Information card for entry 2011253

Structure parameters

• Chemical name: n-butylammonium dihydrogenphosphate
• Formula: C3 H12 N O4 P
• Calculated formula: C3 H12 N O4 P
• Title of publication: Ferroelastic <i>n</i>-propylammonium 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: 8
• Pages of publication: e359 - e360
• a: 9.131 ± 0.002 Å
• b: 22.09 ± 0.005 Å
• c: 7.175 ± 0.003 Å
• α: 90°
• β: 90.67 ± 0.03°
• γ: 90°
• Cell volume: 1447.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.082
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections: 1.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes