Information card for entry 7002449

Structure parameters

• Formula: C24 H30 Al N5 S2
• Calculated formula: C24 H30 Al N5 S2
• SMILES: [Al]123(SC=[N]2c2ccccc2)(SC=[N]3c2ccccc2)n2c(C[N]1(C)C)ccc2CN(C)C
• 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: 10.2678 ± 0.0003 Å
• b: 21.9497 ± 0.0006 Å
• c: 11.3213 ± 0.0003 Å
• α: 90°
• β: 97.428 ± 0.002°
• γ: 90°
• Cell volume: 2530.13 ± 0.12 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: 0.0692
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No