Information card for entry 4073300

Structure parameters

• Chemical name: (η^3^-allyl)-(tetrafluoroborato-F)-(1,3-bis(tert-butyl)- imidazol-2-ylidine)-palladium(ii)
• Formula: C14 H25 B F4 N2 Pd
• Calculated formula: C14 H24.5 B F4 N2 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: 8.5926 ± 0.0005 Å
• b: 9.9062 ± 0.0005 Å
• c: 10.5937 ± 0.0005 Å
• α: 103.688 ± 0.002°
• β: 90.954 ± 0.002°
• γ: 97.222 ± 0.002°
• Cell volume: 868.17 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No