Mn3Zn6C124H90(N4O21)2(CH)4 crystallizes in the triclinic P-1 space group. The structure consists of four 02329_fluka molecules inside a Mn3Zn6C124H90(N4O21)2 framework. In the Mn3Zn6C124H90(N4O21)2 framework, there are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to one O(12), one O(17), one O(2), one O(20), one O(4), and one O(9) atom. The Mn(1)-O(12) bond length is 2.15 Å. The Mn(1)-O(17) bond length is 2.14 Å. The Mn(1)-O(2) bond length is 2.17 Å. The Mn(1)-O(20) bond length is 2.20 Å. The Mn(1)-O(4) bond length is 2.14 Å. The Mn(1)-O(9) bond length is 2.16 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(13), two equivalent O(14), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Zn(2)NO4 trigonal bipyramids. Both Mn(2)-O(13) bond lengths are 2.09 Å. Both Mn(2)-O(14) bond lengths are 2.22 Å. Both Mn(2)-O(8) bond lengths are 2.22 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(2), one O(11), one O(6), and one O(7) atom. The Zn(1)-N(2) bond length is 2.03 Å. The Zn(1)-O(11) bond length is 1.92 Å. The Zn(1)-O(6) bond length is 1.95 Å. The Zn(1)-O(7) bond length is 1.97 Å. In the second Zn site, Zn(2) is bonded to one N(1), one O(13), one O(15), one O(21), and one O(5) atom to form distorted ZnNO4 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 73°. The Zn(2)-N(1) bond length is 2.05 Å. The Zn(2)-O(13) bond length is 2.40 Å. The Zn(2)-O(15) bond length is 1.93 Å. The Zn(2)-O(21) bond length is 2.09 Å. The Zn(2)-O(5) bond length is 1.94 Å. In the third Zn site, Zn(3) is bonded to one O(10), one O(16), one O(3), and two equivalent O(1) atoms to form edge-sharing ZnO5 trigonal bipyramids. The Zn(3)-O(10) bond length is 2.15 Å. The Zn(3)-O(16) bond length is 1.98 Å. The Zn(3)-O(3) bond length is 2.08 Å. There is one shorter (2.10 Å) and one longer (2.12 Å) Zn(3)-O(1) bond length. There are sixty-two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(11), one C(5), and one C(6) atom. The C(1)-C(11) bond length is 1.40 Å. The C(1)-C(5) bond length is 1.49 Å. The C(1)-C(6) bond length is 1.40 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(2), and one O(3) atom. The C(2)-C(13) bond length is 1.51 Å. The C(2)-O(2) bond length is 1.27 Å. The C(2)-O(3) bond length is 1.29 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(10), one C(28), and one H(3) atom. The C(3)-C(10) bond length is 1.39 Å. The C(3)-C(28) bond length is 1.40 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(13), one C(9), and one H(4) atom. The C(4)-C(13) bond length is 1.40 Å. The C(4)-C(9) bond length is 1.40 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(4) atom. The C(5)-O(1) bond length is 1.30 Å. The C(5)-O(4) bond length is 1.25 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(12), and one H(5) atom. The C(6)-C(12) bond length is 1.40 Å. The C(6)-H(5) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(11), and one O(20) atom. The C(7)-C(12) bond length is 1.49 Å. The C(7)-O(11) bond length is 1.29 Å. The C(7)-O(20) bond length is 1.26 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(5), and one O(8) atom. The C(8)-C(9) bond length is 1.50 Å. The C(8)-O(5) bond length is 1.29 Å. The C(8)-O(8) bond length is 1.26 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(19), one C(4), and one C(8) atom. The C(9)-C(19) bond length is 1.40 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(15), one C(3), and one C(34) atom. The C(10)-C(15) bond length is 1.50 Å. The C(10)-C(34) bond length is 1.40 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(1) and one H(6) atom. The C(11)-H(6) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(23), one C(6), and one C(7) atom. The C(12)-C(23) bond length is 1.40 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(2), one C(24), and one C(4) atom. The C(13)-C(24) bond length is 1.40 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(18), one C(21), and one C(26) atom. The C(14)-C(18) bond length is 1.50 Å. The C(14)-C(21) bond length is 1.40 Å. The C(14)-C(26) bond length is 1.40 Å. In the fifteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(7), and one O(9) atom. The C(15)-O(7) bond length is 1.28 Å. The C(15)-O(9) bond length is 1.27 Å. In the sixteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(50), one O(12), and one O(6) atom. The C(16)-C(50) bond length is 1.49 Å. The C(16)-O(12) bond length is 1.26 Å. The C(16)-O(6) bond length is 1.29 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(30), one O(14), and one O(15) atom. The C(17)-C(30) bond length is 1.50 Å. The C(17)-O(14) bond length is 1.26 Å. The C(17)-O(15) bond length is 1.29 