Information card for entry 4083944

Structure parameters

• Formula: C34 H24 Br4 Cl2 N2 P2 Pd
• Calculated formula: C34 H24 Br4 Cl2 N2 P2 Pd
• Title of publication: (Perfluoro)alkylsilyl-Substituted 2-[Bis(4-aryl)phosphino]pyridines: Synthesis and Comparison of Their Palladium Complexes in Methoxycarbonylation of Phenylacetylene in Regular Solvents and Supercritical CO2
• Authors of publication: de Pater, Jeroen. J. M.; Maljaars, C. Elizabeth P.; de Wolf, Elwin; Lutz, Martin; Spek, Anthony L.; Deelman, Berth-Jan; Elsevier, Cornelis J.; van Koten, Gerard
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5299
• a: 13.5697 ± 0.0001 Å
• b: 7.5837 ± 0.0001 Å
• c: 19.732 ± 0.0002 Å
• α: 90°
• β: 117.111 ± 0.0004°
• γ: 90°
• Cell volume: 1807.47 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No