Information card for entry 7715388

Structure parameters

• Formula: C35 H52 Al2 N4
• Calculated formula: C35 H52 Al2 N4
• SMILES: [AlH2](C1([AlH2]=C2N(C(=C(N2C(C)C)C)C)C(C)C)c2c(c3c1cccc3)cccc2)=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: 17.5752 ± 0.0003 Å
• b: 10.5232 ± 0.0002 Å
• c: 38.6355 ± 0.0008 Å
• α: 90°
• β: 98.272 ± 0.002°
• γ: 90°
• Cell volume: 7071.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No