Information card for entry 2018519

Structure parameters

• Common name: iron nitrate hexahydrate
• Chemical name: hexaaquairon(III) trinitrate
• Formula: Fe H12 N3 O15
• Calculated formula: Fe H12 N3 O15
• SMILES: [Fe]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: New iron(III) nitrate hydrates: Fe(NO~3~)~3~·<i>x</i>H~2~O with <i>x</i> = 4, 5 and 6
• Authors of publication: Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: i29 - i33
• a: 13.7962 ± 0.0002 Å
• b: 13.7962 ± 0.0002 Å
• c: 13.7962 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2625.9 ± 0.07 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes