Information card for entry 2011674

Structure parameters

• Chemical name: n-octylammonium dihydrogenarsenate
• Formula: C8 H22 As N O4
• Calculated formula: C8 H22 As N O4
• Title of publication: Phase transitions in <i>n</i>-alkylammonium dihydrogenphosphates and -arsenates and ferroelastic <i>n</i>-hexyl- and <i>n</i>-octylammonium dihydrogenarsenate
• Authors of publication: Fábry, Jan; Kroupa, Jan; Císařová, Ivana
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 22 - 25
• a: 9.307 ± 0.001 Å
• b: 34.936 ± 0.004 Å
• c: 7.488 ± 0.001 Å
• α: 90°
• β: 90.58 ± 0.01°
• γ: 90°
• Cell volume: 2434.6 ± 0.5 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: 0.0827
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections: 3.19
• Goodness-of-fit parameter for significantly intense reflections: 4
• Goodness-of-fit parameter for all reflections included in the refinement: 3.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes