Information card for entry 4075848

Structure parameters

• Chemical name: {N,N'-(1,1-cyclopentylidenemethylidyne)bis(1,1-dimethylethaneamine)}- dichloro-palladium(II) chloroform solvate
• Formula: C16 H29 Cl5 N2 Pd
• Calculated formula: C16 H29 Cl5 N2 Pd
• SMILES: [Pd]1(Cl)(Cl)[N](=CC2(C=[N]1C(C)(C)C)CCCC2)C(C)(C)C.C(Cl)(Cl)Cl
• 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: 10.8303 ± 0.0007 Å
• b: 18.3935 ± 0.0011 Å
• c: 11.8584 ± 0.0007 Å
• α: 90°
• β: 91.664 ± 0.001°
• γ: 90°
• Cell volume: 2361.3 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No