Information card for entry 7047467

Structure parameters

• Formula: C39 H69 Pr
• Calculated formula: C39 H69 Pr
• 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: 10.4209 ± 0.0008 Å
• b: 10.5363 ± 0.0006 Å
• c: 20.0361 ± 0.0015 Å
• α: 78.174 ± 0.006°
• β: 87.186 ± 0.006°
• γ: 61.117 ± 0.007°
• Cell volume: 1882.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No