Information card for entry 4340714

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)SC2=C(S1)SC(=S)N2CCO.[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: 8.3506 ± 0.0003 Å
• b: 11.922 ± 0.0006 Å
• c: 15.0121 ± 0.0007 Å
• α: 103.813 ± 0.002°
• β: 103.408 ± 0.002°
• γ: 103.106 ± 0.002°
• Cell volume: 1347.33 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No