Information card for entry 4064852

Structure parameters

• Formula: C41 H62 La N O3
• Calculated formula: C41 H62 La N O3
• SMILES: [La]123(Oc4c(cccc4C(C)(C)C)C(C)(C)C)(Oc4c(cccc4C(C)(C)C)C(C)(C)C)([O]4CCCC4)[N](C1[C]12=[CH]3C=CC=C1)(C)C
• Title of publication: Synthesis and Reactivity of Homoleptic α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes
• Authors of publication: Behrle, Andrew C.; Schmidt, Joseph A. R.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 3915
• a: 14.215 ± 0.0006 Å
• b: 13.9201 ± 0.0005 Å
• c: 19.6337 ± 0.0008 Å
• α: 90°
• β: 90.442 ± 0.001°
• γ: 90°
• Cell volume: 3884.9 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No