Information card for entry 7054863

Structure parameters

• Formula: C32 H46 Al N2 Y
• Calculated formula: C32 H46 Al N2 Y
• SMILES: c1ccc2cccc3c2[n]1[Y]1245([c]63[c]1([c]2([c]4([c]56C)C)C)C)(C)[NH](C12CC3CC(C1)CC(C2)C3)[Al](C)(C)(C)
• Title of publication: Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine
• Authors of publication: Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7640
• a: 9.4592 ± 0.0004 Å
• b: 12.2445 ± 0.0005 Å
• c: 14.0256 ± 0.0006 Å
• α: 68.379 ± 0.002°
• β: 80.349 ± 0.001°
• γ: 82.208 ± 0.002°
• Cell volume: 1483.98 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No