Information card for entry 4079705

Structure parameters

• Formula: C35 H49 O5 P2 Pd S
• Calculated formula: C35 H49 O5 P2 Pd S
• Title of publication: Activation and Deactivation of Neutral Palladium(II) Phosphinesulfonato Polymerization Catalysts
• Authors of publication: R Thomas; Tritschler, Ulrich; Roesle, Philipp; Göttker-Schnetmann, Inigo; Müller, Heiko M.; Caporaso, Lucia; Poater, Albert; Cavallo, Luigi; Mecking, Stefan
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8388
• a: 9.5966 ± 0.0008 Å
• b: 12.0664 ± 0.001 Å
• c: 15.6496 ± 0.0014 Å
• α: 92.336 ± 0.007°
• β: 100.896 ± 0.007°
• γ: 96.725 ± 0.007°
• Cell volume: 1763.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No