Information card for entry 4084115

Structure parameters

• Chemical name: [Pd2Cl2(Me)2(1,3-trans-dppcbS2)]
• Formula: C54 H50 Cl2 P4 Pd2 S2
• Calculated formula: C54 H50 Cl2 P4 Pd2 S2
• SMILES: [Pd]1([S]=P(C2C([P]1(c1ccccc1)c1ccccc1)C1P(=[S][Pd](Cl)([P](C21)(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)C
• 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: 12.9989 ± 0.0004 Å
• b: 16.7551 ± 0.0005 Å
• c: 26.836 ± 0.001 Å
• α: 73.752 ± 0.001°
• β: 81.623 ± 0.002°
• γ: 74.561 ± 0.002°
• Cell volume: 5392.9 ± 0.3 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: 0.0469
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No