Information card for entry 2243837

Structure parameters

• Chemical name: μ-Methylene-bis[dibromido(diethyl ether-κ<i>O</i>)aluminium(III)]
• Formula: C9 H22 Al2 Br4 O2
• Calculated formula: C9 H22 Al2 Br4 O2
• SMILES: [Al](C[Al]([O](CC)CC)(Br)Br)([O](CC)CC)(Br)Br
• Title of publication: μ-Methylene-bis[dibromido(diethyl ether-κ<i>O</i>)aluminium(III)]: crystal structure and chemical exchange in solution
• Authors of publication: Butcher, Ray J.; Purdy, Andrew P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 6
• Pages of publication: 647 - 652
• a: 8.3872 ± 0.0006 Å
• b: 12.1039 ± 0.0006 Å
• c: 18.1504 ± 0.0012 Å
• α: 90°
• β: 95.646 ± 0.003°
• γ: 90°
• Cell volume: 1833.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes