Information card for entry 4078833

Structure parameters

• Formula: C44 H82 Al2 N2 Y2
• Calculated formula: C44 H82 Al2 N2 Y2
• SMILES: [CH3]1[Y]234([C]5(=[C]2(C=C(C=C5C(C)(C)C)C(C)(C)C)C(C)(C)C)N3[Y]235([CH3][Al]([CH3]2)(C)C)[C]2(=C(C=C(C=[C]32C(C)(C)C)C(C)(C)C)C(C)(C)C)N45)[CH3][Al]1(C)C
• Title of publication: Organoaluminum-Assisted Formation of Rare-Earth Metal Imide Complexes
• Authors of publication: Schädle, Dorothea; Schädle, Christoph; Törnroos, Karl W.; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 5101
• a: 24.1086 ± 0.0008 Å
• b: 11.7699 ± 0.0004 Å
• c: 20.4463 ± 0.0007 Å
• α: 90°
• β: 111.65 ± 0.0004°
• γ: 90°
• Cell volume: 5392.5 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0254
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No