Information card for entry 4078939

Structure parameters

• Formula: C26 H40 F3 O6 P Pd S
• Calculated formula: C26 H40 F3 O6 P Pd S
• Title of publication: η3-Furfuryl and η3-Thienyl Complexes of Palladium and Platinum of Relevance to the Functionalization of Biomass-Derived Furans
• Authors of publication: Shi, Yang; Brenner, Peter; Bertsch, Stefanie; Radacki, Krzysztof; Dewhurst, Rian D.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5599
• a: 9.286 ± 0.005 Å
• b: 9.748 ± 0.005 Å
• c: 16.543 ± 0.008 Å
• α: 101.782 ± 0.007°
• β: 96.075 ± 0.008°
• γ: 90.978 ± 0.008°
• Cell volume: 1456.5 ± 1.3 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No