Information card for entry 7047475

Structure parameters

• Formula: C47 H82 Er2 O2
• Calculated formula: C47 H82 Er2 O2
• 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: 10.0818 ± 0.0002 Å
• b: 20.127 ± 0.0004 Å
• c: 22.62 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4589.97 ± 0.15 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: 0.0319
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No