Information card for entry 4121975

Structure parameters

• Formula: C34 H42 N2 Yb
• Calculated formula: C34 H42 N2 Yb
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Yb]167892345([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)[n]1cccc2c(c(c3ccc[n]9c3c12)C)C)C)C)C)C
• Title of publication: Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.
• Authors of publication: Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 24
• Pages of publication: 8626 - 8641
• a: 9.0108 ± 0.0003 Å
• b: 17.2862 ± 0.0006 Å
• c: 18.5122 ± 0.0006 Å
• α: 90°
• β: 90.228 ± 0.002°
• γ: 90°
• Cell volume: 2883.48 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0239
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No