(Fe2P2H5(CO6)2)2H2O2 crystallizes in the monoclinic P2_1 space group. The structure consists of two water molecules inside a Fe2P2H5(CO6)2 framework. In the Fe2P2H5(CO6)2 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a square pyramidal geometry to one O(1), one O(11), one O(5), one O(7), and one O(9) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one P(2), one O(10), one O(2), one O(6), and one O(8) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(6) and one O(7) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(9) atom. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one O(1), one O(10), and one O(12) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a distorted bent 150 degrees geometry to one O(12) and one O(3) atom. In the fourth H site, H(5) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one O(3) atom. There are twelve 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(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one H(2), one H(3), and one H(6) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one H(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one C(1), and one H(5) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Fe(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Fe(2), one P(2), and one H(1) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Fe(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one P(2) and one H(3) atom.
(Fe2P2H5(CO6)2)2H2O2 crystallizes in the monoclinic P2_1 space group. The structure consists of two water molecules inside a Fe2P2H5(CO6)2 framework. In the Fe2P2H5(CO6)2 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a square pyramidal geometry to one O(1), one O(11), one O(5), one O(7), and one O(9) atom. The Fe(1)-O(1) bond length is 1.99 Å. The Fe(1)-O(11) bond length is 2.21 Å. The Fe(1)-O(5) bond length is 2.06 Å. The Fe(1)-O(7) bond length is 2.13 Å. The Fe(1)-O(9) bond length is 2.15 Å. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one P(2), one O(10), one O(2), one O(6), and one O(8) atom. The Fe(2)-P(2) bond length is 2.55 Å. The Fe(2)-O(10) bond length is 2.17 Å. The Fe(2)-O(2) bond length is 2.11 Å. The Fe(2)-O(6) bond length is 2.09 Å. The Fe(2)-O(8) bond length is 2.12 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(6) and one O(7) atom. The C(1)-O(6) bond length is 1.26 Å. The C(1)-O(7) bond length is 1.27 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(8) atom. The C(2)-O(5) bond length is 1.27 Å. The C(2)-O(8) bond length is 1.27 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(9) atom. The P(1)-O(11) bond length is 1.49 Å. The P(1)-O(2) bond length is 1.48 Å. The P(1)-O(9) bond length is 1.50 Å. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one O(1), one O(10), and one O(12) atom. The P(2)-O(1) bond length is 1.56 Å. The P(2)-O(10) bond length is 1.69 Å. The P(2)-O(12) bond length is 1.60 Å. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(10) atom. The H(1)-O(10) bond length is 1.02 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. The H(2)-O(3) bond length is 0.98 Å. In the third H site, H(3) is bonded in a distorted bent 150 degrees geometry to one O(12) and one O(3) atom. The H(3)-O(12) bond length is 1.02 Å. The H(3)-O(3) bond length is 1.59 Å. In the fourth H site, H(5) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. The H(5)-O(4) bond length is 1.01 Å. The H(5)-O(7) bond length is 1.66 Å. In the fifth H site, H(6) is bonded in a single-bond geometry to one O(3) atom. The H(6)-O(3) bond length is 0.98 Å. There are twelve 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(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one H(2), one H(3), and one H(6) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one H(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one C(1), and one H(5) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Fe(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Fe(2), one P(2), and one H(1) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Fe(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one P(2) and one H(3) atom.