Information card for entry 2214580

Structure parameters

• Common name: bis(DL-valinium) pentafluorooxoniobate(V)
• Chemical name: (R)-1-carboxy-2-methylpropan-1-aminium (S)-1-carboxy-2-methylpropan-1-aminium pentafluoridooxidoniobate(V)
• Formula: C10 H24 F5 N2 Nb O5
• Calculated formula: C10 H24 F5 N2 Nb O5
• SMILES: [Nb](F)(F)(F)(F)(F)=O.OC(=O)C([NH3+])C(C)C.OC(=O)C([NH3+])C(C)C
• Title of publication: Bis(<small>DL</small>-valinium) pentafluoridooxidoniobate(V)
• Authors of publication: Pushilin, M. A.; Gerasimenko, A. V.; Davidovich, R. L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2086 - m2086
• a: 9.8018 ± 0.0004 Å
• b: 19.4213 ± 0.0008 Å
• c: 10.1979 ± 0.0004 Å
• α: 90°
• β: 116.19 ± 0.001°
• γ: 90°
• Cell volume: 1742.01 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0373
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes