Information card for entry 2235278

Structure parameters

• Chemical name: poly[[aqualithium(I)]-μ-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5λ^4^- borataspiro[4.4]nonane-2,7-dione]
• Formula: C8 H14 B Li O7
• Calculated formula: C8 H14 B Li O7
• SMILES: C1(C)(O[B]2(OC1=O)OC(C(=O)O2)(C)C)C.[Li+].O
• Title of publication: Lithium bis(2-methyllactato)borate monohydrate
• Authors of publication: Allen, Joshua L.; Paillard, Elie; Boyle, Paul D.; Henderson, Wesley A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m749
• a: 12.7034 ± 0.0004 Å
• b: 11.3939 ± 0.0004 Å
• c: 15.8258 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2290.65 ± 0.13 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes