Information card for entry 4110542

Structure parameters

• Formula: C27 H51 Cl P2 Pd
• Calculated formula: C27 H51 Cl P2 Pd
• SMILES: [Pd]1(Cl)([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)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: 41.609 ± 0.008 Å
• b: 10.381 ± 0.002 Å
• c: 15.233 ± 0.003 Å
• α: 90°
• β: 104.47 ± 0.03°
• γ: 90°
• Cell volume: 6371 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No