Mn3C18H20(NO9)2 crystallizes in the triclinic P1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(13), one O(14), one O(2), one O(5), and one O(6) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 45-46°. The Mn(1)-O(1) bond length is 2.18 Å. The Mn(1)-O(13) bond length is 2.34 Å. The Mn(1)-O(14) bond length is 2.32 Å. The Mn(1)-O(2) bond length is 2.11 Å. The Mn(1)-O(5) bond length is 2.20 Å. The Mn(1)-O(6) bond length is 2.15 Å. In the second Mn site, Mn(2) is bonded to one N(1), one O(1), one O(12), one O(15), one O(17), and one O(9) atom to form corner-sharing MnNO5 octahedra. The corner-sharing octahedral tilt angles are 45°. The Mn(2)-N(1) bond length is 2.04 Å. The Mn(2)-O(1) bond length is 2.10 Å. The Mn(2)-O(12) bond length is 1.94 Å. The Mn(2)-O(15) bond length is 1.98 Å. The Mn(2)-O(17) bond length is 2.09 Å. The Mn(2)-O(9) bond length is 1.88 Å. In the third Mn site, Mn(3) is bonded to one N(2), one O(10), one O(11), one O(16), one O(18), and one O(2) atom to form corner-sharing MnNO5 octahedra. The corner-sharing octahedral tilt angles are 46°. The Mn(3)-N(2) bond length is 2.25 Å. The Mn(3)-O(10) bond length is 2.10 Å. The Mn(3)-O(11) bond length is 2.03 Å. The Mn(3)-O(16) bond length is 2.08 Å. The Mn(3)-O(18) bond length is 2.26 Å. The Mn(3)-O(2) bond length is 2.29 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(1), and one O(3) atom. The C(1)-C(3) bond length is 1.51 Å. The C(1)-O(1) bond length is 1.32 Å. The C(1)-O(3) bond length is 1.25 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(2), and one O(4) atom. The C(2)-C(4) bond length is 1.50 Å. The C(2)-O(2) bond length is 1.30 Å. The C(2)-O(4) bond length is 1.26 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(1), one C(15), and one C(5) atom. The C(3)-C(15) bond length is 1.41 Å. The C(3)-C(5) bond length is 1.41 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(16), one C(2), and one C(6) atom. The C(4)-C(16) bond length is 1.41 Å. The C(4)-C(6) bond length is 1.42 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(3), one C(7), and one C(9) atom. The C(5)-C(7) bond length is 1.47 Å. The C(5)-C(9) bond length is 1.41 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(10), one C(4), and one C(8) atom. The C(6)-C(10) bond length is 1.40 Å. The C(6)-C(8) bond length is 1.48 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(11), and one O(9) atom. The C(7)-O(11) bond length is 1.28 Å. The C(7)-O(9) bond length is 1.28 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(10), and one O(12) atom. The C(8)-O(10) bond length is 1.28 Å. The C(8)-O(12) bond length is 1.29 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(11), one C(5), and one H(17) atom. The C(9)-C(11) bond length is 1.38 Å. The C(9)-H(17) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(12), one C(6), and one H(18) atom. The C(10)-C(12) bond length is 1.39 Å. The C(10)-H(18) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(13), one C(9), and one N(1) atom. The C(11)-C(13) bond length is 1.39 Å. The C(11)-N(1) bond length is 1.43 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(10), one C(14), and one N(2) atom. The C(12)-C(14) bond length is 1.39 Å. The C(12)-N(2) bond length is 1.40 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(11), one C(15), and one H(19) atom. The C(13)-C(15) bond length is 1.40 Å. The C(13)-H(19) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(12), one C(16), and one H(20) atom. The C(14)-C(16) bond length is 1.39 Å. The C(14)-H(20) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(13), one C(17), and one C(3) atom. The C(15)-C(17) bond length is 1.49 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(14), one C(18), and one C(4) atom. The C(16)-C(18) bond length is 1.50 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(15), one O(5), and one O(7) atom. The C(17)-O(5) bond length is 1.30 Å. The C(17)-O(7) bond length is 1.27 Å. In the eighteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(6), and one O(8) atom. The C(18)-O(6) bond length is 1.30 Å. The C(18)-O(8) bond length is 1.26 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted tetrahedral geometry to one Mn(2), one C(11), one H(13), and one H(15) atom. The N(1)-H(13) bond length is 1.04 Å. The N(1)-H(15) bond length is 1.03 Å. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Mn(3), one C(12), one H(14), and one H(16) atom. The N(2)-H(14) bond length is 1.03 Å. The N(2)-H(16) bond length is 1.02 Å. There are twenty inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(13) atom. The H(1)-O(13) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(14) atom. The H(2)-O(14) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) atom. The H(3)-O(13) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(14) atom. The H(4)-O(14) bond length is 1.01 Å. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(15) and one O(6) atom. The H(5)-O(15) bond length is 1.00 Å. The H(5)-O(6) bond length is 1.68 Å. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(16) and one O(5) atom. The H(6)-O(16) bond length is 1.00 Å. The H(6)-O(5) bond length is 1.65 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(15) atom. The H(7)-O(15) bond length is 0.99 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(16) atom. The H(8)-O(16) bond length is 0.99 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(17) atom. The H(9)-O(17) bond length is 0.99 Å. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(18) atom. The H(10)-O(18) bond length is 0.98 Å. In the eleventh H site, H(11) is bonded in a distorted single-bond geometry to one O(17) and one O(3) atom. The H(11)-O(17) bond length is 1.01 Å. The H(11)-O(3) bond length is 1.65 Å. In the twelfth H site, H(12) is bonded in a distorted linear geometry to one O(18) and one O(4) atom. The H(12)-O(18) bond length is 1.01 Å. The H(12)-O(4) bond length is 1.60 Å. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one N(1) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one N(2) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one N(1) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one N(2) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(9) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(10) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(13) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(14) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one C(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one C(1) and one H(11) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one C(2) and one H(12) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one C(17), and one H(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(1), one C(18), and one H(5) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one C(17) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one C(18) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(2) and one C(7) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one C(8) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mn(3) and one C(7) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(8) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Mn(1), one H(1), and one H(3) atom. In the fourteenth O site, O(14) is bonded in a distorted water-like geometry to one Mn(1), one H(2), and one H(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mn(2), one H(5), and one H(7) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mn(3), one H(6), and one H(8) atom. In the seventeenth O site, O(17) is bonded in a distorted water-like geometry to one Mn(2), one H(11), and one H(9) atom. In the eighteenth O site, O(18) is bonded in a distorted water-like geometry to one Mn(3), one H(10), and one H(12) atom. Linkers: 2 Nc1cc(C([O])=O)c(C([O])=O)c(C([O])=O)c1. Metal clusters: 3 [Mn]. The MOF has largest included sphere 2.51 A, density 2.10 g/cm3, surface area 2889.46 m2/g, accessible volume 0.09 cm3/g