Information card for entry 4088086

Structure parameters

• Formula: C26 H55 Al O2 Yb
• Calculated formula: C26 H55 Al O2 Yb
• SMILES: [Yb]1234([O](CC)CC)([O](CC)CC)([CH2]([Al](CC)(CC)CC)C)[c]5([c]2([c]3([c]4([c]51C)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: 12.5262 ± 0.0005 Å
• b: 13.4605 ± 0.0006 Å
• c: 17.9279 ± 0.0008 Å
• α: 90°
• β: 99.2456 ± 0.0005°
• γ: 90°
• Cell volume: 2983.5 ± 0.2 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: 0.0221
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No