Information card for entry 7715399

Structure parameters

• Formula: C31 H44 Al2 N4
• Calculated formula: C31 H44 Al2 N4
• SMILES: [AlH2](C1([AlH2]=C2N(C(C)C)C=CN2C(C)C)c2c(c3c1cccc3)cccc2)=C1N(C(C)C)C=CN1C(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: 19.1995 ± 0.0005 Å
• b: 10.2452 ± 0.0001 Å
• c: 17.07 ± 0.0003 Å
• α: 90°
• β: 114.13 ± 0.003°
• γ: 90°
• Cell volume: 3064.32 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No