Information card for entry 2207946

Structure parameters

• Chemical name: Bis[2-(phenylsulfanyl)benzenethiolato]palladium(II)
• Formula: C24 H18 Pd S4
• Calculated formula: C24 H18 Pd S4
• SMILES: [S]1(c2ccccc2)[Pd]2(Sc3ccccc13)[S](c1ccccc1S2)c1ccccc1
• Title of publication: Bis[2-(phenylsulfanyl)benzenethiolato]palladium(II)
• Authors of publication: Daisuke Shimizu; Nobuhiro Takeda; Takahiro Sasamori; Norihiro Tokitoh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m166 - m167
• a: 6.291 ± 0.0001 Å
• b: 8.4579 ± 0.0002 Å
• c: 20.478 ± 0.0005 Å
• α: 98.789 ± 0.0013°
• β: 92.7051 ± 0.0014°
• γ: 91.2243 ± 0.0015°
• Cell volume: 1075.16 ± 0.04 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes