Information card for entry 7715397

Structure parameters

• Formula: C48 H58 Al2 N4
• Calculated formula: C48 H58 Al2 N4
• SMILES: [AlH]1(C2(c3ccccc3c3c2cccc3)[AlH](=C2N(C(=C(N2C(C)C)C)C)C(C)C)C21c1c(c3c2cccc3)cccc1)=C1N(C(=C(N1C(C)C)C)C)C(C)C
• 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: 12.6278 ± 0.0002 Å
• b: 16.157 ± 0.0002 Å
• c: 21.6852 ± 0.0004 Å
• α: 90°
• β: 106.42 ± 0.002°
• γ: 90°
• Cell volume: 4243.93 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No