Information card for entry 7039070

Structure parameters

• Formula: C4 H10 As2 F12 N2
• Calculated formula: C4 H10 As2 F12 N2
• SMILES: C(C[NH+](C)C)#[NH+].[As](F)(F)(F)([F-])(F)F.[As](F)(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: 14.703 ± 0.004 Å
• b: 10.26 ± 0.003 Å
• c: 16.759 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2528.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No