Information card for entry 7003448

Structure parameters

• Common name: decamethylborocenium tetrachloroaluminate
• Formula: C20 H30 Al B Cl4
• Calculated formula: C20 H30 Al B Cl4
• SMILES: C1(C(=C(C(=C1C)C)C)C)(C)[B]1234[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[Al](Cl)(Cl)(Cl)[Cl-]
• 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: 17.133 ± 0.003 Å
• b: 13.611 ± 0.003 Å
• c: 20.493 ± 0.004 Å
• α: 90°
• β: 90.3 ± 0.03°
• γ: 90°
• Cell volume: 4778.8 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.1122
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No