Information card for entry 1568411

Structure parameters

• Formula: As Cl2 F7
• Calculated formula: As Cl2 F7
• Title of publication: On pyridine chloronium cations
• Authors of publication: Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2325 - 2329
• a: 5.3882 ± 0.0007 Å
• b: 15.2962 ± 0.0017 Å
• c: 7.9427 ± 0.001 Å
• α: 90°
• β: 105.459 ± 0.004°
• γ: 90°
• Cell volume: 630.95 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No