Information card for entry 4130426

Structure parameters

• Formula: C12 H16 Au S8
• Calculated formula: C12 H16 Au S8
• SMILES: C[C@@H]1[C@@H](C)SC2=C(S1)S[Au]1(S2)SC2=C(S1)S[C@@H]([C@@H](C)S2)C
• Title of publication: Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.
• Authors of publication: Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 21
• Pages of publication: 6838 - 6851
• a: 6.957 ± 0.005 Å
• b: 7.938 ± 0.005 Å
• c: 9.378 ± 0.005 Å
• α: 73.394 ± 0.005°
• β: 74.625 ± 0.005°
• γ: 73.189 ± 0.005°
• Cell volume: 465.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No