Information card for entry 4080130

Structure parameters

• Formula: C29 H51 Al2 N2 Y
• Calculated formula: C29 H51 Al2 N2 Y
• SMILES: [Y]123([CH3][Al]([CH3]2)(C)C)([CH3][Al]([CH3]3)(C)C)N(c2c(cccc2CC)CC)C=[N]1c1c(cccc1CC)CC
• Title of publication: C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands
• Authors of publication: Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1209
• a: 11.5677 ± 0.0011 Å
• b: 12.5648 ± 0.0011 Å
• c: 12.6101 ± 0.0011 Å
• α: 112.244 ± 0.007°
• β: 102.724 ± 0.007°
• γ: 91.594 ± 0.007°
• Cell volume: 1642.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No