Information card for entry 7054859

Structure parameters

• Formula: C35 H61 Al N O Y
• Calculated formula: C35 H61 Al N O Y
• SMILES: [Y]12345([CH3][Al]6([NH]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C6)(C)C)C)([O]1CCCC1)(C)[c]1([c]5([c]2([c]3([c]41C)C)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: 19.1506 ± 0.0011 Å
• b: 8.9975 ± 0.0005 Å
• c: 24.1828 ± 0.0014 Å
• α: 90°
• β: 108.305 ± 0.001°
• γ: 90°
• Cell volume: 3956 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No