Information card for entry 2014305

Structure parameters

• Common name: Iron(III) hypophosphite
• Chemical name: Iron(III) tris[dihydrogenphosphate(I)]
• Formula: Fe H6 O6 P3
• Calculated formula: Fe H6 O6 P3
• SMILES: [Fe]12O=[PH2]O[Fe](O=[PH2]O1)(O=[PH2]O2)(O[PH2]=O)(O[PH2]=O)O[PH2]=O
• Title of publication: Iron(III) dihydrogenphosphate(I)
• Authors of publication: Kuratieva, Natalia V.; Naumov, Dmitry Yu.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: i9 - i10
• a: 11.28 ± 0.0011 Å
• b: 11.28 ± 0.0011 Å
• c: 9.6375 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1061.97 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes