Information card for entry 4078836

Structure parameters

• Formula: C44 H82 Al2 Lu2 N2
• Calculated formula: C44 H82 Al2 Lu2 N2
• SMILES: [CH3]1[Al](C)(C)[CH3][Lu]2341[C]1(=[C]3(C=C(C=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)N4[Lu]134([CH3][Al]([CH3]1)(C)C)[C]1(=C(C=C(C=[C]31C(C)(C)C)C(C)(C)C)C(C)(C)C)N24
• 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: 23.9903 ± 0.0009 Å
• b: 11.7282 ± 0.0005 Å
• c: 20.4162 ± 0.0008 Å
• α: 90°
• β: 111.435 ± 0.002°
• γ: 90°
• Cell volume: 5347 ± 0.4 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: 0.0216
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No