Information card for entry 4340713

Structure parameters

• Formula: C18 H30 Au N3 O2 S8
• Calculated formula: C18 H30 Au N3 O2 S8
• SMILES: [Au]12(SC3SC(=S)N(C=3S2)CCO)SC2N(C(=S)SC=2S1)CCO.[N+](CC)(CC)(CC)CC
• Title of publication: Hydrogen-bonding interactions in a single-component molecular conductor: a hydroxyethyl-substituted radical gold dithiolene complex.
• Authors of publication: Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Guizouarn, Thierry; Lorcy, Dominique
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8755 - 8761
• a: 37.486 ± 0.012 Å
• b: 7.659 ± 0.003 Å
• c: 19.413 ± 0.007 Å
• α: 90°
• β: 97.248 ± 0.017°
• γ: 90°
• Cell volume: 5529 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1576
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.2345
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No