Information card for entry 4064845

Structure parameters

• Formula: C27 H36 La N3
• Calculated formula: C27 H36 La N3
• SMILES: [La]123456789([N](C1[C]12C=CC=C[CH]3=1)(C)C)([N](C4[C]15=[CH]6C=CC=C1)(C)C)[N](C7[C]18=[CH]9C=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: 14.4333 ± 0.0004 Å
• b: 11.6644 ± 0.0003 Å
• c: 14.9842 ± 0.0004 Å
• α: 90°
• β: 94.422 ± 0.001°
• γ: 90°
• Cell volume: 2515.17 ± 0.12 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No