Information card for entry 4319966

Structure parameters

• Formula: C8 H14 K4 O20 V2
• Calculated formula: C8 H14 K4 O20 V2
• SMILES: [V]1234(OC(=O)[C@H](CC(=O)O3)[O]1[V]135(OC([C@@H](CC(O3)=O)[O]21)=O)(=O)OO5)(=O)OO4.[K+].O.O.[K+].[K+].[K+].O.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: 8.38 ± 0.005 Å
• b: 9.252 ± 0.005 Å
• c: 13.714 ± 0.008 Å
• α: 90°
• β: 93.6 ± 0.02°
• γ: 90°
• Cell volume: 1061.2 ± 1.1 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: 0.0318
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.0753
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No