Information card for entry 7003453

Structure parameters

• Common name: bispentamethylcyclopentadienylchloroborane
• Formula: C20 H30 B Cl
• Calculated formula: C20 H30 B Cl
• SMILES: ClB(C1(C(=C(C(=C1C)C)C)C)C)C1(C(=C(C(=C1C)C)C)C)C
• Title of publication: Group 13 decamethylmetallocenium cations
• Authors of publication: Macdonald, Charles L. B.; Gorden, John D.; Voigt, Andreas; Filipponi, Silvia; Cowley, Alan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 9
• Pages of publication: 1161 - 1176
• a: 7.6333 ± 0.0014 Å
• b: 16.202 ± 0.002 Å
• c: 15.542 ± 0.002 Å
• α: 90°
• β: 92.212 ± 0.013°
• γ: 90°
• Cell volume: 1920.7 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.1072
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No