Information card for entry 7703673

Structure parameters

• Formula: C29 H43 Al3 Lu N O
• Calculated formula: C29 H43 Al3 Lu N O
• SMILES: [Lu]12345[O]([Al]([CH3]2)(C)C)C(Cc2[n]1c(ccc2)[CH]4([Al](C)(C)[CH3]5)[Al](C)(C)[CH3]3)(c1ccccc1)c1ccccc1
• Title of publication: Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.
• Authors of publication: Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 2004 - 2013
• a: 11.1015 ± 0.0009 Å
• b: 21.7863 ± 0.0018 Å
• c: 13.0879 ± 0.001 Å
• α: 90°
• β: 104.751 ± 0.001°
• γ: 90°
• Cell volume: 3061.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No