Fe2C21N4H13O9(CH)3 crystallizes in the triclinic P-1 space group. The structure consists of six 02329_fluka molecules inside a Fe2C21N4H13O9 framework. In the Fe2C21N4H13O9 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one N(1), one N(3), one O(2), one O(3), one O(5), and one O(6) atom to form corner-sharing FeN2O4 octahedra. The corner-sharing octahedral tilt angles are 68°. The Fe(1)-N(1) bond length is 2.19 Å. The Fe(1)-N(3) bond length is 2.19 Å. The Fe(1)-O(2) bond length is 2.16 Å. The Fe(1)-O(3) bond length is 2.22 Å. The Fe(1)-O(5) bond length is 2.10 Å. The Fe(1)-O(6) bond length is 2.05 Å. In the second Fe site, Fe(2) is bonded to one N(2), one N(4), one O(1), one O(3), one O(4), and one O(7) atom to form corner-sharing FeN2O4 octahedra. The corner-sharing octahedral tilt angles are 68°. The Fe(2)-N(2) bond length is 2.23 Å. The Fe(2)-N(4) bond length is 2.19 Å. The Fe(2)-O(1) bond length is 2.08 Å. The Fe(2)-O(3) bond length is 2.21 Å. The Fe(2)-O(4) bond length is 2.17 Å. The Fe(2)-O(7) bond length is 2.07 Å. There are twenty-one 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 H(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 0.93 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(6) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-C(6) bond length is 1.51 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(2) atom. The C(3)-H(2) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(3) atom. The C(4)-N(1) bond length is 1.34 Å. The C(4)-H(3) bond length is 0.93 Å. In the fifth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(6)-O(1) bond length is 1.26 Å. The C(6)-O(2) bond length is 1.25 Å. In the sixth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(2), and one H(5) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-N(2) bond length is 1.34 Å. The C(7)-H(5) bond length is 0.93 Å. In the seventh C site, C(8) is bonded in a trigonal planar geometry to one C(16), one C(7), and one C(9) atom. The C(8)-C(16) bond length is 1.51 Å. The C(8)-C(9) bond length is 1.39 Å. In the eighth C site, C(9) is bonded in a distorted single-bond geometry to one C(8) and one H(6) atom. The C(9)-H(6) bond length is 0.93 Å. In the ninth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(3), and one H(7) atom. The C(10)-C(13) bond length is 1.38 Å. The C(10)-N(3) bond length is 1.34 Å. The C(10)-H(7) bond length is 0.93 Å. In the tenth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(9) atom. The C(12)-N(3) bond length is 1.34 Å. The C(12)-H(9) bond length is 0.93 Å. In the eleventh C site, C(13) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(20) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-C(20) bond length is 1.51 Å. In the twelfth 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 0.93 Å. In the thirteenth C site, C(15) is bonded in a 2-coordinate geometry to one C(21), one N(4), and one H(11) atom. The C(15)-C(21) bond length is 1.38 Å. The C(15)-N(4) bond length is 1.34 Å. The C(15)-H(11) bond length is 0.93 Å. In the fourteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(5), and one O(9) atom. The C(16)-O(5) bond length is 1.26 Å. The C(16)-O(9) bond length is 1.25 Å. In the fifteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(21), one O(4), and one O(6) atom. The C(17)-C(21) bond length is 1.51 Å. The C(17)-O(4) bond length is 1.25 Å. The C(17)-O(6) bond length is 1.27 Å. In the sixteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(19), one N(2), and one H(12) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-N(2) bond length is 1.35 Å. The C(18)-H(12) bond length is 0.93 Å. In the seventeenth C site, C(19) is bonded in a distorted single-bond geometry to one C(18) and one H(13) atom. The C(19)-H(13) bond length is 0.93 Å. In the eighteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(7), and one O(8) atom. The C(20)-O(7) bond length is 1.27 Å. The C(20)-O(8) bond length is 1.25 Å. In the nineteenth C site, C(21) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(23) atom. The C(21)-C(23) bond length is 1.39 Å. In the twentieth C site, C(22) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(14) atom. The C(22)-N(4) bond length is 1.34 Å. The C(22)-H(14) bond length is 0.93 Å. In the twenty-first C site, C(23) is bonded in a distorted single-bond geometry to one C(21) and one H(15) atom. The C(23)-H(15) bond length is 0.93 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(1), and one C(4) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Fe(2), one C(18), and one C(7) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Fe(1), one C(10), and one C(12) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Fe(2), one C(15), and one C(22) atom. There are thirteen 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(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(5) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(12) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(15) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(18) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(19) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(22) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one C(23) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(6) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(6) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one C(17) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(16) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(17) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(20) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one C(20) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one C(16) atom. Linkers: 8 [O]C(=O)c1cccnc1. Metal clusters: 2 O=[C]O[Fe@]12O[C]O[Fe@](O[C]=O)(O[C]O1)O2. The MOF has largest included sphere 4.72 A, density 1.40 g/cm3, surface area 4085.83 m2/g, accessible volume 0.24 cm3/g