Information card for entry 7025219

Structure parameters

• Formula: C53 H85 Al2 Lu N3
• Calculated formula: C53 H85 Al2 Lu N3
• SMILES: [Lu]123([CH3][Al]([CH3]1)(C)C)([N](c1c(c4c(cc(cc4C(C)C)C(C)C)C(C)C)cccc1)=NN2c1c(c2c(cc(cc2C(C)C)C(C)C)C(C)C)cccc1)[CH3][Al]([CH3]3)(C)C.CCCCCC
• Title of publication: Rare-earth metal bis(tetramethylaluminate) complexes supported by a sterically crowded triazenido ligand.
• Authors of publication: Litlabø, Rannveig; Lee, Hyui Sul; Niemeyer, Mark; Törnroos, Karl W; Anwander, Reiner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6815 - 6825
• a: 10.0659 ± 0.0003 Å
• b: 51.7349 ± 0.0014 Å
• c: 20.7342 ± 0.0006 Å
• α: 90°
• β: 94.371 ± 0.001°
• γ: 90°
• Cell volume: 10766.1 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.098
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No