Information card for entry 3500059

Structure parameters

• Common name: N-PdSO4
• Formula: O4 Pd S
• Calculated formula: O13 Pd S2
• SMILES: [Pd+2].S(=O)(=O)([O-])[O-]
• Title of publication: Approaching the crystal structure of N-PdSO4 in the monoclinic subcell a/2, b/2, c/2 (see J. Alloys and Compounds 216, 1994, 11-19)
• Authors of publication: Yvon Laligant; Armel Le Bail
• Journal of publication: Personal communication to COD
• Year of publication: 2016
• a: 4.9466 ± 0.001 Å
• b: 4.9481 ± 0.001 Å
• c: 6.1943 ± 0.001 Å
• α: 90°
• β: 92.8096 ± 0.001°
• γ: 90°
• Cell volume: 151.43 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.273
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes