Information card for entry 7121112

Structure parameters

• Formula: C26 H35 Al2 Br2 N
• Calculated formula: C26 H35 Al2 Br2 N
• SMILES: [Br]1[Al]23456(N([Al]789%1012(Br)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)c1ccccc1)[c]1([c]3([c]4([c]5([c]61C)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: 8.88 ± 0.006 Å
• b: 14.563 ± 0.009 Å
• c: 10.658 ± 0.01 Å
• α: 90°
• β: 110.01 ± 0.04°
• γ: 90°
• Cell volume: 1295.1 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No