Information card for entry 7715396

Structure parameters

• Formula: C37 H41 Al N2
• Calculated formula: C37 H41 Al N2
• SMILES: [AlH2](=C1N(C(=C(N1C(C)C)C)C)C(C)C)C1c2c(c3c1cccc3)cccc2.c1c2c(ccc1)c1c(C2)cccc1
• Title of publication: NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)_<i>n</i>-heterocycles (<i>n</i> = 2,3).
• Authors of publication: Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 5932 - 5946
• a: 15.9887 ± 0.0001 Å
• b: 10.2365 ± 0.0001 Å
• c: 19.4053 ± 0.0002 Å
• α: 90°
• β: 108.319 ± 0.001°
• γ: 90°
• Cell volume: 3015.08 ± 0.05 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No