Information card for entry 2200166

Structure parameters

• Chemical name: n-pentylammonium dihydrogenarsenate
• Formula: C5 H16 As N O4
• Calculated formula: C5 H16 As N O4
• SMILES: [As](O)(=O)([O-])O.[NH3+]CCCCC
• Title of publication: Ferroelastic <i>n</i>-pentylammonium dihydrogenarsenate
• Authors of publication: Fábry, Jan; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: o349 - o352
• a: 9.338 ± 0.0003 Å
• b: 27.395 ± 0.0008 Å
• c: 7.457 ± 0.0008 Å
• α: 90°
• β: 90.568 ± 0.001°
• γ: 90°
• Cell volume: 1907.5 ± 0.2 ų
• Cell temperature: 290 ± 1 K
• Ambient diffraction temperature: 290 ± 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: 0.0703
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections: 2.02
• Goodness-of-fit parameter for significantly intense reflections: 1.63
• Goodness-of-fit parameter for all reflections included in the refinement: 2.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes