Information card for entry 7013847

Structure parameters

• Chemical name: Ammonium Bis(3-hydroxypicolinato)-oxo-monoperoxovanadate(V) monohydrate
• Formula: C12 H14 N3 O10 V
• Calculated formula: C12 H14 N3 O10 V
• SMILES: [V]123(=O)(OO1)(OC(=O)c1[n]2cccc1O)OC(=O)c1[n]3cccc1O.[NH4+].O
• 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: 7.7286 ± 0.0006 Å
• b: 13.4968 ± 0.001 Å
• c: 16.0536 ± 0.0012 Å
• α: 110.444 ± 0.001°
• β: 95.464 ± 0.001°
• γ: 93.292 ± 0.001°
• Cell volume: 1554.6 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No