Information card for entry 7012756

Structure parameters

• Formula: C4 H8 O8 V
• Calculated formula: C4 H8 O8 V
• SMILES: O1[V]2(=O)([O](CC1=O)CC(=O)O2)([OH2])[OH2]
• Title of publication: Synthesis, molecular structure and properties of oxo-vanadium(iv) complexes containing the oxydiacetate ligand
• Authors of publication: del Río, Diego; Galindo, Agustín; Vicente, Ramón; Mealli, Carlo; Ienco, Andrea; Masi, Dante
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1813
• a: 8.919 ± 0.003 Å
• b: 10.889 ± 0.002 Å
• c: 8.593 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 834.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No