Information card for entry 4110539

Structure parameters

• Formula: C13 H21 F3 N2 Pd
• Calculated formula: C13 H21 F3 N2 Pd
• SMILES: [Pd]1([N](CC[N]1(C)C)(C)C)(C(F)(F)F)c1ccccc1
• Title of publication: Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls
• Authors of publication: Vladimir V. Grushin; William J. Marshall
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 4632 - 4641
• a: 8.361 ± 0.003 Å
• b: 16.466 ± 0.006 Å
• c: 11.389 ± 0.004 Å
• α: 90°
• β: 110.163 ± 0.005°
• γ: 90°
• Cell volume: 1471.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0193
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No