FeCu2H8(C3N2)4 crystallizes in the triclinic P1 space group. Fe(1) is bonded in a distorted octahedral geometry to one N(1), one N(2), one N(3), one N(4), one N(5), and one N(6) atom. The Fe(1)-N(1) bond length is 1.91 Å. The Fe(1)-N(2) bond length is 1.90 Å. The Fe(1)-N(3) bond length is 1.90 Å. The Fe(1)-N(4) bond length is 1.90 Å. The Fe(1)-N(5) bond length is 2.00 Å. The Fe(1)-N(6) bond length is 2.48 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one C(1), one C(3), one C(4), and one N(7) atom to form distorted edge-sharing CuC3N tetrahedra. The Cu(1)-C(1) bond length is 1.89 Å. The Cu(1)-C(3) bond length is 1.92 Å. The Cu(1)-C(4) bond length is 2.23 Å. The Cu(1)-N(7) bond length is 2.05 Å. In the second Cu site, Cu(2) is bonded to one C(2), one C(3), one C(4), and one N(8) atom to form distorted edge-sharing CuC3N tetrahedra. The Cu(2)-C(2) bond length is 1.88 Å. The Cu(2)-C(3) bond length is 2.27 Å. The Cu(2)-C(4) bond length is 1.93 Å. The Cu(2)-N(8) bond length is 2.04 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one N(1) atom. The C(1)-N(1) bond length is 1.18 Å. In the second C site, C(2) is bonded in a distorted linear geometry to one Cu(2) and one N(2) atom. The C(2)-N(2) bond length is 1.18 Å. In the third C site, C(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one N(3) atom. The C(3)-N(3) bond length is 1.18 Å. In the fourth C site, C(4) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one N(4) atom. The C(4)-N(4) bond length is 1.18 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(7), one N(5), and one H(1) atom. The C(5)-C(7) bond length is 1.39 Å. The C(5)-N(5) bond length is 1.36 Å. The C(5)-H(1) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(8), one N(6), and one H(2) atom. The C(6)-C(8) bond length is 1.39 Å. The C(6)-N(6) bond length is 1.34 Å. The C(6)-H(2) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(5), one C(9), and one H(3) atom. The C(7)-C(9) bond length is 1.39 Å. The C(7)-H(3) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(10), one C(6), and one H(4) atom. The C(8)-C(10) bond length is 1.39 Å. The C(8)-H(4) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(7), one N(7), and one H(5) atom. The C(9)-N(7) bond length is 1.35 Å. The C(9)-H(5) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(8), one N(8), and one H(6) atom. The C(10)-N(8) bond length is 1.35 Å. The C(10)-H(6) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one N(5), one N(7), and one H(7) atom. The C(11)-N(5) bond length is 1.35 Å. The C(11)-N(7) bond length is 1.34 Å. The C(11)-H(7) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one N(6), one N(8), and one H(8) atom. The C(12)-N(6) bond length is 1.33 Å. The C(12)-N(8) bond length is 1.34 Å. The C(12)-H(8) bond length is 1.09 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Fe(1) and one C(1) atom. In the second N site, N(2) is bonded in a linear geometry to one Fe(1) and one C(2) atom. In the third N site, N(3) is bonded in a linear geometry to one Fe(1) and one C(3) atom. In the fourth N site, N(4) is bonded in a linear geometry to one Fe(1) and one C(4) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Fe(1), one C(11), and one C(5) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Fe(1), one C(12), and one C(6) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Cu(1), one C(11), and one C(9) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Cu(2), one C(10), and one C(12) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. Linkers: 2 c1cncnc1. Metal clusters: 1 [Fe] ,2 [Cu]. The MOF has largest included sphere 1.58 A, density 2.18 g/cm3, surface area 3385.53 m2/g, accessible volume 0.07 cm3/g