Mn2C45H21(N2O)6(CH)18 crystallizes in the monoclinic C2/c space group. The structure consists of seventy-two 02329_fluka molecules inside a Mn2C45H21(N2O)6 framework. In the Mn2C45H21(N2O)6 framework, Mn(1) is bonded in an octahedral geometry to one N(1), one N(2), one N(3), one O(1), one O(2), and one O(3) atom. The Mn(1)-N(1) bond length is 2.27 Å. The Mn(1)-N(2) bond length is 2.29 Å. The Mn(1)-N(3) bond length is 2.31 Å. The Mn(1)-O(1) bond length is 2.14 Å. The Mn(1)-O(2) bond length is 2.13 Å. The Mn(1)-O(3) bond length is 2.13 Å. There are twenty-four inequivalent C sites. In the first C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(32) and two equivalent O(1) atoms. The C(31)-C(32) bond length is 1.49 Å. Both C(31)-O(1) bond lengths are 1.26 Å. In the second C site, C(32) is bonded in a trigonal planar geometry to one C(31) and two equivalent C(3) atoms. Both C(32)-C(3) bond lengths are 1.38 Å. In the third C site, C(33) is bonded in a distorted single-bond geometry to two equivalent C(6) and one H(20) atom. Both C(33)-C(6) bond lengths are 1.38 Å. The C(33)-H(20) bond length is 0.93 Å. In the fourth C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(2), and one O(3) atom. The C(1)-C(2) bond length is 1.49 Å. The C(1)-O(2) bond length is 1.26 Å. The C(1)-O(3) bond length is 1.25 Å. In the fifth C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(4), and one C(5) atom. The C(2)-C(4) bond length is 1.39 Å. The C(2)-C(5) bond length is 1.40 Å. In the sixth C site, C(3) is bonded in a single-bond geometry to one C(32), one C(6), and one H(1) atom. The C(3)-C(6) bond length is 1.39 Å. The C(3)-H(1) bond length is 0.93 Å. In the seventh C site, C(4) is bonded in a single-bond geometry to one C(2), one C(7), and one H(2) atom. The C(4)-C(7) bond length is 1.37 Å. The C(4)-H(2) bond length is 0.93 Å. In the eighth C site, C(5) is bonded in a single-bond geometry to one C(2) and one H(3) atom. The C(5)-H(3) bond length is 0.93 Å. In the ninth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(3), one C(33), and one N(4) atom. The C(6)-N(4) bond length is 1.45 Å. In the tenth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(4), one C(9), and one N(5) atom. The C(7)-C(9) bond length is 1.40 Å. The C(7)-N(5) bond length is 1.44 Å. In the eleventh C site, C(8) is bonded in a distorted single-bond geometry to one N(6) atom. The C(8)-N(6) bond length is 1.43 Å. In the twelfth C site, C(9) is bonded in a distorted single-bond geometry to one C(7) and one H(4) atom. The C(9)-H(4) bond length is 0.93 Å. In the thirteenth C site, C(10) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(5) atom. The C(10)-N(3) bond length is 1.30 Å. The C(10)-N(4) bond length is 1.37 Å. The C(10)-H(5) bond length is 0.93 Å. In the fourteenth C site, C(11) is bonded in a 3-coordinate geometry to one C(16), one C(17), and one N(4) atom. The C(11)-C(16) bond length is 1.41 Å. The C(11)-C(17) bond length is 1.40 Å. The C(11)-N(4) bond length is 1.39 Å. In the fifteenth C site, C(12) is bonded in a 3-coordinate geometry to one C(18), one C(19), and one N(5) atom. The C(12)-C(18) bond length is 1.40 Å. The C(12)-C(19) bond length is 1.39 Å. The C(12)-N(5) bond length is 1.38 Å. In the sixteenth C site, C(13) is bonded in a trigonal planar geometry to one N(2), one N(5), and one H(6) atom. The C(13)-N(2) bond length is 1.30 Å. The C(13)-N(5) bond length is 1.36 Å. The C(13)-H(6) bond length is 0.93 Å. In the seventeenth C site, C(14) is bonded in a trigonal planar geometry to one N(1), one N(6), and one H(7) atom. The C(14)-N(1) bond length is 1.31 Å. The C(14)-N(6) bond length is 1.36 Å. The C(14)-H(7) bond length is 0.93 Å. In the eighteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(20), one C(21), and one N(6) atom. The C(15)-C(20) bond length is 1.40 Å. The C(15)-C(21) bond length is 1.37 Å. The C(15)-N(6) bond length is 1.37 Å. In the nineteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(11) and one N(3) atom. The C(16)-N(3) bond length is 1.39 Å. In the twentieth C site, C(17) is bonded in a distorted single-bond geometry to one C(11) and one H(8,9) atom. The C(17)-H(8,9) bond length is 0.93 Å. In the twenty-first C site, C(18) is bonded in a distorted single-bond geometry to one C(12) and one N(2) atom. The C(18)-N(2) bond length is 1.40 Å. In the twenty-second C site, C(19) is bonded in a distorted single-bond geometry to one C(12) and one H(8,9) atom. The C(19)-H(8,9) bond length is 0.93 Å. In the twenty-third C site, C(20) is bonded in a distorted single-bond geometry to one C(15) and one N(1) atom. The C(20)-N(1) bond length is 1.39 Å. In the twenty-fourth C site, C(21) is bonded in a distorted single-bond geometry to one C(15) and one H(10) atom. The C(21)-H(10) bond length is 0.93 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one C(14), and one C(20) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one C(13), and one C(18) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one C(10), and one C(16) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(6) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(12), one C(13), and one C(7) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(14), one C(15), and one C(8) atom. There are ten 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(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(14) atom. In the eighth H site, H(8,9) is bonded in a single-bond geometry to one C(17) 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(20) is bonded in a single-bond geometry to one C(33) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one C(31) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one C(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(1) atom. Linkers: 13 [O]C(=O)c1cc(-n2cnc3ccccc32)cc(-n2cnc3ccccc32)c1. Metal clusters: 4 [C]1O[Mn]2O[C]O[Mn](O1)O[C]O2. The MOF has largest included sphere 6.68 A, density 1.08 g/cm3, surface area 4399.09 m2/g, accessible volume 0.46 cm3/g