Information card for entry 4081826

Structure parameters

• Formula: C40 H41 B Si
• Calculated formula: C40 H41 B Si
• SMILES: [Si]([C@@]1(B([C@H](C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(CC)(CC)CC.[Si]([C@]1(B([C@@H](C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(CC)(CC)CC
• Title of publication: Si‒H Bond Activation at the Boron Center of Pentaphenylborole
• Authors of publication: Braunschweig, Holger; Damme, Alexander; Hörl, Christian; Kupfer, Thomas; Wahler, Johannes
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6800
• a: 9.09 ± 0.02 Å
• b: 19.06 ± 0.03 Å
• c: 18.03 ± 0.02 Å
• α: 90°
• β: 91.52 ± 0.04°
• γ: 90°
• Cell volume: 3123 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No