FeAu2H8(C2N)8 crystallizes in the monoclinic Cm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted octahedral geometry to one N(1), one N(10), one N(3), one N(5), one N(6), and one N(8) atom. The Fe(1)-N(1) bond length is 1.98 Å. The Fe(1)-N(10) bond length is 1.90 Å. The Fe(1)-N(3) bond length is 2.48 Å. The Fe(1)-N(5) bond length is 1.91 Å. The Fe(1)-N(6) bond length is 1.90 Å. The Fe(1)-N(8) bond length is 1.91 Å. In the second Fe site, Fe(2) is bonded in a distorted octahedral geometry to one N(2), one N(4), two equivalent N(7), and two equivalent N(9) atoms. The Fe(2)-N(2) bond length is 2.48 Å. The Fe(2)-N(4) bond length is 1.98 Å. Both Fe(2)-N(7) bond lengths are 1.90 Å. Both Fe(2)-N(9) bond lengths are 1.91 Å. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted linear geometry to one C(21) and one C(25) atom. The Au(1)-C(21) bond length is 1.97 Å. The Au(1)-C(25) bond length is 1.97 Å. In the second Au site, Au(2) is bonded in a distorted linear geometry to one C(22) and one C(24) atom. The Au(2)-C(22) bond length is 1.97 Å. The Au(2)-C(24) bond length is 1.97 Å. In the third Au site, Au(3) is bonded in a distorted linear geometry to one C(23) and one C(26) atom. The Au(3)-C(23) bond length is 1.96 Å. The Au(3)-C(26) bond length is 1.96 Å. There are twenty-six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(7), one N(1), and one H(1) atom. The C(1)-C(7) bond length is 1.38 Å. The C(1)-N(1) bond length is 1.36 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(8); one N(1); and one H(2,5) atom. The C(2)-C(8) bond length is 1.38 Å. The C(2)-N(1) bond length is 1.36 Å. The C(2)-H(2,5) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(9), one N(2), and one H(3) atom. The C(3)-C(9) bond length is 1.39 Å. The C(3)-N(2) bond length is 1.34 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(10), one N(3), and one H(4) atom. The C(4)-C(10) bond length is 1.39 Å. The C(4)-N(3) bond length is 1.34 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(11); one N(4); and one H(2,5) atom. The C(5)-C(11) bond length is 1.38 Å. The C(5)-N(4) bond length is 1.36 Å. The C(5)-H(2,5) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(12), one N(3), and one H(6) atom. The C(6)-C(12) bond length is 1.39 Å. The C(6)-N(3) bond length is 1.34 Å. The C(6)-H(6) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(1), one C(13), and one H(7) atom. The C(7)-C(13) bond length is 1.40 Å. The C(7)-H(7) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(13), one C(2), and one H(8) atom. The C(8)-C(13) bond length is 1.40 Å. The C(8)-H(8) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(14), one C(3), and one H(9) atom. The C(9)-C(14) bond length is 1.40 Å. The C(9)-H(9) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(15), one C(4), and one H(10) atom. The C(10)-C(15) bond length is 1.40 Å. The C(10)-H(10) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(16), one C(5), and one H(11) atom. The C(11)-C(16) bond length is 1.40 Å. The C(11)-H(11) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(15), one C(6), and one H(12) atom. The C(12)-C(15) bond length is 1.40 Å. The C(12)-H(12) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(17), one C(7), and one C(8) atom. The C(13)-C(17) bond length is 1.47 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(18) and two equivalent C(9) atoms. The C(14)-C(18) bond length is 1.48 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(19) atom. The C(15)-C(19) bond length is 1.48 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(20) and two equivalent C(11) atoms. The C(16)-C(20) bond length is 1.47 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(13), one N(11), and one N(12) atom. The C(17)-N(11) bond length is 1.34 Å. The C(17)-N(12) bond length is 1.35 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(14) and two equivalent N(12) atoms. Both C(18)-N(12) bond lengths are 1.34 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(15), one N(13), and one N(14) atom. The C(19)-N(13) bond length is 1.34 Å. The C(19)-N(14) bond length is 1.35 Å. In the twentieth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(16) and two equivalent N(13) atoms. Both C(20)-N(13) bond lengths are 1.35 Å. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one Au(1) and one N(5) atom. The C(21)-N(5) bond length is 1.17 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one Au(2) and one N(6) atom. The C(22)-N(6) bond length is 1.17 Å. In the twenty-third C site, C(23) is bonded in a distorted single-bond geometry to one Au(3) and one N(7) atom. The C(23)-N(7) bond length is 1.17 Å. In the twenty-fourth C site, C(24) is bonded in a distorted single-bond geometry to one Au(2) and one N(8) atom. The C(24)-N(8) bond length is 1.17 Å. In the twenty-fifth C site, C(25) is bonded in a distorted single-bond geometry to one Au(1) and one N(9) atom. The C(25)-N(9) bond length is 1.17 Å. In the twenty-sixth C site, C(26) is bonded in a distorted single-bond geometry to one Au(3) and one N(10) atom. The C(26)-N(10) bond length is 1.17 Å. There are fourteen 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(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent C(3) atoms. In the third N site, N(3) is bonded in a trigonal planar geometry to one Fe(1), one C(4), and one C(6) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent C(5) atoms. In the fifth N site, N(5) is bonded in a linear geometry to one Fe(1) and one C(21) atom. In the sixth N site, N(6) is bonded in a linear geometry to one Fe(1) and one C(22) atom. In the seventh N site, N(7) is bonded in a linear geometry to one Fe(2) and one C(23) atom. In the eighth N site, N(8) is bonded in a linear geometry to one Fe(1) and one C(24) atom. In the ninth N site, N(9) is bonded in a linear geometry to one Fe(2) and one C(25) atom. In the tenth N site, N(10) is bonded in a linear geometry to one Fe(1) and one C(26) atom. In the eleventh N site, N(11) is bonded in a bent 120 degrees geometry to two equivalent C(17) atoms. In the twelfth N site, N(12) is bonded in a bent 120 degrees geometry to one C(17) and one C(18) atom. In the thirteenth N site, N(13) is bonded in a bent 120 degrees geometry to one C(19) and one C(20) atom. In the fourteenth N site, N(14) is bonded in a bent 120 degrees geometry to two equivalent C(19) atoms. There are eleven 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(2,5) 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) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(8) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(12) atom. Linkers: 1 n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1. Metal clusters: 3 [Fe] ,6 [Au]. The MOF has largest included sphere 4.15 A, density 2.20 g/cm3, surface area 2600.78 m2/g, accessible volume 0.22 cm3/g