Information card for entry 2235342

Structure parameters

• Chemical name: Diaquabis(<i>L</i>-lactato)magnesium
• Formula: C6 H14 Mg O8
• Calculated formula: C6 H14 Mg O8
• SMILES: [Mg]12(OC(=O)[C@@H]([OH]1)C)(OC(=O)[C@@H]([OH]2)C)([OH2])[OH2]
• Title of publication: Diaquabis(<small>L</small>-lactato)magnesium
• Authors of publication: Zhu, Hong-lin; Jin, Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m978
• a: 6.0525 ± 0.0012 Å
• b: 11.919 ± 0.002 Å
• c: 14.526 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1047.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes