Information card for entry 7047481

Structure parameters

• Formula: C47 H82 O2 Sc2
• Calculated formula: C47 H82 O2 Sc2
• Title of publication: Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.
• Authors of publication: Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 14468 - 14482
• a: 10.09676 ± 0.00006 Å
• b: 20.06909 ± 0.0001 Å
• c: 22.20033 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4498.51 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No