Information card for entry 4337906

Structure parameters

• Common name: (LMes1-)AlCl2
• Formula: C22 H28 Al Cl2 N2
• Calculated formula: C22 H28 Al Cl2 N2
• SMILES: Cl[Al]1([N](c2c(cc(cc2C)C)C)=C(C(=[N]1c1c(cc(cc1C)C)C)C)C)Cl
• Title of publication: Synthesis and Characterization of Aluminum-α-diimine Complexes over Multiple Redox States.
• Authors of publication: Cole, Bren E.; Wolbach, Jeffrey P.; Dougherty, Jr, William G.; Piro, Nicholas A.; Kassel, W. Scott; Graves, Christopher R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3899
• a: 17.6845 ± 0.0014 Å
• b: 14.1011 ± 0.001 Å
• c: 18.3747 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4582.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No