FeC7NH5O5 crystallizes in the triclinic P1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to one N(1), one O(1), one O(15), one O(17), one O(8), and one O(9) atom. The Fe(1)-N(1) bond length is 1.91 Å. The Fe(1)-O(1) bond length is 1.97 Å. The Fe(1)-O(15) bond length is 1.95 Å. The Fe(1)-O(17) bond length is 2.04 Å. The Fe(1)-O(8) bond length is 2.18 Å. The Fe(1)-O(9) bond length is 2.05 Å. In the second Fe site, Fe(2) is bonded in an octahedral geometry to one N(2), one O(10), one O(16), one O(18), one O(2), and one O(7) atom. The Fe(2)-N(2) bond length is 2.10 Å. The Fe(2)-O(10) bond length is 1.97 Å. The Fe(2)-O(16) bond length is 2.04 Å. The Fe(2)-O(18) bond length is 2.09 Å. The Fe(2)-O(2) bond length is 2.11 Å. The Fe(2)-O(7) bond length is 2.26 Å. In the third Fe site, Fe(3) is bonded in an octahedral geometry to one N(3), one O(11), one O(13), one O(19), one O(3), and one O(6) atom. The Fe(3)-N(3) bond length is 2.09 Å. The Fe(3)-O(11) bond length is 2.02 Å. The Fe(3)-O(13) bond length is 2.04 Å. The Fe(3)-O(19) bond length is 2.05 Å. The Fe(3)-O(3) bond length is 2.14 Å. The Fe(3)-O(6) bond length is 2.32 Å. In the fourth Fe site, Fe(4) is bonded in an octahedral geometry to one N(4), one O(12), one O(14), one O(20), one O(4), and one O(5) atom. The Fe(4)-N(4) bond length is 2.10 Å. The Fe(4)-O(12) bond length is 2.03 Å. The Fe(4)-O(14) bond length is 2.00 Å. The Fe(4)-O(20) bond length is 2.09 Å. The Fe(4)-O(4) bond length is 2.10 Å. The Fe(4)-O(5) bond length is 2.28 Å. There are twenty-eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(13), and one O(9) atom. The C(1)-C(5) bond length is 1.51 Å. The C(1)-O(13) bond length is 1.28 Å. The C(1)-O(9) bond length is 1.27 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(10), and one O(14) atom. The C(2)-C(6) bond length is 1.49 Å. The C(2)-O(10) bond length is 1.26 Å. The C(2)-O(14) bond length is 1.28 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(11), and one O(15) atom. The C(3)-C(7) bond length is 1.50 Å. The C(3)-O(11) bond length is 1.27 Å. The C(3)-O(15) bond length is 1.28 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(12), and one O(16) atom. The C(4)-C(8) bond length is 1.49 Å. The C(4)-O(12) bond length is 1.27 Å. The C(4)-O(16) bond length is 1.27 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(1), one C(25), and one C(9) atom. The C(5)-C(25) bond length is 1.41 Å. The C(5)-C(9) bond length is 1.40 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(10), one C(2), and one C(26) atom. The C(6)-C(10) bond length is 1.40 Å. The C(6)-C(26) bond length is 1.41 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(11), one C(27), and one C(3) atom. The C(7)-C(11) bond length is 1.40 Å. The C(7)-C(27) bond length is 1.41 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(12), one C(28), and one C(4) atom. The C(8)-C(12) bond length is 1.39 Å. The C(8)-C(28) bond length is 1.41 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one H(1) atom. The C(9)-N(1) bond length is 1.35 Å. The C(9)-H(1) bond length is 1.08 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(6), one N(2), and one H(2) atom. The C(10)-N(2) bond length is 1.34 Å. The C(10)-H(2) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(3), and one H(3) atom. The C(11)-N(3) bond length is 1.34 Å. The C(11)-H(3) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(8), one N(4), and one H(4) atom. The C(12)-N(4) bond length is 1.34 Å. The C(12)-H(4) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(21) and one H(5) atom. The C(13)-C(21) bond length is 1.39 Å. The C(13)-H(5) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(22), one C(26), and one H(6) atom. The C(14)-C(22) bond length is 1.39 Å. The C(14)-C(26) bond length is 1.39 Å. The C(14)-H(6) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(23) and one H(7) atom. The C(15)-C(23) bond length is 1.39 Å. The C(15)-H(7) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(24) and one H(8) atom. The C(16)-C(24) bond length is 1.40 Å. The C(16)-H(8) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(21), one O(1), and one O(5) atom. The C(17)-C(21) bond length is 1.48 Å. The C(17)-O(1) bond length is 1.28 Å. The C(17)-O(5) bond length is 1.28 Å. In the eighteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(22), one O(2), and one O(6) atom. The C(18)-C(22) bond length is 1.49 Å. The C(18)-O(2) bond length is 1.28 Å. The C(18)-O(6) bond length is 1.28 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(23), one O(3), and one O(7) atom. The C(19)-C(23) bond length is 1.50 Å. The C(19)-O(3) bond length is 1.29 Å. The C(19)-O(7) bond length is 1.26 Å. In the twentieth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(24), one O(4), and one O(8) atom. The C(20)-C(24) bond length is 1.49 Å. The C(20)-O(4) bond length is 1.27 