Information card for entry 2240060

Structure parameters

• Common name: <i>tert</i>-Butyl-<i>N</i>-phenylcarbonitrilium tetrachloridoaluminate
• Chemical name: 2,2-Dimethyl-<i>N</i>-phenylpropanenitrilium tetrachloridoaluminate
• Formula: C11 H14 Al Cl4 N
• Calculated formula: C11 H14 Al Cl4 N
• SMILES: [Al](Cl)(Cl)(Cl)[Cl-].C(C(C)(C)C)#[N+]c1ccccc1
• Title of publication: Crystal structure of <i>tert</i>-butyl-<i>N</i>-phenylcarbonitrilium tetrachloridoaluminate
• Authors of publication: van Dijk, Tom; Zant, Dirk W.; Wolf, Robert; Lammertsma, Koop; Slootweg, J. Chris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 331 - 333
• a: 6.4531 ± 0.0006 Å
• b: 13.6967 ± 0.0013 Å
• c: 17.9352 ± 0.0017 Å
• α: 90°
• β: 93.636 ± 0.001°
• γ: 90°
• Cell volume: 1582 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes