Information card for entry 2102151

Structure parameters

• Formula: C9 H24 N O4 P
• Calculated formula: C9 H24 N O4 P
• SMILES: P(=O)(O)(O)[O-].[NH3+]CCCCCCCCC
• Title of publication: Ferroelastic structures of <i>n</i>-pentyl-, <i>n</i>- hexyl- and <i>n</i>-nonylammonium dihydrogenphosphate crystals
• Authors of publication: Fábry, Jan; Petrícek, Václav; Kroupa, Jan; Císarová, Ivana
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 906 - 914
• a: 9.138 ± 0.003 Å
• b: 36.984 ± 0.009 Å
• c: 7.383 ± 0.002 Å
• α: 90°
• β: 90.88 ± 0.02°
• γ: 90°
• Cell volume: 2494.9 ± 1.2 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: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections: 1.91
• Goodness-of-fit parameter for significantly intense reflections: 2.31
• Goodness-of-fit parameter for all reflections included in the refinement: 1.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No