Information card for entry 4087508

Structure parameters

• Common name: jonlm10
• Chemical name: (dippe)Pd(SPh)2 / (dippe)Pd(SPh)(C(=O)Ph)
• Formula: C26.88 H40.88 O0.88 P2 Pd S1.12
• Calculated formula: C26.8833 H40.8833 O0.8833 P2 Pd S1.1167
• 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: 15.625 ± 0.002 Å
• b: 16.806 ± 0.002 Å
• c: 20.814 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5465.6 ± 1.2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No