Information card for entry 7156712

Structure parameters

• Formula: C59 H47 B Cl2 F24 S
• Calculated formula: C59 H47 B Cl2 F24 S
• 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: 20.0832 ± 0.0007 Å
• b: 17.7513 ± 0.0006 Å
• c: 17.4707 ± 0.0006 Å
• α: 90°
• β: 114.811 ± 0.001°
• γ: 90°
• Cell volume: 5653.5 ± 0.3 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: 0.054
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No