Information card for entry 2011234

Structure parameters

• Common name: tetraethylammonium hydroxide pentahydrate
• Chemical name: tetraethylammonium hydroxide-water (1/5)
• Formula: C8 H31 N O6
• Calculated formula: C8 H31 N O6
• SMILES: O.O.[OH-].O.O.O.[N+](CC)(CC)(CC)CC
• Title of publication: NEt~4~OH·5H~2~O containing hydroxide‒water layers
• Authors of publication: Wiebcke, Michael; Felsche, Jürgen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 1050 - 1052
• a: 7.306 ± 0.002 Å
• b: 7.759 ± 0.002 Å
• c: 13.141 ± 0.003 Å
• α: 89.28 ± 0.02°
• β: 79.34 ± 0.02°
• γ: 75.63 ± 0.02°
• Cell volume: 708.7 ± 0.3 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes