Information card for entry 4088080

Structure parameters

• Formula: C18 H39 Al2 Sm
• Calculated formula: C18 H39 Al2 Sm
• SMILES: [Sm]1234567([CH3][Al]([CH3]1)([CH3]3)C)([CH3][Al]([CH3]2)(C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
• Title of publication: Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes
• Authors of publication: Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5734
• a: 17.0888 ± 0.001 Å
• b: 14.3626 ± 0.0009 Å
• c: 17.989 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4415.2 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No