Information card for entry 7025217

Structure parameters

• Formula: C53 H85 Al2 N3 Y
• Calculated formula: C53 H85 Al2 N3 Y
• SMILES: [Y]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: 10.0997 ± 0.0002 Å
• b: 51.7483 ± 0.0012 Å
• c: 20.709 ± 0.0005 Å
• α: 90°
• β: 94.419 ± 0.001°
• γ: 90°
• Cell volume: 10791.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0866
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No