Information card for entry 1100827

Structure parameters

• Formula: C23 H35 Y
• Calculated formula: C23 H35 Y
• Title of publication: Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands
• Authors of publication: Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 2269 - 2278
• a: 8.9218 ± 0.0011 Å
• b: 17.632 ± 0.002 Å
• c: 13.6181 ± 0.0017 Å
• α: 90°
• β: 90.066 ± 0.002°
• γ: 90°
• Cell volume: 2142.3 ± 0.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No