Information card for entry 4071601

Structure parameters

• Formula: C34 H29 As2 B F9 N Pd
• Calculated formula: C34 H29 As2 B F9 N Pd
• SMILES: [As](C)(c1ccccc1)(c1ccccc1)[Pd]([As](C)(c1ccccc1)c1ccccc1)(c1c(c(c(c(c1F)F)F)F)F)[N]#CC.[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: 10.91 ± 0.008 Å
• b: 11.633 ± 0.009 Å
• c: 16.125 ± 0.012 Å
• α: 98.501 ± 0.013°
• β: 97.285 ± 0.013°
• γ: 116.804 ± 0.012°
• Cell volume: 1763 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No