Information card for entry 4081081

Structure parameters

• Formula: C22 H40 P2 Pd2
• Calculated formula: C22 H40 P2 Pd2
• SMILES: [CH]123C4C=CC1[Pd]125([Pd]432([P](CC)(CC)CC)C3[CH]52C1C=C3)[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: 8.28 ± 0.0009 Å
• b: 8.448 ± 0.0009 Å
• c: 9.6821 ± 0.001 Å
• α: 88.232 ± 0.006°
• β: 76.546 ± 0.005°
• γ: 63.36 ± 0.004°
• Cell volume: 586.64 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No