Information card for entry 4071602

Structure parameters

• Formula: C44 H23 As2 B Cl4 F15 N Pd
• Calculated formula: C44 H23 As2 B Cl4 F15 N Pd
• SMILES: [Pd]([N]#CC)([As](c1c(c(c(c(c1F)Cl)F)Cl)F)(c1ccccc1)c1ccccc1)([As](c1c(c(c(c(c1F)Cl)F)Cl)F)(c1ccccc1)c1ccccc1)c1c(c(c(c(c1F)F)F)F)F.[B](F)(F)(F)[F-]
• Title of publication: Palladium Catalysts for Norbornene Polymerization. A Study by NMR and Calorimetric Methods
• Authors of publication: Casares, Juan A.; Espinet, Pablo; Salas, Gorka
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3761
• a: 14.085 ± 0.003 Å
• b: 13.568 ± 0.003 Å
• c: 25.932 ± 0.006 Å
• α: 90°
• β: 104.72 ± 0.006°
• γ: 90°
• Cell volume: 4793.1 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0825
• 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