Information card for entry 7002448

Structure parameters

• Formula: C16 H23 Al Cl2 N4
• Calculated formula: C16 H23 Al Cl2 N4
• SMILES: [AlH]12([N](C)(C)Cc3n1c(cc3)C[N]2(C)C)Nc1c(Cl)cccc1Cl
• 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: 13.3892 ± 0.0004 Å
• b: 10.8311 ± 0.0004 Å
• c: 13.4949 ± 0.0005 Å
• α: 90°
• β: 110.353 ± 0.001°
• γ: 90°
• Cell volume: 1834.85 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No