Information card for entry 2312025

Structure parameters

• Chemical name: sodium and rubidium tris(oxalate)ferrate(III)
• Formula: C12 Fe2 Na O24 Rb5
• Calculated formula: C12 Fe2 Na O24 Rb5
• SMILES: C1(=O)C(=O)O[Fe]23(O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.[Na+].[Rb+].[Rb+].[Rb+].[Rb+].C1(=O)C(=O)O[Fe]23(O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.[Rb+]
• Title of publication: Spontaneous enanti-omorphism in poly-phased alkaline salts of tris-(oxalato)ferrate(III): crystal structure of cubic NaRb₅[Fe(C₂O₄)₃]₂.
• Authors of publication: Piro, O. E.; Echeverría, G A; Baran, E. J.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 7
• Pages of publication: 905 - 909
• a: 13.7995 ± 0.0003 Å
• b: 13.7995 ± 0.0003 Å
• c: 13.7995 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2627.79 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 213
• Hermann-Mauguin space group symbol: P 41 3 2
• Hall space group symbol: P 4bd 2ab 3
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes