Information card for entry 4105751

Structure parameters

• Formula: C45 H44 O2 P2 Pd2
• Calculated formula: C45 H44 O2 P2 Pd2
• SMILES: [Pd]123([Pd]4([P](c5ccccc5)(c5ccccc5)c5ccccc5)([O]=C(O1)CC(=C)C)C[C]34(C2)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2
• Authors of publication: Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3280 - 3283
• a: 10.6295 ± 0.0008 Å
• b: 14.1773 ± 0.0011 Å
• c: 14.8586 ± 0.0012 Å
• α: 96.988 ± 0.0015°
• β: 106.604 ± 0.0015°
• γ: 105.952 ± 0.0016°
• Cell volume: 2013.9 ± 0.3 ų
• Cell temperature: 223.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No