Information card for entry 2206700

Structure parameters

• Common name: Lithium hydrogen iodofumarate monohydrate
• Chemical name: poly[[aqualithium(I)]-μ~3~-iodofumarato]
• Formula: C4 H4 I Li O5
• Calculated formula: C4 H4 I Li O5
• SMILES: IC(=C\C(=O)O)/C(=O)[O-].O.[Li+]
• Title of publication: Lithium hydrogen iodofumarate monohydrate
• Authors of publication: Billetter, Heinrich; Pantenburg, Ingo; Ruschewitz, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1857 - m1859
• a: 7.5649 ± 0.0015 Å
• b: 6.7833 ± 0.0008 Å
• c: 15.502 ± 0.003 Å
• α: 90°
• β: 101.98 ± 0.02°
• γ: 90°
• Cell volume: 778.2 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes