Information card for entry 4084114

Structure parameters

• Chemical name: [Pd2Cl2(Me)2(2,3-trans-dppcbO2)]
• Formula: C55 H52 Cl4 O2.8 P4 Pd2
• Calculated formula: C55 H52 Cl4 O2.8 P4 Pd2
• Title of publication: Linear α-Olefins Obtained with Palladium(II) Complexes Bearing a Partially Oxidized Tetraphosphane
• Authors of publication: Oberhauser, Werner; Manca, Gabriele; Ienco, Andrea; Strabler, Christof; Prock, Johannes; Weninger, Alexander; Gutmann, Rene; Brüggeller, Peter
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 4067
• a: 14.3998 ± 0.0006 Å
• b: 43.289 ± 0.002 Å
• c: 18.0032 ± 0.0007 Å
• α: 90°
• β: 109.046 ± 0.0009°
• γ: 90°
• Cell volume: 10608 ± 0.8 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No