Information card for entry 7156707

Structure parameters

• Formula: C59 H47 B Cl2 F24 Se
• Calculated formula: C59 H47 B Cl2 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: 16.7865 ± 0.0006 Å
• b: 18.0322 ± 0.0008 Å
• c: 18.9289 ± 0.0007 Å
• α: 90°
• β: 99.888 ± 0.001°
• γ: 90°
• Cell volume: 5644.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No