Information card for entry 7700033

Structure parameters

• Formula: C39 H57 Pr
• Calculated formula: C39 H57 Pr
• Title of publication: Synthesis and molecular structure of enantiomerically pure pentadienyl complexes of the rare-earth metals.
• Authors of publication: Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8297 - 8302
• a: 9.4762 ± 0.0003 Å
• b: 18.0442 ± 0.0007 Å
• c: 19.7324 ± 0.0007 Å
• α: 90°
• β: 97.142 ± 0.003°
• γ: 90°
• Cell volume: 3347.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No