Information card for entry 4075847

Structure parameters

• Chemical name: {N,N'-(1,1-cyclohexylidenedimethylidyne)bis(2,6-bis(1-methylethyl)- benzenamine)}-dichloro-palladium(II) tris-chloroform solvate
• Formula: C35 H49 Cl11 N2 Pd
• Calculated formula: C35 H49 Cl11 N2 Pd
• Title of publication: Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†
• Authors of publication: Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 3957
• a: 12.1042 ± 0.0005 Å
• b: 17.2671 ± 0.0007 Å
• c: 21.1808 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4426.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.048
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No