Information card for entry 4078738

Structure parameters

• Chemical name: [Pd2(allyl)2(dppcb)](PF6)2
• Formula: C59 H54 Cl2 F12 P6 Pd2
• Calculated formula: C59 H54 Cl2 F12 P6 Pd2
• Title of publication: Regioselective Hydromethoxycarbonylation of Terminal Alkynes Catalyzed by Palladium(II)‒Tetraphos Complexes
• Authors of publication: Oberhauser, Werner; Ienco, Andrea; Vizza, Francesco; Trettenbrein, Barbara; Oberhuber, Dennis; Strabler, Christof; Ortner, Teresa; Brüggeller, Peter
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4832
• a: 34.4649 ± 0.0002 Å
• b: 10.3378 ± 0.0003 Å
• c: 24.0599 ± 0.0003 Å
• α: 90°
• β: 131.823 ± 0.0009°
• γ: 90°
• Cell volume: 6388.2 ± 0.2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No