Information card for entry 2101827

Structure parameters

• Formula: C7 H20 N O4 P
• Calculated formula: C7 H20 N O4 P
• Title of publication: Revision of Ferroelastic Structures of <i>n</i>-Heptyl- and <i>n</i>-Octylammonium Dihydrogen Phosphate Crystals
• Authors of publication: Fabry, Jan; Petricek, Vaclav; Kroupa, Jan; Cisarova, Ivana
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 272 - 279
• a: 9.155 ± 0.002 Å
• b: 32.074 ± 0.003 Å
• c: 7.35 ± 0.001 Å
• α: 90°
• β: 90.9 ± 0.01°
• γ: 90°
• Cell volume: 2158 ± 0.6 ų
• Cell temperature: 290 ± 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 significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0594
• Goodness-of-fit parameter for all reflections: 1.53
• Goodness-of-fit parameter for significantly intense reflections: 1.66
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No