Information card for entry 7025201

Structure parameters

• Chemical name: {bis(3,5-dimethylpyrazolyl)methane}-chloro-pentafluorophenyl-palladium(II)
• Formula: C17 H16 Cl F5 N4 Pd
• Calculated formula: C17 H16 Cl F5 N4 Pd
• SMILES: [Pd]1(Cl)(c2c(c(c(c(c2F)F)F)F)F)[n]2n(c(cc2C)C)Cn2[n]1c(cc2C)C
• 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: 7.166 ± 0.0003 Å
• b: 17.2246 ± 0.0006 Å
• c: 15.2372 ± 0.0006 Å
• α: 90°
• β: 96.763 ± 0.001°
• γ: 90°
• Cell volume: 1867.66 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No