Information card for entry 7033758

Structure parameters

• Formula: C44.52 H30.36 F10 O2 P2 Pd
• Calculated formula: C44.516 H30.36 F10 O2 P2 Pd
• 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: 13.6907 ± 0.001 Å
• b: 11.8192 ± 0.0009 Å
• c: 25.115 ± 0.002 Å
• α: 90°
• β: 92.097 ± 0.002°
• γ: 90°
• Cell volume: 4061.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No