Information card for entry 1556421

Structure parameters

• Formula: C39 H47 Al N2
• Calculated formula: C39 H47 Al N2
• SMILES: [AlH2]1[N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Characterization and Photophysical Properties of a Luminescent Aluminum Hydride Complex Supported by a beta-Diketiminate Ligand
• Authors of publication: Ito, S.; Tanaka, K.; Chujo, Y.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 100
• a: 16.0206 ± 0.0003 Å
• b: 24.7785 ± 0.0005 Å
• c: 16.9022 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6709.6 ± 0.2 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No