Information card for entry 4319968

Structure parameters

• Formula: C8 H12 K2 O18 V2
• Calculated formula: C8 H12 K2 O18 V2
• SMILES: [K+].O.[V]123(=O)(OO1)OC(=O)[C@@H](CC(=O)O)[O]2[V]12(OC(=O)[C@H](CC(=O)O)[O]31)(=O)OO2.[K+].O
• Title of publication: pH-Dependent Investigations of Vanadium(V)-Peroxo-Malate Complexes from Aqueous Solutions. In Search of Biologically Relevant Vanadium(V)-Peroxo Species
• Authors of publication: M. Kaliva; T. Giannadaki; A. Salifoglou; C. P. Raptopoulou; A. Terzis; V. Tangoulis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3711 - 3718
• a: 9.123 ± 0.008 Å
• b: 9.439 ± 0.008 Å
• c: 10.64 ± 0.009 Å
• α: 90°
• β: 104.58 ± 0.03°
• γ: 90°
• Cell volume: 886.7 ± 1.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.0752
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No