FeH8(C2N)4(CH3)2 crystallizes in the monoclinic C2 space group. The structure consists of twelve 02329_fluka molecules inside a FeH8(C2N)4 framework. In the FeH8(C2N)4 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted tetrahedral geometry to two equivalent N(1) and two equivalent N(5) atoms. Both Fe(1)-N(1) bond lengths are 2.02 Å. Both Fe(1)-N(5) bond lengths are 2.02 Å. In the second Fe site, Fe(2) is bonded in a distorted tetrahedral geometry to one N(2), one N(3), one N(4), and one N(6) atom. The Fe(2)-N(2) bond length is 2.02 Å. The Fe(2)-N(3) bond length is 2.03 Å. The Fe(2)-N(4) bond length is 2.02 Å. The Fe(2)-N(6) bond length is 2.03 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(1), and one H(1) atom. The C(1)-C(7) bond length is 1.37 Å. The C(1)-N(1) bond length is 1.39 Å. The C(1)-H(1) bond length is 1.08 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(2), and one H(2) atom. The C(2)-C(8) bond length is 1.37 Å. The C(2)-N(2) bond length is 1.39 Å. The C(2)-H(2) bond length is 1.08 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(3), and one H(3) atom. The C(3)-C(9) bond length is 1.37 Å. The C(3)-N(3) bond length is 1.39 Å. The C(3)-H(3) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(13), one N(1), and one N(4) atom. The C(4)-C(13) bond length is 1.49 Å. The C(4)-N(1) bond length is 1.36 Å. The C(4)-N(4) bond length is 1.36 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(14), one N(2), and one N(5) atom. The C(5)-C(14) bond length is 1.49 Å. The C(5)-N(2) bond length is 1.36 Å. The C(5)-N(5) bond length is 1.36 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(15), one N(3), and one N(6) atom. The C(6)-C(15) bond length is 1.49 Å. The C(6)-N(3) bond length is 1.36 Å. The C(6)-N(6) bond length is 1.36 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(1); one N(4); and one H(4,5) atom. The C(7)-N(4) bond length is 1.39 Å. The C(7)-H(4,5) bond length is 1.08 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(2); one N(5); and one H(4,5) atom. The C(8)-N(5) bond length is 1.39 Å. The C(8)-H(4,5) bond length is 1.08 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(6), and one H(6) atom. The C(9)-N(6) bond length is 1.39 Å. The C(9)-H(6) bond length is 1.08 Å. In the tenth C site, C(13) is bonded in a distorted water-like geometry to one C(4); one H(16,17,18); and one H(19,20,21) atom. The C(13)-H(16,17,18) bond length is 1.10 Å. The C(13)-H(19,20,21) bond length is 1.10 Å. In the eleventh C site, C(14) is bonded in a distorted water-like geometry to one C(5); one H(16,17,18); and one H(19,20,21) atom. The C(14)-H(16,17,18) bond length is 1.10 Å. The C(14)-H(19,20,21) bond length is 1.10 Å. In the twelfth C site, C(15) is bonded in a distorted water-like geometry to one C(6); one H(16,17,18); and one H(19,20,21) atom. The C(15)-H(16,17,18) bond length is 1.10 Å. The C(15)-H(19,20,21) bond length is 1.10 Å. There are six 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(2), and one C(5) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Fe(2), one C(3), and one C(6) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Fe(2), one C(4), and one C(7) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Fe(1), one C(5), and one C(8) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Fe(2), one C(6), and one C(9) atom. There are seven 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(3) atom. In the fourth H site, H(4,5) 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(16,17,18) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(19,20,21) is bonded in a single-bond geometry to one C(13) atom. Linkers: 2 CCC1=N[CH]C=N1 ,4 CCC1=NC=C[N]1. Metal clusters: 3 [Fe]. The MOF has largest included sphere 1.81 A, density 1.55 g/cm3, surface area 4849.30 m2/g, accessible volume 0.12 cm3/g