Information card for entry 7223840

Structure parameters

• Formula: C8 H14 O2 Pd S4
• Calculated formula: C8 H14 O2 Pd S4
• SMILES: C1(OC(C)C)=[S][Pd]2(S1)[S]=C(OC(C)C)S2
• Title of publication: Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials
• Authors of publication: Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1105
• a: 9.9077 ± 0.0006 Å
• b: 5.872 ± 0.0003 Å
• c: 11.9621 ± 0.0006 Å
• α: 90°
• β: 102.752 ± 0.005°
• γ: 90°
• Cell volume: 678.77 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0313
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No