Information card for entry 4086268

Structure parameters

• Common name: jonlm26
• Chemical name: Pd(dippe)(Stolyl)2
• Formula: C28 H46 P2 Pd S2
• Calculated formula: C28 H46 P2 Pd S2
• SMILES: c1(ccc(cc1)C)S[Pd]1([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)Sc1ccc(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: 16.9148 ± 0.0019 Å
• b: 8.5457 ± 0.001 Å
• c: 21.427 ± 0.002 Å
• α: 90°
• β: 108.432 ± 0.002°
• γ: 90°
• Cell volume: 2938.4 ± 0.6 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No