Information card for entry 4337908

Structure parameters

• Common name: (LDipp1-)AlCl2
• Formula: C28 H40 Al Cl2 N2
• Calculated formula: C28 H40 Al Cl2 N2
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1[Al](Cl)(Cl)[N](c2c(cccc2C(C)C)C(C)C)=C(C=1C)C
• 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: 12.3683 ± 0.0004 Å
• b: 21.3523 ± 0.0008 Å
• c: 10.4652 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2763.77 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No