Information card for entry 7025200

Structure parameters

• Chemical name: (2,2'-bipyridine)-chloro-pentafluorophenyl-palladium(II)
• Formula: C16 H8 Cl F5 N2 Pd
• Calculated formula: C16 H8 Cl F5 N2 Pd
• SMILES: [Pd]1([n]2ccccc2c2[n]1cccc2)(Cl)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Palladium(II) complexes with pentafluorophenyl ligands: structures, C6F5 fluxionality by 2D-NMR studies and pre-catalysts for the vinyl addition polymerization of norbornene.
• Authors of publication: Blank, Frederik; Scherer, Harald; Ruiz, José; Rodríguez, Venancio; Janiak, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 15
• Pages of publication: 3609 - 3619
• a: 7.0364 ± 0.0003 Å
• b: 16.9602 ± 0.0007 Å
• c: 25.4701 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3039.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No