In the twenty-ninth H site, H(30) is bonded in a single-bond geometry to one C(55) atom. In the thirtieth H site, H(32) is bonded in a single-bond geometry to one C(59) atom. In the thirty-first H site, H(34) is bonded in a single-bond geometry to one C(62) atom. In the thirty-second H site, H(35) is bonded in a single-bond geometry to one C(64) atom. In the thirty-third H site, H(36) is bonded in a single-bond geometry to one C(65) atom. There are thirteen inequivalent O sites. In the first O site, O(13) is bonded in a bent 120 degrees geometry to two equivalent Zn(1) atoms. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Zn(2) and one C(24) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Zn(2) and one C(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Zn(2) and one C(33) atom. In the fifth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one C(66) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one Zn(2) and one C(57) atom. In the seventh O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(1) atom. In the eighth O site, O(7) is bonded in a distorted single-bond geometry to one Zn(3) and one C(66) atom. In the ninth O site, O(8) is bonded in a bent 150 degrees geometry to one Zn(2) and one C(34) atom. In the tenth O site, O(9) is bonded in a single-bond geometry to one Zn(3) and one C(34) atom. In the eleventh O site, O(10) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(24) atom. In the twelfth O site, O(11) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(33) atom. In the thirteenth O site, O(12) is bonded in a distorted single-bond geometry to one Zn(3) and one C(57) atom. Linkers: 16 [O]C(=O)c1ccc(-n2cc(-c3cc(-c4cn(-c5ccc(C([O])=O)cc5)nn4)cc(-c4cn(-c5ccc(C([O])=O)cc5)nn4)c3)nn2)cc1. Metal clusters: 4 [C]1O[Zn]2O[C]O[Zn]34(O1)(O[C]O2)O[C]O[Zn](O[Zn]12O[C]O[Zn]56(O[C]O[Zn](O[C]O5)O[C]O6)(O[C]O1)O[C]O2)(O[C]O3)O[C]O4. The MOF has largest included sphere 18.20 A, density 0.46 g/cm3, surface area 4622.28 m2/g, accessible volume 1.90 cm3/g