Information card for entry 7131702

Structure parameters

• Formula: C16 H48 Br32 Cl N Si32
• Calculated formula: C16 H48 Br32 Cl N Si32
• Title of publication: Brominated [20]silafulleranes: pushing the limits of steric loading.
• Authors of publication: Bamberg, Marcel; Gasevic, Thomas; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Grimme, Stefan; Bursch, Markus; Wagner, Matthias
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 48
• Pages of publication: 7459 - 7462
• a: 13.8596 ± 0.0008 Å
• b: 26.555 ± 0.0017 Å
• c: 29.2504 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10765.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.724
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No