Information card for entry 4115665

Structure parameters

• Chemical name: Dichloro-{2-[2-(ethenyloxy)ethyl]pyridine}palladium(II)
• Formula: C9 H11 Cl2 N O Pd
• Calculated formula: C9 H11 Cl2 N O Pd
• SMILES: [Pd]12(Cl)(Cl)[n]3c(CCO[CH]2=[CH2]1)cccc3
• Title of publication: Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process
• Authors of publication: Peter Nilsson; Mats Larhed; Anders Hallberg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 8217 - 8225
• a: 9.8468 ± 0.0005 Å
• b: 14.0391 ± 0.0007 Å
• c: 16.0009 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2211.97 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No