Å. In the eighteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(14), one O(16), and one O(17) atom. The C(18)-O(16) bond length is 1.29 Å. The C(18)-O(17) bond length is 1.26 Å. In the nineteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(40), one C(9), and one H(8) atom. The C(19)-C(40) bond length is 1.40 Å. The C(19)-H(8) bond length is 1.09 Å. In the twentieth C site, C(21) is bonded in a distorted single-bond geometry to one C(14), one C(32), and one H(10) atom. The C(21)-C(32) bond length is 1.40 Å. The C(21)-H(10) bond length is 1.09 Å. In the twenty-first C site, C(22) is bonded in a distorted trigonal planar geometry to one C(39), one N(1), and one H(11) atom. The C(22)-C(39) bond length is 1.39 Å. The C(22)-N(1) bond length is 1.35 Å. The C(22)-H(11) bond length is 1.09 Å. In the twenty-second C site, C(23) is bonded in a distorted single-bond geometry to one C(12) and one H(12) atom. The C(23)-H(12) bond length is 1.09 Å. In the twenty-third C site, C(24) is bonded in a distorted single-bond geometry to one C(13) and one H(13) atom. The C(24)-H(13) bond length is 1.09 Å. In the twenty-fourth C site, C(25) is bonded in a trigonal planar geometry to one C(35), one C(38), and one C(43) atom. The C(25)-C(35) bond length is 1.50 Å. The C(25)-C(38) bond length is 1.40 Å. The C(25)-C(43) bond length is 1.40 Å. In the twenty-fifth C site, C(26) is bonded in a distorted single-bond geometry to one C(14), one C(33), and one H(14) atom. The C(26)-C(33) bond length is 1.40 Å. The C(26)-H(14) bond length is 1.09 Å. In the twenty-sixth C site, C(27) is bonded in a distorted bent 120 degrees geometry to one C(32), one O(18), and one O(19) atom. The C(27)-C(32) bond length is 1.50 Å. The C(27)-O(18) bond length is 1.33 Å. The C(27)-O(19) bond length is 1.24 Å. In the twenty-seventh C site, C(28) is bonded in a trigonal planar geometry to one C(3), one C(31), and one C(52) atom. The C(28)-C(31) bond length is 1.40 Å. The C(28)-C(52) bond length is 1.48 Å. In the twenty-eighth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(38), one N(2), and one H(15) atom. The C(29)-C(38) bond length is 1.38 Å. The C(29)-N(2) bond length is 1.35 Å. The C(29)-H(15) bond length is 1.09 Å. In the twenty-ninth C site, C(30) is bonded in a trigonal planar geometry to one C(17), one C(47), and one C(48) atom. The C(30)-C(47) bond length is 1.39 Å. The C(30)-C(48) bond length is 1.41 Å. In the thirtieth C site, C(31) is bonded in a distorted trigonal planar geometry to one C(28), one C(44), and one H(16) atom. The C(31)-C(44) bond length is 1.39 Å. The C(31)-H(16) bond length is 1.09 Å. In the thirty-first C site, C(32) is bonded in a trigonal planar geometry to one C(21), one C(27), and one C(46) atom. The C(32)-C(46) bond length is 1.40 Å. In the thirty-second C site, C(33) is bonded in a distorted trigonal planar geometry to one C(26), one C(46), and one H(17) atom. The C(33)-C(46) bond length is 1.40 Å. The C(33)-H(17) bond length is 1.09 Å. In the thirty-third C site, C(34) is bonded in a distorted single-bond geometry to one C(10) and one H(18) atom. The C(34)-H(18) bond length is 1.09 Å. In the thirty-fourth C site, C(35) is bonded in a distorted water-like geometry to one C(25), one H(19), and one H(20) atom. The C(35)-H(19) bond length is 1.10 Å. The C(35)-H(20) bond length is 1.10 Å. In the thirty-fifth C site, C(36) is bonded in a trigonal planar geometry to one C(37), one C(39), and one C(41) atom. The C(36)-C(37) bond length is 1.50 Å. The C(36)-C(39) bond length is 1.40 Å. The C(36)-C(41) bond length is 1.40 Å. In the thirty-sixth C site, C(37) is bonded in a distorted water-like geometry to one C(36), one H(21), and one H(22) atom. The C(37)-H(21) bond length is 1.10 Å. The C(37)-H(22) bond length is 1.10 Å. In the thirty-seventh C site, C(38) is bonded in a distorted single-bond geometry to one C(25), one C(29), and one H(23) atom. The C(38)-H(23) bond length is 1.09 Å. In the thirty-eighth C site, C(39) is bonded in a distorted single-bond geometry to one C(22), one C(36), and one H(24) atom. The C(39)-H(24) bond length is 1.09 Å. In the thirty-ninth C site, C(40) is bonded in a distorted single-bond geometry to one C(19) and one H(25) atom. The C(40)-H(25) bond length is 1.09 Å. In the fortieth C site, C(41) is bonded in a distorted single-bond geometry to one C(36) and one H(26) atom. The C(41)-H(26) bond length is 1.09 Å. In the forty-first C site, C(42) is bonded in a distorted trigonal planar geometry to one C(43), one N(2), and one H(27) atom. The C(42)-C(43) bond length is 1.39 Å. The C(42)-N(2) bond length is 1.35 