Information card for entry 7054864

Structure parameters

• Formula: C76 H142 Al2 N2 Y2
• Calculated formula: C76 H142 Al2 N2 Y2
• SMILES: [Y]12345(Nc6c(cc(cc6C(C)(C)C)C(C)(C)C)C(C)(C)C)([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)([CH3])[Al](C)(C)([CH3])[Y]1234(Nc6c(cc(cc6C(C)(C)C)C(C)(C)C)C(C)(C)C)([c]6([c]1([c]2([c]4([c]36C)C)C)C)C)([CH3])[Al](C)(C)[CH3]5.CCCCCC.CCCCCC
• 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: 49.6386 ± 0.0013 Å
• b: 12.3116 ± 0.0003 Å
• c: 35.9711 ± 0.0016 Å
• α: 90°
• β: 131.598 ± 0.001°
• γ: 90°
• Cell volume: 16439.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No