Information card for entry 4133279

Structure parameters

• Formula: C40 H34 B F15 Ge Hf Si2
• Calculated formula: C40 H34 B F15 Ge Hf Si2
• SMILES: [Hf]123456789([C]%10([Ge]%11%12([C]=%10([C]%11(=[C]1%12[Si](C)(C)C)C)C)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[Si](C)(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]61
• 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: 10.1535 ± 0.0002 Å
• b: 18.4694 ± 0.0005 Å
• c: 21.3666 ± 0.0005 Å
• α: 90°
• β: 93.9442 ± 0.0011°
• γ: 90°
• Cell volume: 3997.37 ± 0.16 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: 0.0419
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No