(FeH20(C6N)6)3FeH12(C2N)6 is alpha Po structured and crystallizes in the cubic Pn-3 space group. The structure is zero-dimensional and consists of two FeH12(C2N)6 clusters and six FeH20(C6N)6 clusters. In each FeH12(C2N)6 cluster, Fe(2) is bonded in an octahedral geometry to six equivalent N(3) atoms. All Fe(2)-N(3) bond lengths are 2.17 Å. C(8) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(6) atom. The C(8)-N(3) bond length is 1.33 Å. The C(8)-H(6) bond length is 0.93 Å. N(3) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent C(8) atoms. H(6) is bonded in a single-bond geometry to one C(8) atom. In each FeH20(C6N)6 cluster, Fe(1) is bonded in an octahedral geometry to two equivalent N(2) and four equivalent N(1) atoms. Both Fe(1)-N(2) bond lengths are 2.05 Å. All Fe(1)-N(1) bond lengths are 1.99 Å. There are eleven inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(1) atom. The C(1)-N(2) bond length is 1.32 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(9) and one H(2) atom. The C(2)-C(9) bond length is 1.35 Å. The C(2)-H(2) bond length is 0.93 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(10), one C(4), and one N(1) atom. The C(3)-C(10) bond length is 1.39 Å. The C(3)-C(4) bond length is 1.44 Å. The C(3)-N(1) bond length is 1.39 Å. In the fourth 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 1.33 Å. The C(4)-H(3) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(4) atom. The C(5)-C(6) bond length is 1.45 Å. The C(5)-H(4) bond length is 0.93 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(11), one C(5), and one N(1) atom. The C(6)-C(11) bond length is 1.38 Å. The C(6)-N(1) bond length is 1.39 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(12) and one H(5) atom. The C(7)-C(12) bond length is 1.32 Å. The C(7)-H(5) bond length is 0.93 Å. In the eighth C site, C(9) is bonded in a trigonal planar geometry to one C(10) and two equivalent C(2) atoms. The C(9)-C(10) bond length is 1.49 Å. In the ninth C site, C(10) is bonded in a trigonal planar geometry to one C(9) and two equivalent C(3) atoms. In the tenth C site, C(11) is bonded in a trigonal planar geometry to one C(12) and two equivalent C(6) atoms. The C(11)-C(12) bond length is 1.47 Å. In the eleventh C site, C(12) is bonded in a trigonal planar geometry to one C(11) and two equivalent C(7) atoms. 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(3), and one C(6) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent C(1) atoms. There are five inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(5) 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(1) is bonded in a single-bond geometry to one C(1) atom. Linkers: 6 C1=C/C2=C(\c3ccncc3)C3=CC=C([N]3)/C(c3ccncc3)=C3/C=CC(=N3)/C(c3ccncc3)=C3/C=C/C(=C(\c4ccncc4)C1=N2)[N]3. Metal clusters: 8 [Fe]. The MOF has largest included sphere 8.02 A, density 0.91 g/cm3, surface area 4087.96 m2/g, accessible volume 0.57 cm3/g