Information card for entry 4074705

Structure parameters

• Formula: C36 H67 Al Si2 Zr
• Calculated formula: C36 H67 Al Si2 Zr
• Title of publication: Simple Alumination Reactions of Pentamethylcyclopentadienyl Ligands in the Decamethylzirconocene−Bis(trimethylsilyl)acetylene Complex Cp*2Zr(η2-Me3SiC2SiMe3)
• Authors of publication: Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 519
• a: 15.302 ± 0.003 Å
• b: 15.983 ± 0.003 Å
• c: 17.352 ± 0.003 Å
• α: 90°
• β: 112.55 ± 0.03°
• γ: 90°
• Cell volume: 3919.4 ± 1.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0641
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.0858
• Goodness-of-fit parameter for all reflections: 0.917
• Goodness-of-fit parameter for significantly intense reflections: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No