Information card for entry 4105374

Structure parameters

• Common name: AuEtthiazdt2neutral
• Formula: C10 H10 Au N2 S8
• Calculated formula: C10 H10 Au N2 S8
• SMILES: [Au]12(SC3=C(S1)SC(=S)N3CC)SC1=C(N(C(=S)S1)CC)S2
• Title of publication: A Single-Component Molecular Metal Based on a Thiazole Dithiolate Gold Complex
• Authors of publication: Nadine Tenn; Nathalie Bellec; Olivier Jeannin; Lidia Piekara-Sady; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16961 - 16967
• a: 14.06 ± 0.002 Å
• b: 4.0593 ± 0.0006 Å
• c: 14.259 ± 0.002 Å
• α: 90°
• β: 93.524 ± 0.005°
• γ: 90°
• Cell volume: 812.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No