Mn3C21NH11S3O13CH2 crystallizes in the monoclinic P2_1/c space group. The structure consists of four 02329_fluka molecules inside a Mn3C21NH11S3O13 framework. In the Mn3C21NH11S3O13 framework, there are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a rectangular see-saw-like geometry to one O(11), one O(13), one O(5), and one O(6) atom. The Mn(1)-O(11) bond length is 2.12 Å. The Mn(1)-O(13) bond length is 2.26 Å. The Mn(1)-O(5) bond length is 2.12 Å. The Mn(1)-O(6) bond length is 2.12 Å. In the second Mn site, Mn(2) is bonded in a trigonal bipyramidal geometry to one O(1), one O(10), one O(13), one O(3), and one O(4) atom. The Mn(2)-O(1) bond length is 2.15 Å. The Mn(2)-O(10) bond length is 2.15 Å. The Mn(2)-O(13) bond length is 2.30 Å. The Mn(2)-O(3) bond length is 2.10 Å. The Mn(2)-O(4) bond length is 2.08 Å. In the third Mn site, Mn(3) is bonded in a distorted trigonal bipyramidal geometry to one O(12), one O(2), one O(7), one O(8), and one O(9) atom. The Mn(3)-O(12) bond length is 2.10 Å. The Mn(3)-O(2) bond length is 2.08 Å. The Mn(3)-O(7) bond length is 2.09 Å. The Mn(3)-O(8) bond length is 2.13 Å. The Mn(3)-O(9) bond length is 2.14 Å. There are twenty-one inequivalent C sites. In the first C site, C(1) is bonded in a water-like geometry to one C(4) and two equivalent H(1,2) atoms. The C(1)-C(4) bond length is 1.43 Å. Both C(1)-H(1,2) bond lengths are 0.97 Å. In the second C site, C(2) is bonded in a 3-coordinate geometry to one N(1) and two equivalent H(3,4) atoms. The C(2)-N(1) bond length is 1.48 Å. Both C(2)-H(3,4) bond lengths are 0.97 Å. In the third C site, C(4) is bonded in a distorted trigonal planar geometry to one C(1), one N(1), and one O(13) atom. The C(4)-N(1) bond length is 1.32 Å. The C(4)-O(13) bond length is 1.23 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(8) and one H(8) atom. The C(5)-C(8) bond length is 1.35 Å. The C(5)-H(8) bond length is 0.93 Å. In the fifth C site, C(6) is bonded in a distorted single-bond geometry to one C(22) and one H(9) atom. The C(6)-C(22) bond length is 1.37 Å. The C(6)-H(9) bond length is 0.93 Å. In the sixth C site, C(7) is bonded in a distorted single-bond geometry to one C(20) and one H(10) atom. The C(7)-C(20) bond length is 1.37 Å. The C(7)-H(10) bond length is 0.93 Å. In the seventh C site, C(8) is bonded in a trigonal planar geometry to one C(11), one C(5), and one S(1) atom. The C(8)-C(11) bond length is 1.48 Å. The C(8)-S(1) bond length is 1.72 Å. In the eighth C site, C(9) is bonded in a distorted single-bond geometry to one C(16) and one H(11) atom. The C(9)-C(16) bond length is 1.36 Å. The C(9)-H(11) bond length is 0.93 Å. In the ninth C site, C(10) is bonded in a distorted single-bond geometry to one C(12) and one H(12) atom. The C(10)-C(12) bond length is 1.36 Å. The C(10)-H(12) bond length is 0.93 Å. In the tenth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(1), and one O(2) atom. The C(11)-O(1) bond length is 1.25 Å. The C(11)-O(2) bond length is 1.25 Å. In the eleventh C site, C(12) is bonded in a trigonal planar geometry to one C(10), one C(19), and one S(2) atom. The C(12)-C(19) bond length is 1.48 Å. The C(12)-S(2) bond length is 1.72 Å. In the twelfth C site, C(13) is bonded in a distorted single-bond geometry to one C(17) and one H(13) atom. The C(13)-C(17) bond length is 1.36 Å. The C(13)-H(13) bond length is 0.93 Å. In the thirteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(20), one O(4), and one O(7) atom. The C(14)-C(20) bond length is 1.47 Å. The C(14)-O(4) bond length is 1.25 Å. The C(14)-O(7) bond length is 1.26 Å. In the fourteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(12), and one O(5) atom. The C(15)-C(16) bond length is 1.49 Å. The C(15)-O(12) bond length is 1.25 Å. The C(15)-O(5) bond length is 1.25 Å. In the fifteenth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(9), and one S(1) atom. The C(16)-S(1) bond length is 1.71 Å. In the sixteenth C site, C(17) is bonded in a trigonal planar geometry to one C(13), one C(21), and one S(3) atom. The C(17)-C(21) bond length is 1.49 Å. The C(17)-S(3) bond length is 1.71 Å. In the seventeenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(22), one O(6), and one O(8) atom. The C(18)-C(22) bond length is 1.48 Å. The C(18)-O(6) bond length is 1.28 Å. The C(18)-O(8) bond length is 1.25 Å. In the eighteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(10), and one O(9) atom. The C(19)-O(10) bond length is 1.27 Å. The C(19)-O(9) bond length is 1.24 Å. In the nineteenth C site, C(20) is bonded in a trigonal planar geometry to one C(14), one C(7), and one S(3) atom. The C(20)-S(3) bond length is 1.71 Å. In the twentieth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(17), one O(11), and one O(3) atom. The C(21)-O(11) bond length is 1.25 Å. The C(21)-O(3) bond length is 1.24 Å. In the twenty-first C site, C(22) is bonded in a trigonal planar geometry to one C(18), one C(6), and one S(2) atom. The C(22)-S(2) bond length is 1.71 Å. N(1) is bonded in a trigonal planar geometry to one C(2), one C(4), and one H(7) atom. The N(1)-H(7) bond length is 0.86 Å. There are nine inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(7) is bonded in a single-bond geometry to one N(1) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(10) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(11) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(12) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(13) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one C(16) and one C(8) atom. In the second S site, S(2) is bonded in an L-shaped geometry to one C(12) and one C(22) atom. In the third S site, S(3) is bonded in an L-shaped geometry to one C(17) and one C(20) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(11) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(3) and one C(11) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one C(21) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(2) and one C(14) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one C(15) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Mn(1) and one C(18) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(3) and one C(14) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Mn(3) and one C(18) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one C(19) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one C(19) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one C(21) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Mn(3) and one C(15) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one C(4) atom. Linkers: 12 [O]C(=O)c1ccc(C([O])=O)s1. Metal clusters: 12 [Mn]. The MOF has largest included sphere 5.42 A, density 1.32 g/cm3, surface area 3701.72 m2/g, accessible volume 0.40 cm3/g