Mn2C20H17(NO5)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(8), and one O(9) atom. The Mn(1)-O(1) bond length is 2.07 Å. The Mn(1)-O(10) bond length is 2.34 Å. The Mn(1)-O(11) bond length is 2.20 Å. The Mn(1)-O(13) bond length is 2.13 Å. The Mn(1)-O(8) bond length is 2.13 Å. The Mn(1)-O(9) bond length is 2.30 Å. In the second Mn site, Mn(2) is bonded in an octahedral geometry to one O(11), one O(14), one O(15), one O(2), one O(7), and one O(9) atom. The Mn(2)-O(11) bond length is 2.22 Å. The Mn(2)-O(14) bond length is 2.10 Å. The Mn(2)-O(15) bond length is 2.18 Å. The Mn(2)-O(2) bond length is 2.23 Å. The Mn(2)-O(7) bond length is 2.10 Å. The Mn(2)-O(9) bond length is 2.16 Å. There are twenty 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(1), and one O(2) atom. The C(1)-C(2) bond length is 1.49 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.28 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 1.40 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(1) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one N(1) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-N(1) bond length is 1.47 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(5)-C(6) bond length is 1.41 Å. The C(5)-C(8) bond length is 1.49 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(16), one C(5), and one C(7) atom. The C(6)-C(16) bond length is 1.50 Å. The C(6)-C(7) bond length is 1.40 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(2) atom. The C(7)-H(2) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(13), one C(5), and one C(9) atom. The C(8)-C(13) bond length is 1.40 Å. The C(8)-C(9) bond length is 1.40 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 1.39 Å. The C(9)-N(2) bond length is 1.47 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(11), one C(9), and one H(3) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-H(3) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(15) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-C(15) bond length is 1.49 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(13), and one H(4) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-H(4) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(8) atom. The C(13)-C(14) bond length is 1.50 Å. In the fourteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(10), and one O(9) atom. The C(14)-O(10) bond length is 1.26 Å. The C(14)-O(9) bond length is 1.28 Å. In the fifteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(7), and one O(8) atom. The C(15)-O(7) bond length is 1.27 Å. The C(15)-O(8) bond length is 1.29 Å. In the sixteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(11), and one O(12) atom. The C(16)-O(11) bond length is 1.30 Å. The C(16)-O(12) bond length is 1.25 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(18), one N(3), and one O(14) atom. The C(17)-C(18) bond length is 1.51 Å. The C(17)-N(3) bond length is 1.34 Å. The C(17)-O(14) bond length is 1.27 Å. In the eighteenth C site, C(18) is bonded in a trigonal non-coplanar geometry to one C(17), one H(5), one H(6), and one H(7) atom. The C(18)-H(5) bond length is 1.09 Å. The C(18)-H(6) bond length is 1.10 Å. The C(18)-H(7) bond length is 1.10 Å. In the nineteenth C site, C(19) is bonded to one N(3), one H(10), one H(8), and one H(9) atom to form corner-sharing CH3N tetrahedra. The C(19)-N(3) bond length is 1.46 Å. The C(19)-H(10) bond length is 1.09 Å. The C(19)-H(8) bond length is 1.10 Å. The C(19)-H(9) bond length is 1.10 Å. In the twentieth C site, C(20) is bonded to one N(3), one H(11), one H(12), and one H(13) atom to form corner-sharing CH3N tetrahedra. The C(20)-N(3) bond length is 1.46 Å. The C(20)-H(11) bond length is 1.10 Å. The C(20)-H(12) bond length is 1.10 Å. The C(20)-H(13) bond length is 1.09 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(4), one O(5), and one O(6) atom. The N(1)-O(5) bond length is 1.25 Å. The N(1)-O(6) bond length is 1.24 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(9), one O(3), and one O(4) atom. The N(2)-O(3) bond length is 1.24 Å. The N(2)-O(4) bond length is 1.24 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(17), one C(19), and one C(20) atom. There are seventeen 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(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(10) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(18) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(18) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(18) atom. 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(9) is bonded in a single-bond geometry to one C(19) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(19) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(20) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(20) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(20) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(13) atom. The H(14)-O(13) bond length is 0.97 Å. In the fifteenth H site, H(15) is bonded in a distorted single-bond geometry to one O(13) and one O(2) atom. The H(15)-O(13) bond length is 1.01 Å. The H(15)-O(2) bond length is 1.63 Å. In the sixteenth H site, H(16) is bonded in a distorted single-bond geometry to one O(12) and one O(15) atom. The H(16)-O(12) bond length is 1.68 Å. The H(16)-O(15) bond length is 1.01 Å. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(15) atom. The H(17)-O(15) bond length is 0.99 Å. There are fifteen inequivalent O sites. In the first O site, O(13) is bonded in a 3-coordinate geometry to one Mn(1), one H(14), and one H(15) atom. In the second O site, O(14) is bonded in a bent 150 degrees geometry to one Mn(2) and one C(17) atom. In the third O site, O(15) is bonded in a distorted water-like geometry to one Mn(2), one H(16), and one H(17) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one C(1) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one C(1), and one H(15) atom. In the sixth O site, O(3) is bonded in a single-bond geometry to one N(2) atom. In the seventh O site, O(4) is bonded in a single-bond geometry to one N(2) atom. In the eighth O site, O(5) is bonded in a single-bond geometry to one N(1) atom. In the ninth O site, O(6) is bonded in a single-bond geometry to one N(1) atom. In the tenth O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(15) atom. In the eleventh O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one C(15) atom. In the twelfth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one C(14) atom. In the thirteenth O site, O(10) is bonded in a distorted L-shaped geometry to one Mn(1) and one C(14) atom. In the fourteenth O site, O(11) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one C(16) atom. In the fifteenth O site, O(12) is bonded in a distorted water-like geometry to one C(16) and one H(16) atom. Linkers: 4 [O]C(=O)c1cc(C([O])=O)c(-c2c(C([O])=O)cc(C([O])=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1. Metal clusters: 8 [Mn]. The MOF has largest included sphere 4.27 A, density 1.64 g/cm3, surface area 3692.35 m2/g, accessible volume 0.12 cm3/g