Information card for entry 4079704

Structure parameters

• Formula: C36 H36 O9 P2 Pd S2
• Calculated formula: C35.984 H35.968 O9 P2 Pd S2
• 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: 18.1536 ± 0.0014 Å
• b: 11.6821 ± 0.0006 Å
• c: 34.931 ± 0.003 Å
• α: 90°
• β: 99.484 ± 0.006°
• γ: 90°
• Cell volume: 7306.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1543
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No