Information card for entry 7106990

Structure parameters

• Common name: DIPPnacnacAl(BH4)2
• Formula: C35 H55 Al B2 N2
• Calculated formula: C35 H55 Al B2 N2
• SMILES: [BH2]1[H][Al]23([H][BH2][H]2)([N](=C(C)C=C(C)N3c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[H]1.c1ccccc1
• Title of publication: Unprecedented reactivity of an aluminium hydride complex with ArNH2BH3: nucleophilic substitution versus deprotonation
• Authors of publication: Sjoerd Harder; Jan Spielmann
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11945
• a: 8.4532 ± 0.0005 Å
• b: 12.1566 ± 0.0008 Å
• c: 18.6362 ± 0.0012 Å
• α: 75.871 ± 0.004°
• β: 78.335 ± 0.004°
• γ: 69.729 ± 0.004°
• Cell volume: 1727.5 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No