Information card for entry 2103785

Structure parameters

• Chemical name: catena-(mu!2$-Aqua)bis(diaqua-(mu!3$-beta-N-oxalyl-L-alpha,beta-diaminopropionic acid)-sodium) trihydrate
• Formula: C5 H15 N2 Na O9
• Calculated formula: C5 H10 N2 Na O9
• SMILES: O.O.O=C([O-])[C@H](CNC(=O)C(=O)[O-])[NH3+].[Na+].O.O
• Title of publication: 22 Space-group changes
• Authors of publication: Clemente, Dore Augusto; Marzotto, Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 43 - 50
• a: 9.453 ± 0.002 Å
• b: 17.812 ± 0.002 Å
• c: 13.475 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2268.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0098
• Residual factor for significantly intense reflections: 0.0093
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 0.246
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No