Information card for entry 7013845

Structure parameters

• Common name: K[VO(O2)Hheida] dihydrate
• Chemical name: Potassium (N-(2-hydroxyethyl)iminodiacetato)-peroxo-oxo-vanadium(V) dihydrate
• Formula: C6 H13 K N O10 V
• Calculated formula: C6 H13 K N O10 V
• SMILES: [V]1234(OC(=O)C[N]3(CC(=O)O1)CC[OH]4)(OO2)=O.O.O.[K+]
• Title of publication: Molecular and supramolecular features of oxo-peroxovanadium complexes containing O3N, O2N2 and ON3 donor sets.
• Authors of publication: Casny, Marian; Rehder, Dieter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 839 - 846
• a: 24.2665 ± 0.0017 Å
• b: 6.8788 ± 0.0008 Å
• c: 14.9452 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2494.7 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No