Information card for entry 7003447

Structure parameters

• Common name: decamethylaluminocenium tetrachloroaluminate
• Formula: C20 H30 Al2 Cl4
• Calculated formula: C20 H30 Al2 Cl4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Al]16782345[c]2([c]1([c]6([c]7([c]82C)C)C)C)C)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: 7.7548 ± 0.0001 Å
• b: 17.3747 ± 0.0003 Å
• c: 18.0806 ± 0.0004 Å
• α: 85.71 ± 0.0007°
• β: 83.6011 ± 0.0008°
• γ: 84.7879 ± 0.0007°
• Cell volume: 2405.79 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No