Information card for entry 2013396

Structure parameters

• Common name: sodium hexafluorophosphate monohydrate
• Chemical name: sodium hexafluorophospate monohydrate
• Formula: F6 H2 Na O P
• Calculated formula: F6 H2 Na O P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Na+].O
• Title of publication: The correct space group of NaPF~6~·H~2~O
• Authors of publication: Ilia A. Guzei; Joseph M. Langenhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: i95 - i96
• a: 10.559 ± 0.004 Å
• b: 7.898 ± 0.003 Å
• c: 6.057 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 505.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes