Information card for entry 4072349

Structure parameters

• Formula: C58 H65 B F20 N P Ti
• Calculated formula: C58 H65 B F20 N P Ti
• Title of publication: Selective Catalytic Dimerization of Neohexene by [Cp*Ti(NPtBu3)Me][B(C6F5)4]
• Authors of publication: Friesen, Dawn M.; Piers, Warren E.; Parvez, Masood
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6596
• a: 21.327 ± 0.004 Å
• b: 20.487 ± 0.006 Å
• c: 26.1 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11404 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No