Information card for entry 7008374

Structure parameters

• Formula: C23 H25 Cl2 P Pd S
• Calculated formula: C23 H25 Cl2 P Pd S
• SMILES: [Pd]1(Cl)(Cl)[S](c2c(C[P]1(c1ccccc1)c1ccccc1)cccc2)C(C)(C)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: 12.5554 ± 0.0004 Å
• b: 15.0824 ± 0.0005 Å
• c: 12.7084 ± 0.0004 Å
• α: 90°
• β: 109.723 ± 0.0014°
• γ: 90°
• Cell volume: 2265.35 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections included in the refinement: 0.0337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No