Information card for entry 4118344

Structure parameters

• Formula: C37 H34 Cl2 F6 N2 O10 Pd2
• Calculated formula: C37 H34 Cl2 F6 N2 O10 Pd2
• SMILES: ClCCl.[Pd]1(OC(=O)C)([OH2])(OC(=O)C)([n]2cccc3ccc4cccc1c4c23)C(F)(F)F
• Title of publication: Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage
• Authors of publication: David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 12002 - 12009
• a: 10.0855 ± 0.0011 Å
• b: 14.4631 ± 0.0015 Å
• c: 14.9794 ± 0.0016 Å
• α: 81.313 ± 0.002°
• β: 73.034 ± 0.001°
• γ: 70.432 ± 0.002°
• Cell volume: 1965.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No