Information card for entry 4073298

Structure parameters

• Chemical name: (η^3^-allyl)-(tetrahydrofuran-O)-(1,3-bis(tert-butyl)- imidazol-2-ylidine)-palladium(ii) tetrafluoroborate
• Formula: C18 H33 B F4 N2 O Pd
• Calculated formula: C18 H32.629 B F4 N2 O Pd
• Title of publication: Mononuclear NHC−Pd−π-Allyl Complexes Containing Weakly Coordinating Ligands
• Authors of publication: Chernyshova, Eleonora S.; Goddard, Richard; Pörschke, Klaus-Richard
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 3236
• a: 10.2875 ± 0.0002 Å
• b: 12.6052 ± 0.0003 Å
• c: 16.3796 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2124.04 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0291
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No