Information card for entry 7156710

Structure parameters

• Formula: C59 H47 B F24 Se
• Calculated formula: C59 H47 B F24 Se
• Title of publication: Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.
• Authors of publication: Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 3181 - 3185
• a: 13.7859 ± 0.0005 Å
• b: 28.6706 ± 0.001 Å
• c: 14.2244 ± 0.0005 Å
• α: 90°
• β: 104.535 ± 0.001°
• γ: 90°
• Cell volume: 5442.3 ± 0.3 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 2 K
• Number of distinct elements: 5
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No