Information card for entry 2217413

Structure parameters

• Chemical name: Disodium tetraaquabis(sulfonato)iron(II)
• Formula: Fe H8 Na2 O12 S2
• Calculated formula: Fe H8 Na2 O12 S2
• SMILES: [Fe](OS(=O)(=O)[O-])([OH2])([OH2])(OS(=O)(=O)[O-])([OH2])[OH2].[Na+].[Na+]
• Title of publication: Disodium tetraaquabis(sulfato)iron(II)
• Authors of publication: Hudák, Martin; Díaz, Jesús García; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: i10 - i10
• a: 5.551 ± 0.001 Å
• b: 8.252 ± 0.001 Å
• c: 11.162 ± 0.001 Å
• α: 90°
• β: 100.2 ± 0.01°
• γ: 90°
• Cell volume: 503.22 ± 0.12 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes