Information card for entry 2011673

Structure parameters

• Chemical name: n-hexylammonium dihydrogenarsenate
• Formula: C6 H18 As N O4
• Calculated formula: C6 H18 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: 9.3105 ± 0.0007 Å
• b: 29.929 ± 0.002 Å
• c: 7.453 ± 0.006 Å
• α: 90°
• β: 90.64 ± 0.07°
• γ: 90°
• Cell volume: 2076.7 ± 1.7 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: 0.0969
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections: 1.89
• Goodness-of-fit parameter for significantly intense reflections: 2.41
• Goodness-of-fit parameter for all reflections included in the refinement: 1.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes