Information card for entry 7025719

Structure parameters

• Common name: (PdClMe(trop))
• Chemical name: [PdClMe(trop)]
• Formula: C28.5 H25 Cl2 P Pd
• Calculated formula: C28.5 H25 Cl2 P 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: 8.907 ± 0.005 Å
• b: 19.718 ± 0.005 Å
• c: 15.161 ± 0.005 Å
• α: 90°
• β: 92.175 ± 0.005°
• γ: 90°
• Cell volume: 2660.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1759
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No