Information card for entry 2011838

Structure parameters

• Chemical name: n-heptylammonium dihydrogenarsenate
• Formula: C7 H20 As N O4
• Calculated formula: C7 H20 As N O4
• Title of publication: Ferroelastic <i>n</i>-heptylammonium dihydrogenarsenate
• Authors of publication: Fábry, Jan; Krupková, Radmila; Císařová, Ivana
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 403 - 405
• a: 9.3261 ± 0.0003 Å
• b: 32.34003 ± 0.00014 Å
• c: 7.5005 ± 0.0003 Å
• α: 90°
• β: 90.595 ± 0.002°
• γ: 90°
• Cell volume: 2262.08 ± 0.12 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: 0.0916
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections: 1.46
• Goodness-of-fit parameter for significantly intense reflections: 1.92
• Goodness-of-fit parameter for all reflections included in the refinement: 1.46
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes