Information card for entry 7156711

Structure parameters

• Formula: C56 H49 B F24 Se
• Calculated formula: C56 H49 B F24.003 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: 12.6757 ± 0.0005 Å
• b: 13.1647 ± 0.0005 Å
• c: 16.7688 ± 0.0006 Å
• α: 84.782 ± 0.001°
• β: 73.312 ± 0.001°
• γ: 82.574 ± 0.001°
• Cell volume: 2653.63 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No