Information card for entry 4087507

Structure parameters

• Common name: jonlm15
• Chemical name: (dippe)Pd(SPh)2
• Formula: C26 H42 P2 Pd S2
• Calculated formula: C26 H42 P2 Pd S2
• SMILES: [Pd]1(Sc2ccccc2)(Sc2ccccc2)[P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment
• Authors of publication: Munjanja, Lloyd; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1716
• a: 11.082 ± 0.002 Å
• b: 17.162 ± 0.003 Å
• c: 17.593 ± 0.003 Å
• α: 62.304 ± 0.003°
• β: 71.88 ± 0.003°
• γ: 73.051 ± 0.004°
• Cell volume: 2772.4 ± 0.8 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No