Information card for entry 2201468

Structure parameters

• Formula: C6 H17 Cl N O0.5
• Calculated formula: C6 H17 Cl N O0.5
• Title of publication: Diisopropylammonium chloride hemihydrate, a combined single-crystal and powder diffraction study
• Authors of publication: Guido J. Reiß; Brigitte Koppelhuber-Bitschnau
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1309 - o1311
• a: 10.289 ± 0.002 Å
• b: 15.723 ± 0.003 Å
• c: 11.59 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1875 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes