Information card for entry 4328940

Structure parameters

• Formula: C20 H26 Al Cl N2
• Calculated formula: C20 H26 Al Cl N2
• SMILES: [Al@@]1(Cl)([N](c2c(cccc2C)C)=C(CN1c1c(cccc1C)C)C)C
• Title of publication: Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands
• Authors of publication: Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4650 - 4662
• a: 8.3271 ± 0.0005 Å
• b: 10.061 ± 0.0006 Å
• c: 13.492 ± 0.0008 Å
• α: 77.792 ± 0.003°
• β: 78.412 ± 0.004°
• γ: 66.799 ± 0.004°
• Cell volume: 1006.71 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1626
• 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