Information card for entry 4084116

Structure parameters

• Chemical name: [Pd2Cl2(Me)2(1,3-trans-dppcbSe2)]
• Formula: C55 H52 Cl4 P4 Pd2 Se2
• Calculated formula: C55 H52 Cl4 P4 Pd2 Se2
• SMILES: [Pd]1([Se]=P(C2C([P]1(c1ccccc1)c1ccccc1)C1P(=[Se][Pd](Cl)([P](C21)(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)C.ClCCl
• 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: 12.6896 ± 0.0004 Å
• b: 13.2844 ± 0.0004 Å
• c: 18.6285 ± 0.0006 Å
• α: 102.671 ± 0.002°
• β: 93.34 ± 0.002°
• γ: 114.708 ± 0.002°
• Cell volume: 2743.18 ± 0.16 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No