Information card for entry 1505791

Structure parameters

• Formula: C42 H69 Al2 Nd O3
• Calculated formula: C42 H69 Al2 Nd O3
• SMILES: [Nd](Oc1c(cccc1C(C)C)C(C)C)([O]([Al](C)(C)C)c1c(cccc1C(C)C)C(C)C)[O]([Al](C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Discrete Lanthanide Aryl(alk)oxide Trimethylaluminum Adducts as Isoprene Polymerization Catalysts
• Authors of publication: Fischbach, Andreas; Meermann, Christian; Eickerling, Georg; Scherer, Wolfgang; Anwander, Reiner
• Journal of publication: Macromolecules
• Year of publication: 2006
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 6811
• a: 11.714 ± 0.001 Å
• b: 18.289 ± 0.001 Å
• c: 20.855 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4467.9 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No