Information card for entry 7002452

Structure parameters

• Formula: C35 H36 Al Cl2 N5
• Calculated formula: C35 H36 Al Cl2 N5
• SMILES: [Al]12(n3c(ccc3C[N]1(C)C)C[N]2(C)C)(n1c2ccccc2c2ccccc12)n1c2ccccc2c2ccccc12.ClCCl
• Title of publication: Deprotonation and reductive addition reactions of hypervalent aluminium dihydride compounds containing substituted pyrrolyl ligands with phenols, ketones, and aldehydes
• Authors of publication: Chen, I-Chun; Ho, Shi-Mau; Chen, Ya-Chi; Lin, Che-Yu; Hu, Ching-Han; Tu, Cheng-Yi; Datta, Amitabha; Huang, Jui-Hsien; Lin, Chia-Her
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8631 - 8643
• a: 20.656 ± 0.003 Å
• b: 36.021 ± 0.007 Å
• c: 8.436 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6276.8 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1996
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No