Information card for entry 4328941

Structure parameters

• Formula: C31 H49 Al N2
• Calculated formula: C31 H49 Al N2
• SMILES: [Al]1(N(c2c(cccc2C(C)C)C(C)C)C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)(C)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: 8.4376 ± 0.0002 Å
• b: 9.7487 ± 0.0003 Å
• c: 19.3503 ± 0.0006 Å
• α: 82.012 ± 0.002°
• β: 80.823 ± 0.002°
• γ: 69.652 ± 0.002°
• Cell volume: 1467.24 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No