Information card for entry 1550970

Structure parameters

• Chemical name: Poly[[μ~4~-bis(2-methyllactato)borato]sodium]
• Formula: C8 H12 B Na O6
• Calculated formula: C8 H12 B Na O6
• SMILES: [B]12(OC(=O)C(C)(C)O1)OC(C(=O)O2)(C)C.[Na+]
• Title of publication: Sodium bis(2-methyllactato)borate
• Authors of publication: Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 5
• Pages of publication: x190593
• a: 10.1398 ± 0.0005 Å
• b: 10.8359 ± 0.0006 Å
• c: 11.2588 ± 0.0005 Å
• α: 90°
• β: 115.687 ± 0.003°
• γ: 90°
• Cell volume: 1114.8 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes