Information card for entry 2011041

Structure parameters

• Chemical name: n-butylammonium dihydrogenphosphate
• Formula: C4 H14 N O4 P
• Calculated formula: C4 H14 N O4 P
• Title of publication: Ferroelastic <i>n</i>-butylammonium dihydrogenphosphate
• Authors of publication: Fábry, Jan; Císařová, Ivana; Kroupa, Jan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: e263 - e264
• a: 9.1481 ± 0.0009 Å
• b: 24.877 ± 0.002 Å
• c: 7.225 ± 0.001 Å
• α: 90°
• β: 90.82 ± 0.01°
• γ: 90°
• Cell volume: 1644.1 ± 0.3 ų
• Cell temperature: 292 ± 1 K
• Ambient diffraction temperature: 292 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.459
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections: 2.13
• Goodness-of-fit parameter for significantly intense reflections: 2.39
• Goodness-of-fit parameter for all reflections included in the refinement: 2.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes