Information card for entry 2008741

Structure parameters

• Formula: C38 H30 Co Pd S4
• Calculated formula: C38 H30 Co Pd S4
• SMILES: C1(=C(S[Pd]2(S1)SC(=C(S2)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[Co]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 26.413 ± 0.004 Å
• b: 9.4429 ± 0.0008 Å
• c: 14.2752 ± 0.0012 Å
• α: 90°
• β: 100.703 ± 0.009°
• γ: 90°
• Cell volume: 3498.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.088
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No