Information card for entry 2008742

Structure parameters

• Formula: C28 H20 Pd S4
• Calculated formula: C28 H20 Pd S4
• SMILES: C1(=C(c2ccccc2)S[Pd]2(S1)SC(=C(S2)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Charge-transfer salt of bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladate(1 ‒) with cobaltocenium, and neutral bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladium
• Authors of publication: Sheu, Chou-Fu; Lee, Jung-Si
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1069 - 1072
• a: 5.9472 ± 0.0006 Å
• b: 11.2387 ± 0.001 Å
• c: 18.6239 ± 0.0013 Å
• α: 90°
• β: 91.659 ± 0.007°
• γ: 90°
• Cell volume: 1244.28 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.029
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No