Information card for entry 7225966

Structure parameters

• Formula: C58 H84 Al2 N6
• Calculated formula: C58 H84 Al2 N6
• SMILES: [Al]1([N]([Al]([N]1=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C)C
• Title of publication: Organoaluminum(III) complexes of the bis-N,N’-(2,6-diisopropylphenyl)imidazolin-2-imine ligand
• Authors of publication: Todd, Angela D.K.; McClennan, William L.; Masuda, Jason Douglas
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.064 ± 0.002 Å
• b: 22.957 ± 0.004 Å
• c: 24.196 ± 0.004 Å
• α: 62.143 ± 0.002°
• β: 75.811 ± 0.002°
• γ: 89.463 ± 0.002°
• Cell volume: 5700.5 ± 1.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No