Information card for entry 4086264

Structure parameters

• Common name: jonlm19
• Chemical name: Pd(dippe)(tolyl)(SPh)
• Formula: C27 H44 P2 Pd S
• Calculated formula: C27 H44 P2 Pd S
• SMILES: [Pd]1(Sc2ccccc2)([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)c1ccc(cc1)C
• 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: 12.9434 ± 0.001 Å
• b: 14.8315 ± 0.0012 Å
• c: 14.7678 ± 0.0012 Å
• α: 90°
• β: 98.5348 ± 0.0016°
• γ: 90°
• Cell volume: 2803.6 ± 0.4 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No