MnC16N3H11O4(CH)2(CH3)2HC2N crystallizes in the monoclinic C2/c space group. The structure consists of sixteen 02329_fluka molecules, sixteen 02329_fluka molecules, and eight acetonitrile molecules inside a MnC16N3H11O4 framework. In the MnC16N3H11O4 framework, Mn(1) is bonded in a distorted octahedral geometry to one N(2), one N(3), one O(1), one O(2), one O(3), and one O(4) atom. The Mn(1)-N(2) bond length is 2.23 Å. The Mn(1)-N(3) bond length is 2.23 Å. The Mn(1)-O(1) bond length is 2.26 Å. The Mn(1)-O(2) bond length is 2.40 Å. The Mn(1)-O(3) bond length is 2.11 Å. The Mn(1)-O(4) bond length is 2.06 Å. There are sixteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(5), one C(7), and one H(1) atom. The C(1)-C(5) bond length is 1.41 Å. The C(1)-C(7) bond length is 1.40 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(3), one C(4), and one C(6) atom. The C(2)-C(3) bond length is 1.49 Å. The C(2)-C(4) bond length is 1.40 Å. The C(2)-C(6) bond length is 1.39 Å. In the third C site, C(3) is bonded in a bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(3)-O(1) bond length is 1.28 Å. The C(3)-O(2) bond length is 1.28 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(2), one C(7), and one H(3) atom. The C(4)-C(7) bond length is 1.40 Å. The C(4)-H(3) bond length is 1.08 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(1), one C(6), and one N(1) atom. The C(5)-C(6) bond length is 1.41 Å. The C(5)-N(1) bond length is 1.37 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(2), one C(5), and one H(4) atom. The C(6)-H(4) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(1), one C(4), and one C(8) atom. The C(7)-C(8) bond length is 1.50 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(3), and one O(4) atom. The C(8)-O(3) bond length is 1.28 Å. The C(8)-O(4) bond length is 1.27 Å. In the ninth C site, C(9) is bonded in a distorted trigonal non-coplanar geometry to one C(10), one N(1), one H(5), and one H(6) atom. The C(9)-C(10) bond length is 1.51 Å. The C(9)-N(1) bond length is 1.44 Å. The C(9)-H(5) bond length is 1.10 Å. The C(9)-H(6) bond length is 1.10 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(12), and one C(9) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-C(12) bond length is 1.40 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(10) and one H(7) atom. The C(11)-H(7) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(10), one C(14), and one H(8) atom. The C(12)-C(14) bond length is 1.39 Å. The C(12)-H(8) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one N(2) and one H(9) atom. The C(13)-N(2) bond length is 1.35 Å. The C(13)-H(9) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(12), one N(2), and one H(10) atom. The C(14)-N(2) bond length is 1.35 Å. The C(14)-H(10) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(16) and one H(11) atom. The C(15)-C(16) bond length is 1.41 Å. The C(15)-H(11) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted linear geometry to one C(15) and one N(3) atom. The C(16)-N(3) bond length is 1.17 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(5), one C(9), and one H(2) atom. The N(1)-H(2) bond length is 1.02 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one Mn(1), one C(13), and one C(14) atom. In the third N site, N(3) is bonded in a linear geometry to one Mn(1) and one C(16) atom. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(13) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(15) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one C(8) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one C(8) atom. In the third O site, O(1) is bonded in a distorted L-shaped geometry to one Mn(1) and one C(3) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Mn(1) and one C(3) atom. Linkers: 4 [O]C(=O)c1cc(NCc2ccncc2)cc(C([O])=O)c1. Metal clusters: 4 [Mn]. RCSR code: fes. The MOF has largest included sphere 2.78 A, density 1.46 g/cm3, surface area 4840.97 m2/g, accessible volume 0.13 cm3/g