MnC6H6(NO)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent N(2), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing MnN2O4 octahedra. The corner-sharing octahedral tilt angles are 58°. Both Mn(1)-N(2) bond lengths are 2.18 Å. Both Mn(1)-O(1) bond lengths are 2.10 Å. Both Mn(1)-O(3) bond lengths are 2.26 Å. In the second Mn site, Mn(2) is bonded to two equivalent N(2), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MnN2O4 octahedra. The corner-sharing octahedral tilt angles are 58°. Both Mn(2)-N(2) bond lengths are 2.24 Å. Both Mn(2)-O(2) bond lengths are 2.10 Å. Both Mn(2)-O(4) bond lengths are 2.18 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(5), and one C(6) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(5) bond length is 1.40 Å. The C(1)-C(6) bond length is 1.50 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.38 Å. The C(2)-H(1) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(2) atom. The C(3)-N(1) bond length is 1.36 Å. The C(3)-H(2) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one H(3) atom. The C(4)-C(5) bond length is 1.38 Å. The C(4)-N(1) bond length is 1.36 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(4), and one H(4) atom. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(6)-O(1) bond length is 1.27 Å. The C(6)-O(2) bond length is 1.27 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(3), one C(4), and one O(3) atom. The N(1)-O(3) bond length is 1.33 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one N(3) atom. The N(2)-N(3) bond length is 1.20 Å. In the third N site, N(3) is bonded in a linear geometry to one N(2) and one N(4) atom. The N(3)-N(4) bond length is 1.17 Å. In the fourth N site, N(4) is bonded in a single-bond geometry to one N(3) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) 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(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) and one O(4) atom. The H(5)-O(3) bond length is 1.75 Å. The H(5)-O(4) bond length is 1.00 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) atom. The H(6)-O(4) bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one C(6) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one C(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one N(1), and one H(5) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Mn(2), one H(5), and one H(6) atom. Linkers: 2 [O]C(=O)c1cc[n+]([O-])cc1. Metal clusters: 2 [Mn]. The MOF has largest included sphere 1.86 A, density 1.96 g/cm3, surface area 3326.26 m2/g, accessible volume 0.09 cm3/g