Information card for entry 7039069

Structure parameters

• Common name: PrCNHAsF6
• Formula: C4 H8 As F6 N
• Calculated formula: C4 H8 As F6 N
• SMILES: C(CCC)#[NH+].[F-][As](F)(F)(F)(F)F
• Title of publication: Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions.
• Authors of publication: Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8494 - 8499
• a: 6.0657 ± 0.0003 Å
• b: 8.0332 ± 0.0004 Å
• c: 8.9481 ± 0.0005 Å
• α: 94.12 ± 0.004°
• β: 105.177 ± 0.004°
• γ: 94.836 ± 0.004°
• Cell volume: 417.3 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No