Information card for entry 7121109

Structure parameters

• Formula: C20 H30 Al2 Br2
• Calculated formula: C20 H30 Al2 Br2
• SMILES: Br[Al]1234([Al]5678(Br)[c]9([c]5([c]6([c]7([c]89C)C)C)C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Dialumination of unsaturated species with a reactive bis(cyclopentadienyl) dialane.
• Authors of publication: Hofmann, Alexander; Lamprecht, Anna; González-Belman, Oscar F; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 1639 - 1642
• a: 10.394 ± 0.005 Å
• b: 14.012 ± 0.008 Å
• c: 15.316 ± 0.007 Å
• α: 90°
• β: 97.53 ± 0.04°
• γ: 90°
• Cell volume: 2211.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No