Information card for entry 2016841

Structure parameters

• Common name: bis(β-alaninium) pentafluoridooxidoniobate(V)dihydrate
• Chemical name: bis(β-alaninium) pentafluoridooxidoniobate(V) dihydrate
• Formula: C6 H20 F5 N2 Nb O7
• Calculated formula: C6 H20 F5 N2 Nb O7
• Title of publication: Disordering of the [NbOF~5~]^2{-^} complex anions in bis(glycinium) pentafluoridooxidoniobate(V) and bis(β-alaninium) pentafluoridooxidoniobate(V) dihydrate
• Authors of publication: Gerasimenko, A. V.; Pushilin, M. A.; Davidovich, R. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m358 - m361
• a: 6.9552 ± 0.0008 Å
• b: 7.2092 ± 0.0008 Å
• c: 8.0205 ± 0.0009 Å
• α: 74.609 ± 0.002°
• β: 86.223 ± 0.002°
• γ: 74.016 ± 0.002°
• Cell volume: 372.74 ± 0.07 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes