Mn6As4N6H12S13 is alpha Po structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four Mn6As4N6H12S13 clusters. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one N(1), one S(1), one S(2), one S(3), one S(4), and one S(5) atom to form a mixture of edge and corner-sharing MnS5N octahedra. The corner-sharing octahedral tilt angles are 1°. The Mn(1)-N(1) bond length is 2.27 Å. The Mn(1)-S(1) bond length is 2.59 Å. The Mn(1)-S(2) bond length is 2.63 Å. The Mn(1)-S(3) bond length is 2.59 Å. The Mn(1)-S(4) bond length is 2.62 Å. The Mn(1)-S(5) bond length is 2.61 Å. In the second Mn site, Mn(2) is bonded to one N(3), one S(1), one S(2), one S(6), one S(7), and one S(8) atom to form a mixture of edge and corner-sharing MnS5N octahedra. The corner-sharing octahedral tilt angles are 2°. The Mn(2)-N(3) bond length is 2.25 Å. The Mn(2)-S(1) bond length is 2.58 Å. The Mn(2)-S(2) bond length is 2.61 Å. The Mn(2)-S(6) bond length is 2.62 Å. The Mn(2)-S(7) bond length is 2.61 Å. The Mn(2)-S(8) bond length is 2.61 Å. In the third Mn site, Mn(3) is bonded to one N(5), one S(1), one S(10), one S(13), one S(3), and one S(6) atom to form a mixture of edge and corner-sharing MnS5N octahedra. The corner-sharing octahedral tilt angles are 1°. The Mn(3)-N(5) bond length is 2.28 Å. The Mn(3)-S(1) bond length is 2.58 Å. The Mn(3)-S(10) bond length is 2.61 Å. The Mn(3)-S(13) bond length is 2.65 Å. The Mn(3)-S(3) bond length is 2.63 Å. The Mn(3)-S(6) bond length is 2.61 Å. In the fourth Mn site, Mn(4) is bonded to one N(4), one S(1), one S(10), one S(11), one S(12), and one S(4) atom to form a mixture of edge and corner-sharing MnS5N octahedra. The corner-sharing octahedral tilt angles are 2°. The Mn(4)-N(4) bond length is 2.31 Å. The Mn(4)-S(1) bond length is 2.60 Å. The Mn(4)-S(10) bond length is 2.62 Å. The Mn(4)-S(11) bond length is 2.61 Å. The Mn(4)-S(12) bond length is 2.61 Å. The Mn(4)-S(4) bond length is 2.59 Å. In the fifth Mn site, Mn(5) is bonded to one N(6), one S(1), one S(11), one S(5), one S(7), and one S(9) atom to form a mixture of edge and corner-sharing MnS5N octahedra. The corner-sharing octahedral tilt angles are 1°. The Mn(5)-N(6) bond length is 2.26 Å. The Mn(5)-S(1) bond length is 2.56 Å. The Mn(5)-S(11) bond length is 2.66 Å. The Mn(5)-S(5) bond length is 2.62 Å. The Mn(5)-S(7) bond length is 2.62 Å. The Mn(5)-S(9) bond length is 2.61 Å. In the sixth Mn site, Mn(6) is bonded to one N(2), one S(1), one S(12), one S(13), one S(8), and one S(9) atom to form a mixture of edge and corner-sharing MnS5N octahedra. The corner-sharing octahedral tilt angles are 1°. The Mn(6)-N(2) bond length is 2.25 Å. The Mn(6)-S(1) bond length is 2.59 Å. The Mn(6)-S(12) bond length is 2.60 Å. The Mn(6)-S(13) bond length is 2.63 Å. The Mn(6)-S(8) bond length is 2.60 Å. The Mn(6)-S(9) bond length is 2.62 Å. There are four inequivalent As sites. In the first As site, As(1) is bonded in a distorted trigonal non-coplanar geometry to one S(2), one S(3), and one S(6) atom. The As(1)-S(2) bond length is 2.26 Å. The As(1)-S(3) bond length is 2.24 Å. The As(1)-S(6) bond length is 2.24 Å. In the second As site, As(2) is bonded in a distorted trigonal non-coplanar geometry to one S(11), one S(4), and one S(5) atom. The As(2)-S(11) bond length is 2.25 Å. The As(2)-S(4) bond length is 2.25 Å. The As(2)-S(5) bond length is 2.26 Å. In the third As site, As(3) is bonded in a distorted trigonal non-coplanar geometry to one S(7), one S(8), and one S(9) atom. The As(3)-S(7) bond length is 2.24 Å. The As(3)-S(8) bond length is 2.25 Å. The As(3)-S(9) bond length is 2.24 Å. In the fourth As site, As(4) is bonded in a distorted trigonal non-coplanar geometry to one S(10), one S(12), and one S(13) atom. The As(4)-S(10) bond length is 2.26 Å. The As(4)-S(12) bond length is 2.25 Å. The As(4)-S(13) bond length is 2.24 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a water-like geometry to one Mn(1) and two equivalent H(1,2) atoms. Both N(1)-H(1,2) bond lengths are 0.90 Å. In the second N site, N(2) is bonded in a water-like geometry to one Mn(6), one H(3), and one H(4) atom. The N(2)-H(3) bond length is 0.90 Å. The N(2)-H(4) bond length is 0.90 Å. In the third N site, N(3) is bonded in a water-like geometry to one Mn(2) and two equivalent H(5,6) atoms. Both N(3)-H(5,6) bond lengths are 0.90 Å. In the fourth N site, N(4) is bonded in a water-like geometry to one Mn(4) and two equivalent H(7,8) atoms. Both N(4)-H(7,8) bond lengths are 0.90 Å. In the fifth N site, N(5) is bonded in a water-like geometry to one Mn(3) and two equivalent H(9,10) atoms. Both N(5)-H(9,10) bond lengths are 0.90 Å. In the sixth N site, N(6) is bonded in a water-like geometry to one Mn(5) and two equivalent H(11,12) atoms. Both N(6)-H(11,12) bond lengths are 0.90 Å. There are seven inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(4) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(5,6) is bonded in a single-bond geometry to one N(3) atom. In the fifth H site, H(7,8) is bonded in a single-bond geometry to one N(4) atom. In the sixth H site, H(9,10) is bonded in a single-bond geometry to one N(5) atom. In the seventh H site, H(11,12) is bonded in a single-bond geometry to one N(6) atom. There are thirteen inequivalent S sites. In the first S site, S(1) is bonded in an octahedral geometry to one Mn(1), one Mn(2), one Mn(3), one Mn(4), one Mn(5), and one Mn(6) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one As(1) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one As(1) atom. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one As(2) atom. In the fifth S site, S(5) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(5), and one As(2) atom. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one As(1) atom. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(5), and one As(3) atom. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(6), and one As(3) atom. In the ninth S site, S(9) is bonded in a distorted T-shaped geometry to one Mn(5), one Mn(6), and one As(3) atom. In the tenth S site, S(10) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(4), and one As(4) atom. In the eleventh S site, S(11) is bonded in a distorted T-shaped geometry to one Mn(4), one Mn(5), and one As(2) atom. In the twelfth S site, S(12) is bonded in a distorted T-shaped geometry to one Mn(4), one Mn(6), and one As(4) atom. In the thirteenth S site, S(13) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(6), and one As(4) atom. Linkers: 16 [S][As]([S])[S] ,12 NN. Metal clusters: 24 [Mn]. The MOF has largest included sphere 6.23 A, density 1.67 g/cm3, surface area 2267.30 m2/g, accessible volume 0.34 cm3/g