Information card for entry 4080134

Structure parameters

• Formula: C33 H59 Al2 N2 Y
• Calculated formula: C33 H59 Al2 N2 Y
• SMILES: [Y]123([CH3][Al]([CH3]2)(C)C)([CH3][Al]([CH3]3)(C)C)[N](c2c(cccc2C(C)C)C(C)C)=CN1c1c(cccc1C(C)C)C(C)C
• 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: 13.249 ± 0.003 Å
• b: 16.148 ± 0.003 Å
• c: 17.544 ± 0.004 Å
• α: 90°
• β: 100.35 ± 0.03°
• γ: 90°
• Cell volume: 3692.4 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1183
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No