Information card for entry 4087505

Structure parameters

• Common name: jonlm05
• Chemical name: (dippe)Pd(thianthrene)
• Formula: C27.5 H41.5 P2 Pd S2
• Calculated formula: C27.5 H41.5 P2 Pd S2
• 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: 10.8988 ± 0.0009 Å
• b: 15.1108 ± 0.0013 Å
• c: 19.0889 ± 0.0016 Å
• α: 103.038 ± 0.002°
• β: 103.999 ± 0.002°
• γ: 101.001 ± 0.002°
• Cell volume: 2869.9 ± 0.4 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: 0.087
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No