Information card for entry 7012757

Structure parameters

• Formula: C14 H14 N2 O7 V
• Calculated formula: C14 H14 N2 O7 V
• SMILES: [V]123(OC(=O)C[O]1CC(=O)O2)(=O)[n]1ccccc1c1[n]3cccc1.O
• 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: 15.995 ± 0.005 Å
• b: 10.784 ± 0.005 Å
• c: 19.143 ± 0.005 Å
• α: 90°
• β: 114.01 ± 0.005°
• γ: 90°
• Cell volume: 3016.3 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No