Information card for entry 4075758

Structure parameters

• Chemical name: (μ~2~-chloro)-bis[(η^3^-allyl)-(1,3-tert-butyl-imidazol- 2-ylidene)-palladium] hexafluorophosphate demi-diethylether demi-dichloromethane solvate
• Formula: C61 H112 Cl4 F12 N8 O P2 Pd4
• Calculated formula: C61 H112 Cl4 F12 N8 O P2 Pd4
• Title of publication: Cationic Dinuclear Pd−Allyl−Halide Complexes with N-Heterocyclic Carbenes
• Authors of publication: Ding, Yuqiang; Goddard, Richard; Pörschke, Klaus-Richard
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 439
• a: 11.779 ± 0.0001 Å
• b: 16.7882 ± 0.0001 Å
• c: 19.3921 ± 0.0001 Å
• α: 90°
• β: 90.746 ± 0.0003°
• γ: 90°
• Cell volume: 3834.43 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No