Information card for entry 4075849

Structure parameters

• Chemical name: {N,N'-(1,1-dyclopentylidenemethylidyne)bis(2,6-bis(1-methylethyl)- benzeneamine)}-tetrachloro-dipalladium(II)
• Formula: C31 H44 Cl4 N2 Pd2
• Calculated formula: C31 H44 Cl4 N2 Pd2
• SMILES: [Pd]12([Cl][Pd]([Cl]1)(Cl)Cl)[N](=CC1(C=[N]2c2c(cccc2C(C)C)C(C)C)CCCC1)c1c(cccc1C(C)C)C(C)C
• 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: 26.0226 ± 0.001 Å
• b: 19.716 ± 0.0007 Å
• c: 16.4642 ± 0.0006 Å
• α: 90°
• β: 126.735 ± 0.001°
• γ: 90°
• Cell volume: 6769.6 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No