Å. The C(42)-H(27) bond length is 1.09 Å. In the forty-second C site, C(43) is bonded in a distorted single-bond geometry to one C(25), one C(42), and one H(28) atom. The C(43)-H(28) bond length is 1.09 Å. In the forty-third C site, C(44) is bonded in a distorted single-bond geometry to one C(31) and one H(29) atom. The C(44)-H(29) bond length is 1.09 Å. In the forty-fourth C site, C(45) is bonded in a distorted trigonal planar geometry to one N(1) and one H(30) atom. The C(45)-N(1) bond length is 1.35 Å. The C(45)-H(30) bond length is 1.09 Å. In the forty-fifth C site, C(46) is bonded in a distorted single-bond geometry to one C(32), one C(33), and one H(31) atom. The C(46)-H(31) bond length is 1.09 Å. In the forty-sixth C site, C(47) is bonded in a distorted single-bond geometry to one C(30), one C(50), and one H(32) atom. The C(47)-C(50) bond length is 1.40 Å. The C(47)-H(32) bond length is 1.09 Å. In the forty-seventh C site, C(48) is bonded in a distorted single-bond geometry to one C(30) and one H(33) atom. The C(48)-H(33) bond length is 1.09 Å. In the forty-eighth C site, C(50) is bonded in a trigonal planar geometry to one C(16), one C(47), and one C(51) atom. The C(50)-C(51) bond length is 1.40 Å. In the forty-ninth C site, C(51) is bonded in a distorted single-bond geometry to one C(50) and one H(35) atom. The C(51)-H(35) bond length is 1.09 Å. In the fiftieth C site, C(52) is bonded in a distorted bent 120 degrees geometry to one C(28), one O(13), and one O(21) atom. The C(52)-O(13) bond length is 1.27 Å. The C(52)-O(21) bond length is 1.28 Å. In the fifty-first C site, C(53) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(36) atom. The C(53)-N(3) bond length is 1.34 Å. The C(53)-H(36) bond length is 1.09 Å. In the fifty-second C site, C(54) is bonded in a distorted single-bond geometry to one C(55) and one H(37) atom. The C(54)-C(55) bond length is 1.40 Å. The C(54)-H(37) bond length is 1.09 Å. In the fifty-third C site, C(55) is bonded in a trigonal planar geometry to one C(54), one C(60), and one C(61) atom. The C(55)-C(60) bond length is 1.40 Å. The C(55)-C(61) bond length is 1.50 Å. In the fifty-fourth C site, C(56) is bonded in a distorted trigonal planar geometry to one C(60), one N(3), and one H(38) atom. The C(56)-C(60) bond length is 1.39 Å. The C(56)-N(3) bond length is 1.34 Å. The C(56)-H(38) bond length is 1.09 Å. In the fifty-fifth C site, C(57) is bonded in a trigonal planar geometry to one C(58), one C(59), and one C(64) atom. The C(57)-C(58) bond length is 1.40 Å. The C(57)-C(59) bond length is 1.40 Å. The C(57)-C(64) bond length is 1.51 Å. In the fifty-sixth C site, C(58) is bonded in a distorted single-bond geometry to one C(57), one C(63), and one H(39) atom. The C(58)-C(63) bond length is 1.39 Å. The C(58)-H(39) bond length is 1.09 Å. In the fifty-seventh C site, C(59) is bonded in a distorted single-bond geometry to one C(57) and one H(40) atom. The C(59)-H(40) bond length is 1.09 Å. In the fifty-eighth C site, C(60) is bonded in a distorted single-bond geometry to one C(55), one C(56), and one H(41) atom. The C(60)-H(41) bond length is 1.09 Å. In the fifty-ninth C site, C(61) is bonded in a distorted water-like geometry to one C(55) and two equivalent H(42,43) atoms. Both C(61)-H(42,43) bond lengths are 1.10 Å. In the sixtieth C site, C(62) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(44) atom. The C(62)-N(4) bond length is 1.34 Å. The C(62)-H(44) bond length is 1.09 Å. In the sixty-first C site, C(63) is bonded in a distorted trigonal planar geometry to one C(58), one N(4), and one H(45) atom. The C(63)-N(4) bond length is 1.34 Å. The C(63)-H(45) bond length is 1.09 Å. In the sixty-second C site, C(64) is bonded in a water-like geometry to one C(57), one H(46), and one H(47) atom. The C(64)-H(46) bond length is 1.10 Å. The C(64)-H(47) bond length is 1.10 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(2), one C(22), and one C(45) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one C(29), and one C(42) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(53), one C(56), and one H(7) atom. The N(3)-H(7) bond length is 1.49 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(62), one C(63), and one H(1) atom. The N(4)-H(1) bond length is 1.65 Å. There are forty-four inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one N(4) and one O(10) atom. The H(1)-O(10) bond length is 1.03 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. The H(2)-O(10) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) 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 linear geometry