Information card for entry 2206243

Structure parameters

• Chemical name: dichloro[1,2-bis(phenylsulfanyl)benzene]palladium
• Formula: C18 H14 Cl2 Pd S2
• Calculated formula: C18 H14 Cl2 Pd S2
• SMILES: c12ccccc1[S](c1ccccc1)[Pd]([S]2c1ccccc1)(Cl)Cl
• Title of publication: [1,2-Bis(phenylsulfanyl)benzene]dichloropalladium(II)
• Authors of publication: Nobuhiro Takeda; Daisuke Shimizu; Takahiro Sasamori; Norihiro Tokitoh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1408 - m1410
• a: 9.9145 ± 0.0014 Å
• b: 10.214 ± 0.002 Å
• c: 10.521 ± 0.002 Å
• α: 76.905 ± 0.01°
• β: 63.051 ± 0.009°
• γ: 67.639 ± 0.01°
• Cell volume: 876.4 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0186
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No