Information card for entry 4084837

Structure parameters

• Formula: C99 H108 N4 Yb2
• Calculated formula: C99 H108 N4 Yb2
• Title of publication: Carbon‒Hydrogen Bond Breaking and Making in the Open-Shell Singlet Molecule Cp*2Yb(4,7-Me2phen)
• Authors of publication: Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Ricard, Louis; Andersen, Richard A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6819
• a: 12.478 ± 0.005 Å
• b: 12.704 ± 0.005 Å
• c: 14.038 ± 0.005 Å
• α: 86.974 ± 0.004°
• β: 87.632 ± 0.004°
• γ: 66.846 ± 0.004°
• Cell volume: 2042.7 ± 1.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No