Information card for entry 7715393

Structure parameters

• Formula: C33 H31 Al N2
• Calculated formula: C33 H31 Al N2
• SMILES: [AlH](=C1N(C(=C(N1C)C)C)C)(C1c2c(c3c1cccc3)cccc2)C1c2c(c3c1cccc3)cccc2
• 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: 12.1439 ± 0.0001 Å
• b: 13.0413 ± 0.0002 Å
• c: 16.6824 ± 0.0002 Å
• α: 82.008 ± 0.001°
• β: 88.627 ± 0.001°
• γ: 84.549 ± 0.001°
• Cell volume: 2604.38 ± 0.06 ų
• Cell temperature: 99.9 ± 0.6 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No