Information card for entry 2023067

Structure parameters

• Chemical name: Poly[aqua[μ-3-(3,4-dihydroxyphenyl)propenoato]lithium]
• Formula: C9 H9 Li O5
• Calculated formula: C9 H9 Li O5
• Title of publication: Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate.
• Authors of publication: Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 4
• Pages of publication: 401 - 407
• a: 8.3083 ± 0.0012 Å
• b: 4.8511 ± 0.0005 Å
• c: 22.587 ± 0.004 Å
• α: 90°
• β: 98.572 ± 0.018°
• γ: 90°
• Cell volume: 900.2 ± 0.2 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 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: 0.0491
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No