FeC22H14(NO2)2 crystallizes in the orthorhombic Pcca space group. The structure consists of a FeC22H14(NO2)2 framework. Fe(1) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(2), one O(1), one O(2), and one O(4) atom. The Fe(1)-N(1) bond length is 2.15 Å. The Fe(1)-N(2) bond length is 2.14 Å. The Fe(1)-O(1) bond length is 2.06 Å. The Fe(1)-O(2) bond length is 2.01 Å. The Fe(1)-O(4) bond length is 2.00 Å. There are twenty-two inequivalent C sites. In the first C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(2) atom. The C(2)-C(1) bond length is 1.39 Å. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(2) bond length is 1.09 Å. In the second C site, C(18) is bonded in a distorted single-bond geometry to one C(17) and one H(12) atom. The C(18)-C(17) bond length is 1.42 Å. The C(18)-H(12) bond length is 1.09 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(3)-C(4) bond length is 1.41 Å. The C(3)-C(6) bond length is 1.47 Å. In the fourth C site, C(19) is bonded in a distorted single-bond geometry to one C(20) and one H(13) atom. The C(19)-C(20) bond length is 1.42 Å. The C(19)-H(13) bond length is 1.09 Å. In the fifth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 1.09 Å. In the sixth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(22) atom. The C(20)-C(21) bond length is 1.38 Å. The C(20)-C(22) bond length is 1.50 Å. In the seventh C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one H(4) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(4) bond length is 1.09 Å. In the eighth C site, C(21) is bonded in a distorted single-bond geometry to one C(16), one C(20), and one H(14) atom. The C(21)-C(16) bond length is 1.41 Å. The C(21)-H(14) bond length is 1.09 Å. In the ninth C site, C(6) is bonded in a trigonal planar geometry to one C(10), one C(3), and one C(7) atom. The C(6)-C(10) bond length is 1.41 Å. The C(6)-C(7) bond length is 1.41 Å. In the tenth C site, C(22) is bonded in a bent 120 degrees geometry to one C(20), one O(3), and one O(4) atom. The C(22)-O(3) bond length is 1.25 Å. The C(22)-O(4) bond length is 1.30 Å. In the eleventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6), one C(8), and one H(5) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-H(5) bond length is 1.09 Å. In the twelfth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(7), one N(2), and one H(6) atom. The C(8)-N(2) bond length is 1.35 Å. The C(8)-H(6) bond length is 1.09 Å. In the thirteenth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(2), and one H(7) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-N(2) bond length is 1.35 Å. The C(9)-H(7) bond length is 1.09 Å. In the fourteenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(6), one C(9), and one H(8) atom. The C(10)-H(8) bond length is 1.09 Å. In the fifteenth C site, C(11) is bonded in a bent 120 degrees geometry to one C(13), one O(1), and one O(2) atom. The C(11)-C(13) bond length is 1.48 Å. The C(11)-O(1) bond length is 1.29 Å. The C(11)-O(2) bond length is 1.27 Å. In the sixteenth C site, C(12) is bonded in a distorted single-bond geometry to one C(13), one C(17), and one H(9) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-C(17) bond length is 1.41 Å. The C(12)-H(9) bond length is 1.09 Å. In the seventeenth C site, C(13) is bonded in a trigonal planar geometry to one C(11), one C(12), and one C(14) atom. The C(13)-C(14) bond length is 1.42 Å. In the eighteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(10) atom. The C(14)-H(10) bond length is 1.09 Å. In the nineteenth C site, C(17) is bonded in a trigonal planar geometry to one C(12), one C(16), and one C(18) atom. The C(17)-C(16) bond length is 1.44 Å. In the twentieth C site, C(15) is bonded in a distorted single-bond geometry to one C(16) and one H(11) atom. The C(15)-C(16) bond length is 1.42 Å. The C(15)-H(11) bond length is 1.09 Å. In the twenty-first C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(21) atom. In the twenty-second C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Fe(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Fe(1), one C(8), and one C(9) atom. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) 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 C(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(12) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(15) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(18) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(19) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(21) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Fe(1) and one C(11) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Fe(1) and one C(11) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(22) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Fe(1) and one C(22) atom. Linkers: 8 [O]C(=O)c1ccc2cc(C([O])=O)ccc2c1. Metal clusters: 4 O=[C]O[Fe]1O[C]O[Fe](O[C]=O)O[C]O1. RCSR code: sql. The MOF has largest included sphere 4.95 A, density 1.24 g/cm3, surface area 4464.79 m2/g, accessible volume 0.36 cm3/g