Information card for entry 4086266

Structure parameters

• Common name: jonlm23
• Chemical name: Pd(dippe)(SPh)(Ph)
• Formula: C26 H42 P2 Pd S
• Calculated formula: C26 H42 P2 Pd S
• SMILES: [Pd]1(Sc2ccccc2)([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)c1ccccc1
• Title of publication: Mechanistic Insights in the Exchange of Arylthiolate Groups in Aryl(arylthiolato)palladium Complexes Supported by a Dippe Ligand
• Authors of publication: Munjanja, Lloyd; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4574
• a: 8.434 ± 0.003 Å
• b: 11.375 ± 0.004 Å
• c: 27.611 ± 0.009 Å
• α: 90.138 ± 0.006°
• β: 90.198 ± 0.007°
• γ: 99.772 ± 0.006°
• Cell volume: 2610.4 ± 1.6 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: 0.1204
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No