Information card for entry 7033759

Structure parameters

• Formula: C36 H22 Br2 F8 P2 Pd
• Calculated formula: C36 H22 Br2 F8 P2 Pd
• SMILES: c1(c(c(c(c(c1)F)F)F)F)[P](c1ccccc1)(c1ccccc1)[Pd](Br)([P](c1c(c(c(c(c1)F)F)F)F)(c1ccccc1)c1ccccc1)Br
• 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: 15.797 ± 0.003 Å
• b: 12.955 ± 0.003 Å
• c: 16.382 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3352.6 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No