Information card for entry 4133280

Structure parameters

• Formula: C60 H50 B F20 Ge Hf Si2
• Calculated formula: C60 H50 B F20 Ge Hf Si2
• Title of publication: Evidence for a Single Electron Shift in a Lewis Acid-Base Reaction.
• Authors of publication: Dong, Zhaowen; Cramer, Hanna H.; Schmidtmann, Marc; Paul, Lucas A.; Siewert, Inke; Müller, Thomas
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 45
• Pages of publication: 15419 - 15424
• a: 25.1613 ± 0.0006 Å
• b: 12.6112 ± 0.0003 Å
• c: 36.1806 ± 0.0009 Å
• α: 90°
• β: 91.2732 ± 0.0013°
• γ: 90°
• Cell volume: 11477.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No