Information card for entry 4081572

Structure parameters

• Formula: C32 H42 N2 Yb
• Calculated formula: C32 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]1cccc(c1c1c(ccc[n]91)C)C)C)C)C)C
• Title of publication: Influence of the Torsion Angle in 3,3′-Dimethyl-2,2′-bipyridine on the Intermediate Valence of Yb in (C5Me5)2Yb(3,3′-Me2-bipy)
• Authors of publication: Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Andersen, Richard A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5305
• a: 17.55 ± 0.005 Å
• b: 18.129 ± 0.005 Å
• c: 18.314 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5827 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No