Fe5C4N20H8OF7 crystallizes in the monoclinic Pm space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent N(1,6) and two equivalent F(3,4) atoms to form corner-sharing FeN4F2 octahedra. The corner-sharing octahedral tilt angles are 69°. All Fe(1)-N(1,6) bond lengths are 2.20 Å. Both Fe(1)-F(3,4) bond lengths are 2.00 Å. In the second Fe site, Fe(2) is bonded to four equivalent N(2,7) and two equivalent F(3,4) atoms to form corner-sharing FeN4F2 octahedra. The corner-sharing octahedral tilt angles are 69°. All Fe(2)-N(2,7) bond lengths are 2.16 Å. Both Fe(2)-F(3,4) bond lengths are 2.05 Å. In the third Fe site, Fe(3) is bonded to one N(4), one N(9), one O(1), one F(1), one F(2), and one F(5) atom to form edge-sharing FeN2OF3 octahedra. The Fe(3)-N(4) bond length is 2.15 Å. The Fe(3)-N(9) bond length is 2.15 Å. The Fe(3)-O(1) bond length is 2.13 Å. The Fe(3)-F(1) bond length is 2.06 Å. The Fe(3)-F(2) bond length is 2.06 Å. The Fe(3)-F(5) bond length is 2.13 Å. In the fourth Fe site, Fe(4) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. Both Fe(4)-F(1) bond lengths are 1.93 Å. Both Fe(4)-F(2) bond lengths are 1.93 Å. C(1,2) is bonded in a trigonal planar geometry to one N(2,7); one N(4); and one N(5,10) atom. The C(1,2)-N(2,7) bond length is 1.33 Å. The C(1,2)-N(4) bond length is 1.35 Å. The C(1,2)-N(5,10) bond length is 1.54 Å. There are six inequivalent N sites. In the first N site, N(1,6) is bonded in a distorted trigonal planar geometry to one Fe(1); one N(2,7); and one N(3,8) atom. The N(1,6)-N(2,7) bond length is 1.38 Å. The N(1,6)-N(3,8) bond length is 1.30 Å. In the second N site, N(2,7) is bonded in a distorted trigonal planar geometry to one Fe(2); one C(1,2); and one N(1,6) atom. In the third N site, N(3,8) is bonded in a bent 120 degrees geometry to one N(1,6) and one N(4) atom. The N(3,8)-N(4) bond length is 1.32 Å. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Fe(3); one C(1,2); and one N(3,8) atom. In the fifth N site, N(5,10) is bonded in a trigonal planar geometry to one C(1,2); one H(1,3); and one H(2,4) atom. The N(5,10)-H(1,3) bond length is 0.86 Å. The N(5,10)-H(2,4) bond length is 0.86 Å. In the sixth N site, N(9) is bonded in a distorted trigonal planar geometry to one Fe(3); one C(1,2); and one N(3,8) atom. The N(9)-C(1,2) bond length is 1.35 Å. The N(9)-N(3,8) bond length is 1.32 Å. There are two inequivalent H sites. In the first H site, H(1,3) is bonded in a single-bond geometry to one N(5,10) atom. In the second H site, H(2,4) is bonded in a single-bond geometry to one N(5,10) atom. O(1) is bonded in a water-like geometry to two equivalent Fe(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Fe(3) and one Fe(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Fe(3) and one Fe(4) atom. In the third F site, F(3,4) is bonded in a water-like geometry to one Fe(1) and one Fe(2) atom. In the fourth F site, F(5) is bonded in a water-like geometry to two equivalent Fe(3) atoms. Linkers: 4 NC1=NN=N[N]1. Metal clusters: 5 [Fe]. The MOF has largest included sphere 4.05 A, density 1.84 g/cm3, surface area 2714.54 m2/g, accessible volume 0.17 cm3/g