FeC2PN2H9O4F crystallizes in the triclinic P-1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one N(1), one O(1), one O(6), one O(7), one F(1), and one F(2) atom to form FeNO3F2 octahedra that share corners with two equivalent Fe(2)NO3F2 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-43°. The Fe(1)-N(1) bond length is 2.20 Å. The Fe(1)-O(1) bond length is 1.97 Å. The Fe(1)-O(6) bond length is 1.94 Å. The Fe(1)-O(7) bond length is 2.03 Å. The Fe(1)-F(1) bond length is 2.07 Å. The Fe(1)-F(2) bond length is 2.06 Å. In the second Fe site, Fe(2) is bonded to one N(2), one O(2), one O(5), one O(8), one F(1), and one F(2) atom to form FeNO3F2 octahedra that share corners with two equivalent Fe(1)NO3F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-43°. The Fe(2)-N(2) bond length is 2.00 Å. The Fe(2)-O(2) bond length is 1.88 Å. The Fe(2)-O(5) bond length is 1.89 Å. The Fe(2)-O(8) bond length is 1.96 Å. The Fe(2)-F(1) bond length is 1.91 Å. The Fe(2)-F(2) bond length is 1.92 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one H(3), and one H(5) atom. The C(1)-N(3) bond length is 1.48 Å. The C(1)-H(3) bond length is 1.10 Å. The C(1)-H(5) bond length is 1.10 Å. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one N(4), one H(4), and one H(6) atom. The C(2)-N(4) bond length is 1.49 Å. The C(2)-H(4) bond length is 1.10 Å. The C(2)-H(6) bond length is 1.10 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(7), and one H(9) atom. The C(3)-N(1) bond length is 1.46 Å. The C(3)-H(7) bond length is 1.10 Å. The C(3)-H(9) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(10), and one H(8) atom. The C(4)-N(2) bond length is 1.47 Å. The C(4)-H(10) bond length is 1.10 Å. The C(4)-H(8) bond length is 1.10 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)NO3F2 octahedra and corners with two equivalent Fe(1)NO3F2 octahedra. The corner-sharing octahedral tilt angles range from 38-43°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.55 Å. The P(1)-O(7) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)NO3F2 octahedra and corners with two equivalent Fe(2)NO3F2 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. The P(2)-O(2) bond length is 1.56 Å. The P(2)-O(4) bond length is 1.55 Å. The P(2)-O(6) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.56 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Fe(1), one C(3), one H(11), and one H(13) atom. The N(1)-H(11) bond length is 1.03 Å. The N(1)-H(13) bond length is 1.03 Å. In the second N site, N(2) is bonded in a distorted tetrahedral geometry to one Fe(2), one C(4), one H(12), and one H(14) atom. The N(2)-H(12) bond length is 1.03 Å. The N(2)-H(14) bond length is 1.03 Å. In the third N site, N(3) is bonded in a tetrahedral geometry to one C(1), one H(15), one H(17), and one H(2) atom. The N(3)-H(15) bond length is 1.06 Å. The N(3)-H(17) bond length is 1.06 Å. The N(3)-H(2) bond length is 1.04 Å. In the fourth N site, N(4) is bonded in a tetrahedral geometry to one C(2), one H(1), one H(16), and one H(18) atom. The N(4)-H(1) bond length is 1.05 Å. The N(4)-H(16) bond length is 1.06 Å. The N(4)-H(18) bond length is 1.06 Å. There are eighteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(3) 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(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(3) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(4) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one N(1) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one N(2) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one N(1) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one N(2) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one N(3) and one O(3) atom. The H(15)-O(3) bond length is 1.70 Å. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one N(4) and one O(4) atom. The H(16)-O(4) bond length is 1.76 Å. In the seventeenth H site, H(17) is bonded in a distorted single-bond geometry to one N(3) and one O(4) atom. The H(17)-O(4) bond length is 1.67 Å. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one N(4) and one O(3) atom. The H(18)-O(3) bond length is 1.73 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one P(1), one H(15), and one H(18) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one P(2), one H(16), and one H(17) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. Linkers: 4 [O]P([O])([O])=O. Metal clusters: 4 [Fe]. The MOF has largest included sphere 1.55 A, density 2.36 g/cm3, surface area 2663.71 m2/g, accessible volume 0.05 cm3/g