Information card for entry 2018521

Structure parameters

• Common name: iron nitrate tetrahydrate
• Chemical name: triaquadinitratoiron(III) nitrate monohydrate
• Formula: Fe H8 N3 O13
• Calculated formula: Fe H8 N3 O13
• SMILES: [Fe]12([OH2])([OH2])([OH2])([O]=N(=O)O1)[O]=N(O2)=O.N(=O)(=O)[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: 7.0696 ± 0.0007 Å
• b: 15.1917 ± 0.0016 Å
• c: 9.4264 ± 0.0007 Å
• α: 90°
• β: 96.508 ± 0.003°
• γ: 90°
• Cell volume: 1005.86 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.028
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes