Information card for entry 2238724

Structure parameters

• Chemical name: Bis(<i>L</i>-serinium) oxalate dihydrate
• Formula: C8 H20 N2 O12
• Calculated formula: C8 H20 N2 O12
• SMILES: C(=O)([C@H](CO)[NH3+])O.C(=O)(C(=O)[O-])[O-].C(=O)([C@H](CO)[NH3+])O.O.O
• Title of publication: Bis(<small>L</small>-serinium) oxalate dihydrate: polymorph II
• Authors of publication: Kulik, Marta; Pazio, Aleksandra; Wozniak, Krzysztof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1667 - o1668
• a: 5.1524 ± 0.0002 Å
• b: 11.1467 ± 0.0004 Å
• c: 12.4478 ± 0.0005 Å
• α: 90°
• β: 99.967 ± 0.004°
• γ: 90°
• Cell volume: 704.12 ± 0.05 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No