Information card for entry 7003523

Structure parameters

• Formula: C12 H30 Al4 Br6 O6
• Calculated formula: C12 H30 Al4 Br6 O6
• SMILES: [Al]123([O](CC)[Al]([O]1CC)(Br)Br)([O](CC)[Al]([O]3CC)(Br)Br)[O](CC)[Al]([O]2CC)(Br)Br
• Title of publication: Halogen-containing tetrametallic aluminium alkoxides
• Authors of publication: Mitra, Amitabha; Wang, Yuzhong; Parkin, Sean; Atwood, David
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 8
• Pages of publication: 1037 - 1042
• a: 14.3134 ± 0.0002 Å
• b: 11.7178 ± 0.0002 Å
• c: 17.0046 ± 0.0003 Å
• α: 90°
• β: 90.2588 ± 0.0006°
• γ: 90°
• Cell volume: 2852.01 ± 0.08 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.066
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No