Information card for entry 7003452

Structure parameters

• Common name: bispentamethylcyclopentadienylbromoborane
• Formula: C20 H30 B Br
• Calculated formula: C20 H30 B Br
• SMILES: C1(C(=C(C(=C1C)C)C)C)(C)B(C1(C(=C(C(=C1C)C)C)C)C)Br
• 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: 7.707 ± 0.0015 Å
• b: 15.777 ± 0.003 Å
• c: 16.096 ± 0.003 Å
• α: 90°
• β: 90 ± 0.03°
• γ: 90°
• Cell volume: 1957.2 ± 0.6 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: 0.1679
• Residual factor for significantly intense reflections: 0.1255
• Weighted residual factors for significantly intense reflections: 0.3423
• Weighted residual factors for all reflections included in the refinement: 0.3874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.427
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No