Information card for entry 4340715

Structure parameters

• Formula: C10 H10 Au N2 O2 S8
• Calculated formula: C10 H10 Au N2 O2 S8
• SMILES: [Au]12(SC3=C(S1)SC(=S)N3CCO)SC1=C(N(C(=S)S1)CCO)S2
• 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: 14.2789 ± 0.0009 Å
• b: 4.1546 ± 0.0003 Å
• c: 14.3699 ± 0.0008 Å
• α: 90°
• β: 93.286 ± 0.003°
• γ: 90°
• Cell volume: 851.07 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No