Information card for entry 4110541

Structure parameters

• Formula: C17 H34 F6 P2 Pd
• Calculated formula: C17 H34 F6 P2 Pd
• SMILES: [P]1([Pd](C(F)(F)F)([P](CCC1)(C(C)C)C(C)C)C(F)(F)F)(C(C)C)C(C)C
• 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: 8.0634 ± 0.0006 Å
• b: 14.7398 ± 0.0012 Å
• c: 19.8663 ± 0.0014 Å
• α: 90°
• β: 110.509 ± 0.003°
• γ: 90°
• Cell volume: 2211.5 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No