Information card for entry 2018520

Structure parameters

• Common name: iron nitrate pentahydrate
• Chemical name: pentaaquanitratoiron dinitrate
• Formula: Fe H10 N3 O14
• Calculated formula: Fe H10 N3 O14
• SMILES: [Fe]([OH2])([OH2])([OH2])([OH2])([OH2])ON(=O)=O.N(=O)(=O)[O-].N(=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: 6.7693 ± 0.0004 Å
• b: 7.0692 ± 0.0004 Å
• c: 11.6734 ± 0.0006 Å
• α: 85.568 ± 0.002°
• β: 80.655 ± 0.001°
• γ: 70.279 ± 0.002°
• Cell volume: 518.72 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes