Information card for entry 2014261

Structure parameters

• Common name: triethylammonium chloride
• Chemical name: Triethylammonium chloride
• Formula: C6 H16 Cl N
• Calculated formula: C6 H16 Cl N
• SMILES: CC[NH+](CC)CC.[Cl-]
• Title of publication: Redetermination of triethylammonium chloride in the space group <i>P</i>31<i>c</i>
• Authors of publication: Churakov, Andrei V.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o557 - o558
• a: 8.2542 ± 0.0002 Å
• b: 8.2542 ± 0.0002 Å
• c: 6.9963 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 412.809 ± 0.018 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0194
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes