Information card for entry 7025720

Structure parameters

• Common name: (PdCl2(Tropp))
• Chemical name: [PdCl2(Tropp)]
• Formula: C28 H23 Cl3 P Pd
• Calculated formula: C28 H23 Cl3 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: 8.6468 ± 0.0006 Å
• b: 14.0728 ± 0.0008 Å
• c: 20.6612 ± 0.0012 Å
• α: 90°
• β: 95.573 ± 0.006°
• γ: 90°
• Cell volume: 2502.3 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No