Information card for entry 4081573

Structure parameters

• Formula: C53 H74 Cl3.6 I0.4 N2 Yb2
• Calculated formula: C53 H74 Cl3.605 I0.395 N2 Yb2
• 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: 9.4957 ± 0.0014 Å
• b: 17.024 ± 0.002 Å
• c: 17.198 ± 0.003 Å
• α: 72.94 ± 0.002°
• β: 76.451 ± 0.002°
• γ: 87.439 ± 0.002°
• Cell volume: 2583 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No