Information card for entry 1100824

Structure parameters

• Formula: C64 H116 Al2 Si4 Y2
• Calculated formula: C64 H116 Al2 Si4 Y2
• 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: 11.0875 ± 0.001 Å
• b: 19.7843 ± 0.0018 Å
• c: 15.6311 ± 0.0014 Å
• α: 90°
• β: 93.695 ± 0.002°
• γ: 90°
• Cell volume: 3421.7 ± 0.5 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171 ± 2 K
• Number of distinct elements: 5
• 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: 0.1233
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No