Information card for entry 7039066

Structure parameters

• Formula: C2 H4 As F6 N
• Calculated formula: C2 H4 As F6 N
• SMILES: C(C)#[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: 5.2169 ± 0.0006 Å
• b: 6.5905 ± 0.0007 Å
• c: 9.3342 ± 0.001 Å
• α: 90°
• β: 92.267 ± 0.002°
• γ: 90°
• Cell volume: 320.68 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No