(C3H4N2)2FeAl3P4O16 crystallizes in the triclinic P-1 space group. Fe(1) is bonded to one N(1), one N(3), one O(1), one O(14), one O(2), and one O(3) atom to form FeN2O4 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The Fe(1)-N(1) bond length is 1.95 Å. The Fe(1)-N(3) bond length is 1.95 Å. The Fe(1)-O(1) bond length is 1.90 Å. The Fe(1)-O(14) bond length is 1.96 Å. The Fe(1)-O(2) bond length is 1.94 Å. The Fe(1)-O(3) bond length is 1.98 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(12), one O(4), one O(5), and one O(6) atom to form AlO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Al(1)-O(12) bond length is 1.75 Å. The Al(1)-O(4) bond length is 1.75 Å. The Al(1)-O(5) bond length is 1.76 Å. The Al(1)-O(6) bond length is 1.74 Å. In the second Al site, Al(2) is bonded to one O(11), one O(15), one O(7), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The Al(2)-O(11) bond length is 1.78 Å. The Al(2)-O(15) bond length is 1.73 Å. The Al(2)-O(7) bond length is 1.76 Å. The Al(2)-O(8) bond length is 1.74 Å. In the third Al site, Al(3) is bonded to one O(10), one O(13), one O(16), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Al(3)-O(10) bond length is 1.75 Å. The Al(3)-O(13) bond length is 1.75 Å. The Al(3)-O(16) bond length is 1.74 Å. The Al(3)-O(9) bond length is 1.74 Å. There are six 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(3) atom. The C(1)-C(2) bond length is 1.37 Å. The C(1)-N(1) bond length is 1.38 Å. The C(1)-H(3) 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(1), one N(2), and one H(4) atom. The C(2)-N(2) bond length is 1.38 Å. The C(2)-H(4) bond length is 1.08 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(5) atom. The C(3)-N(1) bond length is 1.34 Å. The C(3)-N(2) bond length is 1.35 Å. The C(3)-H(5) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(6) atom. The C(4)-N(3) bond length is 1.34 Å. The C(4)-N(4) bond length is 1.35 Å. The C(4)-H(6) bond length is 1.08 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(6), one N(4), and one H(7) atom. The C(5)-C(6) bond length is 1.37 Å. The C(5)-N(4) bond length is 1.38 Å. The C(5)-H(7) bond length is 1.08 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(3), and one H(8) atom. The C(6)-N(3) bond length is 1.39 Å. The C(6)-H(8) bond length is 1.08 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)N2O4 octahedra,  a cornercorner with one Al(2)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 10°. The P(1)-O(14) bond length is 1.50 Å. The P(1)-O(5) bond length is 1.55 Å. The P(1)-O(6) bond length is 1.56 Å. The P(1)-O(7) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(1), one O(15), one O(16), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)N2O4 octahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, and  a cornercorner with one Al(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. The P(2)-O(1) bond length is 1.53 Å. The P(2)-O(15) bond length is 1.54 Å. The P(2)-O(16) bond length is 1.54 Å. The P(2)-O(4) bond length is 1.55 Å. In the third P site, P(3) is bonded to one O(10), one O(3), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)N2O4 octahedra,  a cornercorner with one Al(2)O4 tetrahedra, and corners with two equivalent Al(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. The P(3)-O(10) bond length is 1.55 Å. The P(3)-O(3) bond length is 1.54 Å. The P(3)-O(8) bond length is 1.54 Å. The P(3)-O(9) bond length is 1.54 Å. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(13), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)N2O4 octahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, and  a cornercorner with one Al(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. The P(4)-O(11) bond length is 1.56 Å. The P(4)-O(12) bond length is 1.55 Å. The P(4)-O(13) bond length is 1.55 Å. The P(4)-O(2) bond length is 1.52 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(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(2), one C(3), and one H(1) atom. The N(2)-H(1) bond length is 1.03 Å. 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 C(4), one C(5), and one H(2) atom. The N(4)-H(2) bond length is 1.02 Å. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(5) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(6) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Al(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Al(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Al(3) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Al(3) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Al(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Al(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Al(3) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one Fe(1) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Al(2) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Al(3) and one P(2) atom. Linkers: 8 [O]P([O])([O])=O. Metal clusters: 6 [Al] ,2 [Fe]. The MOF has largest included sphere 2.33 A, density 2.24 g/cm3, surface area 2734.87 m2/g, accessible volume 0.09 cm3/g