Information card for entry 7008371

Structure parameters

• Formula: C21 H22 Cl P Pd S
• Calculated formula: C21 H22 Cl P Pd S
• SMILES: [Pd]1(Cl)([S](C)c2ccccc2C[P]1(c1ccccc1)c1ccccc1)C
• Title of publication: Synthesis, structure and catalytic activity of thioether-phosphane complexes of Pd(II) and Pt(II).
• Authors of publication: Dilworth, Jonathan R.; von Beckh W, Carlo A Maresca; Pascu, Sofia I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 12
• Pages of publication: 2151 - 2161
• a: 8.735 ± 0.001 Å
• b: 9.215 ± 0.001 Å
• c: 14.701 ± 0.001 Å
• α: 101.53 ± 0.002°
• β: 97.46 ± 0.002°
• γ: 116.2 ± 0.002°
• Cell volume: 1007.81 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No