Information card for entry 2208441

Structure parameters

• Chemical name: triaqua(phenylselenonato)lithium(I)
• Formula: C6 H11 Li O6 Se
• Calculated formula: C6 H11 Li O6 Se
• SMILES: [Li](O[Se](=O)(=O)c1ccccc1)([OH2])([OH2])[OH2]
• Title of publication: Layered triaqua(phenylselenonato)lithium(I)
• Authors of publication: Aline Machado; Robert A. Burrow
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m411 - m413
• a: 11.341 ± 0.0011 Å
• b: 7.618 ± 0.0008 Å
• c: 12.3021 ± 0.0013 Å
• α: 90°
• β: 91.72 ± 0.006°
• γ: 90°
• Cell volume: 1062.37 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0901
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No