to one N(3) and one O(18) atom. The H(7)-O(18) bond length is 1.08 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(19) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(21) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(22) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(23) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(24) 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(29) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(31) atom. In the sixteenth H site, H(17) is bonded in a single-bond geometry to one C(33) atom. In the seventeenth H site, H(18) is bonded in a single-bond geometry to one C(34) atom. In the eighteenth H site, H(19) is bonded in a single-bond geometry to one C(35) atom. In the nineteenth H site, H(20) is bonded in a single-bond geometry to one C(35) atom. In the twentieth H site, H(21) is bonded in a single-bond geometry to one C(37) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one C(37) atom. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one C(38) atom. In the twenty-third H site, H(24) is bonded in a single-bond geometry to one C(39) atom. In the twenty-fourth H site, H(25) is bonded in a single-bond geometry to one C(40) atom. In the twenty-fifth H site, H(26) is bonded in a single-bond geometry to one C(41) atom. In the twenty-sixth H site, H(27) is bonded in a single-bond geometry to one C(42) atom. In the twenty-seventh H site, H(28) is bonded in a single-bond geometry to one C(43) atom. In the twenty-eighth H site, H(29) is bonded in a single-bond geometry to one C(44) atom. In the twenty-ninth H site, H(30) is bonded in a single-bond geometry to one C(45) atom. In the thirtieth H site, H(31) is bonded in a single-bond geometry to one C(46) atom. In the thirty-first H site, H(32) is bonded in a single-bond geometry to one C(47) atom. In the thirty-second H site, H(33) is bonded in a single-bond geometry to one C(48) atom. In the thirty-third H site, H(35) is bonded in a single-bond geometry to one C(51) atom. In the thirty-fourth H site, H(36) is bonded in a single-bond geometry to one C(53) atom. In the thirty-fifth H site, H(37) is bonded in a single-bond geometry to one C(54) atom. In the thirty-sixth H site, H(38) is bonded in a single-bond geometry to one C(56) atom. In the thirty-seventh H site, H(39) is bonded in a single-bond geometry to one C(58) atom. In the thirty-eighth H site, H(40) is bonded in a single-bond geometry to one C(59) atom. In the thirty-ninth H site, H(41) is bonded in a single-bond geometry to one C(60) atom. In the fortieth H site, H(42,43) is bonded in a single-bond geometry to one C(61) atom. In the forty-first H site, H(44) is bonded in a single-bond geometry to one C(62) atom. In the forty-second H site, H(45) is bonded in a single-bond geometry to one C(63) atom. In the forty-third H site, H(46) is bonded in a single-bond geometry to one C(64) atom. In the forty-fourth H site, H(47) is bonded in a single-bond geometry to one C(64) atom. There are twenty-one inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zn(3) and one C(5) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mn(1) and one C(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(8) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(16) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one C(15) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one C(8) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one C(15) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Zn(3), one H(1), and one H(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(7) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one C(16) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(2), one Zn(2), and one C(52) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one C(17) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(17) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(18) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one C(18) atom. In the eighteenth O site, O(18) is bonded in a water-like geometry to one C(27) and one H(7) atom. In the nineteenth O site, O(19) is bonded in a single-bond geometry to one C(27) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one C(7) atom. In the twenty-first O site, O(21) is bonded in a water-like geometry to one Zn(2) and one C(52) atom. Linkers: 2 c1cc(CCc2ccncc2)ccn1 ,8 [O]C(=O)c1cccc(C([O])=O)c1. Metal clusters: 2 [Mn] ,4 [Zn] ,1 [C]1O[Zn]2O[C]O[Mn]34(O1)(O[C]O2)O[C]O[Zn](O[C]O3)O[C]O4. The MOF has largest included sphere 2.67 A, density 1.62 g/cm3, surface area 4431.25 m2/g, accessible volume 0.19 cm3/g