Information card for entry 7223849

Structure parameters

• Formula: C10 H20 Cl N
• Calculated formula: C10 H20 Cl N
• SMILES: [Cl-].[N+]12(CCCCC1)CCCCC2
• Title of publication: Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten salts
• Authors of publication: Clough, Matthew T.; Geyer, Karolin; Hunt, Patricia A.; McIntosh, Alastair J. S.; Rowe, Rebecca; Welton, Tom; White, Andrew J. P.
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2016
• a: 8.1634 ± 0.0003 Å
• b: 8.9539 ± 0.0003 Å
• c: 14.4292 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1054.69 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No