Information card for entry 4115666

Structure parameters

• Chemical name: Dichloro bis-{N,N-Dimethyl-2[(2,2 diphenyl) ethenyloxy]ethanamine} palladium(II)
• Formula: C36 H42 Cl2 N2 O2 Pd
• Calculated formula: C36 H42 Cl2 N2 O2 Pd
• SMILES: Cl[Pd]([N](C)(C)CCOC=C(c1ccccc1)c1ccccc1)([N](C)(C)CCOC=C(c1ccccc1)c1ccccc1)Cl
• 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: 17.9444 ± 0.0013 Å
• b: 11.6019 ± 0.0009 Å
• c: 8.2731 ± 0.0006 Å
• α: 90°
• β: 99.22 ± 0.002°
• γ: 90°
• Cell volume: 1700.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No