Information card for entry 2005035

Structure parameters

• Chemical name: Bis[1-hydroxy-2(1H)-pyridinethionato-O,S']palladium(II).
• Formula: C10 H8 N2 O2 Pd S2
• Calculated formula: C10 H8 N2 O2 Pd S2
• SMILES: [Pd]12([O]=n3c(S1)cccc3)Sc1n(=[O]2)cccc1
• Title of publication: Bis[1-hydroxy-2(1<i>H</i>)-pyridinethionato-<i>O</i>,<i>S</i>]palladium(II)
• Authors of publication: Song, B.-L.; Xiong, R.-G.; Wang, H.; Zuo, J.-L.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1403 - 1405
• a: 8.682 ± 0.001 Å
• b: 13.983 ± 0.001 Å
• c: 9.956 ± 0.001 Å
• α: 90°
• β: 96.66 ± 0.01°
• γ: 90°
• Cell volume: 1200.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0288
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for all reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.0687
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No