Information card for entry 7025718

Structure parameters

• Common name: (Pd(CH2CH2COCH3)(trop))(PF6)
• Chemical name: [Pd(CH2CH2COCH3)(trop)](PF6)
• Formula: C34 H31 F6 O P2 Pd
• Calculated formula: C34 H31 F6 O P2 Pd
• Title of publication: Chemoselective methoxycarbonylation of terminal alkynes catalyzed by Pd(II)-TROPP complexes.
• Authors of publication: Bettucci, Lorenzo; Bianchini, Claudio; Oberhauser, Werner; Vogt, Matthias; Grützmacher, Hansjörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 28
• Pages of publication: 6509 - 6517
• a: 17.9962 ± 0.0005 Å
• b: 8.9054 ± 0.0002 Å
• c: 21.4435 ± 0.0005 Å
• α: 90°
• β: 110.763 ± 0.003°
• γ: 90°
• Cell volume: 3213.42 ± 0.15 ų
• Cell temperature: 180.2 ± 0.2 K
• Ambient diffraction temperature: 180.2 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.089
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No