Information card for entry 7033756

Structure parameters

• Formula: C23 H11 F10 O2 P Pd
• Calculated formula: C23 H11 F10 O2 P Pd
• SMILES: [Pd]12(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)[P](c1c2c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1
• Title of publication: Cyclopalladated complexes containing 2-C6R4PPh2 ligands (R = H, F): one-electron electrochemical reduction leading to metal-carbon σ-bond cleavage via palladium(i).
• Authors of publication: Kar, Gopa; Privér, Steven H; Jones, Lathe A.; Guo, Si-Xuan; Torriero, Angel A. J.; Bond, Alan M.; Bennett, Martin A.; Bhargava, Suresh K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3367 - 3377
• a: 11.3594 ± 0.0009 Å
• b: 14.5809 ± 0.0012 Å
• c: 14.5984 ± 0.0012 Å
• α: 75.895 ± 0.002°
• β: 78.581 ± 0.002°
• γ: 82.601 ± 0.002°
• Cell volume: 2290.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No