Fe3C20H14(NO4)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one N(1), one O(1), one O(4), one O(5), one O(6), and one O(8) atom to form distorted corner-sharing FeNO5 octahedra. The corner-sharing octahedral tilt angles are 65°. The Fe(1)-N(1) bond length is 2.22 Å. The Fe(1)-O(1) bond length is 2.08 Å. The Fe(1)-O(4) bond length is 2.00 Å. The Fe(1)-O(5) bond length is 2.20 Å. The Fe(1)-O(6) bond length is 2.08 Å. The Fe(1)-O(8) bond length is 2.26 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 65°. Both Fe(2)-O(3) bond lengths are 1.98 Å. Both Fe(2)-O(7) bond lengths are 2.13 Å. Both Fe(2)-O(8) bond lengths are 2.29 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one O(1) atom. The C(1)-C(2) bond length is 1.44 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-O(1) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(7) bond length is 1.42 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(1) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(9) atom. The C(4)-C(5) bond length is 1.42 Å. The C(4)-C(9) bond length is 1.49 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(10), one C(4), and one C(6) atom. The C(5)-C(10) bond length is 1.50 Å. The C(5)-C(6) bond length is 1.39 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5), one C(7), and one H(2) atom. The C(6)-C(7) bond length is 1.41 Å. The C(6)-H(2) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(8) atom. The C(7)-C(8) bond length is 1.45 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(2), and one O(2) atom. The C(8)-N(2) bond length is 1.36 Å. The C(8)-O(2) bond length is 1.28 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(3), and one O(4) atom. The C(9)-O(3) bond length is 1.27 Å. The C(9)-O(4) bond length is 1.27 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(5), and one O(6) atom. The C(10)-O(5) bond length is 1.28 Å. The C(10)-O(6) bond length is 1.26 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Fe(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.36 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one C(8), one N(1), and one H(3) atom. The N(2)-H(3) bond length is 1.03 Å. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(5) and one O(7) atom. The H(4)-O(5) bond length is 1.56 Å. The H(4)-O(7) bond length is 1.02 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. The H(5)-O(7) bond length is 1.00 Å. In the sixth H site, H(6) is bonded in a linear geometry to one O(2) and one O(8) atom. The H(6)-O(2) bond length is 1.56 Å. The H(6)-O(8) bond length is 1.03 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(8) atom. The H(7)-O(8) bond length is 0.98 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Fe(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one C(8) and one H(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(2) and one C(9) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one C(9) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one C(10), and one H(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one C(10) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Fe(2), one H(4), and one H(5) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Fe(1), one Fe(2), one H(6), and one H(7) atom. Linkers: 2 [O]C(=O)c1cc2c(cc1C([O])=O)C(=O)N[N]C2=O. Metal clusters: 3 [Fe]. The MOF has largest included sphere 2.50 A, density 2.13 g/cm3, surface area 2427.77 m2/g, accessible volume 0.05 cm3/g