Information card for entry 7002927

Structure parameters

• Formula: C34 H58 Al2 Br2
• Calculated formula: C34 H58 Al2 Br2
• SMILES: [Al]1([Br]c2c(/C1=C\C(C)(C)C)cc1[Br][Al](/C(=C/C(C)(C)C)c1c2)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: The influence of halogen substituents on the course of hydrogallation and hydroalumination reactions
• Authors of publication: Uhl, Werner; Claesener, Michael; Hepp, Alexander; Jasper, Beate; Vinogradov, Andrej; van Wüllen, Leo; Köster, Thomas K.-J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10550 - 10562
• a: 6.3385 ± 0.0008 Å
• b: 10.5518 ± 0.0014 Å
• c: 15.182 ± 0.002 Å
• α: 69.663 ± 0.002°
• β: 79.779 ± 0.002°
• γ: 80.439 ± 0.002°
• Cell volume: 931 ± 0.2 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: 0.0608
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No