Information card for entry 7039071

Structure parameters

• Formula: C7 H6 As F6 N
• Calculated formula: C7 H6 As F6 N
• 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: 10.3956 ± 0.001 Å
• b: 9.5385 ± 0.0009 Å
• c: 19.5358 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1937.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No