Å. The C(20)-O(8) bond length is 1.29 Å. In the twenty-first C site, C(21) is bonded in a distorted trigonal planar geometry to one C(13), one C(17), and one N(1) atom. The C(21)-N(1) bond length is 1.37 Å. In the twenty-second C site, C(22) is bonded in a distorted trigonal planar geometry to one C(14), one C(18), and one N(2) atom. The C(22)-N(2) bond length is 1.36 Å. In the twenty-third C site, C(23) is bonded in a distorted trigonal planar geometry to one C(15), one C(19), and one N(3) atom. The C(23)-N(3) bond length is 1.36 Å. In the twenty-fourth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(16), one C(20), and one N(4) atom. The C(24)-N(4) bond length is 1.36 Å. In the twenty-fifth C site, C(25) is bonded in a distorted single-bond geometry to one C(5) and one H(9) atom. The C(25)-H(9) bond length is 1.09 Å. In the twenty-sixth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(14), one C(6), and one H(10) atom. The C(26)-H(10) bond length is 1.09 Å. In the twenty-seventh C site, C(27) is bonded in a distorted single-bond geometry to one C(7) and one H(11) atom. The C(27)-H(11) bond length is 1.09 Å. In the twenty-eighth C site, C(28) is bonded in a distorted single-bond geometry to one C(8) and one H(12) atom. The C(28)-H(12) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Fe(1), one C(21), and one C(9) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Fe(2), one C(10), and one C(22) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Fe(3), one C(11), and one C(23) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Fe(4), one C(12), and one C(24) atom. There are twenty inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(10) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(11) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(15) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(16) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(25) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(26) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(27) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(28) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(17) atom. The H(13)-O(17) bond length is 1.00 Å. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(18) atom. The H(14)-O(18) bond length is 0.97 Å. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(19) atom. The H(15)-O(19) bond length is 0.98 Å. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(20) atom. The H(16)-O(20) bond length is 0.97 Å. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(17) atom. The H(17)-O(17) bond length is 0.98 Å. In the eighteenth H site, H(18) is bonded in a distorted single-bond geometry to one O(18) and one O(8) atom. The H(18)-O(18) bond length is 1.00 Å. The H(18)-O(8) bond length is 1.67 Å. In the nineteenth H site, H(19) is bonded in a distorted linear geometry to one O(19) and one O(5) atom. The H(19)-O(19) bond length is 1.01 Å. The H(19)-O(5) bond length is 1.63 Å. In the twentieth H site, H(20) is bonded in a distorted single-bond geometry to one O(20) and one O(6) atom. The H(20)-O(20) bond length is 1.01 Å. The H(20)-O(6) bond length is 1.67 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(17) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(18) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(3) and one C(19) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(4) and one C(20) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(4), one C(17), and one H(19) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(3), one C(18), and one H(20) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one C(19) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one C(20), and one H(18) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one C(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(2) and one C(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Fe(3) and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Fe(4) and one C(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one C(1) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Fe(4) and one C(2) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Fe(1) and one C(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one C(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one H(13), and one H(17) atom. In the eighteenth O site, O(18) is bonded in a distorted water-like geometry to one Fe(2), one H(14), and one H(18) atom. In the nineteenth O site, O(19) is bonded in a distorted water-like geometry to one Fe(3), one H(15), and one H(19) atom. In the twentieth O site, O(20) is bonded in a distorted water-like geometry to one Fe(4), one H(16), and one H(20) atom. Linkers: 4 [O]C(=O)c1ccc(C([O])=O)nc1. Metal clusters: 4 [Fe]. The MOF has largest included sphere 1.42 A, density 2.17 g/cm3, surface area 2899.26 m2/g, accessible volume 0.09 cm3/g