Information card for entry 7024512

Structure parameters

• Formula: C44.25 H72.5 Ce
• Calculated formula: C44.25 H72.5 Ce
• Title of publication: The reaction of bis(1,2,4-tri-t-butylcyclopentadienyl)ceriumbenzyl, Cp'2CeCH2Ph, with methylhalides: a metathesis reaction that does not proceed by a metathesis transition state.
• Authors of publication: Werkema, Evan L.; Andersen, Richard A.; Maron, Laurent; Eisenstein, Odile
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6648 - 6660
• a: 10.528 ± 0.002 Å
• b: 12.032 ± 0.003 Å
• c: 17.562 ± 0.004 Å
• α: 84.069 ± 0.004°
• β: 79.816 ± 0.004°
• γ: 66.418 ± 0.003°
• Cell volume: 2005.4 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0962
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No