Information card for entry 4074030

Structure parameters

• Formula: C38 H57 Al Lu N3 O
• Calculated formula: C38 H57 Al Lu N3 O
• SMILES: [Lu]1234([CH3][Al]([N]3(Cc3[n]1c(ccc3)CN2c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C4(C)C)(C)C)[O]1CCCC1
• Title of publication: Distinct C−H Bond Activation Pathways in Diamido-Pyridine-Supported Rare-Earth Metal Hydrocarbyl Complexes
• Authors of publication: Zimmermann, Melanie; Estler, Frank; Herdtweck, Eberhardt; Törnroos, Karl W.; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 6029
• a: 10.0267 ± 0.0004 Å
• b: 12.5492 ± 0.0004 Å
• c: 28.8528 ± 0.001 Å
• α: 90°
• β: 94.243 ± 0.001°
• γ: 90°
• Cell volume: 3620.5 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No