Information card for entry 7225965

Structure parameters

• Formula: C56 H79 Al N6
• Calculated formula: C56 H79 Al N6
• SMILES: [Al](N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)([NH]=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: 12.9094 ± 0.001 Å
• b: 18.683 ± 0.0014 Å
• c: 21.6167 ± 0.0016 Å
• α: 90°
• β: 90.05 ± 0.001°
• γ: 90°
• Cell volume: 5213.7 ± 0.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No