Information card for entry 4074029

Structure parameters

• Formula: C37 H58 Al2 N3 Y
• Calculated formula: C37 H58 Al2 N3 Y
• SMILES: [Y]12345[CH3][Al]([CH2]3C(c3c([N]1([Al](C)(C)[CH3]5)Cc1[n]2c(ccc1)CN4c1c(cccc1C(C)C)C(C)C)c(ccc3)C(C)C)C)(C)C
• 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: 11.2525 ± 0.0005 Å
• b: 23.1905 ± 0.0009 Å
• c: 15.2776 ± 0.0006 Å
• α: 90°
• β: 105.627 ± 0.001°
• γ: 90°
• Cell volume: 3839.3 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No