Information card for entry 4073313

Structure parameters

• Formula: C21 H34 O Zr
• Calculated formula: C21 H33.783 O Zr
• Title of publication: Oxygen Effect in Heterobimetallic Catalysis: The Zr−O−Ti System as an Excellent Example for Olefin Polymerization‡
• Authors of publication: Gurubasavaraj, Prabhuodeyara M.; Roesky, Herbert W.; Sharma, Prabhuodeyara M. Veeresha; Oswald, Rainer B.; Dolle, Volker; Herbst-Irmer, Regine; Pal, Aritra
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3346
• a: 8.035 ± 0.002 Å
• b: 10.948 ± 0.003 Å
• c: 22.256 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1957.8 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No