Information card for entry 7008373

Structure parameters

• Formula: C21 H21 Cl4 P Pd S
• Calculated formula: C21 H21 Cl4 P Pd S
• SMILES: [Pd]1([P](Cc2c([S]1C)cccc2)(c1ccccc1)c1ccccc1)(Cl)Cl.C(Cl)Cl
• 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: 10.3529 ± 0.0002 Å
• b: 11.5466 ± 0.0002 Å
• c: 19.6892 ± 0.0004 Å
• α: 86.8988 ± 0.0008°
• β: 78.5238 ± 0.0008°
• γ: 87.2643 ± 0.0007°
• Cell volume: 2301.59 ± 0.08 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: 0.0633
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections included in the refinement: 0.0335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0776
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No