Information card for entry 7131703

Structure parameters

• Formula: C16 H36 Br44 Cl N Si32
• Calculated formula: C16 H36 Br44 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: 15.2828 ± 0.0003 Å
• b: 26.6284 ± 0.0006 Å
• c: 29.007 ± 0.0011 Å
• α: 90°
• β: 91.721 ± 0.002°
• γ: 90°
• Cell volume: 11799.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56002 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No