Information card for entry 4073299

Structure parameters

• Chemical name: 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene- (dichloromethane-Cl)-(η^3^-allyl)palladium hexafluorophosphate di-dichloromethane solvate
• Formula: C33 H47 Cl6 F6 N2 P Pd
• Calculated formula: C33 H46.72 Cl6 F6 N2 P 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: 12.7245 ± 0.0002 Å
• b: 24.8421 ± 0.0005 Å
• c: 12.9234 ± 0.0002 Å
• α: 90°
• β: 93.908 ± 0.001°
• γ: 90°
• Cell volume: 4075.63 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0762
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No