Information card for entry 7002603

Structure parameters

• Formula: C H3 Fe O7 P
• Calculated formula: C H3 Fe O7 P
• Title of publication: Polymorphism and variable structural dimensionality in the iron(III) phosphate oxalate system: a new polymorph of 3D [Fe2(HPO4)2(C2O4)(H2O)2]·2H2O and the layered material [Fe2(HPO4)2(C2O4)(H2O)2]
• Authors of publication: Lethbridge, Zoe A. D.; Clarkson, Guy J.; Turner, Scott S.; Walton, Richard I.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 42
• Pages of publication: 9176
• a: 5.0365 ± 0.0003 Å
• b: 7.64 ± 0.0005 Å
• c: 7.6678 ± 0.0006 Å
• α: 97.292 ± 0.006°
• β: 101.847 ± 0.006°
• γ: 106.38 ± 0.006°
• Cell volume: 271.62 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No