Information card for entry 7002602

Structure parameters

• Formula: C H5 Fe O8 P
• Calculated formula: C H5 Fe O8 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: 8.1041 ± 0.0003 Å
• b: 6.6254 ± 0.0002 Å
• c: 12.0431 ± 0.0004 Å
• α: 90°
• β: 108.423 ± 0.002°
• γ: 90°
• Cell volume: 613.49 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No