Information card for entry 4081080

Structure parameters

• Formula: C26 H42 P2 Pd2
• Calculated formula: C26 H42 P2 Pd2
• SMILES: [Pd]1234([Pd]56([CH]47C1C=CC67)([CH]12C3c2ccccc2C51)[P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: Synthesis, Electronic Structure, and Reactivity of Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands
• Authors of publication: Chalkley, Matthew J.; Guard, Louise M.; Hazari, Nilay; Hofmann, Peter; Hruszkewycz, Damian P.; Schmeier, Timothy J.; Takase, Michael K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4223
• a: 10.7215 ± 0.0002 Å
• b: 8.8263 ± 0.0002 Å
• c: 28.078 ± 0.002 Å
• α: 90°
• β: 90.708 ± 0.006°
• γ: 90°
• Cell volume: 2656.9 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• 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: 0.0354
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No