Information card for entry 4102656

Structure parameters

• Formula: C14 H16 S8
• Calculated formula: C14 H16 S8
• SMILES: S1C(SC2=C1S[C@H]([C@@H](S2)C)C)=C1SC2=C(S1)S[C@H]([C@@H](S2)C)C
• Title of publication: A Chiral Ferromagnetic Molecular Metal
• Authors of publication: José R. Galán-Mascarós; Eugenio Coronado; Paul A. Goddard; John Singleton; Amalia I. Coldea; John D. Wallis; Simon J. Coles; Antonio Alberola
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 9271 - 9273
• a: 5.2508 ± 0.0002 Å
• b: 6.6452 ± 0.0003 Å
• c: 18.5082 ± 0.0009 Å
• α: 84.069 ± 0.002°
• β: 86.195 ± 0.002°
• γ: 69.564 ± 0.003°
• Cell volume: 601.6 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No